NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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548340 |
2lt7   |
18462 | cing | 1-original | 5 | AMBER | angle |
# angle MET H, 1 N, 1 CA, 1 118.2 +/- 5 &rst iat= 2, 1, 3, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, rk2= 500.0, rk3= 500.0, &end # angle MET N, 1 CA, 1 CB, 1 110.5 +/- 1.7 &rst iat= 1, 3, 5, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle MET N, 1 CA, 1 HA, 1 109.5 +/- 5 &rst iat= 1, 3, 4, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET N, 1 CA, 1 C, 1 111.2 +/- 2.8 &rst iat= 1, 3, 16, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle MET HA, 1 CA, 1 CB, 1 109.5 +/- 5 &rst iat= 4, 3, 5, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET HA, 1 CA, 1 C, 1 109.5 +/- 5 &rst iat= 4, 3, 16, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET CB, 1 CA, 1 C, 1 110.1 +/- 1.9 &rst iat= 5, 3, 16, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle MET CA, 1 C, 1 O, 1 120.8 +/- 1.7 &rst iat= 3, 16, 17, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ALA O, 1 C, 1 N, 2 123.0 +/- 1.6 &rst iat= 17, 16, 18, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ALA CA, 1 C, 1 N, 2 116.2 +/- 2.0 &rst iat= 3, 16, 18, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ALA C, 1 N, 2 CA, 2 121.7 +/- 1.8 &rst iat= 16, 18, 20, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ALA C, 1 N, 2 H, 2 119.5 +/- 5 &rst iat= 16, 18, 19, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ALA H, 2 N, 2 CA, 2 118.2 +/- 5 &rst iat= 19, 18, 20, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ALA N, 2 CA, 2 CB, 2 110.4 +/- 1.5 &rst iat= 18, 20, 22, r1= 108.9, r2= 110.4, r3= 110.4, r4= 111.9, &end # angle ALA N, 2 CA, 2 HA, 2 109.5 +/- 5 &rst iat= 18, 20, 21, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA N, 2 CA, 2 C, 2 111.2 +/- 2.8 &rst iat= 18, 20, 26, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ALA HA, 2 CA, 2 CB, 2 109.5 +/- 5 &rst iat= 21, 20, 22, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA HA, 2 CA, 2 C, 2 109.5 +/- 5 &rst iat= 21, 20, 26, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA CB, 2 CA, 2 C, 2 110.5 +/- 1.5 &rst iat= 22, 20, 26, r1= 109, r2= 110.5, r3= 110.5, r4= 112, &end # angle ALA CA, 2 C, 2 O, 2 120.8 +/- 1.7 &rst iat= 20, 26, 27, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASN O, 2 C, 2 N, 3 123.0 +/- 1.6 &rst iat= 27, 26, 28, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASN CA, 2 C, 2 N, 3 116.2 +/- 2.0 &rst iat= 20, 26, 28, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASN C, 2 N, 3 CA, 3 121.7 +/- 1.8 &rst iat= 26, 28, 30, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASN C, 2 N, 3 H, 3 119.5 +/- 5 &rst iat= 26, 28, 29, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASN H, 3 N, 3 CA, 3 118.2 +/- 5 &rst iat= 29, 28, 30, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASN N, 3 CA, 3 CB, 3 110.5 +/- 1.7 &rst iat= 28, 30, 32, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASN N, 3 CA, 3 HA, 3 109.5 +/- 5 &rst iat= 28, 30, 31, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN N, 3 CA, 3 C, 3 111.2 +/- 2.8 &rst iat= 28, 30, 40, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASN HA, 3 CA, 3 CB, 3 109.5 +/- 5 &rst iat= 31, 30, 32, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN HA, 3 CA, 3 C, 3 109.5 +/- 5 &rst iat= 31, 30, 40, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN CB, 3 CA, 3 C, 3 110.1 +/- 1.9 &rst iat= 32, 30, 40, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASN CA, 3 C, 3 O, 3 120.8 +/- 1.7 &rst iat= 30, 40, 41, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 3 C, 3 N, 4 123.0 +/- 1.6 &rst iat= 41, 40, 42, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 3 C, 3 N, 4 116.2 +/- 2.0 &rst iat= 30, 40, 42, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 3 N, 4 CA, 4 121.7 +/- 1.8 &rst iat= 40, 42, 44, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 3 N, 4 H, 4 119.5 +/- 5 &rst iat= 40, 42, 43, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 4 N, 4 CA, 4 118.2 +/- 5 &rst iat= 43, 42, 44, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 4 CA, 4 CB, 4 110.5 +/- 1.7 &rst iat= 42, 44, 46, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 4 CA, 4 HA, 4 109.5 +/- 5 &rst iat= 42, 44, 45, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 4 CA, 4 C, 4 111.2 +/- 2.8 &rst iat= 42, 44, 62, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 4 CA, 4 CB, 4 109.5 +/- 5 &rst iat= 45, 44, 46, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 4 CA, 4 C, 4 109.5 +/- 5 &rst iat= 45, 44, 62, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 4 CA, 4 C, 4 110.1 +/- 1.9 &rst iat= 46, 44, 62, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 4 C, 4 O, 4 120.8 +/- 1.7 &rst iat= 44, 62, 63, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 4 C, 4 N, 5 123.0 +/- 1.6 &rst iat= 63, 62, 64, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 4 C, 4 N, 5 116.2 +/- 2.0 &rst iat= 44, 62, 64, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 4 N, 5 CA, 5 121.7 +/- 1.8 &rst iat= 62, 64, 66, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 4 N, 5 H, 5 119.5 +/- 5 &rst iat= 62, 64, 65, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 5 N, 5 CA, 5 118.2 +/- 5 &rst iat= 65, 64, 66, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 5 CA, 5 CB, 5 110.5 +/- 1.7 &rst iat= 64, 66, 68, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 5 CA, 5 HA, 5 109.5 +/- 5 &rst iat= 64, 66, 67, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 5 CA, 5 C, 5 111.2 +/- 2.8 &rst iat= 64, 66, 86, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 5 CA, 5 CB, 5 109.5 +/- 5 &rst iat= 67, 66, 68, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 5 CA, 5 C, 5 109.5 +/- 5 &rst iat= 67, 66, 86, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 5 CA, 5 C, 5 110.1 +/- 1.9 &rst iat= 68, 66, 86, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 5 C, 5 O, 5 120.8 +/- 1.7 &rst iat= 66, 86, 87, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle MET O, 5 C, 5 N, 6 123.0 +/- 1.6 &rst iat= 87, 86, 88, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle MET CA, 5 C, 5 N, 6 116.2 +/- 2.0 &rst iat= 66, 86, 88, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle MET C, 5 N, 6 CA, 6 121.7 +/- 1.8 &rst iat= 86, 88, 90, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle MET C, 5 N, 6 H, 6 119.5 +/- 5 &rst iat= 86, 88, 89, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle MET H, 6 N, 6 CA, 6 118.2 +/- 5 &rst iat= 89, 88, 90, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle MET N, 6 CA, 6 CB, 6 110.5 +/- 1.7 &rst iat= 88, 90, 92, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle MET N, 6 CA, 6 HA, 6 109.5 +/- 5 &rst iat= 88, 90, 91, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET N, 6 CA, 6 C, 6 111.2 +/- 2.8 &rst iat= 88, 90, 103, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle MET HA, 6 CA, 6 CB, 6 109.5 +/- 5 &rst iat= 91, 90, 92, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET HA, 6 CA, 6 C, 6 109.5 +/- 5 &rst iat= 91, 90, 103, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET CB, 6 CA, 6 C, 6 110.1 +/- 1.9 &rst iat= 92, 90, 103, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle MET CA, 6 C, 6 O, 6 120.8 +/- 1.7 &rst iat= 90, 103, 104, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 6 C, 6 N, 7 123.0 +/- 1.6 &rst iat= 104, 103, 105, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 6 C, 6 N, 7 116.2 +/- 2.0 &rst iat= 90, 103, 105, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 6 N, 7 CA, 7 121.7 +/- 1.8 &rst iat= 103, 105, 107, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 6 N, 7 H, 7 119.5 +/- 5 &rst iat= 103, 105, 106, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 7 N, 7 CA, 7 118.2 +/- 5 &rst iat= 106, 105, 107, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 7 CA, 7 CB, 7 110.5 +/- 1.7 &rst iat= 105, 107, 109, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 7 CA, 7 HA, 7 109.5 +/- 5 &rst iat= 105, 107, 108, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 7 CA, 7 C, 7 111.2 +/- 2.8 &rst iat= 105, 107, 125, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 7 CA, 7 CB, 7 109.5 +/- 5 &rst iat= 108, 107, 109, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 7 CA, 7 C, 7 109.5 +/- 5 &rst iat= 108, 107, 125, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 7 CA, 7 C, 7 110.1 +/- 1.9 &rst iat= 109, 107, 125, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 7 C, 7 O, 7 120.8 +/- 1.7 &rst iat= 107, 125, 126, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 7 C, 7 N, 8 123.0 +/- 1.6 &rst iat= 126, 125, 127, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 7 C, 7 N, 8 116.2 +/- 2.0 &rst iat= 107, 125, 127, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 7 N, 8 CA, 8 121.7 +/- 1.8 &rst iat= 125, 127, 129, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 7 N, 8 H, 8 119.5 +/- 5 &rst iat= 125, 127, 128, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 8 N, 8 CA, 8 118.2 +/- 5 &rst iat= 128, 127, 129, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 8 CA, 8 CB, 8 110.5 +/- 1.7 &rst iat= 127, 129, 131, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 8 CA, 8 HA, 8 109.5 +/- 5 &rst iat= 127, 129, 130, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 8 CA, 8 C, 8 111.2 +/- 2.8 &rst iat= 127, 129, 141, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 8 CA, 8 CB, 8 109.5 +/- 5 &rst iat= 130, 129, 131, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 8 CA, 8 C, 8 109.5 +/- 5 &rst iat= 130, 129, 141, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 8 CA, 8 C, 8 110.1 +/- 1.9 &rst iat= 131, 129, 141, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 8 C, 8 O, 8 120.8 +/- 1.7 &rst iat= 129, 141, 142, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 8 C, 8 N, 9 123.0 +/- 1.6 &rst iat= 142, 141, 143, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 8 C, 8 N, 9 116.2 +/- 2.0 &rst iat= 129, 141, 143, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 8 N, 9 CA, 9 121.7 +/- 1.8 &rst iat= 141, 143, 145, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 8 N, 9 H, 9 119.5 +/- 5 &rst iat= 141, 143, 144, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 9 N, 9 CA, 9 118.2 +/- 5 &rst iat= 144, 143, 145, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 9 CA, 9 CB, 9 110.5 +/- 1.7 &rst iat= 143, 145, 147, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 9 CA, 9 HA, 9 109.5 +/- 5 &rst iat= 143, 145, 146, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 9 CA, 9 C, 9 111.2 +/- 2.8 &rst iat= 143, 145, 163, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 9 CA, 9 CB, 9 109.5 +/- 5 &rst iat= 146, 145, 147, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 9 CA, 9 C, 9 109.5 +/- 5 &rst iat= 146, 145, 163, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 9 CA, 9 C, 9 110.1 +/- 1.9 &rst iat= 147, 145, 163, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 9 C, 9 O, 9 120.8 +/- 1.7 &rst iat= 145, 163, 164, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HIP O, 9 C, 9 N, 10 123.0 +/- 1.6 &rst iat= 164, 163, 165, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HIP CA, 9 C, 9 N, 10 116.2 +/- 2.0 &rst iat= 145, 163, 165, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HIP C, 9 N, 10 CA, 10 121.7 +/- 1.8 &rst iat= 163, 165, 167, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HIP C, 9 N, 10 H, 10 119.5 +/- 5 &rst iat= 163, 165, 166, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HIP H, 10 N, 10 CA, 10 118.2 +/- 5 &rst iat= 166, 165, 167, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HIP N, 10 CA, 10 CB, 10 110.5 +/- 1.7 &rst iat= 165, 167, 169, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HIP N, 10 CA, 10 HA, 10 109.5 +/- 5 &rst iat= 165, 167, 168, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP N, 10 CA, 10 C, 10 111.2 +/- 2.8 &rst iat= 165, 167, 181, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HIP HA, 10 CA, 10 CB, 10 109.5 +/- 5 &rst iat= 168, 167, 169, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP HA, 10 CA, 10 C, 10 109.5 +/- 5 &rst iat= 168, 167, 181, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP CB, 10 CA, 10 C, 10 110.1 +/- 1.9 &rst iat= 169, 167, 181, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HIP CA, 10 C, 10 O, 10 120.8 +/- 1.7 &rst iat= 167, 181, 182, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASP O, 10 C, 10 N, 11 123.0 +/- 1.6 &rst iat= 182, 181, 183, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 10 C, 10 N, 11 116.2 +/- 2.0 &rst iat= 167, 181, 183, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 10 N, 11 CA, 11 121.7 +/- 1.8 &rst iat= 181, 183, 185, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 10 N, 11 H, 11 119.5 +/- 5 &rst iat= 181, 183, 184, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 11 N, 11 CA, 11 118.2 +/- 5 &rst iat= 184, 183, 185, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 11 CA, 11 CB, 11 110.5 +/- 1.7 &rst iat= 183, 185, 187, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 11 CA, 11 HA, 11 109.5 +/- 5 &rst iat= 183, 185, 186, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 11 CA, 11 C, 11 111.2 +/- 2.8 &rst iat= 183, 185, 193, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 11 CA, 11 CB, 11 109.5 +/- 5 &rst iat= 186, 185, 187, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 11 CA, 11 C, 11 109.5 +/- 5 &rst iat= 186, 185, 193, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 11 CA, 11 C, 11 110.1 +/- 1.9 &rst iat= 187, 185, 193, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 11 C, 11 O, 11 120.8 +/- 1.7 &rst iat= 185, 193, 194, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASP O, 11 C, 11 N, 12 123.0 +/- 1.6 &rst iat= 194, 193, 195, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 11 C, 11 N, 12 116.2 +/- 2.0 &rst iat= 185, 193, 195, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 11 N, 12 CA, 12 121.7 +/- 1.8 &rst iat= 193, 195, 197, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 11 N, 12 H, 12 119.5 +/- 5 &rst iat= 193, 195, 196, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 12 N, 12 CA, 12 118.2 +/- 5 &rst iat= 196, 195, 197, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 12 CA, 12 CB, 12 110.5 +/- 1.7 &rst iat= 195, 197, 199, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 12 CA, 12 HA, 12 109.5 +/- 5 &rst iat= 195, 197, 198, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 12 CA, 12 C, 12 111.2 +/- 2.8 &rst iat= 195, 197, 205, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 12 CA, 12 CB, 12 109.5 +/- 5 &rst iat= 198, 197, 199, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 12 CA, 12 C, 12 109.5 +/- 5 &rst iat= 198, 197, 205, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 12 CA, 12 C, 12 110.1 +/- 1.9 &rst iat= 199, 197, 205, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 12 C, 12 O, 12 120.8 +/- 1.7 &rst iat= 197, 205, 206, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HIP O, 12 C, 12 N, 13 123.0 +/- 1.6 &rst iat= 206, 205, 207, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HIP CA, 12 C, 12 N, 13 116.2 +/- 2.0 &rst iat= 197, 205, 207, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HIP C, 12 N, 13 CA, 13 121.7 +/- 1.8 &rst iat= 205, 207, 209, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HIP C, 12 N, 13 H, 13 119.5 +/- 5 &rst iat= 205, 207, 208, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HIP H, 13 N, 13 CA, 13 118.2 +/- 5 &rst iat= 208, 207, 209, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HIP N, 13 CA, 13 CB, 13 110.5 +/- 1.7 &rst iat= 207, 209, 211, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HIP N, 13 CA, 13 HA, 13 109.5 +/- 5 &rst iat= 207, 209, 210, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP N, 13 CA, 13 C, 13 111.2 +/- 2.8 &rst iat= 207, 209, 223, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HIP HA, 13 CA, 13 CB, 13 109.5 +/- 5 &rst iat= 210, 209, 211, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP HA, 13 CA, 13 C, 13 109.5 +/- 5 &rst iat= 210, 209, 223, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP CB, 13 CA, 13 C, 13 110.1 +/- 1.9 &rst iat= 211, 209, 223, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HIP CA, 13 C, 13 O, 13 120.8 +/- 1.7 &rst iat= 209, 223, 224, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 13 C, 13 N, 14 123.0 +/- 1.6 &rst iat= 224, 223, 225, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 13 C, 13 N, 14 116.2 +/- 2.0 &rst iat= 209, 223, 225, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 13 N, 14 CA, 14 121.7 +/- 1.8 &rst iat= 223, 225, 227, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 13 N, 14 H, 14 119.5 +/- 5 &rst iat= 223, 225, 226, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 14 N, 14 CA, 14 118.2 +/- 5 &rst iat= 226, 225, 227, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 14 CA, 14 CB, 14 110.5 +/- 1.7 &rst iat= 225, 227, 229, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 14 CA, 14 HA, 14 109.5 +/- 5 &rst iat= 225, 227, 228, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 14 CA, 14 C, 14 111.2 +/- 2.8 &rst iat= 225, 227, 244, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 14 CA, 14 CB, 14 109.5 +/- 5 &rst iat= 228, 227, 229, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 14 CA, 14 C, 14 109.5 +/- 5 &rst iat= 228, 227, 244, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 14 CA, 14 C, 14 110.1 +/- 1.9 &rst iat= 229, 227, 244, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 14 C, 14 O, 14 120.8 +/- 1.7 &rst iat= 227, 244, 245, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLU O, 14 C, 14 N, 15 123.0 +/- 1.6 &rst iat= 245, 244, 246, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 14 C, 14 N, 15 116.2 +/- 2.0 &rst iat= 227, 244, 246, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 14 N, 15 CA, 15 121.7 +/- 1.8 &rst iat= 244, 246, 248, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 14 N, 15 H, 15 119.5 +/- 5 &rst iat= 244, 246, 247, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 15 N, 15 CA, 15 118.2 +/- 5 &rst iat= 247, 246, 248, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 15 CA, 15 CB, 15 110.5 +/- 1.7 &rst iat= 246, 248, 250, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 15 CA, 15 HA, 15 109.5 +/- 5 &rst iat= 246, 248, 249, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 15 CA, 15 C, 15 111.2 +/- 2.8 &rst iat= 246, 248, 259, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 15 CA, 15 CB, 15 109.5 +/- 5 &rst iat= 249, 248, 250, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 15 CA, 15 C, 15 109.5 +/- 5 &rst iat= 249, 248, 259, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 15 CA, 15 C, 15 110.1 +/- 1.9 &rst iat= 250, 248, 259, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 15 C, 15 O, 15 120.8 +/- 1.7 &rst iat= 248, 259, 260, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 15 C, 15 N, 16 123.0 +/- 1.6 &rst iat= 260, 259, 261, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 15 C, 15 N, 16 116.2 +/- 2.0 &rst iat= 248, 259, 261, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 15 N, 16 CA, 16 121.7 +/- 1.8 &rst iat= 259, 261, 263, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 15 N, 16 H, 16 119.5 +/- 5 &rst iat= 259, 261, 262, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 16 N, 16 CA, 16 118.2 +/- 5 &rst iat= 262, 261, 263, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 16 CA, 16 CB, 16 110.5 +/- 1.7 &rst iat= 261, 263, 265, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 16 CA, 16 HA, 16 109.5 +/- 5 &rst iat= 261, 263, 264, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 16 CA, 16 C, 16 111.2 +/- 2.8 &rst iat= 261, 263, 278, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 16 CA, 16 CB, 16 109.5 +/- 5 &rst iat= 264, 263, 265, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 16 CA, 16 C, 16 109.5 +/- 5 &rst iat= 264, 263, 278, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 16 CA, 16 C, 16 110.1 +/- 1.9 &rst iat= 265, 263, 278, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 16 C, 16 O, 16 120.8 +/- 1.7 &rst iat= 263, 278, 279, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 16 C, 16 N, 17 123.0 +/- 1.6 &rst iat= 279, 278, 280, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 16 C, 16 N, 17 116.2 +/- 2.0 &rst iat= 263, 278, 280, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 16 N, 17 CA, 17 121.7 +/- 1.8 &rst iat= 278, 280, 282, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 16 N, 17 H, 17 119.5 +/- 5 &rst iat= 278, 280, 281, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 17 N, 17 CA, 17 118.2 +/- 5 &rst iat= 281, 280, 282, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 17 CA, 17 CB, 17 110.5 +/- 1.7 &rst iat= 280, 282, 284, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 17 CA, 17 HA, 17 109.5 +/- 5 &rst iat= 280, 282, 283, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 17 CA, 17 C, 17 111.2 +/- 2.8 &rst iat= 280, 282, 297, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 17 CA, 17 CB, 17 109.5 +/- 5 &rst iat= 283, 282, 284, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 17 CA, 17 C, 17 109.5 +/- 5 &rst iat= 283, 282, 297, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 17 CA, 17 C, 17 110.1 +/- 1.9 &rst iat= 284, 282, 297, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 17 C, 17 O, 17 120.8 +/- 1.7 &rst iat= 282, 297, 298, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 17 C, 17 N, 18 123.0 +/- 1.6 &rst iat= 298, 297, 299, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 17 C, 17 N, 18 116.2 +/- 2.0 &rst iat= 282, 297, 299, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 17 N, 18 CA, 18 121.7 +/- 1.8 &rst iat= 297, 299, 301, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 17 N, 18 H, 18 119.5 +/- 5 &rst iat= 297, 299, 300, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 18 N, 18 CA, 18 118.2 +/- 5 &rst iat= 300, 299, 301, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 18 CA, 18 CB, 18 110.5 +/- 1.7 &rst iat= 299, 301, 303, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 18 CA, 18 HA, 18 109.5 +/- 5 &rst iat= 299, 301, 302, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 18 CA, 18 C, 18 111.2 +/- 2.8 &rst iat= 299, 301, 313, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 18 CA, 18 CB, 18 109.5 +/- 5 &rst iat= 302, 301, 303, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 18 CA, 18 C, 18 109.5 +/- 5 &rst iat= 302, 301, 313, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 18 CA, 18 C, 18 110.1 +/- 1.9 &rst iat= 303, 301, 313, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 18 C, 18 O, 18 120.8 +/- 1.7 &rst iat= 301, 313, 314, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASP O, 18 C, 18 N, 19 123.0 +/- 1.6 &rst iat= 314, 313, 315, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 18 C, 18 N, 19 116.2 +/- 2.0 &rst iat= 301, 313, 315, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 18 N, 19 CA, 19 121.7 +/- 1.8 &rst iat= 313, 315, 317, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 18 N, 19 H, 19 119.5 +/- 5 &rst iat= 313, 315, 316, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 19 N, 19 CA, 19 118.2 +/- 5 &rst iat= 316, 315, 317, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 19 CA, 19 CB, 19 110.5 +/- 1.7 &rst iat= 315, 317, 319, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 19 CA, 19 HA, 19 109.5 +/- 5 &rst iat= 315, 317, 318, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 19 CA, 19 C, 19 111.2 +/- 2.8 &rst iat= 315, 317, 325, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 19 CA, 19 CB, 19 109.5 +/- 5 &rst iat= 318, 317, 319, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 19 CA, 19 C, 19 109.5 +/- 5 &rst iat= 318, 317, 325, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 19 CA, 19 C, 19 110.1 +/- 1.9 &rst iat= 319, 317, 325, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 19 C, 19 O, 19 120.8 +/- 1.7 &rst iat= 317, 325, 326, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLY O, 19 C, 19 N, 20 123.0 +/- 1.6 &rst iat= 326, 325, 327, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLY CA, 19 C, 19 N, 20 116.2 +/- 2.0 &rst iat= 317, 325, 327, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLY C, 19 N, 20 CA, 20 120.6 +/- 1.7 &rst iat= 325, 327, 329, r1= 118.9, r2= 120.6, r3= 120.6, r4= 122.3, &end # angle GLY C, 19 N, 20 H, 20 119.5 +/- 5 &rst iat= 325, 327, 328, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLY H, 20 N, 20 CA, 20 118.2 +/- 5 &rst iat= 328, 327, 329, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLY N, 20 CA, 20 HA2, 20 109.5 +/- 5 &rst iat= 327, 329, 330, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 20 CA, 20 HA3, 20 109.5 +/- 5 &rst iat= 327, 329, 331, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 20 CA, 20 C, 20 112.5 +/- 2.9 &rst iat= 327, 329, 332, r1= 109.6, r2= 112.5, r3= 112.5, r4= 115.4, &end # angle GLY HA2, 20 CA, 20 HA3, 20 109.5 +/- 5 &rst iat= 330, 329, 331, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA2, 20 CA, 20 C, 20 109.5 +/- 5 &rst iat= 330, 329, 332, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA3, 20 CA, 20 C, 20 109.5 +/- 5 &rst iat= 331, 329, 332, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY CA, 20 C, 20 O, 20 120.8 +/- 2.1 &rst iat= 329, 332, 333, r1= 118.7, r2= 120.8, r3= 120.8, r4= 122.9, &end # angle ARG O, 20 C, 20 N, 21 123.0 +/- 1.6 &rst iat= 333, 332, 334, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 20 C, 20 N, 21 116.2 +/- 2.0 &rst iat= 329, 332, 334, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 20 N, 21 CA, 21 121.7 +/- 1.8 &rst iat= 332, 334, 336, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 20 N, 21 H, 21 119.5 +/- 5 &rst iat= 332, 334, 335, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 21 N, 21 CA, 21 118.2 +/- 5 &rst iat= 335, 334, 336, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 21 CA, 21 CB, 21 110.5 +/- 1.7 &rst iat= 334, 336, 338, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 21 CA, 21 HA, 21 109.5 +/- 5 &rst iat= 334, 336, 337, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 21 CA, 21 C, 21 111.2 +/- 2.8 &rst iat= 334, 336, 356, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 21 CA, 21 CB, 21 109.5 +/- 5 &rst iat= 337, 336, 338, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 21 CA, 21 C, 21 109.5 +/- 5 &rst iat= 337, 336, 356, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 21 CA, 21 C, 21 110.1 +/- 1.9 &rst iat= 338, 336, 356, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 21 C, 21 O, 21 120.8 +/- 1.7 &rst iat= 336, 356, 357, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 21 C, 21 N, 22 123.0 +/- 1.6 &rst iat= 357, 356, 358, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 21 C, 21 N, 22 116.2 +/- 2.0 &rst iat= 336, 356, 358, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 21 N, 22 CA, 22 121.7 +/- 1.8 &rst iat= 356, 358, 360, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 21 N, 22 H, 22 119.5 +/- 5 &rst iat= 356, 358, 359, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 22 N, 22 CA, 22 118.2 +/- 5 &rst iat= 359, 358, 360, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 22 CA, 22 CB, 22 110.5 +/- 1.7 &rst iat= 358, 360, 362, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 22 CA, 22 HA, 22 109.5 +/- 5 &rst iat= 358, 360, 361, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 22 CA, 22 C, 22 111.2 +/- 2.8 &rst iat= 358, 360, 372, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 22 CA, 22 CB, 22 109.5 +/- 5 &rst iat= 361, 360, 362, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 22 CA, 22 C, 22 109.5 +/- 5 &rst iat= 361, 360, 372, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 22 CA, 22 C, 22 110.1 +/- 1.9 &rst iat= 362, 360, 372, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 22 C, 22 O, 22 120.8 +/- 1.7 &rst iat= 360, 372, 373, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 22 C, 22 N, 23 123.0 +/- 1.6 &rst iat= 373, 372, 374, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 22 C, 22 N, 23 116.2 +/- 2.0 &rst iat= 360, 372, 374, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 22 N, 23 CA, 23 121.7 +/- 1.8 &rst iat= 372, 374, 376, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 22 N, 23 H, 23 119.5 +/- 5 &rst iat= 372, 374, 375, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 23 N, 23 CA, 23 118.2 +/- 5 &rst iat= 375, 374, 376, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 23 CA, 23 CB, 23 110.5 +/- 1.7 &rst iat= 374, 376, 378, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 23 CA, 23 HA, 23 109.5 +/- 5 &rst iat= 374, 376, 377, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 23 CA, 23 C, 23 111.2 +/- 2.8 &rst iat= 374, 376, 393, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 23 CA, 23 CB, 23 109.5 +/- 5 &rst iat= 377, 376, 378, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 23 CA, 23 C, 23 109.5 +/- 5 &rst iat= 377, 376, 393, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 23 CA, 23 C, 23 110.1 +/- 1.9 &rst iat= 378, 376, 393, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 23 C, 23 O, 23 120.8 +/- 1.7 &rst iat= 376, 393, 394, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 23 C, 23 N, 24 123.0 +/- 1.6 &rst iat= 394, 393, 395, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 23 C, 23 N, 24 116.2 +/- 2.0 &rst iat= 376, 393, 395, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 23 N, 24 CA, 24 121.7 +/- 1.8 &rst iat= 393, 395, 397, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 23 N, 24 H, 24 119.5 +/- 5 &rst iat= 393, 395, 396, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 24 N, 24 CA, 24 118.2 +/- 5 &rst iat= 396, 395, 397, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 24 CA, 24 CB, 24 110.5 +/- 1.7 &rst iat= 395, 397, 399, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 24 CA, 24 HA, 24 109.5 +/- 5 &rst iat= 395, 397, 398, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 24 CA, 24 C, 24 111.2 +/- 2.8 &rst iat= 395, 397, 414, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 24 CA, 24 CB, 24 109.5 +/- 5 &rst iat= 398, 397, 399, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 24 CA, 24 C, 24 109.5 +/- 5 &rst iat= 398, 397, 414, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 24 CA, 24 C, 24 110.1 +/- 1.9 &rst iat= 399, 397, 414, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 24 C, 24 O, 24 120.8 +/- 1.7 &rst iat= 397, 414, 415, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 24 C, 24 N, 25 123.0 +/- 1.6 &rst iat= 415, 414, 416, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 24 C, 24 N, 25 116.2 +/- 2.0 &rst iat= 397, 414, 416, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 24 N, 25 CA, 25 121.7 +/- 1.8 &rst iat= 414, 416, 418, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 24 N, 25 H, 25 119.5 +/- 5 &rst iat= 414, 416, 417, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 25 N, 25 CA, 25 118.2 +/- 5 &rst iat= 417, 416, 418, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 25 CA, 25 CB, 25 110.5 +/- 1.7 &rst iat= 416, 418, 420, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 25 CA, 25 HA, 25 109.5 +/- 5 &rst iat= 416, 418, 419, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 25 CA, 25 C, 25 111.2 +/- 2.8 &rst iat= 416, 418, 433, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 25 CA, 25 CB, 25 109.5 +/- 5 &rst iat= 419, 418, 420, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 25 CA, 25 C, 25 109.5 +/- 5 &rst iat= 419, 418, 433, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 25 CA, 25 C, 25 110.1 +/- 1.9 &rst iat= 420, 418, 433, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 25 C, 25 O, 25 120.8 +/- 1.7 &rst iat= 418, 433, 434, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 25 C, 25 N, 26 123.0 +/- 1.6 &rst iat= 434, 433, 435, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 25 C, 25 N, 26 116.2 +/- 2.0 &rst iat= 418, 433, 435, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 25 N, 26 CA, 26 121.7 +/- 1.8 &rst iat= 433, 435, 437, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 25 N, 26 H, 26 119.5 +/- 5 &rst iat= 433, 435, 436, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 26 N, 26 CA, 26 118.2 +/- 5 &rst iat= 436, 435, 437, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 26 CA, 26 CB, 26 110.5 +/- 1.7 &rst iat= 435, 437, 439, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 26 CA, 26 HA, 26 109.5 +/- 5 &rst iat= 435, 437, 438, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 26 CA, 26 C, 26 111.2 +/- 2.8 &rst iat= 435, 437, 443, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 26 CA, 26 CB, 26 109.5 +/- 5 &rst iat= 438, 437, 439, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 26 CA, 26 C, 26 109.5 +/- 5 &rst iat= 438, 437, 443, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 26 CA, 26 C, 26 110.1 +/- 1.9 &rst iat= 439, 437, 443, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 26 C, 26 O, 26 120.8 +/- 1.7 &rst iat= 437, 443, 444, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 26 C, 26 N, 27 123.0 +/- 1.6 &rst iat= 444, 443, 445, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 26 C, 26 N, 27 116.2 +/- 2.0 &rst iat= 437, 443, 445, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 26 N, 27 CA, 27 121.7 +/- 1.8 &rst iat= 443, 445, 447, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 26 N, 27 H, 27 119.5 +/- 5 &rst iat= 443, 445, 446, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 27 N, 27 CA, 27 118.2 +/- 5 &rst iat= 446, 445, 447, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 27 CA, 27 CB, 27 110.5 +/- 1.7 &rst iat= 445, 447, 449, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 27 CA, 27 HA, 27 109.5 +/- 5 &rst iat= 445, 447, 448, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 27 CA, 27 C, 27 111.2 +/- 2.8 &rst iat= 445, 447, 462, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 27 CA, 27 CB, 27 109.5 +/- 5 &rst iat= 448, 447, 449, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 27 CA, 27 C, 27 109.5 +/- 5 &rst iat= 448, 447, 462, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 27 CA, 27 C, 27 110.1 +/- 1.9 &rst iat= 449, 447, 462, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 27 C, 27 O, 27 120.8 +/- 1.7 &rst iat= 447, 462, 463, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 27 C, 27 N, 28 123.0 +/- 1.6 &rst iat= 463, 462, 464, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 27 C, 27 N, 28 116.2 +/- 2.0 &rst iat= 447, 462, 464, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 27 N, 28 CA, 28 121.7 +/- 1.8 &rst iat= 462, 464, 466, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 27 N, 28 H, 28 119.5 +/- 5 &rst iat= 462, 464, 465, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 28 N, 28 CA, 28 118.2 +/- 5 &rst iat= 465, 464, 466, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 28 CA, 28 CB, 28 110.5 +/- 1.7 &rst iat= 464, 466, 468, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 28 CA, 28 HA, 28 109.5 +/- 5 &rst iat= 464, 466, 467, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 28 CA, 28 C, 28 111.2 +/- 2.8 &rst iat= 464, 466, 478, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 28 CA, 28 CB, 28 109.5 +/- 5 &rst iat= 467, 466, 468, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 28 CA, 28 C, 28 109.5 +/- 5 &rst iat= 467, 466, 478, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 28 CA, 28 C, 28 110.1 +/- 1.9 &rst iat= 468, 466, 478, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 28 C, 28 O, 28 120.8 +/- 1.7 &rst iat= 466, 478, 479, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 28 C, 28 N, 29 123.0 +/- 1.6 &rst iat= 479, 478, 480, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 28 C, 28 N, 29 116.2 +/- 2.0 &rst iat= 466, 478, 480, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 28 N, 29 CA, 29 121.7 +/- 1.8 &rst iat= 478, 480, 482, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 28 N, 29 H, 29 119.5 +/- 5 &rst iat= 478, 480, 481, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 29 N, 29 CA, 29 118.2 +/- 5 &rst iat= 481, 480, 482, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 29 CA, 29 CB, 29 110.5 +/- 1.7 &rst iat= 480, 482, 484, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 29 CA, 29 HA, 29 109.5 +/- 5 &rst iat= 480, 482, 483, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 29 CA, 29 C, 29 111.2 +/- 2.8 &rst iat= 480, 482, 488, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 29 CA, 29 CB, 29 109.5 +/- 5 &rst iat= 483, 482, 484, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 29 CA, 29 C, 29 109.5 +/- 5 &rst iat= 483, 482, 488, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 29 CA, 29 C, 29 110.1 +/- 1.9 &rst iat= 484, 482, 488, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 29 C, 29 O, 29 120.8 +/- 1.7 &rst iat= 482, 488, 489, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 29 C, 29 N, 30 123.0 +/- 1.6 &rst iat= 489, 488, 490, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 29 C, 29 N, 30 116.2 +/- 2.0 &rst iat= 482, 488, 490, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 29 N, 30 CA, 30 121.7 +/- 1.8 &rst iat= 488, 490, 492, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 29 N, 30 H, 30 119.5 +/- 5 &rst iat= 488, 490, 491, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 30 N, 30 CA, 30 118.2 +/- 5 &rst iat= 491, 490, 492, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 30 CA, 30 CB, 30 110.5 +/- 1.7 &rst iat= 490, 492, 494, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 30 CA, 30 HA, 30 109.5 +/- 5 &rst iat= 490, 492, 493, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 30 CA, 30 C, 30 111.2 +/- 2.8 &rst iat= 490, 492, 510, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 30 CA, 30 CB, 30 109.5 +/- 5 &rst iat= 493, 492, 494, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 30 CA, 30 C, 30 109.5 +/- 5 &rst iat= 493, 492, 510, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 30 CA, 30 C, 30 110.1 +/- 1.9 &rst iat= 494, 492, 510, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 30 C, 30 O, 30 120.8 +/- 1.7 &rst iat= 492, 510, 511, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 30 C, 30 N, 31 123.0 +/- 1.6 &rst iat= 511, 510, 512, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 30 C, 30 N, 31 116.2 +/- 2.0 &rst iat= 492, 510, 512, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 30 N, 31 CA, 31 121.7 +/- 1.8 &rst iat= 510, 512, 514, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 30 N, 31 H, 31 119.5 +/- 5 &rst iat= 510, 512, 513, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 31 N, 31 CA, 31 118.2 +/- 5 &rst iat= 513, 512, 514, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 31 CA, 31 CB, 31 110.5 +/- 1.7 &rst iat= 512, 514, 516, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 31 CA, 31 HA, 31 109.5 +/- 5 &rst iat= 512, 514, 515, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 31 CA, 31 C, 31 111.2 +/- 2.8 &rst iat= 512, 514, 534, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 31 CA, 31 CB, 31 109.5 +/- 5 &rst iat= 515, 514, 516, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 31 CA, 31 C, 31 109.5 +/- 5 &rst iat= 515, 514, 534, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 31 CA, 31 C, 31 110.1 +/- 1.9 &rst iat= 516, 514, 534, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 31 C, 31 O, 31 120.8 +/- 1.7 &rst iat= 514, 534, 535, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 31 C, 31 N, 32 123.0 +/- 1.6 &rst iat= 535, 534, 536, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 31 C, 31 N, 32 116.2 +/- 2.0 &rst iat= 514, 534, 536, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 31 N, 32 CA, 32 121.7 +/- 1.8 &rst iat= 534, 536, 538, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 31 N, 32 H, 32 119.5 +/- 5 &rst iat= 534, 536, 537, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 32 N, 32 CA, 32 118.2 +/- 5 &rst iat= 537, 536, 538, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 32 CA, 32 CB, 32 110.5 +/- 1.7 &rst iat= 536, 538, 540, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 32 CA, 32 HA, 32 109.5 +/- 5 &rst iat= 536, 538, 539, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 32 CA, 32 C, 32 111.2 +/- 2.8 &rst iat= 536, 538, 545, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 32 CA, 32 CB, 32 109.5 +/- 5 &rst iat= 539, 538, 540, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 32 CA, 32 C, 32 109.5 +/- 5 &rst iat= 539, 538, 545, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 32 CA, 32 C, 32 110.1 +/- 1.9 &rst iat= 540, 538, 545, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 32 C, 32 O, 32 120.8 +/- 1.7 &rst iat= 538, 545, 546, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 32 C, 32 N, 33 123.0 +/- 1.6 &rst iat= 546, 545, 547, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 32 C, 32 N, 33 116.2 +/- 2.0 &rst iat= 538, 545, 547, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 32 N, 33 CA, 33 121.7 +/- 1.8 &rst iat= 545, 547, 549, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 32 N, 33 H, 33 119.5 +/- 5 &rst iat= 545, 547, 548, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 33 N, 33 CA, 33 118.2 +/- 5 &rst iat= 548, 547, 549, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 33 CA, 33 CB, 33 110.5 +/- 1.7 &rst iat= 547, 549, 551, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 33 CA, 33 HA, 33 109.5 +/- 5 &rst iat= 547, 549, 550, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 33 CA, 33 C, 33 111.2 +/- 2.8 &rst iat= 547, 549, 566, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 33 CA, 33 CB, 33 109.5 +/- 5 &rst iat= 550, 549, 551, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 33 CA, 33 C, 33 109.5 +/- 5 &rst iat= 550, 549, 566, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 33 CA, 33 C, 33 110.1 +/- 1.9 &rst iat= 551, 549, 566, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 33 C, 33 O, 33 120.8 +/- 1.7 &rst iat= 549, 566, 567, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 33 C, 33 N, 34 123.0 +/- 1.6 &rst iat= 567, 566, 568, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 33 C, 33 N, 34 116.2 +/- 2.0 &rst iat= 549, 566, 568, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 33 N, 34 CA, 34 121.7 +/- 1.8 &rst iat= 566, 568, 570, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 33 N, 34 H, 34 119.5 +/- 5 &rst iat= 566, 568, 569, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 34 N, 34 CA, 34 118.2 +/- 5 &rst iat= 569, 568, 570, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 34 CA, 34 CB, 34 110.5 +/- 1.7 &rst iat= 568, 570, 572, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 34 CA, 34 HA, 34 109.5 +/- 5 &rst iat= 568, 570, 571, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 34 CA, 34 C, 34 111.2 +/- 2.8 &rst iat= 568, 570, 582, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 34 CA, 34 CB, 34 109.5 +/- 5 &rst iat= 571, 570, 572, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 34 CA, 34 C, 34 109.5 +/- 5 &rst iat= 571, 570, 582, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 34 CA, 34 C, 34 110.1 +/- 1.9 &rst iat= 572, 570, 582, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 34 C, 34 O, 34 120.8 +/- 1.7 &rst iat= 570, 582, 583, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYS O, 34 C, 34 N, 35 123.0 +/- 1.6 &rst iat= 583, 582, 584, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYS CA, 34 C, 34 N, 35 116.2 +/- 2.0 &rst iat= 570, 582, 584, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYS C, 34 N, 35 CA, 35 121.7 +/- 1.8 &rst iat= 582, 584, 586, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYS C, 34 N, 35 H, 35 119.5 +/- 5 &rst iat= 582, 584, 585, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYS H, 35 N, 35 CA, 35 118.2 +/- 5 &rst iat= 585, 584, 586, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYS N, 35 CA, 35 CB, 35 110.5 +/- 1.7 &rst iat= 584, 586, 588, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYS N, 35 CA, 35 HA, 35 109.5 +/- 5 &rst iat= 584, 586, 587, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS N, 35 CA, 35 C, 35 111.2 +/- 2.8 &rst iat= 584, 586, 593, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYS HA, 35 CA, 35 CB, 35 109.5 +/- 5 &rst iat= 587, 586, 588, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS HA, 35 CA, 35 C, 35 109.5 +/- 5 &rst iat= 587, 586, 593, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS CB, 35 CA, 35 C, 35 110.1 +/- 1.9 &rst iat= 588, 586, 593, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYS CA, 35 C, 35 O, 35 120.8 +/- 1.7 &rst iat= 586, 593, 594, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 35 C, 35 N, 36 123.0 +/- 1.6 &rst iat= 594, 593, 595, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 35 C, 35 N, 36 116.2 +/- 2.0 &rst iat= 586, 593, 595, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 35 N, 36 CA, 36 121.7 +/- 1.8 &rst iat= 593, 595, 597, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 35 N, 36 H, 36 119.5 +/- 5 &rst iat= 593, 595, 596, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 36 N, 36 CA, 36 118.2 +/- 5 &rst iat= 596, 595, 597, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 36 CA, 36 CB, 36 110.5 +/- 1.7 &rst iat= 595, 597, 599, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 36 CA, 36 HA, 36 109.5 +/- 5 &rst iat= 595, 597, 598, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 36 CA, 36 C, 36 111.2 +/- 2.8 &rst iat= 595, 597, 612, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 36 CA, 36 CB, 36 109.5 +/- 5 &rst iat= 598, 597, 599, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 36 CA, 36 C, 36 109.5 +/- 5 &rst iat= 598, 597, 612, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 36 CA, 36 C, 36 110.1 +/- 1.9 &rst iat= 599, 597, 612, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 36 C, 36 O, 36 120.8 +/- 1.7 &rst iat= 597, 612, 613, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle THR O, 36 C, 36 N, 37 123.0 +/- 1.6 &rst iat= 613, 612, 614, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle THR CA, 36 C, 36 N, 37 116.2 +/- 2.0 &rst iat= 597, 612, 614, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle THR C, 36 N, 37 CA, 37 121.7 +/- 1.8 &rst iat= 612, 614, 616, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle THR C, 36 N, 37 H, 37 119.5 +/- 5 &rst iat= 612, 614, 615, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle THR H, 37 N, 37 CA, 37 118.2 +/- 5 &rst iat= 615, 614, 616, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle THR N, 37 CA, 37 CB, 37 111.5 +/- 1.7 &rst iat= 614, 616, 618, r1= 109.8, r2= 111.5, r3= 111.5, r4= 113.2, &end # angle THR N, 37 CA, 37 HA, 37 109.5 +/- 5 &rst iat= 614, 616, 617, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR N, 37 CA, 37 C, 37 111.2 +/- 2.8 &rst iat= 614, 616, 626, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle THR HA, 37 CA, 37 CB, 37 109.5 +/- 5 &rst iat= 617, 616, 618, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR HA, 37 CA, 37 C, 37 109.5 +/- 5 &rst iat= 617, 616, 626, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR CB, 37 CA, 37 C, 37 109.1 +/- 2.2 &rst iat= 618, 616, 626, r1= 106.9, r2= 109.1, r3= 109.1, r4= 111.3, &end # angle THR CA, 37 C, 37 O, 37 120.8 +/- 1.7 &rst iat= 616, 626, 627, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 37 C, 37 N, 38 123.0 +/- 1.6 &rst iat= 627, 626, 628, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 37 C, 37 N, 38 116.2 +/- 2.0 &rst iat= 616, 626, 628, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 37 N, 38 CA, 38 121.7 +/- 1.8 &rst iat= 626, 628, 630, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 37 N, 38 H, 38 119.5 +/- 5 &rst iat= 626, 628, 629, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 38 N, 38 CA, 38 118.2 +/- 5 &rst iat= 629, 628, 630, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 38 CA, 38 CB, 38 110.5 +/- 1.7 &rst iat= 628, 630, 632, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 38 CA, 38 HA, 38 109.5 +/- 5 &rst iat= 628, 630, 631, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 38 CA, 38 C, 38 111.2 +/- 2.8 &rst iat= 628, 630, 637, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 38 CA, 38 CB, 38 109.5 +/- 5 &rst iat= 631, 630, 632, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 38 CA, 38 C, 38 109.5 +/- 5 &rst iat= 631, 630, 637, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 38 CA, 38 C, 38 110.1 +/- 1.9 &rst iat= 632, 630, 637, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 38 C, 38 O, 38 120.8 +/- 1.7 &rst iat= 630, 637, 638, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 38 C, 38 N, 39 123.0 +/- 1.6 &rst iat= 638, 637, 639, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 38 C, 38 N, 39 116.2 +/- 2.0 &rst iat= 630, 637, 639, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 38 N, 39 CA, 39 121.7 +/- 1.8 &rst iat= 637, 639, 641, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 38 N, 39 H, 39 119.5 +/- 5 &rst iat= 637, 639, 640, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 39 N, 39 CA, 39 118.2 +/- 5 &rst iat= 640, 639, 641, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 39 CA, 39 CB, 39 110.5 +/- 1.7 &rst iat= 639, 641, 643, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 39 CA, 39 HA, 39 109.5 +/- 5 &rst iat= 639, 641, 642, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 39 CA, 39 C, 39 111.2 +/- 2.8 &rst iat= 639, 641, 656, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 39 CA, 39 CB, 39 109.5 +/- 5 &rst iat= 642, 641, 643, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 39 CA, 39 C, 39 109.5 +/- 5 &rst iat= 642, 641, 656, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 39 CA, 39 C, 39 110.1 +/- 1.9 &rst iat= 643, 641, 656, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 39 C, 39 O, 39 120.8 +/- 1.7 &rst iat= 641, 656, 657, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 39 C, 39 N, 40 123.0 +/- 1.6 &rst iat= 657, 656, 658, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 39 C, 39 N, 40 116.2 +/- 2.0 &rst iat= 641, 656, 658, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 39 N, 40 CA, 40 121.7 +/- 1.8 &rst iat= 656, 658, 660, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 39 N, 40 H, 40 119.5 +/- 5 &rst iat= 656, 658, 659, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 40 N, 40 CA, 40 118.2 +/- 5 &rst iat= 659, 658, 660, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 40 CA, 40 CB, 40 110.5 +/- 1.7 &rst iat= 658, 660, 662, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 40 CA, 40 HA, 40 109.5 +/- 5 &rst iat= 658, 660, 661, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 40 CA, 40 C, 40 111.2 +/- 2.8 &rst iat= 658, 660, 680, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 40 CA, 40 CB, 40 109.5 +/- 5 &rst iat= 661, 660, 662, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 40 CA, 40 C, 40 109.5 +/- 5 &rst iat= 661, 660, 680, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 40 CA, 40 C, 40 110.1 +/- 1.9 &rst iat= 662, 660, 680, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 40 C, 40 O, 40 120.8 +/- 1.7 &rst iat= 660, 680, 681, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 40 C, 40 N, 41 123.0 +/- 1.6 &rst iat= 681, 680, 682, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 40 C, 40 N, 41 116.2 +/- 2.0 &rst iat= 660, 680, 682, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 40 N, 41 CA, 41 121.7 +/- 1.8 &rst iat= 680, 682, 684, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 40 N, 41 H, 41 119.5 +/- 5 &rst iat= 680, 682, 683, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 41 N, 41 CA, 41 118.2 +/- 5 &rst iat= 683, 682, 684, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 41 CA, 41 CB, 41 110.5 +/- 1.7 &rst iat= 682, 684, 686, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 41 CA, 41 HA, 41 109.5 +/- 5 &rst iat= 682, 684, 685, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 41 CA, 41 C, 41 111.2 +/- 2.8 &rst iat= 682, 684, 704, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 41 CA, 41 CB, 41 109.5 +/- 5 &rst iat= 685, 684, 686, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 41 CA, 41 C, 41 109.5 +/- 5 &rst iat= 685, 684, 704, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 41 CA, 41 C, 41 110.1 +/- 1.9 &rst iat= 686, 684, 704, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 41 C, 41 O, 41 120.8 +/- 1.7 &rst iat= 684, 704, 705, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 41 C, 41 N, 42 123.0 +/- 1.6 &rst iat= 705, 704, 706, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 41 C, 41 N, 42 116.2 +/- 2.0 &rst iat= 684, 704, 706, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 41 N, 42 CA, 42 121.7 +/- 1.8 &rst iat= 704, 706, 708, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 41 N, 42 H, 42 119.5 +/- 5 &rst iat= 704, 706, 707, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 42 N, 42 CA, 42 118.2 +/- 5 &rst iat= 707, 706, 708, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 42 CA, 42 CB, 42 110.5 +/- 1.7 &rst iat= 706, 708, 710, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 42 CA, 42 HA, 42 109.5 +/- 5 &rst iat= 706, 708, 709, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 42 CA, 42 C, 42 111.2 +/- 2.8 &rst iat= 706, 708, 721, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 42 CA, 42 CB, 42 109.5 +/- 5 &rst iat= 709, 708, 710, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 42 CA, 42 C, 42 109.5 +/- 5 &rst iat= 709, 708, 721, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 42 CA, 42 C, 42 110.1 +/- 1.9 &rst iat= 710, 708, 721, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 42 C, 42 O, 42 120.8 +/- 1.7 &rst iat= 708, 721, 722, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PHE O, 42 C, 42 N, 43 123.0 +/- 1.6 &rst iat= 722, 721, 723, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle PHE CA, 42 C, 42 N, 43 116.2 +/- 2.0 &rst iat= 708, 721, 723, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle PHE C, 42 N, 43 CA, 43 121.7 +/- 1.8 &rst iat= 721, 723, 725, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle PHE C, 42 N, 43 H, 43 119.5 +/- 5 &rst iat= 721, 723, 724, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle PHE H, 43 N, 43 CA, 43 118.2 +/- 5 &rst iat= 724, 723, 725, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle PHE N, 43 CA, 43 CB, 43 110.5 +/- 1.7 &rst iat= 723, 725, 727, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle PHE N, 43 CA, 43 HA, 43 109.5 +/- 5 &rst iat= 723, 725, 726, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE N, 43 CA, 43 C, 43 111.2 +/- 2.8 &rst iat= 723, 725, 741, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle PHE HA, 43 CA, 43 CB, 43 109.5 +/- 5 &rst iat= 726, 725, 727, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE HA, 43 CA, 43 C, 43 109.5 +/- 5 &rst iat= 726, 725, 741, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE CB, 43 CA, 43 C, 43 110.1 +/- 1.9 &rst iat= 727, 725, 741, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PHE CA, 43 C, 43 O, 43 120.8 +/- 1.7 &rst iat= 725, 741, 742, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASN O, 43 C, 43 N, 44 123.0 +/- 1.6 &rst iat= 742, 741, 743, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASN CA, 43 C, 43 N, 44 116.2 +/- 2.0 &rst iat= 725, 741, 743, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASN C, 43 N, 44 CA, 44 121.7 +/- 1.8 &rst iat= 741, 743, 745, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASN C, 43 N, 44 H, 44 119.5 +/- 5 &rst iat= 741, 743, 744, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASN H, 44 N, 44 CA, 44 118.2 +/- 5 &rst iat= 744, 743, 745, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASN N, 44 CA, 44 CB, 44 110.5 +/- 1.7 &rst iat= 743, 745, 747, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASN N, 44 CA, 44 HA, 44 109.5 +/- 5 &rst iat= 743, 745, 746, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN N, 44 CA, 44 C, 44 111.2 +/- 2.8 &rst iat= 743, 745, 755, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASN HA, 44 CA, 44 CB, 44 109.5 +/- 5 &rst iat= 746, 745, 747, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN HA, 44 CA, 44 C, 44 109.5 +/- 5 &rst iat= 746, 745, 755, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN CB, 44 CA, 44 C, 44 110.1 +/- 1.9 &rst iat= 747, 745, 755, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASN CA, 44 C, 44 O, 44 120.8 +/- 1.7 &rst iat= 745, 755, 756, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 44 C, 44 N, 45 123.0 +/- 1.6 &rst iat= 756, 755, 757, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 44 C, 44 N, 45 116.2 +/- 2.0 &rst iat= 745, 755, 757, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 44 N, 45 CA, 45 121.7 +/- 1.8 &rst iat= 755, 757, 759, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 44 N, 45 H, 45 119.5 +/- 5 &rst iat= 755, 757, 758, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 45 N, 45 CA, 45 118.2 +/- 5 &rst iat= 758, 757, 759, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 45 CA, 45 CB, 45 110.5 +/- 1.7 &rst iat= 757, 759, 761, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 45 CA, 45 HA, 45 109.5 +/- 5 &rst iat= 757, 759, 760, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 45 CA, 45 C, 45 111.2 +/- 2.8 &rst iat= 757, 759, 774, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 45 CA, 45 CB, 45 109.5 +/- 5 &rst iat= 760, 759, 761, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 45 CA, 45 C, 45 109.5 +/- 5 &rst iat= 760, 759, 774, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 45 CA, 45 C, 45 110.1 +/- 1.9 &rst iat= 761, 759, 774, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 45 C, 45 O, 45 120.8 +/- 1.7 &rst iat= 759, 774, 775, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 45 C, 45 N, 46 123.0 +/- 1.6 &rst iat= 775, 774, 776, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 45 C, 45 N, 46 116.2 +/- 2.0 &rst iat= 759, 774, 776, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 45 N, 46 CA, 46 121.7 +/- 1.8 &rst iat= 774, 776, 778, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 45 N, 46 H, 46 119.5 +/- 5 &rst iat= 774, 776, 777, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 46 N, 46 CA, 46 118.2 +/- 5 &rst iat= 777, 776, 778, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 46 CA, 46 CB, 46 110.5 +/- 1.7 &rst iat= 776, 778, 780, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 46 CA, 46 HA, 46 109.5 +/- 5 &rst iat= 776, 778, 779, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 46 CA, 46 C, 46 111.2 +/- 2.8 &rst iat= 776, 778, 791, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 46 CA, 46 CB, 46 109.5 +/- 5 &rst iat= 779, 778, 780, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 46 CA, 46 C, 46 109.5 +/- 5 &rst iat= 779, 778, 791, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 46 CA, 46 C, 46 110.1 +/- 1.9 &rst iat= 780, 778, 791, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 46 C, 46 O, 46 120.8 +/- 1.7 &rst iat= 778, 791, 792, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 46 C, 46 N, 47 123.0 +/- 1.6 &rst iat= 792, 791, 793, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 46 C, 46 N, 47 116.2 +/- 2.0 &rst iat= 778, 791, 793, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 46 N, 47 CA, 47 121.7 +/- 1.8 &rst iat= 791, 793, 795, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 46 N, 47 H, 47 119.5 +/- 5 &rst iat= 791, 793, 794, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 47 N, 47 CA, 47 118.2 +/- 5 &rst iat= 794, 793, 795, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 47 CA, 47 CB, 47 110.5 +/- 1.7 &rst iat= 793, 795, 797, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 47 CA, 47 HA, 47 109.5 +/- 5 &rst iat= 793, 795, 796, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 47 CA, 47 C, 47 111.2 +/- 2.8 &rst iat= 793, 795, 802, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 47 CA, 47 CB, 47 109.5 +/- 5 &rst iat= 796, 795, 797, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 47 CA, 47 C, 47 109.5 +/- 5 &rst iat= 796, 795, 802, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 47 CA, 47 C, 47 110.1 +/- 1.9 &rst iat= 797, 795, 802, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 47 C, 47 O, 47 120.8 +/- 1.7 &rst iat= 795, 802, 803, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TRP O, 47 C, 47 N, 48 123.0 +/- 1.6 &rst iat= 803, 802, 804, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TRP CA, 47 C, 47 N, 48 116.2 +/- 2.0 &rst iat= 795, 802, 804, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TRP C, 47 N, 48 CA, 48 121.7 +/- 1.8 &rst iat= 802, 804, 806, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TRP C, 47 N, 48 H, 48 119.5 +/- 5 &rst iat= 802, 804, 805, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TRP H, 48 N, 48 CA, 48 118.2 +/- 5 &rst iat= 805, 804, 806, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TRP N, 48 CA, 48 CB, 48 110.5 +/- 1.7 &rst iat= 804, 806, 808, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TRP N, 48 CA, 48 HA, 48 109.5 +/- 5 &rst iat= 804, 806, 807, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TRP N, 48 CA, 48 C, 48 111.2 +/- 2.8 &rst iat= 804, 806, 826, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TRP HA, 48 CA, 48 CB, 48 109.5 +/- 5 &rst iat= 807, 806, 808, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TRP HA, 48 CA, 48 C, 48 109.5 +/- 5 &rst iat= 807, 806, 826, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TRP CB, 48 CA, 48 C, 48 110.1 +/- 1.9 &rst iat= 808, 806, 826, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TRP CA, 48 C, 48 O, 48 120.8 +/- 1.7 &rst iat= 806, 826, 827, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLU O, 48 C, 48 N, 49 123.0 +/- 1.6 &rst iat= 827, 826, 828, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 48 C, 48 N, 49 116.2 +/- 2.0 &rst iat= 806, 826, 828, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 48 N, 49 CA, 49 121.7 +/- 1.8 &rst iat= 826, 828, 830, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 48 N, 49 H, 49 119.5 +/- 5 &rst iat= 826, 828, 829, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 49 N, 49 CA, 49 118.2 +/- 5 &rst iat= 829, 828, 830, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 49 CA, 49 CB, 49 110.5 +/- 1.7 &rst iat= 828, 830, 832, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 49 CA, 49 HA, 49 109.5 +/- 5 &rst iat= 828, 830, 831, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 49 CA, 49 C, 49 111.2 +/- 2.8 &rst iat= 828, 830, 841, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 49 CA, 49 CB, 49 109.5 +/- 5 &rst iat= 831, 830, 832, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 49 CA, 49 C, 49 109.5 +/- 5 &rst iat= 831, 830, 841, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 49 CA, 49 C, 49 110.1 +/- 1.9 &rst iat= 832, 830, 841, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 49 C, 49 O, 49 120.8 +/- 1.7 &rst iat= 830, 841, 842, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 49 C, 49 N, 50 123.0 +/- 1.6 &rst iat= 842, 841, 843, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 49 C, 49 N, 50 116.2 +/- 2.0 &rst iat= 830, 841, 843, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 49 N, 50 CA, 50 121.7 +/- 1.8 &rst iat= 841, 843, 845, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 49 N, 50 H, 50 119.5 +/- 5 &rst iat= 841, 843, 844, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 50 N, 50 CA, 50 118.2 +/- 5 &rst iat= 844, 843, 845, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 50 CA, 50 CB, 50 110.5 +/- 1.7 &rst iat= 843, 845, 847, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 50 CA, 50 HA, 50 109.5 +/- 5 &rst iat= 843, 845, 846, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 50 CA, 50 C, 50 111.2 +/- 2.8 &rst iat= 843, 845, 863, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 50 CA, 50 CB, 50 109.5 +/- 5 &rst iat= 846, 845, 847, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 50 CA, 50 C, 50 109.5 +/- 5 &rst iat= 846, 845, 863, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 50 CA, 50 C, 50 110.1 +/- 1.9 &rst iat= 847, 845, 863, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 50 C, 50 O, 50 120.8 +/- 1.7 &rst iat= 845, 863, 864, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 50 C, 50 N, 51 123.0 +/- 1.6 &rst iat= 864, 863, 865, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 50 C, 50 N, 51 116.2 +/- 2.0 &rst iat= 845, 863, 865, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 50 N, 51 CA, 51 121.7 +/- 1.8 &rst iat= 863, 865, 867, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 50 N, 51 H, 51 119.5 +/- 5 &rst iat= 863, 865, 866, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 51 N, 51 CA, 51 118.2 +/- 5 &rst iat= 866, 865, 867, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 51 CA, 51 CB, 51 110.5 +/- 1.7 &rst iat= 865, 867, 869, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 51 CA, 51 HA, 51 109.5 +/- 5 &rst iat= 865, 867, 868, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 51 CA, 51 C, 51 111.2 +/- 2.8 &rst iat= 865, 867, 885, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 51 CA, 51 CB, 51 109.5 +/- 5 &rst iat= 868, 867, 869, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 51 CA, 51 C, 51 109.5 +/- 5 &rst iat= 868, 867, 885, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 51 CA, 51 C, 51 110.1 +/- 1.9 &rst iat= 869, 867, 885, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 51 C, 51 O, 51 120.8 +/- 1.7 &rst iat= 867, 885, 886, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 51 C, 51 N, 52 123.0 +/- 1.6 &rst iat= 886, 885, 887, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 51 C, 51 N, 52 116.2 +/- 2.0 &rst iat= 867, 885, 887, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 51 N, 52 CA, 52 121.7 +/- 1.8 &rst iat= 885, 887, 889, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 51 N, 52 H, 52 119.5 +/- 5 &rst iat= 885, 887, 888, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 52 N, 52 CA, 52 118.2 +/- 5 &rst iat= 888, 887, 889, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 52 CA, 52 CB, 52 110.5 +/- 1.7 &rst iat= 887, 889, 891, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 52 CA, 52 HA, 52 109.5 +/- 5 &rst iat= 887, 889, 890, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 52 CA, 52 C, 52 111.2 +/- 2.8 &rst iat= 887, 889, 906, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 52 CA, 52 CB, 52 109.5 +/- 5 &rst iat= 890, 889, 891, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 52 CA, 52 C, 52 109.5 +/- 5 &rst iat= 890, 889, 906, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 52 CA, 52 C, 52 110.1 +/- 1.9 &rst iat= 891, 889, 906, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 52 C, 52 O, 52 120.8 +/- 1.7 &rst iat= 889, 906, 907, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PRO O, 52 C, 52 N, 53 122.0 +/- 1.4 &rst iat= 907, 906, 908, r1= 120.6, r2= 122.0, r3= 122.0, r4= 123.4, &end # angle PRO CA, 52 C, 52 N, 53 116.9 +/- 1.5 &rst iat= 889, 906, 908, r1= 115.4, r2= 116.9, r3= 116.9, r4= 118.4, &end # angle PRO C, 52 N, 53 CA, 53 122.6 +/- 5.0 &rst iat= 906, 908, 918, r1= 117.6, r2= 122.6, r3= 122.6, r4= 127.6, &end # angle PRO C, 52 N, 53 CD, 53 125.0 +/- 5 &rst iat= 906, 908, 909, r1= 120, r2= 125.0, r3= 125.0, r4= 130, &end # angle PRO CD, 53 N, 53 CA, 53 112.0 +/- 5 &rst iat= 909, 908, 918, r1= 107, r2= 112.0, r3= 112.0, r4= 117, &end # angle PRO N, 53 CA, 53 CB, 53 103.0 +/- 1.1 &rst iat= 908, 918, 915, r1= 101.9, r2= 103.0, r3= 103.0, r4= 104.1, &end # angle PRO N, 53 CA, 53 HA, 53 109.5 +/- 5 &rst iat= 908, 918, 919, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO N, 53 CA, 53 C, 53 111.8 +/- 2.5 &rst iat= 908, 918, 920, r1= 109.3, r2= 111.8, r3= 111.8, r4= 114.3, &end # angle PRO HA, 53 CA, 53 CB, 53 109.5 +/- 5 &rst iat= 919, 918, 915, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO HA, 53 CA, 53 C, 53 109.5 +/- 5 &rst iat= 919, 918, 920, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO CB, 53 CA, 53 C, 53 110.1 +/- 1.9 &rst iat= 915, 918, 920, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PRO CA, 53 C, 53 O, 53 120.8 +/- 1.7 &rst iat= 918, 920, 921, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 53 C, 53 N, 54 123.0 +/- 1.6 &rst iat= 921, 920, 922, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 53 C, 53 N, 54 116.2 +/- 2.0 &rst iat= 918, 920, 922, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 53 N, 54 CA, 54 121.7 +/- 1.8 &rst iat= 920, 922, 924, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 53 N, 54 H, 54 119.5 +/- 5 &rst iat= 920, 922, 923, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 54 N, 54 CA, 54 118.2 +/- 5 &rst iat= 923, 922, 924, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 54 CA, 54 CB, 54 110.5 +/- 1.7 &rst iat= 922, 924, 926, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 54 CA, 54 HA, 54 109.5 +/- 5 &rst iat= 922, 924, 925, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 54 CA, 54 C, 54 111.2 +/- 2.8 &rst iat= 922, 924, 930, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 54 CA, 54 CB, 54 109.5 +/- 5 &rst iat= 925, 924, 926, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 54 CA, 54 C, 54 109.5 +/- 5 &rst iat= 925, 924, 930, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 54 CA, 54 C, 54 110.1 +/- 1.9 &rst iat= 926, 924, 930, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 54 C, 54 O, 54 120.8 +/- 1.7 &rst iat= 924, 930, 931, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 54 C, 54 N, 55 123.0 +/- 1.6 &rst iat= 931, 930, 932, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 54 C, 54 N, 55 116.2 +/- 2.0 &rst iat= 924, 930, 932, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 54 N, 55 CA, 55 121.7 +/- 1.8 &rst iat= 930, 932, 934, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 54 N, 55 H, 55 119.5 +/- 5 &rst iat= 930, 932, 933, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 55 N, 55 CA, 55 118.2 +/- 5 &rst iat= 933, 932, 934, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 55 CA, 55 CB, 55 110.5 +/- 1.7 &rst iat= 932, 934, 936, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 55 CA, 55 HA, 55 109.5 +/- 5 &rst iat= 932, 934, 935, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 55 CA, 55 C, 55 111.2 +/- 2.8 &rst iat= 932, 934, 954, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 55 CA, 55 CB, 55 109.5 +/- 5 &rst iat= 935, 934, 936, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 55 CA, 55 C, 55 109.5 +/- 5 &rst iat= 935, 934, 954, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 55 CA, 55 C, 55 110.1 +/- 1.9 &rst iat= 936, 934, 954, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 55 C, 55 O, 55 120.8 +/- 1.7 &rst iat= 934, 954, 955, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 55 C, 55 N, 56 123.0 +/- 1.6 &rst iat= 955, 954, 956, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 55 C, 55 N, 56 116.2 +/- 2.0 &rst iat= 934, 954, 956, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 55 N, 56 CA, 56 121.7 +/- 1.8 &rst iat= 954, 956, 958, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 55 N, 56 H, 56 119.5 +/- 5 &rst iat= 954, 956, 957, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 56 N, 56 CA, 56 118.2 +/- 5 &rst iat= 957, 956, 958, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 56 CA, 56 CB, 56 110.5 +/- 1.7 &rst iat= 956, 958, 960, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 56 CA, 56 HA, 56 109.5 +/- 5 &rst iat= 956, 958, 959, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 56 CA, 56 C, 56 111.2 +/- 2.8 &rst iat= 956, 958, 975, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 56 CA, 56 CB, 56 109.5 +/- 5 &rst iat= 959, 958, 960, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 56 CA, 56 C, 56 109.5 +/- 5 &rst iat= 959, 958, 975, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 56 CA, 56 C, 56 110.1 +/- 1.9 &rst iat= 960, 958, 975, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 56 C, 56 O, 56 120.8 +/- 1.7 &rst iat= 958, 975, 976, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 56 C, 56 N, 57 123.0 +/- 1.6 &rst iat= 976, 975, 977, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 56 C, 56 N, 57 116.2 +/- 2.0 &rst iat= 958, 975, 977, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 56 N, 57 CA, 57 121.7 +/- 1.8 &rst iat= 975, 977, 979, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 56 N, 57 H, 57 119.5 +/- 5 &rst iat= 975, 977, 978, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 57 N, 57 CA, 57 118.2 +/- 5 &rst iat= 978, 977, 979, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 57 CA, 57 CB, 57 110.5 +/- 1.7 &rst iat= 977, 979, 981, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 57 CA, 57 HA, 57 109.5 +/- 5 &rst iat= 977, 979, 980, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 57 CA, 57 C, 57 111.2 +/- 2.8 &rst iat= 977, 979, 985, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 57 CA, 57 CB, 57 109.5 +/- 5 &rst iat= 980, 979, 981, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 57 CA, 57 C, 57 109.5 +/- 5 &rst iat= 980, 979, 985, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 57 CA, 57 C, 57 110.1 +/- 1.9 &rst iat= 981, 979, 985, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 57 C, 57 O, 57 120.8 +/- 1.7 &rst iat= 979, 985, 986, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLU O, 57 C, 57 N, 58 123.0 +/- 1.6 &rst iat= 986, 985, 987, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 57 C, 57 N, 58 116.2 +/- 2.0 &rst iat= 979, 985, 987, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 57 N, 58 CA, 58 121.7 +/- 1.8 &rst iat= 985, 987, 989, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 57 N, 58 H, 58 119.5 +/- 5 &rst iat= 985, 987, 988, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 58 N, 58 CA, 58 118.2 +/- 5 &rst iat= 988, 987, 989, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 58 CA, 58 CB, 58 110.5 +/- 1.7 &rst iat= 987, 989, 991, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 58 CA, 58 HA, 58 109.5 +/- 5 &rst iat= 987, 989, 990, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 58 CA, 58 C, 58 111.2 +/- 2.8 &rst iat= 987, 989, 1000, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 58 CA, 58 CB, 58 109.5 +/- 5 &rst iat= 990, 989, 991, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 58 CA, 58 C, 58 109.5 +/- 5 &rst iat= 990, 989, 1000, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 58 CA, 58 C, 58 110.1 +/- 1.9 &rst iat= 991, 989, 1000, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 58 C, 58 O, 58 120.8 +/- 1.7 &rst iat= 989, 1000, 1001, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 58 C, 58 N, 59 123.0 +/- 1.6 &rst iat= 1001, 1000, 1002, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 58 C, 58 N, 59 116.2 +/- 2.0 &rst iat= 989, 1000, 1002, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 58 N, 59 CA, 59 121.7 +/- 1.8 &rst iat= 1000, 1002, 1004, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 58 N, 59 H, 59 119.5 +/- 5 &rst iat= 1000, 1002, 1003, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 59 N, 59 CA, 59 118.2 +/- 5 &rst iat= 1003, 1002, 1004, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 59 CA, 59 CB, 59 110.5 +/- 1.7 &rst iat= 1002, 1004, 1006, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 59 CA, 59 HA, 59 109.5 +/- 5 &rst iat= 1002, 1004, 1005, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 59 CA, 59 C, 59 111.2 +/- 2.8 &rst iat= 1002, 1004, 1022, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 59 CA, 59 CB, 59 109.5 +/- 5 &rst iat= 1005, 1004, 1006, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 59 CA, 59 C, 59 109.5 +/- 5 &rst iat= 1005, 1004, 1022, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 59 CA, 59 C, 59 110.1 +/- 1.9 &rst iat= 1006, 1004, 1022, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 59 C, 59 O, 59 120.8 +/- 1.7 &rst iat= 1004, 1022, 1023, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 59 C, 59 N, 60 123.0 +/- 1.6 &rst iat= 1023, 1022, 1024, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 59 C, 59 N, 60 116.2 +/- 2.0 &rst iat= 1004, 1022, 1024, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 59 N, 60 CA, 60 121.7 +/- 1.8 &rst iat= 1022, 1024, 1026, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 59 N, 60 H, 60 119.5 +/- 5 &rst iat= 1022, 1024, 1025, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 60 N, 60 CA, 60 118.2 +/- 5 &rst iat= 1025, 1024, 1026, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 60 CA, 60 CB, 60 110.5 +/- 1.7 &rst iat= 1024, 1026, 1028, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 60 CA, 60 HA, 60 109.5 +/- 5 &rst iat= 1024, 1026, 1027, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 60 CA, 60 C, 60 111.2 +/- 2.8 &rst iat= 1024, 1026, 1038, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 60 CA, 60 CB, 60 109.5 +/- 5 &rst iat= 1027, 1026, 1028, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 60 CA, 60 C, 60 109.5 +/- 5 &rst iat= 1027, 1026, 1038, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 60 CA, 60 C, 60 110.1 +/- 1.9 &rst iat= 1028, 1026, 1038, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 60 C, 60 O, 60 120.8 +/- 1.7 &rst iat= 1026, 1038, 1039, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PHE O, 60 C, 60 N, 61 123.0 +/- 1.6 &rst iat= 1039, 1038, 1040, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle PHE CA, 60 C, 60 N, 61 116.2 +/- 2.0 &rst iat= 1026, 1038, 1040, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle PHE C, 60 N, 61 CA, 61 121.7 +/- 1.8 &rst iat= 1038, 1040, 1042, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle PHE C, 60 N, 61 H, 61 119.5 +/- 5 &rst iat= 1038, 1040, 1041, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle PHE H, 61 N, 61 CA, 61 118.2 +/- 5 &rst iat= 1041, 1040, 1042, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle PHE N, 61 CA, 61 CB, 61 110.5 +/- 1.7 &rst iat= 1040, 1042, 1044, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle PHE N, 61 CA, 61 HA, 61 109.5 +/- 5 &rst iat= 1040, 1042, 1043, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE N, 61 CA, 61 C, 61 111.2 +/- 2.8 &rst iat= 1040, 1042, 1058, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle PHE HA, 61 CA, 61 CB, 61 109.5 +/- 5 &rst iat= 1043, 1042, 1044, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE HA, 61 CA, 61 C, 61 109.5 +/- 5 &rst iat= 1043, 1042, 1058, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE CB, 61 CA, 61 C, 61 110.1 +/- 1.9 &rst iat= 1044, 1042, 1058, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PHE CA, 61 C, 61 O, 61 120.8 +/- 1.7 &rst iat= 1042, 1058, 1059, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PRO O, 61 C, 61 N, 62 122.0 +/- 1.4 &rst iat= 1059, 1058, 1060, r1= 120.6, r2= 122.0, r3= 122.0, r4= 123.4, &end # angle PRO CA, 61 C, 61 N, 62 116.9 +/- 1.5 &rst iat= 1042, 1058, 1060, r1= 115.4, r2= 116.9, r3= 116.9, r4= 118.4, &end # angle PRO C, 61 N, 62 CA, 62 122.6 +/- 5.0 &rst iat= 1058, 1060, 1070, r1= 117.6, r2= 122.6, r3= 122.6, r4= 127.6, &end # angle PRO C, 61 N, 62 CD, 62 125.0 +/- 5 &rst iat= 1058, 1060, 1061, r1= 120, r2= 125.0, r3= 125.0, r4= 130, &end # angle PRO CD, 62 N, 62 CA, 62 112.0 +/- 5 &rst iat= 1061, 1060, 1070, r1= 107, r2= 112.0, r3= 112.0, r4= 117, &end # angle PRO N, 62 CA, 62 CB, 62 103.0 +/- 1.1 &rst iat= 1060, 1070, 1067, r1= 101.9, r2= 103.0, r3= 103.0, r4= 104.1, &end # angle PRO N, 62 CA, 62 HA, 62 109.5 +/- 5 &rst iat= 1060, 1070, 1071, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO N, 62 CA, 62 C, 62 111.8 +/- 2.5 &rst iat= 1060, 1070, 1072, r1= 109.3, r2= 111.8, r3= 111.8, r4= 114.3, &end # angle PRO HA, 62 CA, 62 CB, 62 109.5 +/- 5 &rst iat= 1071, 1070, 1067, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO HA, 62 CA, 62 C, 62 109.5 +/- 5 &rst iat= 1071, 1070, 1072, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO CB, 62 CA, 62 C, 62 110.1 +/- 1.9 &rst iat= 1067, 1070, 1072, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PRO CA, 62 C, 62 O, 62 120.8 +/- 1.7 &rst iat= 1070, 1072, 1073, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 62 C, 62 N, 63 123.0 +/- 1.6 &rst iat= 1073, 1072, 1074, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 62 C, 62 N, 63 116.2 +/- 2.0 &rst iat= 1070, 1072, 1074, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 62 N, 63 CA, 63 121.7 +/- 1.8 &rst iat= 1072, 1074, 1076, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 62 N, 63 H, 63 119.5 +/- 5 &rst iat= 1072, 1074, 1075, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 63 N, 63 CA, 63 118.2 +/- 5 &rst iat= 1075, 1074, 1076, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 63 CA, 63 CB, 63 110.5 +/- 1.7 &rst iat= 1074, 1076, 1078, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 63 CA, 63 HA, 63 109.5 +/- 5 &rst iat= 1074, 1076, 1077, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 63 CA, 63 C, 63 111.2 +/- 2.8 &rst iat= 1074, 1076, 1091, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 63 CA, 63 CB, 63 109.5 +/- 5 &rst iat= 1077, 1076, 1078, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 63 CA, 63 C, 63 109.5 +/- 5 &rst iat= 1077, 1076, 1091, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 63 CA, 63 C, 63 110.1 +/- 1.9 &rst iat= 1078, 1076, 1091, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 63 C, 63 O, 63 120.8 +/- 1.7 &rst iat= 1076, 1091, 1092, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ALA O, 63 C, 63 N, 64 123.0 +/- 1.6 &rst iat= 1092, 1091, 1093, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ALA CA, 63 C, 63 N, 64 116.2 +/- 2.0 &rst iat= 1076, 1091, 1093, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ALA C, 63 N, 64 CA, 64 121.7 +/- 1.8 &rst iat= 1091, 1093, 1095, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ALA C, 63 N, 64 H, 64 119.5 +/- 5 &rst iat= 1091, 1093, 1094, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ALA H, 64 N, 64 CA, 64 118.2 +/- 5 &rst iat= 1094, 1093, 1095, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ALA N, 64 CA, 64 CB, 64 110.4 +/- 1.5 &rst iat= 1093, 1095, 1097, r1= 108.9, r2= 110.4, r3= 110.4, r4= 111.9, &end # angle ALA N, 64 CA, 64 HA, 64 109.5 +/- 5 &rst iat= 1093, 1095, 1096, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA N, 64 CA, 64 C, 64 111.2 +/- 2.8 &rst iat= 1093, 1095, 1101, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ALA HA, 64 CA, 64 CB, 64 109.5 +/- 5 &rst iat= 1096, 1095, 1097, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA HA, 64 CA, 64 C, 64 109.5 +/- 5 &rst iat= 1096, 1095, 1101, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA CB, 64 CA, 64 C, 64 110.5 +/- 1.5 &rst iat= 1097, 1095, 1101, r1= 109, r2= 110.5, r3= 110.5, r4= 112, &end # angle ALA CA, 64 C, 64 O, 64 120.8 +/- 1.7 &rst iat= 1095, 1101, 1102, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLU O, 64 C, 64 N, 65 123.0 +/- 1.6 &rst iat= 1102, 1101, 1103, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 64 C, 64 N, 65 116.2 +/- 2.0 &rst iat= 1095, 1101, 1103, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 64 N, 65 CA, 65 121.7 +/- 1.8 &rst iat= 1101, 1103, 1105, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 64 N, 65 H, 65 119.5 +/- 5 &rst iat= 1101, 1103, 1104, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 65 N, 65 CA, 65 118.2 +/- 5 &rst iat= 1104, 1103, 1105, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 65 CA, 65 CB, 65 110.5 +/- 1.7 &rst iat= 1103, 1105, 1107, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 65 CA, 65 HA, 65 109.5 +/- 5 &rst iat= 1103, 1105, 1106, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 65 CA, 65 C, 65 111.2 +/- 2.8 &rst iat= 1103, 1105, 1116, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 65 CA, 65 CB, 65 109.5 +/- 5 &rst iat= 1106, 1105, 1107, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 65 CA, 65 C, 65 109.5 +/- 5 &rst iat= 1106, 1105, 1116, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 65 CA, 65 C, 65 110.1 +/- 1.9 &rst iat= 1107, 1105, 1116, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 65 C, 65 O, 65 120.8 +/- 1.7 &rst iat= 1105, 1116, 1117, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 65 C, 65 N, 66 123.0 +/- 1.6 &rst iat= 1117, 1116, 1118, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 65 C, 65 N, 66 116.2 +/- 2.0 &rst iat= 1105, 1116, 1118, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 65 N, 66 CA, 66 121.7 +/- 1.8 &rst iat= 1116, 1118, 1120, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 65 N, 66 H, 66 119.5 +/- 5 &rst iat= 1116, 1118, 1119, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 66 N, 66 CA, 66 118.2 +/- 5 &rst iat= 1119, 1118, 1120, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 66 CA, 66 CB, 66 110.5 +/- 1.7 &rst iat= 1118, 1120, 1122, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 66 CA, 66 HA, 66 109.5 +/- 5 &rst iat= 1118, 1120, 1121, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 66 CA, 66 C, 66 111.2 +/- 2.8 &rst iat= 1118, 1120, 1137, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 66 CA, 66 CB, 66 109.5 +/- 5 &rst iat= 1121, 1120, 1122, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 66 CA, 66 C, 66 109.5 +/- 5 &rst iat= 1121, 1120, 1137, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 66 CA, 66 C, 66 110.1 +/- 1.9 &rst iat= 1122, 1120, 1137, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 66 C, 66 O, 66 120.8 +/- 1.7 &rst iat= 1120, 1137, 1138, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 66 C, 66 N, 67 123.0 +/- 1.6 &rst iat= 1138, 1137, 1139, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 66 C, 66 N, 67 116.2 +/- 2.0 &rst iat= 1120, 1137, 1139, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 66 N, 67 CA, 67 121.7 +/- 1.8 &rst iat= 1137, 1139, 1141, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 66 N, 67 H, 67 119.5 +/- 5 &rst iat= 1137, 1139, 1140, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 67 N, 67 CA, 67 118.2 +/- 5 &rst iat= 1140, 1139, 1141, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 67 CA, 67 CB, 67 110.5 +/- 1.7 &rst iat= 1139, 1141, 1143, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 67 CA, 67 HA, 67 109.5 +/- 5 &rst iat= 1139, 1141, 1142, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 67 CA, 67 C, 67 111.2 +/- 2.8 &rst iat= 1139, 1141, 1161, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 67 CA, 67 CB, 67 109.5 +/- 5 &rst iat= 1142, 1141, 1143, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 67 CA, 67 C, 67 109.5 +/- 5 &rst iat= 1142, 1141, 1161, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 67 CA, 67 C, 67 110.1 +/- 1.9 &rst iat= 1143, 1141, 1161, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 67 C, 67 O, 67 120.8 +/- 1.7 &rst iat= 1141, 1161, 1162, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle THR O, 67 C, 67 N, 68 123.0 +/- 1.6 &rst iat= 1162, 1161, 1163, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle THR CA, 67 C, 67 N, 68 116.2 +/- 2.0 &rst iat= 1141, 1161, 1163, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle THR C, 67 N, 68 CA, 68 121.7 +/- 1.8 &rst iat= 1161, 1163, 1165, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle THR C, 67 N, 68 H, 68 119.5 +/- 5 &rst iat= 1161, 1163, 1164, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle THR H, 68 N, 68 CA, 68 118.2 +/- 5 &rst iat= 1164, 1163, 1165, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle THR N, 68 CA, 68 CB, 68 111.5 +/- 1.7 &rst iat= 1163, 1165, 1167, r1= 109.8, r2= 111.5, r3= 111.5, r4= 113.2, &end # angle THR N, 68 CA, 68 HA, 68 109.5 +/- 5 &rst iat= 1163, 1165, 1166, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR N, 68 CA, 68 C, 68 111.2 +/- 2.8 &rst iat= 1163, 1165, 1175, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle THR HA, 68 CA, 68 CB, 68 109.5 +/- 5 &rst iat= 1166, 1165, 1167, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR HA, 68 CA, 68 C, 68 109.5 +/- 5 &rst iat= 1166, 1165, 1175, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR CB, 68 CA, 68 C, 68 109.1 +/- 2.2 &rst iat= 1167, 1165, 1175, r1= 106.9, r2= 109.1, r3= 109.1, r4= 111.3, &end # angle THR CA, 68 C, 68 O, 68 120.8 +/- 1.7 &rst iat= 1165, 1175, 1176, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 68 C, 68 N, 69 123.0 +/- 1.6 &rst iat= 1176, 1175, 1177, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 68 C, 68 N, 69 116.2 +/- 2.0 &rst iat= 1165, 1175, 1177, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 68 N, 69 CA, 69 121.7 +/- 1.8 &rst iat= 1175, 1177, 1179, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 68 N, 69 H, 69 119.5 +/- 5 &rst iat= 1175, 1177, 1178, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 69 N, 69 CA, 69 118.2 +/- 5 &rst iat= 1178, 1177, 1179, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 69 CA, 69 CB, 69 110.5 +/- 1.7 &rst iat= 1177, 1179, 1181, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 69 CA, 69 HA, 69 109.5 +/- 5 &rst iat= 1177, 1179, 1180, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 69 CA, 69 C, 69 111.2 +/- 2.8 &rst iat= 1177, 1179, 1197, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 69 CA, 69 CB, 69 109.5 +/- 5 &rst iat= 1180, 1179, 1181, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 69 CA, 69 C, 69 109.5 +/- 5 &rst iat= 1180, 1179, 1197, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 69 CA, 69 C, 69 110.1 +/- 1.9 &rst iat= 1181, 1179, 1197, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 69 C, 69 O, 69 120.8 +/- 1.7 &rst iat= 1179, 1197, 1198, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 69 C, 69 N, 70 123.0 +/- 1.6 &rst iat= 1198, 1197, 1199, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 69 C, 69 N, 70 116.2 +/- 2.0 &rst iat= 1179, 1197, 1199, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 69 N, 70 CA, 70 121.7 +/- 1.8 &rst iat= 1197, 1199, 1201, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 69 N, 70 H, 70 119.5 +/- 5 &rst iat= 1197, 1199, 1200, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 70 N, 70 CA, 70 118.2 +/- 5 &rst iat= 1200, 1199, 1201, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 70 CA, 70 CB, 70 110.5 +/- 1.7 &rst iat= 1199, 1201, 1203, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 70 CA, 70 HA, 70 109.5 +/- 5 &rst iat= 1199, 1201, 1202, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 70 CA, 70 C, 70 111.2 +/- 2.8 &rst iat= 1199, 1201, 1214, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 70 CA, 70 CB, 70 109.5 +/- 5 &rst iat= 1202, 1201, 1203, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 70 CA, 70 C, 70 109.5 +/- 5 &rst iat= 1202, 1201, 1214, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 70 CA, 70 C, 70 110.1 +/- 1.9 &rst iat= 1203, 1201, 1214, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 70 C, 70 O, 70 120.8 +/- 1.7 &rst iat= 1201, 1214, 1215, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLU O, 70 C, 70 N, 71 123.0 +/- 1.6 &rst iat= 1215, 1214, 1216, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 70 C, 70 N, 71 116.2 +/- 2.0 &rst iat= 1201, 1214, 1216, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 70 N, 71 CA, 71 121.7 +/- 1.8 &rst iat= 1214, 1216, 1218, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 70 N, 71 H, 71 119.5 +/- 5 &rst iat= 1214, 1216, 1217, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 71 N, 71 CA, 71 118.2 +/- 5 &rst iat= 1217, 1216, 1218, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 71 CA, 71 CB, 71 110.5 +/- 1.7 &rst iat= 1216, 1218, 1220, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 71 CA, 71 HA, 71 109.5 +/- 5 &rst iat= 1216, 1218, 1219, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 71 CA, 71 C, 71 111.2 +/- 2.8 &rst iat= 1216, 1218, 1229, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 71 CA, 71 CB, 71 109.5 +/- 5 &rst iat= 1219, 1218, 1220, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 71 CA, 71 C, 71 109.5 +/- 5 &rst iat= 1219, 1218, 1229, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 71 CA, 71 C, 71 110.1 +/- 1.9 &rst iat= 1220, 1218, 1229, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 71 C, 71 O, 71 120.8 +/- 1.7 &rst iat= 1218, 1229, 1230, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 71 C, 71 N, 72 123.0 +/- 1.6 &rst iat= 1230, 1229, 1231, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 71 C, 71 N, 72 116.2 +/- 2.0 &rst iat= 1218, 1229, 1231, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 71 N, 72 CA, 72 121.7 +/- 1.8 &rst iat= 1229, 1231, 1233, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 71 N, 72 H, 72 119.5 +/- 5 &rst iat= 1229, 1231, 1232, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 72 N, 72 CA, 72 118.2 +/- 5 &rst iat= 1232, 1231, 1233, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 72 CA, 72 CB, 72 110.5 +/- 1.7 &rst iat= 1231, 1233, 1235, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 72 CA, 72 HA, 72 109.5 +/- 5 &rst iat= 1231, 1233, 1234, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 72 CA, 72 C, 72 111.2 +/- 2.8 &rst iat= 1231, 1233, 1248, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 72 CA, 72 CB, 72 109.5 +/- 5 &rst iat= 1234, 1233, 1235, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 72 CA, 72 C, 72 109.5 +/- 5 &rst iat= 1234, 1233, 1248, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 72 CA, 72 C, 72 110.1 +/- 1.9 &rst iat= 1235, 1233, 1248, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 72 C, 72 O, 72 120.8 +/- 1.7 &rst iat= 1233, 1248, 1249, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HIP O, 72 C, 72 N, 73 123.0 +/- 1.6 &rst iat= 1249, 1248, 1250, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HIP CA, 72 C, 72 N, 73 116.2 +/- 2.0 &rst iat= 1233, 1248, 1250, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HIP C, 72 N, 73 CA, 73 121.7 +/- 1.8 &rst iat= 1248, 1250, 1252, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HIP C, 72 N, 73 H, 73 119.5 +/- 5 &rst iat= 1248, 1250, 1251, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HIP H, 73 N, 73 CA, 73 118.2 +/- 5 &rst iat= 1251, 1250, 1252, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HIP N, 73 CA, 73 CB, 73 110.5 +/- 1.7 &rst iat= 1250, 1252, 1254, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HIP N, 73 CA, 73 HA, 73 109.5 +/- 5 &rst iat= 1250, 1252, 1253, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP N, 73 CA, 73 C, 73 111.2 +/- 2.8 &rst iat= 1250, 1252, 1266, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HIP HA, 73 CA, 73 CB, 73 109.5 +/- 5 &rst iat= 1253, 1252, 1254, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP HA, 73 CA, 73 C, 73 109.5 +/- 5 &rst iat= 1253, 1252, 1266, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP CB, 73 CA, 73 C, 73 110.1 +/- 1.9 &rst iat= 1254, 1252, 1266, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HIP CA, 73 C, 73 O, 73 120.8 +/- 1.7 &rst iat= 1252, 1266, 1267, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 73 C, 73 N, 74 123.0 +/- 1.6 &rst iat= 1267, 1266, 1268, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 73 C, 73 N, 74 116.2 +/- 2.0 &rst iat= 1252, 1266, 1268, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 73 N, 74 CA, 74 121.7 +/- 1.8 &rst iat= 1266, 1268, 1270, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 73 N, 74 H, 74 119.5 +/- 5 &rst iat= 1266, 1268, 1269, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 74 N, 74 CA, 74 118.2 +/- 5 &rst iat= 1269, 1268, 1270, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 74 CA, 74 CB, 74 110.5 +/- 1.7 &rst iat= 1268, 1270, 1272, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 74 CA, 74 HA, 74 109.5 +/- 5 &rst iat= 1268, 1270, 1271, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 74 CA, 74 C, 74 111.2 +/- 2.8 &rst iat= 1268, 1270, 1283, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 74 CA, 74 CB, 74 109.5 +/- 5 &rst iat= 1271, 1270, 1272, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 74 CA, 74 C, 74 109.5 +/- 5 &rst iat= 1271, 1270, 1283, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 74 CA, 74 C, 74 110.1 +/- 1.9 &rst iat= 1272, 1270, 1283, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 74 C, 74 O, 74 120.8 +/- 1.7 &rst iat= 1270, 1283, 1284, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle THR O, 74 C, 74 N, 75 123.0 +/- 1.6 &rst iat= 1284, 1283, 1285, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle THR CA, 74 C, 74 N, 75 116.2 +/- 2.0 &rst iat= 1270, 1283, 1285, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle THR C, 74 N, 75 CA, 75 121.7 +/- 1.8 &rst iat= 1283, 1285, 1287, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle THR C, 74 N, 75 H, 75 119.5 +/- 5 &rst iat= 1283, 1285, 1286, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle THR H, 75 N, 75 CA, 75 118.2 +/- 5 &rst iat= 1286, 1285, 1287, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle THR N, 75 CA, 75 CB, 75 111.5 +/- 1.7 &rst iat= 1285, 1287, 1289, r1= 109.8, r2= 111.5, r3= 111.5, r4= 113.2, &end # angle THR N, 75 CA, 75 HA, 75 109.5 +/- 5 &rst iat= 1285, 1287, 1288, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR N, 75 CA, 75 C, 75 111.2 +/- 2.8 &rst iat= 1285, 1287, 1297, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle THR HA, 75 CA, 75 CB, 75 109.5 +/- 5 &rst iat= 1288, 1287, 1289, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR HA, 75 CA, 75 C, 75 109.5 +/- 5 &rst iat= 1288, 1287, 1297, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle THR CB, 75 CA, 75 C, 75 109.1 +/- 2.2 &rst iat= 1289, 1287, 1297, r1= 106.9, r2= 109.1, r3= 109.1, r4= 111.3, &end # angle THR CA, 75 C, 75 O, 75 120.8 +/- 1.7 &rst iat= 1287, 1297, 1298, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLY O, 75 C, 75 N, 76 123.0 +/- 1.6 &rst iat= 1298, 1297, 1299, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLY CA, 75 C, 75 N, 76 116.2 +/- 2.0 &rst iat= 1287, 1297, 1299, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLY C, 75 N, 76 CA, 76 120.6 +/- 1.7 &rst iat= 1297, 1299, 1301, r1= 118.9, r2= 120.6, r3= 120.6, r4= 122.3, &end # angle GLY C, 75 N, 76 H, 76 119.5 +/- 5 &rst iat= 1297, 1299, 1300, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLY H, 76 N, 76 CA, 76 118.2 +/- 5 &rst iat= 1300, 1299, 1301, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLY N, 76 CA, 76 HA2, 76 109.5 +/- 5 &rst iat= 1299, 1301, 1302, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 76 CA, 76 HA3, 76 109.5 +/- 5 &rst iat= 1299, 1301, 1303, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 76 CA, 76 C, 76 112.5 +/- 2.9 &rst iat= 1299, 1301, 1304, r1= 109.6, r2= 112.5, r3= 112.5, r4= 115.4, &end # angle GLY HA2, 76 CA, 76 HA3, 76 109.5 +/- 5 &rst iat= 1302, 1301, 1303, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA2, 76 CA, 76 C, 76 109.5 +/- 5 &rst iat= 1302, 1301, 1304, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA3, 76 CA, 76 C, 76 109.5 +/- 5 &rst iat= 1303, 1301, 1304, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY CA, 76 C, 76 O, 76 120.8 +/- 2.1 &rst iat= 1301, 1304, 1305, r1= 118.7, r2= 120.8, r3= 120.8, r4= 122.9, &end # angle GLU O, 76 C, 76 N, 77 123.0 +/- 1.6 &rst iat= 1305, 1304, 1306, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLU CA, 76 C, 76 N, 77 116.2 +/- 2.0 &rst iat= 1301, 1304, 1306, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLU C, 76 N, 77 CA, 77 121.7 +/- 1.8 &rst iat= 1304, 1306, 1308, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLU C, 76 N, 77 H, 77 119.5 +/- 5 &rst iat= 1304, 1306, 1307, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLU H, 77 N, 77 CA, 77 118.2 +/- 5 &rst iat= 1307, 1306, 1308, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLU N, 77 CA, 77 CB, 77 110.5 +/- 1.7 &rst iat= 1306, 1308, 1310, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLU N, 77 CA, 77 HA, 77 109.5 +/- 5 &rst iat= 1306, 1308, 1309, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU N, 77 CA, 77 C, 77 111.2 +/- 2.8 &rst iat= 1306, 1308, 1319, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLU HA, 77 CA, 77 CB, 77 109.5 +/- 5 &rst iat= 1309, 1308, 1310, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU HA, 77 CA, 77 C, 77 109.5 +/- 5 &rst iat= 1309, 1308, 1319, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLU CB, 77 CA, 77 C, 77 110.1 +/- 1.9 &rst iat= 1310, 1308, 1319, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLU CA, 77 C, 77 O, 77 120.8 +/- 1.7 &rst iat= 1308, 1319, 1320, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 77 C, 77 N, 78 123.0 +/- 1.6 &rst iat= 1320, 1319, 1321, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 77 C, 77 N, 78 116.2 +/- 2.0 &rst iat= 1308, 1319, 1321, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 77 N, 78 CA, 78 121.7 +/- 1.8 &rst iat= 1319, 1321, 1323, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 77 N, 78 H, 78 119.5 +/- 5 &rst iat= 1319, 1321, 1322, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 78 N, 78 CA, 78 118.2 +/- 5 &rst iat= 1322, 1321, 1323, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 78 CA, 78 CB, 78 110.5 +/- 1.7 &rst iat= 1321, 1323, 1325, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 78 CA, 78 HA, 78 109.5 +/- 5 &rst iat= 1321, 1323, 1324, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 78 CA, 78 C, 78 111.2 +/- 2.8 &rst iat= 1321, 1323, 1343, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 78 CA, 78 CB, 78 109.5 +/- 5 &rst iat= 1324, 1323, 1325, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 78 CA, 78 C, 78 109.5 +/- 5 &rst iat= 1324, 1323, 1343, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 78 CA, 78 C, 78 110.1 +/- 1.9 &rst iat= 1325, 1323, 1343, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 78 C, 78 O, 78 120.8 +/- 1.7 &rst iat= 1323, 1343, 1344, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 78 C, 78 N, 79 123.0 +/- 1.6 &rst iat= 1344, 1343, 1345, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 78 C, 78 N, 79 116.2 +/- 2.0 &rst iat= 1323, 1343, 1345, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 78 N, 79 CA, 79 121.7 +/- 1.8 &rst iat= 1343, 1345, 1347, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 78 N, 79 H, 79 119.5 +/- 5 &rst iat= 1343, 1345, 1346, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 79 N, 79 CA, 79 118.2 +/- 5 &rst iat= 1346, 1345, 1347, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 79 CA, 79 CB, 79 110.5 +/- 1.7 &rst iat= 1345, 1347, 1349, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 79 CA, 79 HA, 79 109.5 +/- 5 &rst iat= 1345, 1347, 1348, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 79 CA, 79 C, 79 111.2 +/- 2.8 &rst iat= 1345, 1347, 1367, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 79 CA, 79 CB, 79 109.5 +/- 5 &rst iat= 1348, 1347, 1349, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 79 CA, 79 C, 79 109.5 +/- 5 &rst iat= 1348, 1347, 1367, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 79 CA, 79 C, 79 110.1 +/- 1.9 &rst iat= 1349, 1347, 1367, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 79 C, 79 O, 79 120.8 +/- 1.7 &rst iat= 1347, 1367, 1368, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 79 C, 79 N, 80 123.0 +/- 1.6 &rst iat= 1368, 1367, 1369, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 79 C, 79 N, 80 116.2 +/- 2.0 &rst iat= 1347, 1367, 1369, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 79 N, 80 CA, 80 121.7 +/- 1.8 &rst iat= 1367, 1369, 1371, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 79 N, 80 H, 80 119.5 +/- 5 &rst iat= 1367, 1369, 1370, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 80 N, 80 CA, 80 118.2 +/- 5 &rst iat= 1370, 1369, 1371, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 80 CA, 80 CB, 80 110.5 +/- 1.7 &rst iat= 1369, 1371, 1373, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 80 CA, 80 HA, 80 109.5 +/- 5 &rst iat= 1369, 1371, 1372, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 80 CA, 80 C, 80 111.2 +/- 2.8 &rst iat= 1369, 1371, 1388, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 80 CA, 80 CB, 80 109.5 +/- 5 &rst iat= 1372, 1371, 1373, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 80 CA, 80 C, 80 109.5 +/- 5 &rst iat= 1372, 1371, 1388, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 80 CA, 80 C, 80 110.1 +/- 1.9 &rst iat= 1373, 1371, 1388, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 80 C, 80 O, 80 120.8 +/- 1.7 &rst iat= 1371, 1388, 1389, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLN O, 80 C, 80 N, 81 123.0 +/- 1.6 &rst iat= 1389, 1388, 1390, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLN CA, 80 C, 80 N, 81 116.2 +/- 2.0 &rst iat= 1371, 1388, 1390, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLN C, 80 N, 81 CA, 81 121.7 +/- 1.8 &rst iat= 1388, 1390, 1392, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLN C, 80 N, 81 H, 81 119.5 +/- 5 &rst iat= 1388, 1390, 1391, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLN H, 81 N, 81 CA, 81 118.2 +/- 5 &rst iat= 1391, 1390, 1392, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLN N, 81 CA, 81 CB, 81 110.5 +/- 1.7 &rst iat= 1390, 1392, 1394, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLN N, 81 CA, 81 HA, 81 109.5 +/- 5 &rst iat= 1390, 1392, 1393, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN N, 81 CA, 81 C, 81 111.2 +/- 2.8 &rst iat= 1390, 1392, 1405, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLN HA, 81 CA, 81 CB, 81 109.5 +/- 5 &rst iat= 1393, 1392, 1394, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN HA, 81 CA, 81 C, 81 109.5 +/- 5 &rst iat= 1393, 1392, 1405, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN CB, 81 CA, 81 C, 81 110.1 +/- 1.9 &rst iat= 1394, 1392, 1405, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLN CA, 81 C, 81 O, 81 120.8 +/- 1.7 &rst iat= 1392, 1405, 1406, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 81 C, 81 N, 82 123.0 +/- 1.6 &rst iat= 1406, 1405, 1407, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 81 C, 81 N, 82 116.2 +/- 2.0 &rst iat= 1392, 1405, 1407, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 81 N, 82 CA, 82 121.7 +/- 1.8 &rst iat= 1405, 1407, 1409, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 81 N, 82 H, 82 119.5 +/- 5 &rst iat= 1405, 1407, 1408, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 82 N, 82 CA, 82 118.2 +/- 5 &rst iat= 1408, 1407, 1409, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 82 CA, 82 CB, 82 110.5 +/- 1.7 &rst iat= 1407, 1409, 1411, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 82 CA, 82 HA, 82 109.5 +/- 5 &rst iat= 1407, 1409, 1410, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 82 CA, 82 C, 82 111.2 +/- 2.8 &rst iat= 1407, 1409, 1415, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 82 CA, 82 CB, 82 109.5 +/- 5 &rst iat= 1410, 1409, 1411, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 82 CA, 82 C, 82 109.5 +/- 5 &rst iat= 1410, 1409, 1415, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 82 CA, 82 C, 82 110.1 +/- 1.9 &rst iat= 1411, 1409, 1415, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 82 C, 82 O, 82 120.8 +/- 1.7 &rst iat= 1409, 1415, 1416, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 82 C, 82 N, 83 123.0 +/- 1.6 &rst iat= 1416, 1415, 1417, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 82 C, 82 N, 83 116.2 +/- 2.0 &rst iat= 1409, 1415, 1417, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 82 N, 83 CA, 83 121.7 +/- 1.8 &rst iat= 1415, 1417, 1419, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 82 N, 83 H, 83 119.5 +/- 5 &rst iat= 1415, 1417, 1418, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 83 N, 83 CA, 83 118.2 +/- 5 &rst iat= 1418, 1417, 1419, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 83 CA, 83 CB, 83 110.5 +/- 1.7 &rst iat= 1417, 1419, 1421, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 83 CA, 83 HA, 83 109.5 +/- 5 &rst iat= 1417, 1419, 1420, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 83 CA, 83 C, 83 111.2 +/- 2.8 &rst iat= 1417, 1419, 1434, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 83 CA, 83 CB, 83 109.5 +/- 5 &rst iat= 1420, 1419, 1421, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 83 CA, 83 C, 83 109.5 +/- 5 &rst iat= 1420, 1419, 1434, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 83 CA, 83 C, 83 110.1 +/- 1.9 &rst iat= 1421, 1419, 1434, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 83 C, 83 O, 83 120.8 +/- 1.7 &rst iat= 1419, 1434, 1435, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ALA O, 83 C, 83 N, 84 123.0 +/- 1.6 &rst iat= 1435, 1434, 1436, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ALA CA, 83 C, 83 N, 84 116.2 +/- 2.0 &rst iat= 1419, 1434, 1436, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ALA C, 83 N, 84 CA, 84 121.7 +/- 1.8 &rst iat= 1434, 1436, 1438, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ALA C, 83 N, 84 H, 84 119.5 +/- 5 &rst iat= 1434, 1436, 1437, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ALA H, 84 N, 84 CA, 84 118.2 +/- 5 &rst iat= 1437, 1436, 1438, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ALA N, 84 CA, 84 CB, 84 110.4 +/- 1.5 &rst iat= 1436, 1438, 1440, r1= 108.9, r2= 110.4, r3= 110.4, r4= 111.9, &end # angle ALA N, 84 CA, 84 HA, 84 109.5 +/- 5 &rst iat= 1436, 1438, 1439, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA N, 84 CA, 84 C, 84 111.2 +/- 2.8 &rst iat= 1436, 1438, 1444, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ALA HA, 84 CA, 84 CB, 84 109.5 +/- 5 &rst iat= 1439, 1438, 1440, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA HA, 84 CA, 84 C, 84 109.5 +/- 5 &rst iat= 1439, 1438, 1444, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA CB, 84 CA, 84 C, 84 110.5 +/- 1.5 &rst iat= 1440, 1438, 1444, r1= 109, r2= 110.5, r3= 110.5, r4= 112, &end # angle ALA CA, 84 C, 84 O, 84 120.8 +/- 1.7 &rst iat= 1438, 1444, 1445, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYM O, 84 C, 84 N, 85 123.0 +/- 1.6 &rst iat= 1445, 1444, 1446, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYM CA, 84 C, 84 N, 85 116.2 +/- 2.0 &rst iat= 1438, 1444, 1446, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYM C, 84 N, 85 CA, 85 121.7 +/- 1.8 &rst iat= 1444, 1446, 1448, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYM C, 84 N, 85 H, 85 119.5 +/- 5 &rst iat= 1444, 1446, 1447, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYM H, 85 N, 85 CA, 85 118.2 +/- 5 &rst iat= 1447, 1446, 1448, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYM N, 85 CA, 85 CB, 85 110.5 +/- 1.7 &rst iat= 1446, 1448, 1450, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYM N, 85 CA, 85 HA, 85 109.5 +/- 5 &rst iat= 1446, 1448, 1449, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM N, 85 CA, 85 C, 85 111.2 +/- 2.8 &rst iat= 1446, 1448, 1454, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYM HA, 85 CA, 85 CB, 85 109.5 +/- 5 &rst iat= 1449, 1448, 1450, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM HA, 85 CA, 85 C, 85 109.5 +/- 5 &rst iat= 1449, 1448, 1454, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYM CB, 85 CA, 85 C, 85 110.1 +/- 1.9 &rst iat= 1450, 1448, 1454, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYM CA, 85 C, 85 O, 85 120.8 +/- 1.7 &rst iat= 1448, 1454, 1455, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLY O, 85 C, 85 N, 86 123.0 +/- 1.6 &rst iat= 1455, 1454, 1456, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLY CA, 85 C, 85 N, 86 116.2 +/- 2.0 &rst iat= 1448, 1454, 1456, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLY C, 85 N, 86 CA, 86 120.6 +/- 1.7 &rst iat= 1454, 1456, 1458, r1= 118.9, r2= 120.6, r3= 120.6, r4= 122.3, &end # angle GLY C, 85 N, 86 H, 86 119.5 +/- 5 &rst iat= 1454, 1456, 1457, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLY H, 86 N, 86 CA, 86 118.2 +/- 5 &rst iat= 1457, 1456, 1458, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLY N, 86 CA, 86 HA2, 86 109.5 +/- 5 &rst iat= 1456, 1458, 1459, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 86 CA, 86 HA3, 86 109.5 +/- 5 &rst iat= 1456, 1458, 1460, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 86 CA, 86 C, 86 112.5 +/- 2.9 &rst iat= 1456, 1458, 1461, r1= 109.6, r2= 112.5, r3= 112.5, r4= 115.4, &end # angle GLY HA2, 86 CA, 86 HA3, 86 109.5 +/- 5 &rst iat= 1459, 1458, 1460, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA2, 86 CA, 86 C, 86 109.5 +/- 5 &rst iat= 1459, 1458, 1461, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA3, 86 CA, 86 C, 86 109.5 +/- 5 &rst iat= 1460, 1458, 1461, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY CA, 86 C, 86 O, 86 120.8 +/- 2.1 &rst iat= 1458, 1461, 1462, r1= 118.7, r2= 120.8, r3= 120.8, r4= 122.9, &end # angle LYS O, 86 C, 86 N, 87 123.0 +/- 1.6 &rst iat= 1462, 1461, 1463, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 86 C, 86 N, 87 116.2 +/- 2.0 &rst iat= 1458, 1461, 1463, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 86 N, 87 CA, 87 121.7 +/- 1.8 &rst iat= 1461, 1463, 1465, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 86 N, 87 H, 87 119.5 +/- 5 &rst iat= 1461, 1463, 1464, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 87 N, 87 CA, 87 118.2 +/- 5 &rst iat= 1464, 1463, 1465, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 87 CA, 87 CB, 87 110.5 +/- 1.7 &rst iat= 1463, 1465, 1467, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 87 CA, 87 HA, 87 109.5 +/- 5 &rst iat= 1463, 1465, 1466, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 87 CA, 87 C, 87 111.2 +/- 2.8 &rst iat= 1463, 1465, 1483, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 87 CA, 87 CB, 87 109.5 +/- 5 &rst iat= 1466, 1465, 1467, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 87 CA, 87 C, 87 109.5 +/- 5 &rst iat= 1466, 1465, 1483, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 87 CA, 87 C, 87 110.1 +/- 1.9 &rst iat= 1467, 1465, 1483, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 87 C, 87 O, 87 120.8 +/- 1.7 &rst iat= 1465, 1483, 1484, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 87 C, 87 N, 88 123.0 +/- 1.6 &rst iat= 1484, 1483, 1485, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 87 C, 87 N, 88 116.2 +/- 2.0 &rst iat= 1465, 1483, 1485, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 87 N, 88 CA, 88 121.7 +/- 1.8 &rst iat= 1483, 1485, 1487, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 87 N, 88 H, 88 119.5 +/- 5 &rst iat= 1483, 1485, 1486, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 88 N, 88 CA, 88 118.2 +/- 5 &rst iat= 1486, 1485, 1487, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 88 CA, 88 CB, 88 110.5 +/- 1.7 &rst iat= 1485, 1487, 1489, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 88 CA, 88 HA, 88 109.5 +/- 5 &rst iat= 1485, 1487, 1488, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 88 CA, 88 C, 88 111.2 +/- 2.8 &rst iat= 1485, 1487, 1494, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 88 CA, 88 CB, 88 109.5 +/- 5 &rst iat= 1488, 1487, 1489, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 88 CA, 88 C, 88 109.5 +/- 5 &rst iat= 1488, 1487, 1494, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 88 CA, 88 C, 88 110.1 +/- 1.9 &rst iat= 1489, 1487, 1494, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 88 C, 88 O, 88 120.8 +/- 1.7 &rst iat= 1487, 1494, 1495, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PHE O, 88 C, 88 N, 89 123.0 +/- 1.6 &rst iat= 1495, 1494, 1496, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle PHE CA, 88 C, 88 N, 89 116.2 +/- 2.0 &rst iat= 1487, 1494, 1496, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle PHE C, 88 N, 89 CA, 89 121.7 +/- 1.8 &rst iat= 1494, 1496, 1498, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle PHE C, 88 N, 89 H, 89 119.5 +/- 5 &rst iat= 1494, 1496, 1497, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle PHE H, 89 N, 89 CA, 89 118.2 +/- 5 &rst iat= 1497, 1496, 1498, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle PHE N, 89 CA, 89 CB, 89 110.5 +/- 1.7 &rst iat= 1496, 1498, 1500, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle PHE N, 89 CA, 89 HA, 89 109.5 +/- 5 &rst iat= 1496, 1498, 1499, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE N, 89 CA, 89 C, 89 111.2 +/- 2.8 &rst iat= 1496, 1498, 1514, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle PHE HA, 89 CA, 89 CB, 89 109.5 +/- 5 &rst iat= 1499, 1498, 1500, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE HA, 89 CA, 89 C, 89 109.5 +/- 5 &rst iat= 1499, 1498, 1514, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE CB, 89 CA, 89 C, 89 110.1 +/- 1.9 &rst iat= 1500, 1498, 1514, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PHE CA, 89 C, 89 O, 89 120.8 +/- 1.7 &rst iat= 1498, 1514, 1515, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 89 C, 89 N, 90 123.0 +/- 1.6 &rst iat= 1515, 1514, 1516, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 89 C, 89 N, 90 116.2 +/- 2.0 &rst iat= 1498, 1514, 1516, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 89 N, 90 CA, 90 121.7 +/- 1.8 &rst iat= 1514, 1516, 1518, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 89 N, 90 H, 90 119.5 +/- 5 &rst iat= 1514, 1516, 1517, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 90 N, 90 CA, 90 118.2 +/- 5 &rst iat= 1517, 1516, 1518, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 90 CA, 90 CB, 90 110.5 +/- 1.7 &rst iat= 1516, 1518, 1520, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 90 CA, 90 HA, 90 109.5 +/- 5 &rst iat= 1516, 1518, 1519, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 90 CA, 90 C, 90 111.2 +/- 2.8 &rst iat= 1516, 1518, 1533, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 90 CA, 90 CB, 90 109.5 +/- 5 &rst iat= 1519, 1518, 1520, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 90 CA, 90 C, 90 109.5 +/- 5 &rst iat= 1519, 1518, 1533, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 90 CA, 90 C, 90 110.1 +/- 1.9 &rst iat= 1520, 1518, 1533, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 90 C, 90 O, 90 120.8 +/- 1.7 &rst iat= 1518, 1533, 1534, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASN O, 90 C, 90 N, 91 123.0 +/- 1.6 &rst iat= 1534, 1533, 1535, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASN CA, 90 C, 90 N, 91 116.2 +/- 2.0 &rst iat= 1518, 1533, 1535, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASN C, 90 N, 91 CA, 91 121.7 +/- 1.8 &rst iat= 1533, 1535, 1537, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASN C, 90 N, 91 H, 91 119.5 +/- 5 &rst iat= 1533, 1535, 1536, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASN H, 91 N, 91 CA, 91 118.2 +/- 5 &rst iat= 1536, 1535, 1537, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASN N, 91 CA, 91 CB, 91 110.5 +/- 1.7 &rst iat= 1535, 1537, 1539, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASN N, 91 CA, 91 HA, 91 109.5 +/- 5 &rst iat= 1535, 1537, 1538, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN N, 91 CA, 91 C, 91 111.2 +/- 2.8 &rst iat= 1535, 1537, 1547, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASN HA, 91 CA, 91 CB, 91 109.5 +/- 5 &rst iat= 1538, 1537, 1539, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN HA, 91 CA, 91 C, 91 109.5 +/- 5 &rst iat= 1538, 1537, 1547, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASN CB, 91 CA, 91 C, 91 110.1 +/- 1.9 &rst iat= 1539, 1537, 1547, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASN CA, 91 C, 91 O, 91 120.8 +/- 1.7 &rst iat= 1537, 1547, 1548, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 91 C, 91 N, 92 123.0 +/- 1.6 &rst iat= 1548, 1547, 1549, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 91 C, 91 N, 92 116.2 +/- 2.0 &rst iat= 1537, 1547, 1549, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 91 N, 92 CA, 92 121.7 +/- 1.8 &rst iat= 1547, 1549, 1551, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 91 N, 92 H, 92 119.5 +/- 5 &rst iat= 1547, 1549, 1550, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 92 N, 92 CA, 92 118.2 +/- 5 &rst iat= 1550, 1549, 1551, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 92 CA, 92 CB, 92 110.5 +/- 1.7 &rst iat= 1549, 1551, 1553, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 92 CA, 92 HA, 92 109.5 +/- 5 &rst iat= 1549, 1551, 1552, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 92 CA, 92 C, 92 111.2 +/- 2.8 &rst iat= 1549, 1551, 1568, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 92 CA, 92 CB, 92 109.5 +/- 5 &rst iat= 1552, 1551, 1553, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 92 CA, 92 C, 92 109.5 +/- 5 &rst iat= 1552, 1551, 1568, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 92 CA, 92 C, 92 110.1 +/- 1.9 &rst iat= 1553, 1551, 1568, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 92 C, 92 O, 92 120.8 +/- 1.7 &rst iat= 1551, 1568, 1569, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLN O, 92 C, 92 N, 93 123.0 +/- 1.6 &rst iat= 1569, 1568, 1570, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLN CA, 92 C, 92 N, 93 116.2 +/- 2.0 &rst iat= 1551, 1568, 1570, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLN C, 92 N, 93 CA, 93 121.7 +/- 1.8 &rst iat= 1568, 1570, 1572, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLN C, 92 N, 93 H, 93 119.5 +/- 5 &rst iat= 1568, 1570, 1571, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLN H, 93 N, 93 CA, 93 118.2 +/- 5 &rst iat= 1571, 1570, 1572, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLN N, 93 CA, 93 CB, 93 110.5 +/- 1.7 &rst iat= 1570, 1572, 1574, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLN N, 93 CA, 93 HA, 93 109.5 +/- 5 &rst iat= 1570, 1572, 1573, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN N, 93 CA, 93 C, 93 111.2 +/- 2.8 &rst iat= 1570, 1572, 1585, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLN HA, 93 CA, 93 CB, 93 109.5 +/- 5 &rst iat= 1573, 1572, 1574, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN HA, 93 CA, 93 C, 93 109.5 +/- 5 &rst iat= 1573, 1572, 1585, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN CB, 93 CA, 93 C, 93 110.1 +/- 1.9 &rst iat= 1574, 1572, 1585, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLN CA, 93 C, 93 O, 93 120.8 +/- 1.7 &rst iat= 1572, 1585, 1586, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PHE O, 93 C, 93 N, 94 123.0 +/- 1.6 &rst iat= 1586, 1585, 1587, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle PHE CA, 93 C, 93 N, 94 116.2 +/- 2.0 &rst iat= 1572, 1585, 1587, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle PHE C, 93 N, 94 CA, 94 121.7 +/- 1.8 &rst iat= 1585, 1587, 1589, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle PHE C, 93 N, 94 H, 94 119.5 +/- 5 &rst iat= 1585, 1587, 1588, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle PHE H, 94 N, 94 CA, 94 118.2 +/- 5 &rst iat= 1588, 1587, 1589, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle PHE N, 94 CA, 94 CB, 94 110.5 +/- 1.7 &rst iat= 1587, 1589, 1591, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle PHE N, 94 CA, 94 HA, 94 109.5 +/- 5 &rst iat= 1587, 1589, 1590, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE N, 94 CA, 94 C, 94 111.2 +/- 2.8 &rst iat= 1587, 1589, 1605, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle PHE HA, 94 CA, 94 CB, 94 109.5 +/- 5 &rst iat= 1590, 1589, 1591, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE HA, 94 CA, 94 C, 94 109.5 +/- 5 &rst iat= 1590, 1589, 1605, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PHE CB, 94 CA, 94 C, 94 110.1 +/- 1.9 &rst iat= 1591, 1589, 1605, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PHE CA, 94 C, 94 O, 94 120.8 +/- 1.7 &rst iat= 1589, 1605, 1606, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle MET O, 94 C, 94 N, 95 123.0 +/- 1.6 &rst iat= 1606, 1605, 1607, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle MET CA, 94 C, 94 N, 95 116.2 +/- 2.0 &rst iat= 1589, 1605, 1607, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle MET C, 94 N, 95 CA, 95 121.7 +/- 1.8 &rst iat= 1605, 1607, 1609, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle MET C, 94 N, 95 H, 95 119.5 +/- 5 &rst iat= 1605, 1607, 1608, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle MET H, 95 N, 95 CA, 95 118.2 +/- 5 &rst iat= 1608, 1607, 1609, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle MET N, 95 CA, 95 CB, 95 110.5 +/- 1.7 &rst iat= 1607, 1609, 1611, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle MET N, 95 CA, 95 HA, 95 109.5 +/- 5 &rst iat= 1607, 1609, 1610, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET N, 95 CA, 95 C, 95 111.2 +/- 2.8 &rst iat= 1607, 1609, 1622, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle MET HA, 95 CA, 95 CB, 95 109.5 +/- 5 &rst iat= 1610, 1609, 1611, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET HA, 95 CA, 95 C, 95 109.5 +/- 5 &rst iat= 1610, 1609, 1622, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle MET CB, 95 CA, 95 C, 95 110.1 +/- 1.9 &rst iat= 1611, 1609, 1622, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle MET CA, 95 C, 95 O, 95 120.8 +/- 1.7 &rst iat= 1609, 1622, 1623, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 95 C, 95 N, 96 123.0 +/- 1.6 &rst iat= 1623, 1622, 1624, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 95 C, 95 N, 96 116.2 +/- 2.0 &rst iat= 1609, 1622, 1624, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 95 N, 96 CA, 96 121.7 +/- 1.8 &rst iat= 1622, 1624, 1626, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 95 N, 96 H, 96 119.5 +/- 5 &rst iat= 1622, 1624, 1625, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 96 N, 96 CA, 96 118.2 +/- 5 &rst iat= 1625, 1624, 1626, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 96 CA, 96 CB, 96 110.5 +/- 1.7 &rst iat= 1624, 1626, 1628, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 96 CA, 96 HA, 96 109.5 +/- 5 &rst iat= 1624, 1626, 1627, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 96 CA, 96 C, 96 111.2 +/- 2.8 &rst iat= 1624, 1626, 1633, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 96 CA, 96 CB, 96 109.5 +/- 5 &rst iat= 1627, 1626, 1628, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 96 CA, 96 C, 96 109.5 +/- 5 &rst iat= 1627, 1626, 1633, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 96 CA, 96 C, 96 110.1 +/- 1.9 &rst iat= 1628, 1626, 1633, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 96 C, 96 O, 96 120.8 +/- 1.7 &rst iat= 1626, 1633, 1634, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 96 C, 96 N, 97 123.0 +/- 1.6 &rst iat= 1634, 1633, 1635, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 96 C, 96 N, 97 116.2 +/- 2.0 &rst iat= 1626, 1633, 1635, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 96 N, 97 CA, 97 121.7 +/- 1.8 &rst iat= 1633, 1635, 1637, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 96 N, 97 H, 97 119.5 +/- 5 &rst iat= 1633, 1635, 1636, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 97 N, 97 CA, 97 118.2 +/- 5 &rst iat= 1636, 1635, 1637, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 97 CA, 97 CB, 97 110.5 +/- 1.7 &rst iat= 1635, 1637, 1639, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 97 CA, 97 HA, 97 109.5 +/- 5 &rst iat= 1635, 1637, 1638, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 97 CA, 97 C, 97 111.2 +/- 2.8 &rst iat= 1635, 1637, 1644, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 97 CA, 97 CB, 97 109.5 +/- 5 &rst iat= 1638, 1637, 1639, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 97 CA, 97 C, 97 109.5 +/- 5 &rst iat= 1638, 1637, 1644, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 97 CA, 97 C, 97 110.1 +/- 1.9 &rst iat= 1639, 1637, 1644, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 97 C, 97 O, 97 120.8 +/- 1.7 &rst iat= 1637, 1644, 1645, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 97 C, 97 N, 98 123.0 +/- 1.6 &rst iat= 1645, 1644, 1646, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 97 C, 97 N, 98 116.2 +/- 2.0 &rst iat= 1637, 1644, 1646, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 97 N, 98 CA, 98 121.7 +/- 1.8 &rst iat= 1644, 1646, 1648, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 97 N, 98 H, 98 119.5 +/- 5 &rst iat= 1644, 1646, 1647, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 98 N, 98 CA, 98 118.2 +/- 5 &rst iat= 1647, 1646, 1648, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 98 CA, 98 CB, 98 110.5 +/- 1.7 &rst iat= 1646, 1648, 1650, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 98 CA, 98 HA, 98 109.5 +/- 5 &rst iat= 1646, 1648, 1649, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 98 CA, 98 C, 98 111.2 +/- 2.8 &rst iat= 1646, 1648, 1661, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 98 CA, 98 CB, 98 109.5 +/- 5 &rst iat= 1649, 1648, 1650, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 98 CA, 98 C, 98 109.5 +/- 5 &rst iat= 1649, 1648, 1661, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 98 CA, 98 C, 98 110.1 +/- 1.9 &rst iat= 1650, 1648, 1661, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 98 C, 98 O, 98 120.8 +/- 1.7 &rst iat= 1648, 1661, 1662, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 98 C, 98 N, 99 123.0 +/- 1.6 &rst iat= 1662, 1661, 1663, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 98 C, 98 N, 99 116.2 +/- 2.0 &rst iat= 1648, 1661, 1663, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 98 N, 99 CA, 99 121.7 +/- 1.8 &rst iat= 1661, 1663, 1665, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 98 N, 99 H, 99 119.5 +/- 5 &rst iat= 1661, 1663, 1664, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 99 N, 99 CA, 99 118.2 +/- 5 &rst iat= 1664, 1663, 1665, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 99 CA, 99 CB, 99 110.5 +/- 1.7 &rst iat= 1663, 1665, 1667, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 99 CA, 99 HA, 99 109.5 +/- 5 &rst iat= 1663, 1665, 1666, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 99 CA, 99 C, 99 111.2 +/- 2.8 &rst iat= 1663, 1665, 1680, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 99 CA, 99 CB, 99 109.5 +/- 5 &rst iat= 1666, 1665, 1667, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 99 CA, 99 C, 99 109.5 +/- 5 &rst iat= 1666, 1665, 1680, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 99 CA, 99 C, 99 110.1 +/- 1.9 &rst iat= 1667, 1665, 1680, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 99 C, 99 O, 99 120.8 +/- 1.7 &rst iat= 1665, 1680, 1681, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 99 C, 99 N, 100 123.0 +/- 1.6 &rst iat= 1681, 1680, 1682, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 99 C, 99 N, 100 116.2 +/- 2.0 &rst iat= 1665, 1680, 1682, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 99 N, 100 CA, 100 121.7 +/- 1.8 &rst iat= 1680, 1682, 1684, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 99 N, 100 H, 100 119.5 +/- 5 &rst iat= 1680, 1682, 1683, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 100 N, 100 CA, 100 118.2 +/- 5 &rst iat= 1683, 1682, 1684, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 100 CA, 100 CB, 100 110.5 +/- 1.7 &rst iat= 1682, 1684, 1686, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 100 CA, 100 HA, 100 109.5 +/- 5 &rst iat= 1682, 1684, 1685, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 100 CA, 100 C, 100 111.2 +/- 2.8 &rst iat= 1682, 1684, 1702, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 100 CA, 100 CB, 100 109.5 +/- 5 &rst iat= 1685, 1684, 1686, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 100 CA, 100 C, 100 109.5 +/- 5 &rst iat= 1685, 1684, 1702, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 100 CA, 100 C, 100 110.1 +/- 1.9 &rst iat= 1686, 1684, 1702, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 100 C, 100 O, 100 120.8 +/- 1.7 &rst iat= 1684, 1702, 1703, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 100 C, 100 N, 101 123.0 +/- 1.6 &rst iat= 1703, 1702, 1704, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 100 C, 100 N, 101 116.2 +/- 2.0 &rst iat= 1684, 1702, 1704, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 100 N, 101 CA, 101 121.7 +/- 1.8 &rst iat= 1702, 1704, 1706, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 100 N, 101 H, 101 119.5 +/- 5 &rst iat= 1702, 1704, 1705, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 101 N, 101 CA, 101 118.2 +/- 5 &rst iat= 1705, 1704, 1706, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 101 CA, 101 CB, 101 110.5 +/- 1.7 &rst iat= 1704, 1706, 1708, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 101 CA, 101 HA, 101 109.5 +/- 5 &rst iat= 1704, 1706, 1707, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 101 CA, 101 C, 101 111.2 +/- 2.8 &rst iat= 1704, 1706, 1713, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 101 CA, 101 CB, 101 109.5 +/- 5 &rst iat= 1707, 1706, 1708, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 101 CA, 101 C, 101 109.5 +/- 5 &rst iat= 1707, 1706, 1713, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 101 CA, 101 C, 101 110.1 +/- 1.9 &rst iat= 1708, 1706, 1713, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 101 C, 101 O, 101 120.8 +/- 1.7 &rst iat= 1706, 1713, 1714, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle VAL O, 101 C, 101 N, 102 123.0 +/- 1.6 &rst iat= 1714, 1713, 1715, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle VAL CA, 101 C, 101 N, 102 116.2 +/- 2.0 &rst iat= 1706, 1713, 1715, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle VAL C, 101 N, 102 CA, 102 121.7 +/- 1.8 &rst iat= 1713, 1715, 1717, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle VAL C, 101 N, 102 H, 102 119.5 +/- 5 &rst iat= 1713, 1715, 1716, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle VAL H, 102 N, 102 CA, 102 118.2 +/- 5 &rst iat= 1716, 1715, 1717, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle VAL N, 102 CA, 102 CB, 102 110.5 +/- 1.7 &rst iat= 1715, 1717, 1719, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle VAL N, 102 CA, 102 HA, 102 109.5 +/- 5 &rst iat= 1715, 1717, 1718, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL N, 102 CA, 102 C, 102 111.2 +/- 2.8 &rst iat= 1715, 1717, 1729, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle VAL HA, 102 CA, 102 CB, 102 109.5 +/- 5 &rst iat= 1718, 1717, 1719, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL HA, 102 CA, 102 C, 102 109.5 +/- 5 &rst iat= 1718, 1717, 1729, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle VAL CB, 102 CA, 102 C, 102 110.1 +/- 1.9 &rst iat= 1719, 1717, 1729, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle VAL CA, 102 C, 102 O, 102 120.8 +/- 1.7 &rst iat= 1717, 1729, 1730, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HID O, 102 C, 102 N, 103 123.0 +/- 1.6 &rst iat= 1730, 1729, 1731, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HID CA, 102 C, 102 N, 103 116.2 +/- 2.0 &rst iat= 1717, 1729, 1731, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HID C, 102 N, 103 CA, 103 121.7 +/- 1.8 &rst iat= 1729, 1731, 1733, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HID C, 102 N, 103 H, 103 119.5 +/- 5 &rst iat= 1729, 1731, 1732, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HID H, 103 N, 103 CA, 103 118.2 +/- 5 &rst iat= 1732, 1731, 1733, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HID N, 103 CA, 103 CB, 103 110.5 +/- 1.7 &rst iat= 1731, 1733, 1735, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HID N, 103 CA, 103 HA, 103 109.5 +/- 5 &rst iat= 1731, 1733, 1734, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID N, 103 CA, 103 C, 103 111.2 +/- 2.8 &rst iat= 1731, 1733, 1746, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HID HA, 103 CA, 103 CB, 103 109.5 +/- 5 &rst iat= 1734, 1733, 1735, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID HA, 103 CA, 103 C, 103 109.5 +/- 5 &rst iat= 1734, 1733, 1746, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HID CB, 103 CA, 103 C, 103 110.1 +/- 1.9 &rst iat= 1735, 1733, 1746, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HID CA, 103 C, 103 O, 103 120.8 +/- 1.7 &rst iat= 1733, 1746, 1747, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 103 C, 103 N, 104 123.0 +/- 1.6 &rst iat= 1747, 1746, 1748, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 103 C, 103 N, 104 116.2 +/- 2.0 &rst iat= 1733, 1746, 1748, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 103 N, 104 CA, 104 121.7 +/- 1.8 &rst iat= 1746, 1748, 1750, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 103 N, 104 H, 104 119.5 +/- 5 &rst iat= 1746, 1748, 1749, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 104 N, 104 CA, 104 118.2 +/- 5 &rst iat= 1749, 1748, 1750, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 104 CA, 104 CB, 104 110.5 +/- 1.7 &rst iat= 1748, 1750, 1752, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 104 CA, 104 HA, 104 109.5 +/- 5 &rst iat= 1748, 1750, 1751, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 104 CA, 104 C, 104 111.2 +/- 2.8 &rst iat= 1748, 1750, 1757, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 104 CA, 104 CB, 104 109.5 +/- 5 &rst iat= 1751, 1750, 1752, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 104 CA, 104 C, 104 109.5 +/- 5 &rst iat= 1751, 1750, 1757, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 104 CA, 104 C, 104 110.1 +/- 1.9 &rst iat= 1752, 1750, 1757, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 104 C, 104 O, 104 120.8 +/- 1.7 &rst iat= 1750, 1757, 1758, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLN O, 104 C, 104 N, 105 123.0 +/- 1.6 &rst iat= 1758, 1757, 1759, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLN CA, 104 C, 104 N, 105 116.2 +/- 2.0 &rst iat= 1750, 1757, 1759, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLN C, 104 N, 105 CA, 105 121.7 +/- 1.8 &rst iat= 1757, 1759, 1761, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLN C, 104 N, 105 H, 105 119.5 +/- 5 &rst iat= 1757, 1759, 1760, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLN H, 105 N, 105 CA, 105 118.2 +/- 5 &rst iat= 1760, 1759, 1761, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLN N, 105 CA, 105 CB, 105 110.5 +/- 1.7 &rst iat= 1759, 1761, 1763, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLN N, 105 CA, 105 HA, 105 109.5 +/- 5 &rst iat= 1759, 1761, 1762, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN N, 105 CA, 105 C, 105 111.2 +/- 2.8 &rst iat= 1759, 1761, 1774, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLN HA, 105 CA, 105 CB, 105 109.5 +/- 5 &rst iat= 1762, 1761, 1763, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN HA, 105 CA, 105 C, 105 109.5 +/- 5 &rst iat= 1762, 1761, 1774, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN CB, 105 CA, 105 C, 105 110.1 +/- 1.9 &rst iat= 1763, 1761, 1774, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLN CA, 105 C, 105 O, 105 120.8 +/- 1.7 &rst iat= 1761, 1774, 1775, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASP O, 105 C, 105 N, 106 123.0 +/- 1.6 &rst iat= 1775, 1774, 1776, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 105 C, 105 N, 106 116.2 +/- 2.0 &rst iat= 1761, 1774, 1776, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 105 N, 106 CA, 106 121.7 +/- 1.8 &rst iat= 1774, 1776, 1778, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 105 N, 106 H, 106 119.5 +/- 5 &rst iat= 1774, 1776, 1777, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 106 N, 106 CA, 106 118.2 +/- 5 &rst iat= 1777, 1776, 1778, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 106 CA, 106 CB, 106 110.5 +/- 1.7 &rst iat= 1776, 1778, 1780, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 106 CA, 106 HA, 106 109.5 +/- 5 &rst iat= 1776, 1778, 1779, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 106 CA, 106 C, 106 111.2 +/- 2.8 &rst iat= 1776, 1778, 1786, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 106 CA, 106 CB, 106 109.5 +/- 5 &rst iat= 1779, 1778, 1780, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 106 CA, 106 C, 106 109.5 +/- 5 &rst iat= 1779, 1778, 1786, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 106 CA, 106 C, 106 110.1 +/- 1.9 &rst iat= 1780, 1778, 1786, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 106 C, 106 O, 106 120.8 +/- 1.7 &rst iat= 1778, 1786, 1787, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PRO O, 106 C, 106 N, 107 122.0 +/- 1.4 &rst iat= 1787, 1786, 1788, r1= 120.6, r2= 122.0, r3= 122.0, r4= 123.4, &end # angle PRO CA, 106 C, 106 N, 107 116.9 +/- 1.5 &rst iat= 1778, 1786, 1788, r1= 115.4, r2= 116.9, r3= 116.9, r4= 118.4, &end # angle PRO C, 106 N, 107 CA, 107 122.6 +/- 5.0 &rst iat= 1786, 1788, 1798, r1= 117.6, r2= 122.6, r3= 122.6, r4= 127.6, &end # angle PRO C, 106 N, 107 CD, 107 125.0 +/- 5 &rst iat= 1786, 1788, 1789, r1= 120, r2= 125.0, r3= 125.0, r4= 130, &end # angle PRO CD, 107 N, 107 CA, 107 112.0 +/- 5 &rst iat= 1789, 1788, 1798, r1= 107, r2= 112.0, r3= 112.0, r4= 117, &end # angle PRO N, 107 CA, 107 CB, 107 103.0 +/- 1.1 &rst iat= 1788, 1798, 1795, r1= 101.9, r2= 103.0, r3= 103.0, r4= 104.1, &end # angle PRO N, 107 CA, 107 HA, 107 109.5 +/- 5 &rst iat= 1788, 1798, 1799, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO N, 107 CA, 107 C, 107 111.8 +/- 2.5 &rst iat= 1788, 1798, 1800, r1= 109.3, r2= 111.8, r3= 111.8, r4= 114.3, &end # angle PRO HA, 107 CA, 107 CB, 107 109.5 +/- 5 &rst iat= 1799, 1798, 1795, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO HA, 107 CA, 107 C, 107 109.5 +/- 5 &rst iat= 1799, 1798, 1800, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO CB, 107 CA, 107 C, 107 110.1 +/- 1.9 &rst iat= 1795, 1798, 1800, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PRO CA, 107 C, 107 O, 107 120.8 +/- 1.7 &rst iat= 1798, 1800, 1801, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 107 C, 107 N, 108 123.0 +/- 1.6 &rst iat= 1801, 1800, 1802, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 107 C, 107 N, 108 116.2 +/- 2.0 &rst iat= 1798, 1800, 1802, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 107 N, 108 CA, 108 121.7 +/- 1.8 &rst iat= 1800, 1802, 1804, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 107 N, 108 H, 108 119.5 +/- 5 &rst iat= 1800, 1802, 1803, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 108 N, 108 CA, 108 118.2 +/- 5 &rst iat= 1803, 1802, 1804, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 108 CA, 108 CB, 108 110.5 +/- 1.7 &rst iat= 1802, 1804, 1806, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 108 CA, 108 HA, 108 109.5 +/- 5 &rst iat= 1802, 1804, 1805, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 108 CA, 108 C, 108 111.2 +/- 2.8 &rst iat= 1802, 1804, 1811, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 108 CA, 108 CB, 108 109.5 +/- 5 &rst iat= 1805, 1804, 1806, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 108 CA, 108 C, 108 109.5 +/- 5 &rst iat= 1805, 1804, 1811, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 108 CA, 108 C, 108 110.1 +/- 1.9 &rst iat= 1806, 1804, 1811, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 108 C, 108 O, 108 120.8 +/- 1.7 &rst iat= 1804, 1811, 1812, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLY O, 108 C, 108 N, 109 123.0 +/- 1.6 &rst iat= 1812, 1811, 1813, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLY CA, 108 C, 108 N, 109 116.2 +/- 2.0 &rst iat= 1804, 1811, 1813, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLY C, 108 N, 109 CA, 109 120.6 +/- 1.7 &rst iat= 1811, 1813, 1815, r1= 118.9, r2= 120.6, r3= 120.6, r4= 122.3, &end # angle GLY C, 108 N, 109 H, 109 119.5 +/- 5 &rst iat= 1811, 1813, 1814, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLY H, 109 N, 109 CA, 109 118.2 +/- 5 &rst iat= 1814, 1813, 1815, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLY N, 109 CA, 109 HA2, 109 109.5 +/- 5 &rst iat= 1813, 1815, 1816, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 109 CA, 109 HA3, 109 109.5 +/- 5 &rst iat= 1813, 1815, 1817, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY N, 109 CA, 109 C, 109 112.5 +/- 2.9 &rst iat= 1813, 1815, 1818, r1= 109.6, r2= 112.5, r3= 112.5, r4= 115.4, &end # angle GLY HA2, 109 CA, 109 HA3, 109 109.5 +/- 5 &rst iat= 1816, 1815, 1817, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA2, 109 CA, 109 C, 109 109.5 +/- 5 &rst iat= 1816, 1815, 1818, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY HA3, 109 CA, 109 C, 109 109.5 +/- 5 &rst iat= 1817, 1815, 1818, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLY CA, 109 C, 109 O, 109 120.8 +/- 2.1 &rst iat= 1815, 1818, 1819, r1= 118.7, r2= 120.8, r3= 120.8, r4= 122.9, &end # angle ASP O, 109 C, 109 N, 110 123.0 +/- 1.6 &rst iat= 1819, 1818, 1820, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 109 C, 109 N, 110 116.2 +/- 2.0 &rst iat= 1815, 1818, 1820, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 109 N, 110 CA, 110 121.7 +/- 1.8 &rst iat= 1818, 1820, 1822, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 109 N, 110 H, 110 119.5 +/- 5 &rst iat= 1818, 1820, 1821, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 110 N, 110 CA, 110 118.2 +/- 5 &rst iat= 1821, 1820, 1822, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 110 CA, 110 CB, 110 110.5 +/- 1.7 &rst iat= 1820, 1822, 1824, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 110 CA, 110 HA, 110 109.5 +/- 5 &rst iat= 1820, 1822, 1823, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 110 CA, 110 C, 110 111.2 +/- 2.8 &rst iat= 1820, 1822, 1830, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 110 CA, 110 CB, 110 109.5 +/- 5 &rst iat= 1823, 1822, 1824, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 110 CA, 110 C, 110 109.5 +/- 5 &rst iat= 1823, 1822, 1830, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 110 CA, 110 C, 110 110.1 +/- 1.9 &rst iat= 1824, 1822, 1830, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 110 C, 110 O, 110 120.8 +/- 1.7 &rst iat= 1822, 1830, 1831, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 110 C, 110 N, 111 123.0 +/- 1.6 &rst iat= 1831, 1830, 1832, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 110 C, 110 N, 111 116.2 +/- 2.0 &rst iat= 1822, 1830, 1832, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 110 N, 111 CA, 111 121.7 +/- 1.8 &rst iat= 1830, 1832, 1834, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 110 N, 111 H, 111 119.5 +/- 5 &rst iat= 1830, 1832, 1833, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 111 N, 111 CA, 111 118.2 +/- 5 &rst iat= 1833, 1832, 1834, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 111 CA, 111 CB, 111 110.5 +/- 1.7 &rst iat= 1832, 1834, 1836, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 111 CA, 111 HA, 111 109.5 +/- 5 &rst iat= 1832, 1834, 1835, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 111 CA, 111 C, 111 111.2 +/- 2.8 &rst iat= 1832, 1834, 1841, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 111 CA, 111 CB, 111 109.5 +/- 5 &rst iat= 1835, 1834, 1836, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 111 CA, 111 C, 111 109.5 +/- 5 &rst iat= 1835, 1834, 1841, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 111 CA, 111 C, 111 110.1 +/- 1.9 &rst iat= 1836, 1834, 1841, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 111 C, 111 O, 111 120.8 +/- 1.7 &rst iat= 1834, 1841, 1842, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LYS O, 111 C, 111 N, 112 123.0 +/- 1.6 &rst iat= 1842, 1841, 1843, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LYS CA, 111 C, 111 N, 112 116.2 +/- 2.0 &rst iat= 1834, 1841, 1843, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LYS C, 111 N, 112 CA, 112 121.7 +/- 1.8 &rst iat= 1841, 1843, 1845, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LYS C, 111 N, 112 H, 112 119.5 +/- 5 &rst iat= 1841, 1843, 1844, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LYS H, 112 N, 112 CA, 112 118.2 +/- 5 &rst iat= 1844, 1843, 1845, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LYS N, 112 CA, 112 CB, 112 110.5 +/- 1.7 &rst iat= 1843, 1845, 1847, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LYS N, 112 CA, 112 HA, 112 109.5 +/- 5 &rst iat= 1843, 1845, 1846, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS N, 112 CA, 112 C, 112 111.2 +/- 2.8 &rst iat= 1843, 1845, 1863, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LYS HA, 112 CA, 112 CB, 112 109.5 +/- 5 &rst iat= 1846, 1845, 1847, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS HA, 112 CA, 112 C, 112 109.5 +/- 5 &rst iat= 1846, 1845, 1863, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LYS CB, 112 CA, 112 C, 112 110.1 +/- 1.9 &rst iat= 1847, 1845, 1863, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LYS CA, 112 C, 112 O, 112 120.8 +/- 1.7 &rst iat= 1845, 1863, 1864, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 112 C, 112 N, 113 123.0 +/- 1.6 &rst iat= 1864, 1863, 1865, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 112 C, 112 N, 113 116.2 +/- 2.0 &rst iat= 1845, 1863, 1865, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 112 N, 113 CA, 113 121.7 +/- 1.8 &rst iat= 1863, 1865, 1867, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 112 N, 113 H, 113 119.5 +/- 5 &rst iat= 1863, 1865, 1866, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 113 N, 113 CA, 113 118.2 +/- 5 &rst iat= 1866, 1865, 1867, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 113 CA, 113 CB, 113 110.5 +/- 1.7 &rst iat= 1865, 1867, 1869, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 113 CA, 113 HA, 113 109.5 +/- 5 &rst iat= 1865, 1867, 1868, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 113 CA, 113 C, 113 111.2 +/- 2.8 &rst iat= 1865, 1867, 1882, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 113 CA, 113 CB, 113 109.5 +/- 5 &rst iat= 1868, 1867, 1869, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 113 CA, 113 C, 113 109.5 +/- 5 &rst iat= 1868, 1867, 1882, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 113 CA, 113 C, 113 110.1 +/- 1.9 &rst iat= 1869, 1867, 1882, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 113 C, 113 O, 113 120.8 +/- 1.7 &rst iat= 1867, 1882, 1883, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 113 C, 113 N, 114 123.0 +/- 1.6 &rst iat= 1883, 1882, 1884, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 113 C, 113 N, 114 116.2 +/- 2.0 &rst iat= 1867, 1882, 1884, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 113 N, 114 CA, 114 121.7 +/- 1.8 &rst iat= 1882, 1884, 1886, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 113 N, 114 H, 114 119.5 +/- 5 &rst iat= 1882, 1884, 1885, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 114 N, 114 CA, 114 118.2 +/- 5 &rst iat= 1885, 1884, 1886, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 114 CA, 114 CB, 114 110.5 +/- 1.7 &rst iat= 1884, 1886, 1888, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 114 CA, 114 HA, 114 109.5 +/- 5 &rst iat= 1884, 1886, 1887, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 114 CA, 114 C, 114 111.2 +/- 2.8 &rst iat= 1884, 1886, 1903, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 114 CA, 114 CB, 114 109.5 +/- 5 &rst iat= 1887, 1886, 1888, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 114 CA, 114 C, 114 109.5 +/- 5 &rst iat= 1887, 1886, 1903, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 114 CA, 114 C, 114 110.1 +/- 1.9 &rst iat= 1888, 1886, 1903, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 114 C, 114 O, 114 120.8 +/- 1.7 &rst iat= 1886, 1903, 1904, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 114 C, 114 N, 115 123.0 +/- 1.6 &rst iat= 1904, 1903, 1905, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 114 C, 114 N, 115 116.2 +/- 2.0 &rst iat= 1886, 1903, 1905, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 114 N, 115 CA, 115 121.7 +/- 1.8 &rst iat= 1903, 1905, 1907, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 114 N, 115 H, 115 119.5 +/- 5 &rst iat= 1903, 1905, 1906, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 115 N, 115 CA, 115 118.2 +/- 5 &rst iat= 1906, 1905, 1907, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 115 CA, 115 CB, 115 110.5 +/- 1.7 &rst iat= 1905, 1907, 1909, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 115 CA, 115 HA, 115 109.5 +/- 5 &rst iat= 1905, 1907, 1908, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 115 CA, 115 C, 115 111.2 +/- 2.8 &rst iat= 1905, 1907, 1927, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 115 CA, 115 CB, 115 109.5 +/- 5 &rst iat= 1908, 1907, 1909, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 115 CA, 115 C, 115 109.5 +/- 5 &rst iat= 1908, 1907, 1927, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 115 CA, 115 C, 115 110.1 +/- 1.9 &rst iat= 1909, 1907, 1927, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 115 C, 115 O, 115 120.8 +/- 1.7 &rst iat= 1907, 1927, 1928, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 115 C, 115 N, 116 123.0 +/- 1.6 &rst iat= 1928, 1927, 1929, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 115 C, 115 N, 116 116.2 +/- 2.0 &rst iat= 1907, 1927, 1929, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 115 N, 116 CA, 116 121.7 +/- 1.8 &rst iat= 1927, 1929, 1931, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 115 N, 116 H, 116 119.5 +/- 5 &rst iat= 1927, 1929, 1930, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 116 N, 116 CA, 116 118.2 +/- 5 &rst iat= 1930, 1929, 1931, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 116 CA, 116 CB, 116 110.5 +/- 1.7 &rst iat= 1929, 1931, 1933, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 116 CA, 116 HA, 116 109.5 +/- 5 &rst iat= 1929, 1931, 1932, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 116 CA, 116 C, 116 111.2 +/- 2.8 &rst iat= 1929, 1931, 1946, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 116 CA, 116 CB, 116 109.5 +/- 5 &rst iat= 1932, 1931, 1933, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 116 CA, 116 C, 116 109.5 +/- 5 &rst iat= 1932, 1931, 1946, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 116 CA, 116 C, 116 110.1 +/- 1.9 &rst iat= 1933, 1931, 1946, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 116 C, 116 O, 116 120.8 +/- 1.7 &rst iat= 1931, 1946, 1947, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle HIP O, 116 C, 116 N, 117 123.0 +/- 1.6 &rst iat= 1947, 1946, 1948, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle HIP CA, 116 C, 116 N, 117 116.2 +/- 2.0 &rst iat= 1931, 1946, 1948, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle HIP C, 116 N, 117 CA, 117 121.7 +/- 1.8 &rst iat= 1946, 1948, 1950, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle HIP C, 116 N, 117 H, 117 119.5 +/- 5 &rst iat= 1946, 1948, 1949, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle HIP H, 117 N, 117 CA, 117 118.2 +/- 5 &rst iat= 1949, 1948, 1950, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle HIP N, 117 CA, 117 CB, 117 110.5 +/- 1.7 &rst iat= 1948, 1950, 1952, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle HIP N, 117 CA, 117 HA, 117 109.5 +/- 5 &rst iat= 1948, 1950, 1951, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP N, 117 CA, 117 C, 117 111.2 +/- 2.8 &rst iat= 1948, 1950, 1964, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle HIP HA, 117 CA, 117 CB, 117 109.5 +/- 5 &rst iat= 1951, 1950, 1952, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP HA, 117 CA, 117 C, 117 109.5 +/- 5 &rst iat= 1951, 1950, 1964, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle HIP CB, 117 CA, 117 C, 117 110.1 +/- 1.9 &rst iat= 1952, 1950, 1964, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle HIP CA, 117 C, 117 O, 117 120.8 +/- 1.7 &rst iat= 1950, 1964, 1965, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle PRO O, 117 C, 117 N, 118 122.0 +/- 1.4 &rst iat= 1965, 1964, 1966, r1= 120.6, r2= 122.0, r3= 122.0, r4= 123.4, &end # angle PRO CA, 117 C, 117 N, 118 116.9 +/- 1.5 &rst iat= 1950, 1964, 1966, r1= 115.4, r2= 116.9, r3= 116.9, r4= 118.4, &end # angle PRO C, 117 N, 118 CA, 118 122.6 +/- 5.0 &rst iat= 1964, 1966, 1976, r1= 117.6, r2= 122.6, r3= 122.6, r4= 127.6, &end # angle PRO C, 117 N, 118 CD, 118 125.0 +/- 5 &rst iat= 1964, 1966, 1967, r1= 120, r2= 125.0, r3= 125.0, r4= 130, &end # angle PRO CD, 118 N, 118 CA, 118 112.0 +/- 5 &rst iat= 1967, 1966, 1976, r1= 107, r2= 112.0, r3= 112.0, r4= 117, &end # angle PRO N, 118 CA, 118 CB, 118 103.0 +/- 1.1 &rst iat= 1966, 1976, 1973, r1= 101.9, r2= 103.0, r3= 103.0, r4= 104.1, &end # angle PRO N, 118 CA, 118 HA, 118 109.5 +/- 5 &rst iat= 1966, 1976, 1977, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO N, 118 CA, 118 C, 118 111.8 +/- 2.5 &rst iat= 1966, 1976, 1978, r1= 109.3, r2= 111.8, r3= 111.8, r4= 114.3, &end # angle PRO HA, 118 CA, 118 CB, 118 109.5 +/- 5 &rst iat= 1977, 1976, 1973, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO HA, 118 CA, 118 C, 118 109.5 +/- 5 &rst iat= 1977, 1976, 1978, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle PRO CB, 118 CA, 118 C, 118 110.1 +/- 1.9 &rst iat= 1973, 1976, 1978, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle PRO CA, 118 C, 118 O, 118 120.8 +/- 1.7 &rst iat= 1976, 1978, 1979, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle CYS O, 118 C, 118 N, 119 123.0 +/- 1.6 &rst iat= 1979, 1978, 1980, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle CYS CA, 118 C, 118 N, 119 116.2 +/- 2.0 &rst iat= 1976, 1978, 1980, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle CYS C, 118 N, 119 CA, 119 121.7 +/- 1.8 &rst iat= 1978, 1980, 1982, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle CYS C, 118 N, 119 H, 119 119.5 +/- 5 &rst iat= 1978, 1980, 1981, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle CYS H, 119 N, 119 CA, 119 118.2 +/- 5 &rst iat= 1981, 1980, 1982, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle CYS N, 119 CA, 119 CB, 119 110.5 +/- 1.7 &rst iat= 1980, 1982, 1984, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle CYS N, 119 CA, 119 HA, 119 109.5 +/- 5 &rst iat= 1980, 1982, 1983, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS N, 119 CA, 119 C, 119 111.2 +/- 2.8 &rst iat= 1980, 1982, 1989, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle CYS HA, 119 CA, 119 CB, 119 109.5 +/- 5 &rst iat= 1983, 1982, 1984, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS HA, 119 CA, 119 C, 119 109.5 +/- 5 &rst iat= 1983, 1982, 1989, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle CYS CB, 119 CA, 119 C, 119 110.1 +/- 1.9 &rst iat= 1984, 1982, 1989, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle CYS CA, 119 C, 119 O, 119 120.8 +/- 1.7 &rst iat= 1982, 1989, 1990, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 119 C, 119 N, 120 123.0 +/- 1.6 &rst iat= 1990, 1989, 1991, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 119 C, 119 N, 120 116.2 +/- 2.0 &rst iat= 1982, 1989, 1991, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 119 N, 120 CA, 120 121.7 +/- 1.8 &rst iat= 1989, 1991, 1993, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 119 N, 120 H, 120 119.5 +/- 5 &rst iat= 1989, 1991, 1992, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 120 N, 120 CA, 120 118.2 +/- 5 &rst iat= 1992, 1991, 1993, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 120 CA, 120 CB, 120 110.5 +/- 1.7 &rst iat= 1991, 1993, 1995, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 120 CA, 120 HA, 120 109.5 +/- 5 &rst iat= 1991, 1993, 1994, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 120 CA, 120 C, 120 111.2 +/- 2.8 &rst iat= 1991, 1993, 2013, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 120 CA, 120 CB, 120 109.5 +/- 5 &rst iat= 1994, 1993, 1995, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 120 CA, 120 C, 120 109.5 +/- 5 &rst iat= 1994, 1993, 2013, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 120 CA, 120 C, 120 110.1 +/- 1.9 &rst iat= 1995, 1993, 2013, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 120 C, 120 O, 120 120.8 +/- 1.7 &rst iat= 1993, 2013, 2014, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 120 C, 120 N, 121 123.0 +/- 1.6 &rst iat= 2014, 2013, 2015, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 120 C, 120 N, 121 116.2 +/- 2.0 &rst iat= 1993, 2013, 2015, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 120 N, 121 CA, 121 121.7 +/- 1.8 &rst iat= 2013, 2015, 2017, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 120 N, 121 H, 121 119.5 +/- 5 &rst iat= 2013, 2015, 2016, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 121 N, 121 CA, 121 118.2 +/- 5 &rst iat= 2016, 2015, 2017, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 121 CA, 121 CB, 121 110.5 +/- 1.7 &rst iat= 2015, 2017, 2019, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 121 CA, 121 HA, 121 109.5 +/- 5 &rst iat= 2015, 2017, 2018, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 121 CA, 121 C, 121 111.2 +/- 2.8 &rst iat= 2015, 2017, 2024, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 121 CA, 121 CB, 121 109.5 +/- 5 &rst iat= 2018, 2017, 2019, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 121 CA, 121 C, 121 109.5 +/- 5 &rst iat= 2018, 2017, 2024, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 121 CA, 121 C, 121 110.1 +/- 1.9 &rst iat= 2019, 2017, 2024, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 121 C, 121 O, 121 120.8 +/- 1.7 &rst iat= 2017, 2024, 2025, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 121 C, 121 N, 122 123.0 +/- 1.6 &rst iat= 2025, 2024, 2026, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 121 C, 121 N, 122 116.2 +/- 2.0 &rst iat= 2017, 2024, 2026, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 121 N, 122 CA, 122 121.7 +/- 1.8 &rst iat= 2024, 2026, 2028, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 121 N, 122 H, 122 119.5 +/- 5 &rst iat= 2024, 2026, 2027, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 122 N, 122 CA, 122 118.2 +/- 5 &rst iat= 2027, 2026, 2028, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 122 CA, 122 CB, 122 110.5 +/- 1.7 &rst iat= 2026, 2028, 2030, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 122 CA, 122 HA, 122 109.5 +/- 5 &rst iat= 2026, 2028, 2029, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 122 CA, 122 C, 122 111.2 +/- 2.8 &rst iat= 2026, 2028, 2043, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 122 CA, 122 CB, 122 109.5 +/- 5 &rst iat= 2029, 2028, 2030, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 122 CA, 122 C, 122 109.5 +/- 5 &rst iat= 2029, 2028, 2043, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 122 CA, 122 C, 122 110.1 +/- 1.9 &rst iat= 2030, 2028, 2043, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 122 C, 122 O, 122 120.8 +/- 1.7 &rst iat= 2028, 2043, 2044, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLN O, 122 C, 122 N, 123 123.0 +/- 1.6 &rst iat= 2044, 2043, 2045, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLN CA, 122 C, 122 N, 123 116.2 +/- 2.0 &rst iat= 2028, 2043, 2045, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLN C, 122 N, 123 CA, 123 121.7 +/- 1.8 &rst iat= 2043, 2045, 2047, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLN C, 122 N, 123 H, 123 119.5 +/- 5 &rst iat= 2043, 2045, 2046, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLN H, 123 N, 123 CA, 123 118.2 +/- 5 &rst iat= 2046, 2045, 2047, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLN N, 123 CA, 123 CB, 123 110.5 +/- 1.7 &rst iat= 2045, 2047, 2049, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLN N, 123 CA, 123 HA, 123 109.5 +/- 5 &rst iat= 2045, 2047, 2048, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN N, 123 CA, 123 C, 123 111.2 +/- 2.8 &rst iat= 2045, 2047, 2060, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLN HA, 123 CA, 123 CB, 123 109.5 +/- 5 &rst iat= 2048, 2047, 2049, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN HA, 123 CA, 123 C, 123 109.5 +/- 5 &rst iat= 2048, 2047, 2060, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN CB, 123 CA, 123 C, 123 110.1 +/- 1.9 &rst iat= 2049, 2047, 2060, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLN CA, 123 C, 123 O, 123 120.8 +/- 1.7 &rst iat= 2047, 2060, 2061, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ILE O, 123 C, 123 N, 124 123.0 +/- 1.6 &rst iat= 2061, 2060, 2062, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ILE CA, 123 C, 123 N, 124 116.2 +/- 2.0 &rst iat= 2047, 2060, 2062, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ILE C, 123 N, 124 CA, 124 121.7 +/- 1.8 &rst iat= 2060, 2062, 2064, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ILE C, 123 N, 124 H, 124 119.5 +/- 5 &rst iat= 2060, 2062, 2063, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ILE H, 124 N, 124 CA, 124 118.2 +/- 5 &rst iat= 2063, 2062, 2064, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ILE N, 124 CA, 124 CB, 124 110.5 +/- 1.7 &rst iat= 2062, 2064, 2066, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ILE N, 124 CA, 124 HA, 124 109.5 +/- 5 &rst iat= 2062, 2064, 2065, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE N, 124 CA, 124 C, 124 111.2 +/- 2.8 &rst iat= 2062, 2064, 2079, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ILE HA, 124 CA, 124 CB, 124 109.5 +/- 5 &rst iat= 2065, 2064, 2066, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE HA, 124 CA, 124 C, 124 109.5 +/- 5 &rst iat= 2065, 2064, 2079, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ILE CB, 124 CA, 124 C, 124 110.1 +/- 1.9 &rst iat= 2066, 2064, 2079, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ILE CA, 124 C, 124 O, 124 120.8 +/- 1.7 &rst iat= 2064, 2079, 2080, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 124 C, 124 N, 125 123.0 +/- 1.6 &rst iat= 2080, 2079, 2081, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 124 C, 124 N, 125 116.2 +/- 2.0 &rst iat= 2064, 2079, 2081, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 124 N, 125 CA, 125 121.7 +/- 1.8 &rst iat= 2079, 2081, 2083, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 124 N, 125 H, 125 119.5 +/- 5 &rst iat= 2079, 2081, 2082, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 125 N, 125 CA, 125 118.2 +/- 5 &rst iat= 2082, 2081, 2083, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 125 CA, 125 CB, 125 110.5 +/- 1.7 &rst iat= 2081, 2083, 2085, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 125 CA, 125 HA, 125 109.5 +/- 5 &rst iat= 2081, 2083, 2084, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 125 CA, 125 C, 125 111.2 +/- 2.8 &rst iat= 2081, 2083, 2103, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 125 CA, 125 CB, 125 109.5 +/- 5 &rst iat= 2084, 2083, 2085, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 125 CA, 125 C, 125 109.5 +/- 5 &rst iat= 2084, 2083, 2103, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 125 CA, 125 C, 125 110.1 +/- 1.9 &rst iat= 2085, 2083, 2103, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 125 C, 125 O, 125 120.8 +/- 1.7 &rst iat= 2083, 2103, 2104, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle GLN O, 125 C, 125 N, 126 123.0 +/- 1.6 &rst iat= 2104, 2103, 2105, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle GLN CA, 125 C, 125 N, 126 116.2 +/- 2.0 &rst iat= 2083, 2103, 2105, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle GLN C, 125 N, 126 CA, 126 121.7 +/- 1.8 &rst iat= 2103, 2105, 2107, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle GLN C, 125 N, 126 H, 126 119.5 +/- 5 &rst iat= 2103, 2105, 2106, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle GLN H, 126 N, 126 CA, 126 118.2 +/- 5 &rst iat= 2106, 2105, 2107, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle GLN N, 126 CA, 126 CB, 126 110.5 +/- 1.7 &rst iat= 2105, 2107, 2109, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle GLN N, 126 CA, 126 HA, 126 109.5 +/- 5 &rst iat= 2105, 2107, 2108, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN N, 126 CA, 126 C, 126 111.2 +/- 2.8 &rst iat= 2105, 2107, 2120, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle GLN HA, 126 CA, 126 CB, 126 109.5 +/- 5 &rst iat= 2108, 2107, 2109, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN HA, 126 CA, 126 C, 126 109.5 +/- 5 &rst iat= 2108, 2107, 2120, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle GLN CB, 126 CA, 126 C, 126 110.1 +/- 1.9 &rst iat= 2109, 2107, 2120, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle GLN CA, 126 C, 126 O, 126 120.8 +/- 1.7 &rst iat= 2107, 2120, 2121, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 126 C, 126 N, 127 123.0 +/- 1.6 &rst iat= 2121, 2120, 2122, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 126 C, 126 N, 127 116.2 +/- 2.0 &rst iat= 2107, 2120, 2122, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 126 N, 127 CA, 127 121.7 +/- 1.8 &rst iat= 2120, 2122, 2124, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 126 N, 127 H, 127 119.5 +/- 5 &rst iat= 2120, 2122, 2123, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 127 N, 127 CA, 127 118.2 +/- 5 &rst iat= 2123, 2122, 2124, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 127 CA, 127 CB, 127 110.5 +/- 1.7 &rst iat= 2122, 2124, 2126, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 127 CA, 127 HA, 127 109.5 +/- 5 &rst iat= 2122, 2124, 2125, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 127 CA, 127 C, 127 111.2 +/- 2.8 &rst iat= 2122, 2124, 2141, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 127 CA, 127 CB, 127 109.5 +/- 5 &rst iat= 2125, 2124, 2126, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 127 CA, 127 C, 127 109.5 +/- 5 &rst iat= 2125, 2124, 2141, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 127 CA, 127 C, 127 110.1 +/- 1.9 &rst iat= 2126, 2124, 2141, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 127 C, 127 O, 127 120.8 +/- 1.7 &rst iat= 2124, 2141, 2142, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ALA O, 127 C, 127 N, 128 123.0 +/- 1.6 &rst iat= 2142, 2141, 2143, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ALA CA, 127 C, 127 N, 128 116.2 +/- 2.0 &rst iat= 2124, 2141, 2143, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ALA C, 127 N, 128 CA, 128 121.7 +/- 1.8 &rst iat= 2141, 2143, 2145, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ALA C, 127 N, 128 H, 128 119.5 +/- 5 &rst iat= 2141, 2143, 2144, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ALA H, 128 N, 128 CA, 128 118.2 +/- 5 &rst iat= 2144, 2143, 2145, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ALA N, 128 CA, 128 CB, 128 110.4 +/- 1.5 &rst iat= 2143, 2145, 2147, r1= 108.9, r2= 110.4, r3= 110.4, r4= 111.9, &end # angle ALA N, 128 CA, 128 HA, 128 109.5 +/- 5 &rst iat= 2143, 2145, 2146, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA N, 128 CA, 128 C, 128 111.2 +/- 2.8 &rst iat= 2143, 2145, 2151, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ALA HA, 128 CA, 128 CB, 128 109.5 +/- 5 &rst iat= 2146, 2145, 2147, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA HA, 128 CA, 128 C, 128 109.5 +/- 5 &rst iat= 2146, 2145, 2151, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ALA CB, 128 CA, 128 C, 128 110.5 +/- 1.5 &rst iat= 2147, 2145, 2151, r1= 109, r2= 110.5, r3= 110.5, r4= 112, &end # angle ALA CA, 128 C, 128 O, 128 120.8 +/- 1.7 &rst iat= 2145, 2151, 2152, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle TYR O, 128 C, 128 N, 129 123.0 +/- 1.6 &rst iat= 2152, 2151, 2153, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle TYR CA, 128 C, 128 N, 129 116.2 +/- 2.0 &rst iat= 2145, 2151, 2153, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle TYR C, 128 N, 129 CA, 129 121.7 +/- 1.8 &rst iat= 2151, 2153, 2155, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle TYR C, 128 N, 129 H, 129 119.5 +/- 5 &rst iat= 2151, 2153, 2154, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle TYR H, 129 N, 129 CA, 129 118.2 +/- 5 &rst iat= 2154, 2153, 2155, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle TYR N, 129 CA, 129 CB, 129 110.5 +/- 1.7 &rst iat= 2153, 2155, 2157, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle TYR N, 129 CA, 129 HA, 129 109.5 +/- 5 &rst iat= 2153, 2155, 2156, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR N, 129 CA, 129 C, 129 111.2 +/- 2.8 &rst iat= 2153, 2155, 2172, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle TYR HA, 129 CA, 129 CB, 129 109.5 +/- 5 &rst iat= 2156, 2155, 2157, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR HA, 129 CA, 129 C, 129 109.5 +/- 5 &rst iat= 2156, 2155, 2172, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle TYR CB, 129 CA, 129 C, 129 110.1 +/- 1.9 &rst iat= 2157, 2155, 2172, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle TYR CA, 129 C, 129 O, 129 120.8 +/- 1.7 &rst iat= 2155, 2172, 2173, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle LEU O, 129 C, 129 N, 130 123.0 +/- 1.6 &rst iat= 2173, 2172, 2174, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle LEU CA, 129 C, 129 N, 130 116.2 +/- 2.0 &rst iat= 2155, 2172, 2174, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle LEU C, 129 N, 130 CA, 130 121.7 +/- 1.8 &rst iat= 2172, 2174, 2176, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle LEU C, 129 N, 130 H, 130 119.5 +/- 5 &rst iat= 2172, 2174, 2175, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle LEU H, 130 N, 130 CA, 130 118.2 +/- 5 &rst iat= 2175, 2174, 2176, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle LEU N, 130 CA, 130 CB, 130 110.5 +/- 1.7 &rst iat= 2174, 2176, 2178, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle LEU N, 130 CA, 130 HA, 130 109.5 +/- 5 &rst iat= 2174, 2176, 2177, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU N, 130 CA, 130 C, 130 111.2 +/- 2.8 &rst iat= 2174, 2176, 2191, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle LEU HA, 130 CA, 130 CB, 130 109.5 +/- 5 &rst iat= 2177, 2176, 2178, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU HA, 130 CA, 130 C, 130 109.5 +/- 5 &rst iat= 2177, 2176, 2191, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle LEU CB, 130 CA, 130 C, 130 110.1 +/- 1.9 &rst iat= 2178, 2176, 2191, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle LEU CA, 130 C, 130 O, 130 120.8 +/- 1.7 &rst iat= 2176, 2191, 2192, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 130 C, 130 N, 131 123.0 +/- 1.6 &rst iat= 2192, 2191, 2193, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 130 C, 130 N, 131 116.2 +/- 2.0 &rst iat= 2176, 2191, 2193, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 130 N, 131 CA, 131 121.7 +/- 1.8 &rst iat= 2191, 2193, 2195, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 130 N, 131 H, 131 119.5 +/- 5 &rst iat= 2191, 2193, 2194, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 131 N, 131 CA, 131 118.2 +/- 5 &rst iat= 2194, 2193, 2195, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 131 CA, 131 CB, 131 110.5 +/- 1.7 &rst iat= 2193, 2195, 2197, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 131 CA, 131 HA, 131 109.5 +/- 5 &rst iat= 2193, 2195, 2196, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 131 CA, 131 C, 131 111.2 +/- 2.8 &rst iat= 2193, 2195, 2202, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 131 CA, 131 CB, 131 109.5 +/- 5 &rst iat= 2196, 2195, 2197, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 131 CA, 131 C, 131 109.5 +/- 5 &rst iat= 2196, 2195, 2202, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 131 CA, 131 C, 131 110.1 +/- 1.9 &rst iat= 2197, 2195, 2202, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 131 C, 131 O, 131 120.8 +/- 1.7 &rst iat= 2195, 2202, 2203, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ASP O, 131 C, 131 N, 132 123.0 +/- 1.6 &rst iat= 2203, 2202, 2204, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ASP CA, 131 C, 131 N, 132 116.2 +/- 2.0 &rst iat= 2195, 2202, 2204, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ASP C, 131 N, 132 CA, 132 121.7 +/- 1.8 &rst iat= 2202, 2204, 2206, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ASP C, 131 N, 132 H, 132 119.5 +/- 5 &rst iat= 2202, 2204, 2205, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ASP H, 132 N, 132 CA, 132 118.2 +/- 5 &rst iat= 2205, 2204, 2206, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ASP N, 132 CA, 132 CB, 132 110.5 +/- 1.7 &rst iat= 2204, 2206, 2208, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ASP N, 132 CA, 132 HA, 132 109.5 +/- 5 &rst iat= 2204, 2206, 2207, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP N, 132 CA, 132 C, 132 111.2 +/- 2.8 &rst iat= 2204, 2206, 2214, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ASP HA, 132 CA, 132 CB, 132 109.5 +/- 5 &rst iat= 2207, 2206, 2208, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP HA, 132 CA, 132 C, 132 109.5 +/- 5 &rst iat= 2207, 2206, 2214, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ASP CB, 132 CA, 132 C, 132 110.1 +/- 1.9 &rst iat= 2208, 2206, 2214, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ASP CA, 132 C, 132 O, 132 120.8 +/- 1.7 &rst iat= 2206, 2214, 2215, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle ARG O, 132 C, 132 N, 133 123.0 +/- 1.6 &rst iat= 2215, 2214, 2216, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle ARG CA, 132 C, 132 N, 133 116.2 +/- 2.0 &rst iat= 2206, 2214, 2216, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle ARG C, 132 N, 133 CA, 133 121.7 +/- 1.8 &rst iat= 2214, 2216, 2218, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle ARG C, 132 N, 133 H, 133 119.5 +/- 5 &rst iat= 2214, 2216, 2217, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle ARG H, 133 N, 133 CA, 133 118.2 +/- 5 &rst iat= 2217, 2216, 2218, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle ARG N, 133 CA, 133 CB, 133 110.5 +/- 1.7 &rst iat= 2216, 2218, 2220, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle ARG N, 133 CA, 133 HA, 133 109.5 +/- 5 &rst iat= 2216, 2218, 2219, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG N, 133 CA, 133 C, 133 111.2 +/- 2.8 &rst iat= 2216, 2218, 2238, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle ARG HA, 133 CA, 133 CB, 133 109.5 +/- 5 &rst iat= 2219, 2218, 2220, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG HA, 133 CA, 133 C, 133 109.5 +/- 5 &rst iat= 2219, 2218, 2238, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle ARG CB, 133 CA, 133 C, 133 110.1 +/- 1.9 &rst iat= 2220, 2218, 2238, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle ARG CA, 133 C, 133 O, 133 120.8 +/- 1.7 &rst iat= 2218, 2238, 2239, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle SER O, 133 C, 133 N, 134 123.0 +/- 1.6 &rst iat= 2239, 2238, 2240, r1= 121.4, r2= 123.0, r3= 123.0, r4= 124.6, &end # angle SER CA, 133 C, 133 N, 134 116.2 +/- 2.0 &rst iat= 2218, 2238, 2240, r1= 114.2, r2= 116.2, r3= 116.2, r4= 118.2, &end # angle SER C, 133 N, 134 CA, 134 121.7 +/- 1.8 &rst iat= 2238, 2240, 2242, r1= 119.9, r2= 121.7, r3= 121.7, r4= 123.5, &end # angle SER C, 133 N, 134 H, 134 119.5 +/- 5 &rst iat= 2238, 2240, 2241, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle SER H, 134 N, 134 CA, 134 118.2 +/- 5 &rst iat= 2241, 2240, 2242, r1= 113.2, r2= 118.2, r3= 118.2, r4= 123.2, &end # angle SER N, 134 CA, 134 CB, 134 110.5 +/- 1.7 &rst iat= 2240, 2242, 2244, r1= 108.8, r2= 110.5, r3= 110.5, r4= 112.2, &end # angle SER N, 134 CA, 134 HA, 134 109.5 +/- 5 &rst iat= 2240, 2242, 2243, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER N, 134 CA, 134 C, 134 111.2 +/- 2.8 &rst iat= 2240, 2242, 2249, r1= 108.4, r2= 111.2, r3= 111.2, r4= 114, &end # angle SER HA, 134 CA, 134 CB, 134 109.5 +/- 5 &rst iat= 2243, 2242, 2244, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER HA, 134 CA, 134 C, 134 109.5 +/- 5 &rst iat= 2243, 2242, 2249, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle SER CB, 134 CA, 134 C, 134 110.1 +/- 1.9 &rst iat= 2244, 2242, 2249, r1= 108.2, r2= 110.1, r3= 110.1, r4= 112, &end # angle SER CA, 134 C, 134 O, 134 120.8 +/- 1.7 &rst iat= 2242, 2249, 2250, r1= 119.1, r2= 120.8, r3= 120.8, r4= 122.5, &end # angle DG5 C2', 138 C1', 138 N9, 138 113.7 +/- 5 &rst iat= 2281, 2262, 2264, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG5 O4', 138 C1', 138 N9, 138 108.1 +/- 5 &rst iat= 2261, 2262, 2264, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG5 H1', 138 C1', 138 N9, 138 109.5 +/- 5 &rst iat= 2263, 2262, 2264, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG5 C2, 138 N1, 138 C6, 138 125.2 +/- 5 &rst iat= 2273, 2271, 2269, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG5 C2, 138 N1, 138 H1, 138 117.4 +/- 5 &rst iat= 2273, 2271, 2272, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG5 C6, 138 N1, 138 H1, 138 117.4 +/- 5 &rst iat= 2269, 2271, 2272, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG5 N1, 138 C2, 138 N2, 138 116.1 +/- 5 &rst iat= 2271, 2273, 2274, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG5 N1, 138 C2, 138 N3, 138 123.3 +/- 5 &rst iat= 2271, 2273, 2277, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG5 N2, 138 C2, 138 N3, 138 120.6 +/- 5 &rst iat= 2274, 2273, 2277, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG5 C2, 138 N2, 138 H21, 138 120.0 +/- 5 &rst iat= 2273, 2274, 2275, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG5 C2, 138 N2, 138 H22, 138 120.0 +/- 5 &rst iat= 2273, 2274, 2276, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG5 H21, 138 N2, 138 H22, 138 120.0 +/- 5 &rst iat= 2275, 2274, 2276, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG5 C2, 138 N3, 138 C4, 138 112.2 +/- 5 &rst iat= 2273, 2277, 2278, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG5 N3, 138 C4, 138 C5, 138 128.5 +/- 5 &rst iat= 2277, 2278, 2268, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG5 N3, 138 C4, 138 N9, 138 125.1 +/- 5 &rst iat= 2277, 2278, 2264, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG5 C5, 138 C4, 138 N9, 138 106.4 +/- 5 &rst iat= 2268, 2278, 2264, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG5 C4, 138 C5, 138 C6, 138 119.3 +/- 5 &rst iat= 2278, 2268, 2269, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG5 C4, 138 C5, 138 N7, 138 110.6 +/- 5 &rst iat= 2278, 2268, 2267, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG5 C6, 138 C5, 138 N7, 138 130.1 +/- 5 &rst iat= 2269, 2268, 2267, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG5 N1, 138 C6, 138 C5, 138 111.4 +/- 5 &rst iat= 2271, 2269, 2268, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG5 N1, 138 C6, 138 O6, 138 119.8 +/- 5 &rst iat= 2271, 2269, 2270, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG5 C5, 138 C6, 138 O6, 138 128.8 +/- 5 &rst iat= 2268, 2269, 2270, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG5 C5, 138 N7, 138 C8, 138 103.8 +/- 5 &rst iat= 2268, 2267, 2265, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG5 N7, 138 C8, 138 N9, 138 114.0 +/- 5 &rst iat= 2267, 2265, 2264, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG5 N7, 138 C8, 138 H8, 138 123.0 +/- 5 &rst iat= 2267, 2265, 2266, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG5 N9, 138 C8, 138 H8, 138 123.0 +/- 5 &rst iat= 2264, 2265, 2266, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG5 C1', 138 N9, 138 C4, 138 125.6 +/- 5 &rst iat= 2262, 2264, 2278, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG5 C1', 138 N9, 138 C8, 138 129.2 +/- 5 &rst iat= 2262, 2264, 2265, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG5 C4, 138 N9, 138 C8, 138 105.2 +/- &rst iat= 2278, 2264, 2265, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DT C2', 139 C1', 139 N1, 139 113.7 +/- 5 &rst iat= 2313, 2295, 2297, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 139 C1', 139 N1, 139 108.1 +/- 5 &rst iat= 2294, 2295, 2297, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 139 C1', 139 N1, 139 109.5 +/- 5 &rst iat= 2296, 2295, 2297, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 139 N1, 139 C2, 139 117.1 +/- 5 &rst iat= 2295, 2297, 2309, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 139 N1, 139 C6, 139 120.8 +/- 5 &rst iat= 2295, 2297, 2298, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 139 N1, 139 C6, 139 122.1 +/- 5 &rst iat= 2309, 2297, 2298, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 139 C2, 139 O2, 139 122.9 +/- 5 &rst iat= 2297, 2309, 2310, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 139 C2, 139 N3, 139 115.4 +/- 5 &rst iat= 2297, 2309, 2307, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 139 C2, 139 N3, 139 121.6 +/- 5 &rst iat= 2310, 2309, 2307, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 139 N3, 139 C4, 139 126.4 +/- 5 &rst iat= 2309, 2307, 2305, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 139 N3, 139 H3, 139 116.8 +/- 5 &rst iat= 2309, 2307, 2308, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 139 N3, 139 H3, 139 116.8 +/- 5 &rst iat= 2305, 2307, 2308, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 139 C4, 139 O4, 139 120.6 +/- 5 &rst iat= 2307, 2305, 2306, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 139 C4, 139 C5, 139 114.1 +/- 5 &rst iat= 2307, 2305, 2300, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 139 C4, 139 C5, 139 125.4 +/- 5 &rst iat= 2306, 2305, 2300, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 139 C5, 139 C6, 139 120.8 +/- 5 &rst iat= 2305, 2300, 2298, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 139 C5, 139 C7, 139 117.5 +/- 5 &rst iat= 2305, 2300, 2301, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 139 C5, 139 C7, 139 121.7 +/- 5 &rst iat= 2298, 2300, 2301, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 139 C6, 139 C5, 139 121.3 +/- 5 &rst iat= 2297, 2298, 2300, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 139 C6, 139 H6, 139 119.4 +/- 5 &rst iat= 2297, 2298, 2299, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 139 C6, 139 H6, 139 119.4 +/- 5 &rst iat= 2300, 2298, 2299, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 139 C7, 139 H71, 139 109.5 +/- 2 &rst iat= 2300, 2301, 2302, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 139 C7, 139 H72, 139 109.5 +/- 2 &rst iat= 2300, 2301, 2303, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 139 C7, 139 H73, 139 109.5 +/- 2 &rst iat= 2300, 2301, 2304, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 139 C7, 139 H72, 139 109.5 +/- 2 &rst iat= 2302, 2301, 2303, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 139 C7, 139 H73, 139 109.5 +/- 2 &rst iat= 2302, 2301, 2304, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 139 C7, 139 H73, 139 109.5 +/- 2 &rst iat= 2303, 2301, 2304, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DG C2', 140 C1', 140 N9, 140 113.7 +/- 5 &rst iat= 2346, 2327, 2329, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 140 C1', 140 N9, 140 108.1 +/- 5 &rst iat= 2326, 2327, 2329, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 140 C1', 140 N9, 140 109.5 +/- 5 &rst iat= 2328, 2327, 2329, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 140 N1, 140 C6, 140 125.2 +/- 5 &rst iat= 2338, 2336, 2334, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 140 N1, 140 H1, 140 117.4 +/- 5 &rst iat= 2338, 2336, 2337, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 140 N1, 140 H1, 140 117.4 +/- 5 &rst iat= 2334, 2336, 2337, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 140 C2, 140 N2, 140 116.1 +/- 5 &rst iat= 2336, 2338, 2339, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 140 C2, 140 N3, 140 123.3 +/- 5 &rst iat= 2336, 2338, 2342, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 140 C2, 140 N3, 140 120.6 +/- 5 &rst iat= 2339, 2338, 2342, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 140 N2, 140 H21, 140 120.0 +/- 5 &rst iat= 2338, 2339, 2340, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 140 N2, 140 H22, 140 120.0 +/- 5 &rst iat= 2338, 2339, 2341, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 140 N2, 140 H22, 140 120.0 +/- 5 &rst iat= 2340, 2339, 2341, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 140 N3, 140 C4, 140 112.2 +/- 5 &rst iat= 2338, 2342, 2343, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 140 C4, 140 C5, 140 128.5 +/- 5 &rst iat= 2342, 2343, 2333, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 140 C4, 140 N9, 140 125.1 +/- 5 &rst iat= 2342, 2343, 2329, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 140 C4, 140 N9, 140 106.4 +/- 5 &rst iat= 2333, 2343, 2329, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 140 C5, 140 C6, 140 119.3 +/- 5 &rst iat= 2343, 2333, 2334, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 140 C5, 140 N7, 140 110.6 +/- 5 &rst iat= 2343, 2333, 2332, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 140 C5, 140 N7, 140 130.1 +/- 5 &rst iat= 2334, 2333, 2332, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 140 C6, 140 C5, 140 111.4 +/- 5 &rst iat= 2336, 2334, 2333, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 140 C6, 140 O6, 140 119.8 +/- 5 &rst iat= 2336, 2334, 2335, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 140 C6, 140 O6, 140 128.8 +/- 5 &rst iat= 2333, 2334, 2335, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 140 N7, 140 C8, 140 103.8 +/- 5 &rst iat= 2333, 2332, 2330, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 140 C8, 140 N9, 140 114.0 +/- 5 &rst iat= 2332, 2330, 2329, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 140 C8, 140 H8, 140 123.0 +/- 5 &rst iat= 2332, 2330, 2331, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 140 C8, 140 H8, 140 123.0 +/- 5 &rst iat= 2329, 2330, 2331, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 140 N9, 140 C4, 140 125.6 +/- 5 &rst iat= 2327, 2329, 2343, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 140 N9, 140 C8, 140 129.2 +/- 5 &rst iat= 2327, 2329, 2330, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 140 N9, 140 C8, 140 105.2 +/- &rst iat= 2343, 2329, 2330, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DC C2', 141 C1', 141 N1, 141 113.7 +/- 5 &rst iat= 2376, 2360, 2362, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 141 C1', 141 N1, 141 108.1 +/- 5 &rst iat= 2359, 2360, 2362, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 141 C1', 141 N1, 141 109.5 +/- 5 &rst iat= 2361, 2360, 2362, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 141 N1, 141 C2, 141 117.8 +/- 5 &rst iat= 2360, 2362, 2372, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 141 N1, 141 C6, 141 121.0 +/- 5 &rst iat= 2360, 2362, 2363, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 141 N1, 141 C6, 141 121.2 +/- 5 &rst iat= 2372, 2362, 2363, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 141 C2, 141 O2, 141 118.8 +/- 5 &rst iat= 2362, 2372, 2373, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 141 C2, 141 N3, 141 118.7 +/- 5 &rst iat= 2362, 2372, 2371, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 141 C2, 141 N3, 141 122.5 +/- 5 &rst iat= 2373, 2372, 2371, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 141 N3, 141 C4, 141 120.6 +/- 5 &rst iat= 2372, 2371, 2367, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 141 C4, 141 N4, 141 118.3 +/- 5 &rst iat= 2371, 2367, 2368, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 141 C4, 141 C5, 141 121.6 +/- 5 &rst iat= 2371, 2367, 2365, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 141 C4, 141 C5, 141 120.1 +/- 5 &rst iat= 2368, 2367, 2365, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 141 N4, 141 H41, 141 120.0 +/- 5 &rst iat= 2367, 2368, 2369, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 141 N4, 141 H42, 141 120.0 +/- 5 &rst iat= 2367, 2368, 2370, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 141 N4, 141 H42, 141 120.0 +/- 5 &rst iat= 2369, 2368, 2370, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 141 C5, 141 C6, 141 116.9 +/- 5 &rst iat= 2367, 2365, 2363, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 141 C5, 141 H5, 141 121.6 +/- 5 &rst iat= 2367, 2365, 2366, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 141 C5, 141 H5, 141 121.6 +/- 5 &rst iat= 2363, 2365, 2366, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 141 C6, 141 C5, 141 121.1 +/- 5 &rst iat= 2362, 2363, 2365, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 141 C6, 141 H6, 141 119.5 +/- 5 &rst iat= 2362, 2363, 2364, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 141 C6, 141 H6, 141 119.4 +/- 5 &rst iat= 2365, 2363, 2364, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C2', 142 C1', 142 N1, 142 113.7 +/- 5 &rst iat= 2408, 2390, 2392, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 142 C1', 142 N1, 142 108.1 +/- 5 &rst iat= 2389, 2390, 2392, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 142 C1', 142 N1, 142 109.5 +/- 5 &rst iat= 2391, 2390, 2392, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 142 N1, 142 C2, 142 117.1 +/- 5 &rst iat= 2390, 2392, 2404, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 142 N1, 142 C6, 142 120.8 +/- 5 &rst iat= 2390, 2392, 2393, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 142 N1, 142 C6, 142 122.1 +/- 5 &rst iat= 2404, 2392, 2393, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 142 C2, 142 O2, 142 122.9 +/- 5 &rst iat= 2392, 2404, 2405, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 142 C2, 142 N3, 142 115.4 +/- 5 &rst iat= 2392, 2404, 2402, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 142 C2, 142 N3, 142 121.6 +/- 5 &rst iat= 2405, 2404, 2402, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 142 N3, 142 C4, 142 126.4 +/- 5 &rst iat= 2404, 2402, 2400, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 142 N3, 142 H3, 142 116.8 +/- 5 &rst iat= 2404, 2402, 2403, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 142 N3, 142 H3, 142 116.8 +/- 5 &rst iat= 2400, 2402, 2403, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 142 C4, 142 O4, 142 120.6 +/- 5 &rst iat= 2402, 2400, 2401, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 142 C4, 142 C5, 142 114.1 +/- 5 &rst iat= 2402, 2400, 2395, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 142 C4, 142 C5, 142 125.4 +/- 5 &rst iat= 2401, 2400, 2395, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 142 C5, 142 C6, 142 120.8 +/- 5 &rst iat= 2400, 2395, 2393, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 142 C5, 142 C7, 142 117.5 +/- 5 &rst iat= 2400, 2395, 2396, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 142 C5, 142 C7, 142 121.7 +/- 5 &rst iat= 2393, 2395, 2396, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 142 C6, 142 C5, 142 121.3 +/- 5 &rst iat= 2392, 2393, 2395, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 142 C6, 142 H6, 142 119.4 +/- 5 &rst iat= 2392, 2393, 2394, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 142 C6, 142 H6, 142 119.4 +/- 5 &rst iat= 2395, 2393, 2394, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 142 C7, 142 H71, 142 109.5 +/- 2 &rst iat= 2395, 2396, 2397, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 142 C7, 142 H72, 142 109.5 +/- 2 &rst iat= 2395, 2396, 2398, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 142 C7, 142 H73, 142 109.5 +/- 2 &rst iat= 2395, 2396, 2399, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 142 C7, 142 H72, 142 109.5 +/- 2 &rst iat= 2397, 2396, 2398, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 142 C7, 142 H73, 142 109.5 +/- 2 &rst iat= 2397, 2396, 2399, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 142 C7, 142 H73, 142 109.5 +/- 2 &rst iat= 2398, 2396, 2399, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C2', 143 C1', 143 N1, 143 113.7 +/- 5 &rst iat= 2440, 2422, 2424, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 143 C1', 143 N1, 143 108.1 +/- 5 &rst iat= 2421, 2422, 2424, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 143 C1', 143 N1, 143 109.5 +/- 5 &rst iat= 2423, 2422, 2424, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 143 N1, 143 C2, 143 117.1 +/- 5 &rst iat= 2422, 2424, 2436, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 143 N1, 143 C6, 143 120.8 +/- 5 &rst iat= 2422, 2424, 2425, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 143 N1, 143 C6, 143 122.1 +/- 5 &rst iat= 2436, 2424, 2425, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 143 C2, 143 O2, 143 122.9 +/- 5 &rst iat= 2424, 2436, 2437, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 143 C2, 143 N3, 143 115.4 +/- 5 &rst iat= 2424, 2436, 2434, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 143 C2, 143 N3, 143 121.6 +/- 5 &rst iat= 2437, 2436, 2434, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 143 N3, 143 C4, 143 126.4 +/- 5 &rst iat= 2436, 2434, 2432, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 143 N3, 143 H3, 143 116.8 +/- 5 &rst iat= 2436, 2434, 2435, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 143 N3, 143 H3, 143 116.8 +/- 5 &rst iat= 2432, 2434, 2435, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 143 C4, 143 O4, 143 120.6 +/- 5 &rst iat= 2434, 2432, 2433, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 143 C4, 143 C5, 143 114.1 +/- 5 &rst iat= 2434, 2432, 2427, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 143 C4, 143 C5, 143 125.4 +/- 5 &rst iat= 2433, 2432, 2427, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 143 C5, 143 C6, 143 120.8 +/- 5 &rst iat= 2432, 2427, 2425, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 143 C5, 143 C7, 143 117.5 +/- 5 &rst iat= 2432, 2427, 2428, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 143 C5, 143 C7, 143 121.7 +/- 5 &rst iat= 2425, 2427, 2428, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 143 C6, 143 C5, 143 121.3 +/- 5 &rst iat= 2424, 2425, 2427, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 143 C6, 143 H6, 143 119.4 +/- 5 &rst iat= 2424, 2425, 2426, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 143 C6, 143 H6, 143 119.4 +/- 5 &rst iat= 2427, 2425, 2426, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 143 C7, 143 H71, 143 109.5 +/- 2 &rst iat= 2427, 2428, 2429, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 143 C7, 143 H72, 143 109.5 +/- 2 &rst iat= 2427, 2428, 2430, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 143 C7, 143 H73, 143 109.5 +/- 2 &rst iat= 2427, 2428, 2431, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 143 C7, 143 H72, 143 109.5 +/- 2 &rst iat= 2429, 2428, 2430, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 143 C7, 143 H73, 143 109.5 +/- 2 &rst iat= 2429, 2428, 2431, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 143 C7, 143 H73, 143 109.5 +/- 2 &rst iat= 2430, 2428, 2431, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DC C2', 144 C1', 144 N1, 144 113.7 +/- 5 &rst iat= 2470, 2454, 2456, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 144 C1', 144 N1, 144 108.1 +/- 5 &rst iat= 2453, 2454, 2456, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 144 C1', 144 N1, 144 109.5 +/- 5 &rst iat= 2455, 2454, 2456, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 144 N1, 144 C2, 144 117.8 +/- 5 &rst iat= 2454, 2456, 2466, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 144 N1, 144 C6, 144 121.0 +/- 5 &rst iat= 2454, 2456, 2457, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 144 N1, 144 C6, 144 121.2 +/- 5 &rst iat= 2466, 2456, 2457, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 144 C2, 144 O2, 144 118.8 +/- 5 &rst iat= 2456, 2466, 2467, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 144 C2, 144 N3, 144 118.7 +/- 5 &rst iat= 2456, 2466, 2465, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 144 C2, 144 N3, 144 122.5 +/- 5 &rst iat= 2467, 2466, 2465, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 144 N3, 144 C4, 144 120.6 +/- 5 &rst iat= 2466, 2465, 2461, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 144 C4, 144 N4, 144 118.3 +/- 5 &rst iat= 2465, 2461, 2462, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 144 C4, 144 C5, 144 121.6 +/- 5 &rst iat= 2465, 2461, 2459, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 144 C4, 144 C5, 144 120.1 +/- 5 &rst iat= 2462, 2461, 2459, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 144 N4, 144 H41, 144 120.0 +/- 5 &rst iat= 2461, 2462, 2463, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 144 N4, 144 H42, 144 120.0 +/- 5 &rst iat= 2461, 2462, 2464, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 144 N4, 144 H42, 144 120.0 +/- 5 &rst iat= 2463, 2462, 2464, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 144 C5, 144 C6, 144 116.9 +/- 5 &rst iat= 2461, 2459, 2457, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 144 C5, 144 H5, 144 121.6 +/- 5 &rst iat= 2461, 2459, 2460, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 144 C5, 144 H5, 144 121.6 +/- 5 &rst iat= 2457, 2459, 2460, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 144 C6, 144 C5, 144 121.1 +/- 5 &rst iat= 2456, 2457, 2459, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 144 C6, 144 H6, 144 119.5 +/- 5 &rst iat= 2456, 2457, 2458, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 144 C6, 144 H6, 144 119.4 +/- 5 &rst iat= 2459, 2457, 2458, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DC C2', 145 C1', 145 N1, 145 113.7 +/- 5 &rst iat= 2500, 2484, 2486, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 145 C1', 145 N1, 145 108.1 +/- 5 &rst iat= 2483, 2484, 2486, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 145 C1', 145 N1, 145 109.5 +/- 5 &rst iat= 2485, 2484, 2486, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 145 N1, 145 C2, 145 117.8 +/- 5 &rst iat= 2484, 2486, 2496, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 145 N1, 145 C6, 145 121.0 +/- 5 &rst iat= 2484, 2486, 2487, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 145 N1, 145 C6, 145 121.2 +/- 5 &rst iat= 2496, 2486, 2487, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 145 C2, 145 O2, 145 118.8 +/- 5 &rst iat= 2486, 2496, 2497, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 145 C2, 145 N3, 145 118.7 +/- 5 &rst iat= 2486, 2496, 2495, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 145 C2, 145 N3, 145 122.5 +/- 5 &rst iat= 2497, 2496, 2495, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 145 N3, 145 C4, 145 120.6 +/- 5 &rst iat= 2496, 2495, 2491, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 145 C4, 145 N4, 145 118.3 +/- 5 &rst iat= 2495, 2491, 2492, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 145 C4, 145 C5, 145 121.6 +/- 5 &rst iat= 2495, 2491, 2489, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 145 C4, 145 C5, 145 120.1 +/- 5 &rst iat= 2492, 2491, 2489, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 145 N4, 145 H41, 145 120.0 +/- 5 &rst iat= 2491, 2492, 2493, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 145 N4, 145 H42, 145 120.0 +/- 5 &rst iat= 2491, 2492, 2494, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 145 N4, 145 H42, 145 120.0 +/- 5 &rst iat= 2493, 2492, 2494, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 145 C5, 145 C6, 145 116.9 +/- 5 &rst iat= 2491, 2489, 2487, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 145 C5, 145 H5, 145 121.6 +/- 5 &rst iat= 2491, 2489, 2490, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 145 C5, 145 H5, 145 121.6 +/- 5 &rst iat= 2487, 2489, 2490, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 145 C6, 145 C5, 145 121.1 +/- 5 &rst iat= 2486, 2487, 2489, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 145 C6, 145 H6, 145 119.5 +/- 5 &rst iat= 2486, 2487, 2488, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 145 C6, 145 H6, 145 119.4 +/- 5 &rst iat= 2489, 2487, 2488, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C2', 146 C1', 146 N1, 146 113.7 +/- 5 &rst iat= 2532, 2514, 2516, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 146 C1', 146 N1, 146 108.1 +/- 5 &rst iat= 2513, 2514, 2516, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 146 C1', 146 N1, 146 109.5 +/- 5 &rst iat= 2515, 2514, 2516, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 146 N1, 146 C2, 146 117.1 +/- 5 &rst iat= 2514, 2516, 2528, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 146 N1, 146 C6, 146 120.8 +/- 5 &rst iat= 2514, 2516, 2517, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 146 N1, 146 C6, 146 122.1 +/- 5 &rst iat= 2528, 2516, 2517, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 146 C2, 146 O2, 146 122.9 +/- 5 &rst iat= 2516, 2528, 2529, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 146 C2, 146 N3, 146 115.4 +/- 5 &rst iat= 2516, 2528, 2526, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 146 C2, 146 N3, 146 121.6 +/- 5 &rst iat= 2529, 2528, 2526, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 146 N3, 146 C4, 146 126.4 +/- 5 &rst iat= 2528, 2526, 2524, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 146 N3, 146 H3, 146 116.8 +/- 5 &rst iat= 2528, 2526, 2527, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 146 N3, 146 H3, 146 116.8 +/- 5 &rst iat= 2524, 2526, 2527, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 146 C4, 146 O4, 146 120.6 +/- 5 &rst iat= 2526, 2524, 2525, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 146 C4, 146 C5, 146 114.1 +/- 5 &rst iat= 2526, 2524, 2519, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 146 C4, 146 C5, 146 125.4 +/- 5 &rst iat= 2525, 2524, 2519, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 146 C5, 146 C6, 146 120.8 +/- 5 &rst iat= 2524, 2519, 2517, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 146 C5, 146 C7, 146 117.5 +/- 5 &rst iat= 2524, 2519, 2520, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 146 C5, 146 C7, 146 121.7 +/- 5 &rst iat= 2517, 2519, 2520, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 146 C6, 146 C5, 146 121.3 +/- 5 &rst iat= 2516, 2517, 2519, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 146 C6, 146 H6, 146 119.4 +/- 5 &rst iat= 2516, 2517, 2518, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 146 C6, 146 H6, 146 119.4 +/- 5 &rst iat= 2519, 2517, 2518, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 146 C7, 146 H71, 146 109.5 +/- 2 &rst iat= 2519, 2520, 2521, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 146 C7, 146 H72, 146 109.5 +/- 2 &rst iat= 2519, 2520, 2522, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 146 C7, 146 H73, 146 109.5 +/- 2 &rst iat= 2519, 2520, 2523, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 146 C7, 146 H72, 146 109.5 +/- 2 &rst iat= 2521, 2520, 2522, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 146 C7, 146 H73, 146 109.5 +/- 2 &rst iat= 2521, 2520, 2523, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 146 C7, 146 H73, 146 109.5 +/- 2 &rst iat= 2522, 2520, 2523, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DG C2', 147 C1', 147 N9, 147 113.7 +/- 5 &rst iat= 2565, 2546, 2548, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 147 C1', 147 N9, 147 108.1 +/- 5 &rst iat= 2545, 2546, 2548, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 147 C1', 147 N9, 147 109.5 +/- 5 &rst iat= 2547, 2546, 2548, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 147 N1, 147 C6, 147 125.2 +/- 5 &rst iat= 2557, 2555, 2553, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 147 N1, 147 H1, 147 117.4 +/- 5 &rst iat= 2557, 2555, 2556, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 147 N1, 147 H1, 147 117.4 +/- 5 &rst iat= 2553, 2555, 2556, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 147 C2, 147 N2, 147 116.1 +/- 5 &rst iat= 2555, 2557, 2558, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 147 C2, 147 N3, 147 123.3 +/- 5 &rst iat= 2555, 2557, 2561, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 147 C2, 147 N3, 147 120.6 +/- 5 &rst iat= 2558, 2557, 2561, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 147 N2, 147 H21, 147 120.0 +/- 5 &rst iat= 2557, 2558, 2559, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 147 N2, 147 H22, 147 120.0 +/- 5 &rst iat= 2557, 2558, 2560, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 147 N2, 147 H22, 147 120.0 +/- 5 &rst iat= 2559, 2558, 2560, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 147 N3, 147 C4, 147 112.2 +/- 5 &rst iat= 2557, 2561, 2562, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 147 C4, 147 C5, 147 128.5 +/- 5 &rst iat= 2561, 2562, 2552, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 147 C4, 147 N9, 147 125.1 +/- 5 &rst iat= 2561, 2562, 2548, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 147 C4, 147 N9, 147 106.4 +/- 5 &rst iat= 2552, 2562, 2548, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 147 C5, 147 C6, 147 119.3 +/- 5 &rst iat= 2562, 2552, 2553, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 147 C5, 147 N7, 147 110.6 +/- 5 &rst iat= 2562, 2552, 2551, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 147 C5, 147 N7, 147 130.1 +/- 5 &rst iat= 2553, 2552, 2551, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 147 C6, 147 C5, 147 111.4 +/- 5 &rst iat= 2555, 2553, 2552, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 147 C6, 147 O6, 147 119.8 +/- 5 &rst iat= 2555, 2553, 2554, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 147 C6, 147 O6, 147 128.8 +/- 5 &rst iat= 2552, 2553, 2554, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 147 N7, 147 C8, 147 103.8 +/- 5 &rst iat= 2552, 2551, 2549, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 147 C8, 147 N9, 147 114.0 +/- 5 &rst iat= 2551, 2549, 2548, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 147 C8, 147 H8, 147 123.0 +/- 5 &rst iat= 2551, 2549, 2550, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 147 C8, 147 H8, 147 123.0 +/- 5 &rst iat= 2548, 2549, 2550, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 147 N9, 147 C4, 147 125.6 +/- 5 &rst iat= 2546, 2548, 2562, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 147 N9, 147 C8, 147 129.2 +/- 5 &rst iat= 2546, 2548, 2549, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 147 N9, 147 C8, 147 105.2 +/- &rst iat= 2562, 2548, 2549, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DC C2', 148 C1', 148 N1, 148 113.7 +/- 5 &rst iat= 2595, 2579, 2581, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 148 C1', 148 N1, 148 108.1 +/- 5 &rst iat= 2578, 2579, 2581, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 148 C1', 148 N1, 148 109.5 +/- 5 &rst iat= 2580, 2579, 2581, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 148 N1, 148 C2, 148 117.8 +/- 5 &rst iat= 2579, 2581, 2591, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 148 N1, 148 C6, 148 121.0 +/- 5 &rst iat= 2579, 2581, 2582, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 148 N1, 148 C6, 148 121.2 +/- 5 &rst iat= 2591, 2581, 2582, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 148 C2, 148 O2, 148 118.8 +/- 5 &rst iat= 2581, 2591, 2592, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 148 C2, 148 N3, 148 118.7 +/- 5 &rst iat= 2581, 2591, 2590, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 148 C2, 148 N3, 148 122.5 +/- 5 &rst iat= 2592, 2591, 2590, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 148 N3, 148 C4, 148 120.6 +/- 5 &rst iat= 2591, 2590, 2586, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 148 C4, 148 N4, 148 118.3 +/- 5 &rst iat= 2590, 2586, 2587, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 148 C4, 148 C5, 148 121.6 +/- 5 &rst iat= 2590, 2586, 2584, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 148 C4, 148 C5, 148 120.1 +/- 5 &rst iat= 2587, 2586, 2584, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 148 N4, 148 H41, 148 120.0 +/- 5 &rst iat= 2586, 2587, 2588, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 148 N4, 148 H42, 148 120.0 +/- 5 &rst iat= 2586, 2587, 2589, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 148 N4, 148 H42, 148 120.0 +/- 5 &rst iat= 2588, 2587, 2589, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 148 C5, 148 C6, 148 116.9 +/- 5 &rst iat= 2586, 2584, 2582, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 148 C5, 148 H5, 148 121.6 +/- 5 &rst iat= 2586, 2584, 2585, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 148 C5, 148 H5, 148 121.6 +/- 5 &rst iat= 2582, 2584, 2585, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 148 C6, 148 C5, 148 121.1 +/- 5 &rst iat= 2581, 2582, 2584, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 148 C6, 148 H6, 148 119.5 +/- 5 &rst iat= 2581, 2582, 2583, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 148 C6, 148 H6, 148 119.4 +/- 5 &rst iat= 2584, 2582, 2583, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DC C2', 149 C1', 149 N1, 149 113.7 +/- 5 &rst iat= 2625, 2609, 2611, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 149 C1', 149 N1, 149 108.1 +/- 5 &rst iat= 2608, 2609, 2611, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 149 C1', 149 N1, 149 109.5 +/- 5 &rst iat= 2610, 2609, 2611, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 149 N1, 149 C2, 149 117.8 +/- 5 &rst iat= 2609, 2611, 2621, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 149 N1, 149 C6, 149 121.0 +/- 5 &rst iat= 2609, 2611, 2612, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 149 N1, 149 C6, 149 121.2 +/- 5 &rst iat= 2621, 2611, 2612, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 149 C2, 149 O2, 149 118.8 +/- 5 &rst iat= 2611, 2621, 2622, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 149 C2, 149 N3, 149 118.7 +/- 5 &rst iat= 2611, 2621, 2620, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 149 C2, 149 N3, 149 122.5 +/- 5 &rst iat= 2622, 2621, 2620, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 149 N3, 149 C4, 149 120.6 +/- 5 &rst iat= 2621, 2620, 2616, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 149 C4, 149 N4, 149 118.3 +/- 5 &rst iat= 2620, 2616, 2617, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 149 C4, 149 C5, 149 121.6 +/- 5 &rst iat= 2620, 2616, 2614, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 149 C4, 149 C5, 149 120.1 +/- 5 &rst iat= 2617, 2616, 2614, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 149 N4, 149 H41, 149 120.0 +/- 5 &rst iat= 2616, 2617, 2618, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 149 N4, 149 H42, 149 120.0 +/- 5 &rst iat= 2616, 2617, 2619, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 149 N4, 149 H42, 149 120.0 +/- 5 &rst iat= 2618, 2617, 2619, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 149 C5, 149 C6, 149 116.9 +/- 5 &rst iat= 2616, 2614, 2612, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 149 C5, 149 H5, 149 121.6 +/- 5 &rst iat= 2616, 2614, 2615, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 149 C5, 149 H5, 149 121.6 +/- 5 &rst iat= 2612, 2614, 2615, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 149 C6, 149 C5, 149 121.1 +/- 5 &rst iat= 2611, 2612, 2614, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 149 C6, 149 H6, 149 119.5 +/- 5 &rst iat= 2611, 2612, 2613, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 149 C6, 149 H6, 149 119.4 +/- 5 &rst iat= 2614, 2612, 2613, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DA C2', 150 C1', 150 N9, 150 113.7 +/- 5 &rst iat= 2657, 2639, 2641, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 150 C1', 150 N9, 150 108.1 +/- 5 &rst iat= 2638, 2639, 2641, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 150 C1', 150 N9, 150 109.5 +/- 5 &rst iat= 2640, 2639, 2641, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 150 N1, 150 C6, 150 118.8 +/- 5 &rst iat= 2651, 2650, 2646, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 150 C2, 150 N3, 150 129.2 +/- 5 &rst iat= 2650, 2651, 2653, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 150 C2, 150 H2, 150 115.4 +/- 5 &rst iat= 2650, 2651, 2652, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 150 C2, 150 H2, 150 115.4 +/- 5 &rst iat= 2653, 2651, 2652, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 150 N3, 150 C4, 150 110.8 +/- 5 &rst iat= 2651, 2653, 2654, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 150 C4, 150 C5, 150 126.7 +/- 5 &rst iat= 2653, 2654, 2645, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 150 C4, 150 N9, 150 127.2 +/- 5 &rst iat= 2653, 2654, 2641, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 150 C4, 150 N9, 150 106.1 +/- 5 &rst iat= 2645, 2654, 2641, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 150 C5, 150 C6, 150 117.1 +/- 5 &rst iat= 2654, 2645, 2646, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 150 C5, 150 N7, 150 110.5 +/- 5 &rst iat= 2654, 2645, 2644, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 150 C5, 150 N7, 150 132.4 +/- 5 &rst iat= 2646, 2645, 2644, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 150 C6, 150 C5, 150 117.4 +/- 5 &rst iat= 2650, 2646, 2645, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 150 C6, 150 N6, 150 119.1 +/- 5 &rst iat= 2650, 2646, 2647, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 150 C6, 150 N6, 150 123.5 +/- 5 &rst iat= 2645, 2646, 2647, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 150 N6, 150 H61, 150 120.0 +/- 5 &rst iat= 2646, 2647, 2648, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 150 N6, 150 H62, 150 120.0 +/- 5 &rst iat= 2646, 2647, 2649, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 150 N6, 150 H62, 150 120.0 +/- 5 &rst iat= 2648, 2647, 2649, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 150 N7, 150 C8, 150 104.0 +/- 5 &rst iat= 2645, 2644, 2642, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 150 C8, 150 N9, 150 113.8 +/- 5 &rst iat= 2644, 2642, 2641, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 150 C8, 150 H8, 150 123.1 +/- 5 &rst iat= 2644, 2642, 2643, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 150 C8, 150 H8, 150 123.1 +/- 5 &rst iat= 2641, 2642, 2643, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 150 N9, 150 C4, 150 126.0 +/- 5 &rst iat= 2639, 2641, 2654, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 150 N9, 150 C8, 150 128.4 +/- 5 &rst iat= 2639, 2641, 2642, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 150 N9, 150 C8, 150 105.6 +/- 5 &rst iat= 2654, 2641, 2642, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DA C2', 151 C1', 151 N9, 151 113.7 +/- 5 &rst iat= 2689, 2671, 2673, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 151 C1', 151 N9, 151 108.1 +/- 5 &rst iat= 2670, 2671, 2673, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 151 C1', 151 N9, 151 109.5 +/- 5 &rst iat= 2672, 2671, 2673, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 151 N1, 151 C6, 151 118.8 +/- 5 &rst iat= 2683, 2682, 2678, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 151 C2, 151 N3, 151 129.2 +/- 5 &rst iat= 2682, 2683, 2685, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 151 C2, 151 H2, 151 115.4 +/- 5 &rst iat= 2682, 2683, 2684, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 151 C2, 151 H2, 151 115.4 +/- 5 &rst iat= 2685, 2683, 2684, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 151 N3, 151 C4, 151 110.8 +/- 5 &rst iat= 2683, 2685, 2686, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 151 C4, 151 C5, 151 126.7 +/- 5 &rst iat= 2685, 2686, 2677, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 151 C4, 151 N9, 151 127.2 +/- 5 &rst iat= 2685, 2686, 2673, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 151 C4, 151 N9, 151 106.1 +/- 5 &rst iat= 2677, 2686, 2673, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 151 C5, 151 C6, 151 117.1 +/- 5 &rst iat= 2686, 2677, 2678, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 151 C5, 151 N7, 151 110.5 +/- 5 &rst iat= 2686, 2677, 2676, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 151 C5, 151 N7, 151 132.4 +/- 5 &rst iat= 2678, 2677, 2676, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 151 C6, 151 C5, 151 117.4 +/- 5 &rst iat= 2682, 2678, 2677, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 151 C6, 151 N6, 151 119.1 +/- 5 &rst iat= 2682, 2678, 2679, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 151 C6, 151 N6, 151 123.5 +/- 5 &rst iat= 2677, 2678, 2679, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 151 N6, 151 H61, 151 120.0 +/- 5 &rst iat= 2678, 2679, 2680, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 151 N6, 151 H62, 151 120.0 +/- 5 &rst iat= 2678, 2679, 2681, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 151 N6, 151 H62, 151 120.0 +/- 5 &rst iat= 2680, 2679, 2681, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 151 N7, 151 C8, 151 104.0 +/- 5 &rst iat= 2677, 2676, 2674, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 151 C8, 151 N9, 151 113.8 +/- 5 &rst iat= 2676, 2674, 2673, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 151 C8, 151 H8, 151 123.1 +/- 5 &rst iat= 2676, 2674, 2675, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 151 C8, 151 H8, 151 123.1 +/- 5 &rst iat= 2673, 2674, 2675, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 151 N9, 151 C4, 151 126.0 +/- 5 &rst iat= 2671, 2673, 2686, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 151 N9, 151 C8, 151 128.4 +/- 5 &rst iat= 2671, 2673, 2674, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 151 N9, 151 C8, 151 105.6 +/- 5 &rst iat= 2686, 2673, 2674, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DT C2', 152 C1', 152 N1, 152 113.7 +/- 5 &rst iat= 2721, 2703, 2705, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 152 C1', 152 N1, 152 108.1 +/- 5 &rst iat= 2702, 2703, 2705, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 152 C1', 152 N1, 152 109.5 +/- 5 &rst iat= 2704, 2703, 2705, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 152 N1, 152 C2, 152 117.1 +/- 5 &rst iat= 2703, 2705, 2717, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 152 N1, 152 C6, 152 120.8 +/- 5 &rst iat= 2703, 2705, 2706, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 152 N1, 152 C6, 152 122.1 +/- 5 &rst iat= 2717, 2705, 2706, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 152 C2, 152 O2, 152 122.9 +/- 5 &rst iat= 2705, 2717, 2718, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 152 C2, 152 N3, 152 115.4 +/- 5 &rst iat= 2705, 2717, 2715, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 152 C2, 152 N3, 152 121.6 +/- 5 &rst iat= 2718, 2717, 2715, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 152 N3, 152 C4, 152 126.4 +/- 5 &rst iat= 2717, 2715, 2713, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 152 N3, 152 H3, 152 116.8 +/- 5 &rst iat= 2717, 2715, 2716, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 152 N3, 152 H3, 152 116.8 +/- 5 &rst iat= 2713, 2715, 2716, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 152 C4, 152 O4, 152 120.6 +/- 5 &rst iat= 2715, 2713, 2714, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 152 C4, 152 C5, 152 114.1 +/- 5 &rst iat= 2715, 2713, 2708, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 152 C4, 152 C5, 152 125.4 +/- 5 &rst iat= 2714, 2713, 2708, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 152 C5, 152 C6, 152 120.8 +/- 5 &rst iat= 2713, 2708, 2706, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 152 C5, 152 C7, 152 117.5 +/- 5 &rst iat= 2713, 2708, 2709, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 152 C5, 152 C7, 152 121.7 +/- 5 &rst iat= 2706, 2708, 2709, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 152 C6, 152 C5, 152 121.3 +/- 5 &rst iat= 2705, 2706, 2708, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 152 C6, 152 H6, 152 119.4 +/- 5 &rst iat= 2705, 2706, 2707, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 152 C6, 152 H6, 152 119.4 +/- 5 &rst iat= 2708, 2706, 2707, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 152 C7, 152 H71, 152 109.5 +/- 2 &rst iat= 2708, 2709, 2710, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 152 C7, 152 H72, 152 109.5 +/- 2 &rst iat= 2708, 2709, 2711, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 152 C7, 152 H73, 152 109.5 +/- 2 &rst iat= 2708, 2709, 2712, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 152 C7, 152 H72, 152 109.5 +/- 2 &rst iat= 2710, 2709, 2711, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 152 C7, 152 H73, 152 109.5 +/- 2 &rst iat= 2710, 2709, 2712, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 152 C7, 152 H73, 152 109.5 +/- 2 &rst iat= 2711, 2709, 2712, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DA C2', 153 C1', 153 N9, 153 113.7 +/- 5 &rst iat= 2753, 2735, 2737, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 153 C1', 153 N9, 153 108.1 +/- 5 &rst iat= 2734, 2735, 2737, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 153 C1', 153 N9, 153 109.5 +/- 5 &rst iat= 2736, 2735, 2737, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 153 N1, 153 C6, 153 118.8 +/- 5 &rst iat= 2747, 2746, 2742, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 153 C2, 153 N3, 153 129.2 +/- 5 &rst iat= 2746, 2747, 2749, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 153 C2, 153 H2, 153 115.4 +/- 5 &rst iat= 2746, 2747, 2748, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 153 C2, 153 H2, 153 115.4 +/- 5 &rst iat= 2749, 2747, 2748, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 153 N3, 153 C4, 153 110.8 +/- 5 &rst iat= 2747, 2749, 2750, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 153 C4, 153 C5, 153 126.7 +/- 5 &rst iat= 2749, 2750, 2741, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 153 C4, 153 N9, 153 127.2 +/- 5 &rst iat= 2749, 2750, 2737, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 153 C4, 153 N9, 153 106.1 +/- 5 &rst iat= 2741, 2750, 2737, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 153 C5, 153 C6, 153 117.1 +/- 5 &rst iat= 2750, 2741, 2742, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 153 C5, 153 N7, 153 110.5 +/- 5 &rst iat= 2750, 2741, 2740, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 153 C5, 153 N7, 153 132.4 +/- 5 &rst iat= 2742, 2741, 2740, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 153 C6, 153 C5, 153 117.4 +/- 5 &rst iat= 2746, 2742, 2741, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 153 C6, 153 N6, 153 119.1 +/- 5 &rst iat= 2746, 2742, 2743, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 153 C6, 153 N6, 153 123.5 +/- 5 &rst iat= 2741, 2742, 2743, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 153 N6, 153 H61, 153 120.0 +/- 5 &rst iat= 2742, 2743, 2744, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 153 N6, 153 H62, 153 120.0 +/- 5 &rst iat= 2742, 2743, 2745, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 153 N6, 153 H62, 153 120.0 +/- 5 &rst iat= 2744, 2743, 2745, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 153 N7, 153 C8, 153 104.0 +/- 5 &rst iat= 2741, 2740, 2738, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 153 C8, 153 N9, 153 113.8 +/- 5 &rst iat= 2740, 2738, 2737, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 153 C8, 153 H8, 153 123.1 +/- 5 &rst iat= 2740, 2738, 2739, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 153 C8, 153 H8, 153 123.1 +/- 5 &rst iat= 2737, 2738, 2739, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 153 N9, 153 C4, 153 126.0 +/- 5 &rst iat= 2735, 2737, 2750, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 153 N9, 153 C8, 153 128.4 +/- 5 &rst iat= 2735, 2737, 2738, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 153 N9, 153 C8, 153 105.6 +/- 5 &rst iat= 2750, 2737, 2738, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DA C2', 154 C1', 154 N9, 154 113.7 +/- 5 &rst iat= 2785, 2767, 2769, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 154 C1', 154 N9, 154 108.1 +/- 5 &rst iat= 2766, 2767, 2769, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 154 C1', 154 N9, 154 109.5 +/- 5 &rst iat= 2768, 2767, 2769, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 154 N1, 154 C6, 154 118.8 +/- 5 &rst iat= 2779, 2778, 2774, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 154 C2, 154 N3, 154 129.2 +/- 5 &rst iat= 2778, 2779, 2781, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 154 C2, 154 H2, 154 115.4 +/- 5 &rst iat= 2778, 2779, 2780, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 154 C2, 154 H2, 154 115.4 +/- 5 &rst iat= 2781, 2779, 2780, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 154 N3, 154 C4, 154 110.8 +/- 5 &rst iat= 2779, 2781, 2782, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 154 C4, 154 C5, 154 126.7 +/- 5 &rst iat= 2781, 2782, 2773, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 154 C4, 154 N9, 154 127.2 +/- 5 &rst iat= 2781, 2782, 2769, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 154 C4, 154 N9, 154 106.1 +/- 5 &rst iat= 2773, 2782, 2769, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 154 C5, 154 C6, 154 117.1 +/- 5 &rst iat= 2782, 2773, 2774, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 154 C5, 154 N7, 154 110.5 +/- 5 &rst iat= 2782, 2773, 2772, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 154 C5, 154 N7, 154 132.4 +/- 5 &rst iat= 2774, 2773, 2772, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 154 C6, 154 C5, 154 117.4 +/- 5 &rst iat= 2778, 2774, 2773, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 154 C6, 154 N6, 154 119.1 +/- 5 &rst iat= 2778, 2774, 2775, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 154 C6, 154 N6, 154 123.5 +/- 5 &rst iat= 2773, 2774, 2775, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 154 N6, 154 H61, 154 120.0 +/- 5 &rst iat= 2774, 2775, 2776, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 154 N6, 154 H62, 154 120.0 +/- 5 &rst iat= 2774, 2775, 2777, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 154 N6, 154 H62, 154 120.0 +/- 5 &rst iat= 2776, 2775, 2777, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 154 N7, 154 C8, 154 104.0 +/- 5 &rst iat= 2773, 2772, 2770, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 154 C8, 154 N9, 154 113.8 +/- 5 &rst iat= 2772, 2770, 2769, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 154 C8, 154 H8, 154 123.1 +/- 5 &rst iat= 2772, 2770, 2771, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 154 C8, 154 H8, 154 123.1 +/- 5 &rst iat= 2769, 2770, 2771, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 154 N9, 154 C4, 154 126.0 +/- 5 &rst iat= 2767, 2769, 2782, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 154 N9, 154 C8, 154 128.4 +/- 5 &rst iat= 2767, 2769, 2770, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 154 N9, 154 C8, 154 105.6 +/- 5 &rst iat= 2782, 2769, 2770, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DC C2', 155 C1', 155 N1, 155 113.7 +/- 5 &rst iat= 2815, 2799, 2801, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 155 C1', 155 N1, 155 108.1 +/- 5 &rst iat= 2798, 2799, 2801, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 155 C1', 155 N1, 155 109.5 +/- 5 &rst iat= 2800, 2799, 2801, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 155 N1, 155 C2, 155 117.8 +/- 5 &rst iat= 2799, 2801, 2811, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 155 N1, 155 C6, 155 121.0 +/- 5 &rst iat= 2799, 2801, 2802, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 155 N1, 155 C6, 155 121.2 +/- 5 &rst iat= 2811, 2801, 2802, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 155 C2, 155 O2, 155 118.8 +/- 5 &rst iat= 2801, 2811, 2812, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 155 C2, 155 N3, 155 118.7 +/- 5 &rst iat= 2801, 2811, 2810, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 155 C2, 155 N3, 155 122.5 +/- 5 &rst iat= 2812, 2811, 2810, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 155 N3, 155 C4, 155 120.6 +/- 5 &rst iat= 2811, 2810, 2806, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 155 C4, 155 N4, 155 118.3 +/- 5 &rst iat= 2810, 2806, 2807, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 155 C4, 155 C5, 155 121.6 +/- 5 &rst iat= 2810, 2806, 2804, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 155 C4, 155 C5, 155 120.1 +/- 5 &rst iat= 2807, 2806, 2804, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 155 N4, 155 H41, 155 120.0 +/- 5 &rst iat= 2806, 2807, 2808, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 155 N4, 155 H42, 155 120.0 +/- 5 &rst iat= 2806, 2807, 2809, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 155 N4, 155 H42, 155 120.0 +/- 5 &rst iat= 2808, 2807, 2809, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 155 C5, 155 C6, 155 116.9 +/- 5 &rst iat= 2806, 2804, 2802, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 155 C5, 155 H5, 155 121.6 +/- 5 &rst iat= 2806, 2804, 2805, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 155 C5, 155 H5, 155 121.6 +/- 5 &rst iat= 2802, 2804, 2805, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 155 C6, 155 C5, 155 121.1 +/- 5 &rst iat= 2801, 2802, 2804, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 155 C6, 155 H6, 155 119.5 +/- 5 &rst iat= 2801, 2802, 2803, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 155 C6, 155 H6, 155 119.4 +/- 5 &rst iat= 2804, 2802, 2803, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DG3 C2', 156 C1', 156 N9, 156 113.7 +/- 5 &rst iat= 2848, 2829, 2831, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG3 O4', 156 C1', 156 N9, 156 108.1 +/- 5 &rst iat= 2828, 2829, 2831, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG3 H1', 156 C1', 156 N9, 156 109.5 +/- 5 &rst iat= 2830, 2829, 2831, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG3 C2, 156 N1, 156 C6, 156 125.2 +/- 5 &rst iat= 2840, 2838, 2836, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG3 C2, 156 N1, 156 H1, 156 117.4 +/- 5 &rst iat= 2840, 2838, 2839, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG3 C6, 156 N1, 156 H1, 156 117.4 +/- 5 &rst iat= 2836, 2838, 2839, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG3 N1, 156 C2, 156 N2, 156 116.1 +/- 5 &rst iat= 2838, 2840, 2841, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG3 N1, 156 C2, 156 N3, 156 123.3 +/- 5 &rst iat= 2838, 2840, 2844, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG3 N2, 156 C2, 156 N3, 156 120.6 +/- 5 &rst iat= 2841, 2840, 2844, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG3 C2, 156 N2, 156 H21, 156 120.0 +/- 5 &rst iat= 2840, 2841, 2842, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG3 C2, 156 N2, 156 H22, 156 120.0 +/- 5 &rst iat= 2840, 2841, 2843, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG3 H21, 156 N2, 156 H22, 156 120.0 +/- 5 &rst iat= 2842, 2841, 2843, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG3 C2, 156 N3, 156 C4, 156 112.2 +/- 5 &rst iat= 2840, 2844, 2845, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG3 N3, 156 C4, 156 C5, 156 128.5 +/- 5 &rst iat= 2844, 2845, 2835, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG3 N3, 156 C4, 156 N9, 156 125.1 +/- 5 &rst iat= 2844, 2845, 2831, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG3 C5, 156 C4, 156 N9, 156 106.4 +/- 5 &rst iat= 2835, 2845, 2831, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG3 C4, 156 C5, 156 C6, 156 119.3 +/- 5 &rst iat= 2845, 2835, 2836, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG3 C4, 156 C5, 156 N7, 156 110.6 +/- 5 &rst iat= 2845, 2835, 2834, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG3 C6, 156 C5, 156 N7, 156 130.1 +/- 5 &rst iat= 2836, 2835, 2834, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG3 N1, 156 C6, 156 C5, 156 111.4 +/- 5 &rst iat= 2838, 2836, 2835, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG3 N1, 156 C6, 156 O6, 156 119.8 +/- 5 &rst iat= 2838, 2836, 2837, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG3 C5, 156 C6, 156 O6, 156 128.8 +/- 5 &rst iat= 2835, 2836, 2837, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG3 C5, 156 N7, 156 C8, 156 103.8 +/- 5 &rst iat= 2835, 2834, 2832, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG3 N7, 156 C8, 156 N9, 156 114.0 +/- 5 &rst iat= 2834, 2832, 2831, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG3 N7, 156 C8, 156 H8, 156 123.0 +/- 5 &rst iat= 2834, 2832, 2833, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG3 N9, 156 C8, 156 H8, 156 123.0 +/- 5 &rst iat= 2831, 2832, 2833, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG3 C1', 156 N9, 156 C4, 156 125.6 +/- 5 &rst iat= 2829, 2831, 2845, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG3 C1', 156 N9, 156 C8, 156 129.2 +/- 5 &rst iat= 2829, 2831, 2832, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG3 C4, 156 N9, 156 C8, 156 105.2 +/- &rst iat= 2845, 2831, 2832, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DC5 C2', 157 C1', 157 N1, 157 113.7 +/- 5 &rst iat= 2877, 2861, 2863, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC5 O4', 157 C1', 157 N1, 157 108.1 +/- 5 &rst iat= 2860, 2861, 2863, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC5 H1', 157 C1', 157 N1, 157 109.5 +/- 5 &rst iat= 2862, 2861, 2863, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC5 C1', 157 N1, 157 C2, 157 117.8 +/- 5 &rst iat= 2861, 2863, 2873, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC5 C1', 157 N1, 157 C6, 157 121.0 +/- 5 &rst iat= 2861, 2863, 2864, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC5 C2, 157 N1, 157 C6, 157 121.2 +/- 5 &rst iat= 2873, 2863, 2864, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC5 N1, 157 C2, 157 O2, 157 118.8 +/- 5 &rst iat= 2863, 2873, 2874, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC5 N1, 157 C2, 157 N3, 157 118.7 +/- 5 &rst iat= 2863, 2873, 2872, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC5 O2, 157 C2, 157 N3, 157 122.5 +/- 5 &rst iat= 2874, 2873, 2872, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC5 C2, 157 N3, 157 C4, 157 120.6 +/- 5 &rst iat= 2873, 2872, 2868, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC5 N3, 157 C4, 157 N4, 157 118.3 +/- 5 &rst iat= 2872, 2868, 2869, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC5 N3, 157 C4, 157 C5, 157 121.6 +/- 5 &rst iat= 2872, 2868, 2866, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC5 N4, 157 C4, 157 C5, 157 120.1 +/- 5 &rst iat= 2869, 2868, 2866, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC5 C4, 157 N4, 157 H41, 157 120.0 +/- 5 &rst iat= 2868, 2869, 2870, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC5 C4, 157 N4, 157 H42, 157 120.0 +/- 5 &rst iat= 2868, 2869, 2871, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC5 H41, 157 N4, 157 H42, 157 120.0 +/- 5 &rst iat= 2870, 2869, 2871, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC5 C4, 157 C5, 157 C6, 157 116.9 +/- 5 &rst iat= 2868, 2866, 2864, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC5 C4, 157 C5, 157 H5, 157 121.6 +/- 5 &rst iat= 2868, 2866, 2867, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC5 C6, 157 C5, 157 H5, 157 121.6 +/- 5 &rst iat= 2864, 2866, 2867, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC5 N1, 157 C6, 157 C5, 157 121.1 +/- 5 &rst iat= 2863, 2864, 2866, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC5 N1, 157 C6, 157 H6, 157 119.5 +/- 5 &rst iat= 2863, 2864, 2865, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC5 C5, 157 C6, 157 H6, 157 119.4 +/- 5 &rst iat= 2866, 2864, 2865, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DG C2', 158 C1', 158 N9, 158 113.7 +/- 5 &rst iat= 2910, 2891, 2893, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 158 C1', 158 N9, 158 108.1 +/- 5 &rst iat= 2890, 2891, 2893, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 158 C1', 158 N9, 158 109.5 +/- 5 &rst iat= 2892, 2891, 2893, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 158 N1, 158 C6, 158 125.2 +/- 5 &rst iat= 2902, 2900, 2898, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 158 N1, 158 H1, 158 117.4 +/- 5 &rst iat= 2902, 2900, 2901, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 158 N1, 158 H1, 158 117.4 +/- 5 &rst iat= 2898, 2900, 2901, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 158 C2, 158 N2, 158 116.1 +/- 5 &rst iat= 2900, 2902, 2903, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 158 C2, 158 N3, 158 123.3 +/- 5 &rst iat= 2900, 2902, 2906, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 158 C2, 158 N3, 158 120.6 +/- 5 &rst iat= 2903, 2902, 2906, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 158 N2, 158 H21, 158 120.0 +/- 5 &rst iat= 2902, 2903, 2904, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 158 N2, 158 H22, 158 120.0 +/- 5 &rst iat= 2902, 2903, 2905, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 158 N2, 158 H22, 158 120.0 +/- 5 &rst iat= 2904, 2903, 2905, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 158 N3, 158 C4, 158 112.2 +/- 5 &rst iat= 2902, 2906, 2907, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 158 C4, 158 C5, 158 128.5 +/- 5 &rst iat= 2906, 2907, 2897, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 158 C4, 158 N9, 158 125.1 +/- 5 &rst iat= 2906, 2907, 2893, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 158 C4, 158 N9, 158 106.4 +/- 5 &rst iat= 2897, 2907, 2893, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 158 C5, 158 C6, 158 119.3 +/- 5 &rst iat= 2907, 2897, 2898, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 158 C5, 158 N7, 158 110.6 +/- 5 &rst iat= 2907, 2897, 2896, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 158 C5, 158 N7, 158 130.1 +/- 5 &rst iat= 2898, 2897, 2896, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 158 C6, 158 C5, 158 111.4 +/- 5 &rst iat= 2900, 2898, 2897, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 158 C6, 158 O6, 158 119.8 +/- 5 &rst iat= 2900, 2898, 2899, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 158 C6, 158 O6, 158 128.8 +/- 5 &rst iat= 2897, 2898, 2899, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 158 N7, 158 C8, 158 103.8 +/- 5 &rst iat= 2897, 2896, 2894, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 158 C8, 158 N9, 158 114.0 +/- 5 &rst iat= 2896, 2894, 2893, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 158 C8, 158 H8, 158 123.0 +/- 5 &rst iat= 2896, 2894, 2895, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 158 C8, 158 H8, 158 123.0 +/- 5 &rst iat= 2893, 2894, 2895, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 158 N9, 158 C4, 158 125.6 +/- 5 &rst iat= 2891, 2893, 2907, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 158 N9, 158 C8, 158 129.2 +/- 5 &rst iat= 2891, 2893, 2894, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 158 N9, 158 C8, 158 105.2 +/- &rst iat= 2907, 2893, 2894, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DT C2', 159 C1', 159 N1, 159 113.7 +/- 5 &rst iat= 2942, 2924, 2926, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 159 C1', 159 N1, 159 108.1 +/- 5 &rst iat= 2923, 2924, 2926, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 159 C1', 159 N1, 159 109.5 +/- 5 &rst iat= 2925, 2924, 2926, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 159 N1, 159 C2, 159 117.1 +/- 5 &rst iat= 2924, 2926, 2938, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 159 N1, 159 C6, 159 120.8 +/- 5 &rst iat= 2924, 2926, 2927, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 159 N1, 159 C6, 159 122.1 +/- 5 &rst iat= 2938, 2926, 2927, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 159 C2, 159 O2, 159 122.9 +/- 5 &rst iat= 2926, 2938, 2939, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 159 C2, 159 N3, 159 115.4 +/- 5 &rst iat= 2926, 2938, 2936, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 159 C2, 159 N3, 159 121.6 +/- 5 &rst iat= 2939, 2938, 2936, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 159 N3, 159 C4, 159 126.4 +/- 5 &rst iat= 2938, 2936, 2934, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 159 N3, 159 H3, 159 116.8 +/- 5 &rst iat= 2938, 2936, 2937, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 159 N3, 159 H3, 159 116.8 +/- 5 &rst iat= 2934, 2936, 2937, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 159 C4, 159 O4, 159 120.6 +/- 5 &rst iat= 2936, 2934, 2935, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 159 C4, 159 C5, 159 114.1 +/- 5 &rst iat= 2936, 2934, 2929, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 159 C4, 159 C5, 159 125.4 +/- 5 &rst iat= 2935, 2934, 2929, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 159 C5, 159 C6, 159 120.8 +/- 5 &rst iat= 2934, 2929, 2927, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 159 C5, 159 C7, 159 117.5 +/- 5 &rst iat= 2934, 2929, 2930, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 159 C5, 159 C7, 159 121.7 +/- 5 &rst iat= 2927, 2929, 2930, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 159 C6, 159 C5, 159 121.3 +/- 5 &rst iat= 2926, 2927, 2929, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 159 C6, 159 H6, 159 119.4 +/- 5 &rst iat= 2926, 2927, 2928, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 159 C6, 159 H6, 159 119.4 +/- 5 &rst iat= 2929, 2927, 2928, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 159 C7, 159 H71, 159 109.5 +/- 2 &rst iat= 2929, 2930, 2931, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 159 C7, 159 H72, 159 109.5 +/- 2 &rst iat= 2929, 2930, 2932, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 159 C7, 159 H73, 159 109.5 +/- 2 &rst iat= 2929, 2930, 2933, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 159 C7, 159 H72, 159 109.5 +/- 2 &rst iat= 2931, 2930, 2932, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 159 C7, 159 H73, 159 109.5 +/- 2 &rst iat= 2931, 2930, 2933, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 159 C7, 159 H73, 159 109.5 +/- 2 &rst iat= 2932, 2930, 2933, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C2', 160 C1', 160 N1, 160 113.7 +/- 5 &rst iat= 2974, 2956, 2958, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 160 C1', 160 N1, 160 108.1 +/- 5 &rst iat= 2955, 2956, 2958, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 160 C1', 160 N1, 160 109.5 +/- 5 &rst iat= 2957, 2956, 2958, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 160 N1, 160 C2, 160 117.1 +/- 5 &rst iat= 2956, 2958, 2970, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 160 N1, 160 C6, 160 120.8 +/- 5 &rst iat= 2956, 2958, 2959, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 160 N1, 160 C6, 160 122.1 +/- 5 &rst iat= 2970, 2958, 2959, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 160 C2, 160 O2, 160 122.9 +/- 5 &rst iat= 2958, 2970, 2971, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 160 C2, 160 N3, 160 115.4 +/- 5 &rst iat= 2958, 2970, 2968, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 160 C2, 160 N3, 160 121.6 +/- 5 &rst iat= 2971, 2970, 2968, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 160 N3, 160 C4, 160 126.4 +/- 5 &rst iat= 2970, 2968, 2966, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 160 N3, 160 H3, 160 116.8 +/- 5 &rst iat= 2970, 2968, 2969, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 160 N3, 160 H3, 160 116.8 +/- 5 &rst iat= 2966, 2968, 2969, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 160 C4, 160 O4, 160 120.6 +/- 5 &rst iat= 2968, 2966, 2967, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 160 C4, 160 C5, 160 114.1 +/- 5 &rst iat= 2968, 2966, 2961, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 160 C4, 160 C5, 160 125.4 +/- 5 &rst iat= 2967, 2966, 2961, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 160 C5, 160 C6, 160 120.8 +/- 5 &rst iat= 2966, 2961, 2959, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 160 C5, 160 C7, 160 117.5 +/- 5 &rst iat= 2966, 2961, 2962, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 160 C5, 160 C7, 160 121.7 +/- 5 &rst iat= 2959, 2961, 2962, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 160 C6, 160 C5, 160 121.3 +/- 5 &rst iat= 2958, 2959, 2961, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 160 C6, 160 H6, 160 119.4 +/- 5 &rst iat= 2958, 2959, 2960, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 160 C6, 160 H6, 160 119.4 +/- 5 &rst iat= 2961, 2959, 2960, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 160 C7, 160 H71, 160 109.5 +/- 2 &rst iat= 2961, 2962, 2963, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 160 C7, 160 H72, 160 109.5 +/- 2 &rst iat= 2961, 2962, 2964, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 160 C7, 160 H73, 160 109.5 +/- 2 &rst iat= 2961, 2962, 2965, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 160 C7, 160 H72, 160 109.5 +/- 2 &rst iat= 2963, 2962, 2964, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 160 C7, 160 H73, 160 109.5 +/- 2 &rst iat= 2963, 2962, 2965, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 160 C7, 160 H73, 160 109.5 +/- 2 &rst iat= 2964, 2962, 2965, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DA C2', 161 C1', 161 N9, 161 113.7 +/- 5 &rst iat= 3006, 2988, 2990, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 161 C1', 161 N9, 161 108.1 +/- 5 &rst iat= 2987, 2988, 2990, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 161 C1', 161 N9, 161 109.5 +/- 5 &rst iat= 2989, 2988, 2990, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 161 N1, 161 C6, 161 118.8 +/- 5 &rst iat= 3000, 2999, 2995, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 161 C2, 161 N3, 161 129.2 +/- 5 &rst iat= 2999, 3000, 3002, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 161 C2, 161 H2, 161 115.4 +/- 5 &rst iat= 2999, 3000, 3001, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 161 C2, 161 H2, 161 115.4 +/- 5 &rst iat= 3002, 3000, 3001, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 161 N3, 161 C4, 161 110.8 +/- 5 &rst iat= 3000, 3002, 3003, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 161 C4, 161 C5, 161 126.7 +/- 5 &rst iat= 3002, 3003, 2994, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 161 C4, 161 N9, 161 127.2 +/- 5 &rst iat= 3002, 3003, 2990, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 161 C4, 161 N9, 161 106.1 +/- 5 &rst iat= 2994, 3003, 2990, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 161 C5, 161 C6, 161 117.1 +/- 5 &rst iat= 3003, 2994, 2995, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 161 C5, 161 N7, 161 110.5 +/- 5 &rst iat= 3003, 2994, 2993, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 161 C5, 161 N7, 161 132.4 +/- 5 &rst iat= 2995, 2994, 2993, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 161 C6, 161 C5, 161 117.4 +/- 5 &rst iat= 2999, 2995, 2994, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 161 C6, 161 N6, 161 119.1 +/- 5 &rst iat= 2999, 2995, 2996, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 161 C6, 161 N6, 161 123.5 +/- 5 &rst iat= 2994, 2995, 2996, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 161 N6, 161 H61, 161 120.0 +/- 5 &rst iat= 2995, 2996, 2997, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 161 N6, 161 H62, 161 120.0 +/- 5 &rst iat= 2995, 2996, 2998, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 161 N6, 161 H62, 161 120.0 +/- 5 &rst iat= 2997, 2996, 2998, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 161 N7, 161 C8, 161 104.0 +/- 5 &rst iat= 2994, 2993, 2991, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 161 C8, 161 N9, 161 113.8 +/- 5 &rst iat= 2993, 2991, 2990, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 161 C8, 161 H8, 161 123.1 +/- 5 &rst iat= 2993, 2991, 2992, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 161 C8, 161 H8, 161 123.1 +/- 5 &rst iat= 2990, 2991, 2992, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 161 N9, 161 C4, 161 126.0 +/- 5 &rst iat= 2988, 2990, 3003, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 161 N9, 161 C8, 161 128.4 +/- 5 &rst iat= 2988, 2990, 2991, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 161 N9, 161 C8, 161 105.6 +/- 5 &rst iat= 3003, 2990, 2991, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DT C2', 162 C1', 162 N1, 162 113.7 +/- 5 &rst iat= 3038, 3020, 3022, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 162 C1', 162 N1, 162 108.1 +/- 5 &rst iat= 3019, 3020, 3022, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 162 C1', 162 N1, 162 109.5 +/- 5 &rst iat= 3021, 3020, 3022, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 162 N1, 162 C2, 162 117.1 +/- 5 &rst iat= 3020, 3022, 3034, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 162 N1, 162 C6, 162 120.8 +/- 5 &rst iat= 3020, 3022, 3023, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 162 N1, 162 C6, 162 122.1 +/- 5 &rst iat= 3034, 3022, 3023, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 162 C2, 162 O2, 162 122.9 +/- 5 &rst iat= 3022, 3034, 3035, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 162 C2, 162 N3, 162 115.4 +/- 5 &rst iat= 3022, 3034, 3032, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 162 C2, 162 N3, 162 121.6 +/- 5 &rst iat= 3035, 3034, 3032, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 162 N3, 162 C4, 162 126.4 +/- 5 &rst iat= 3034, 3032, 3030, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 162 N3, 162 H3, 162 116.8 +/- 5 &rst iat= 3034, 3032, 3033, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 162 N3, 162 H3, 162 116.8 +/- 5 &rst iat= 3030, 3032, 3033, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 162 C4, 162 O4, 162 120.6 +/- 5 &rst iat= 3032, 3030, 3031, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 162 C4, 162 C5, 162 114.1 +/- 5 &rst iat= 3032, 3030, 3025, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 162 C4, 162 C5, 162 125.4 +/- 5 &rst iat= 3031, 3030, 3025, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 162 C5, 162 C6, 162 120.8 +/- 5 &rst iat= 3030, 3025, 3023, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 162 C5, 162 C7, 162 117.5 +/- 5 &rst iat= 3030, 3025, 3026, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 162 C5, 162 C7, 162 121.7 +/- 5 &rst iat= 3023, 3025, 3026, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 162 C6, 162 C5, 162 121.3 +/- 5 &rst iat= 3022, 3023, 3025, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 162 C6, 162 H6, 162 119.4 +/- 5 &rst iat= 3022, 3023, 3024, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 162 C6, 162 H6, 162 119.4 +/- 5 &rst iat= 3025, 3023, 3024, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 162 C7, 162 H71, 162 109.5 +/- 2 &rst iat= 3025, 3026, 3027, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 162 C7, 162 H72, 162 109.5 +/- 2 &rst iat= 3025, 3026, 3028, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 162 C7, 162 H73, 162 109.5 +/- 2 &rst iat= 3025, 3026, 3029, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 162 C7, 162 H72, 162 109.5 +/- 2 &rst iat= 3027, 3026, 3028, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 162 C7, 162 H73, 162 109.5 +/- 2 &rst iat= 3027, 3026, 3029, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 162 C7, 162 H73, 162 109.5 +/- 2 &rst iat= 3028, 3026, 3029, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C2', 163 C1', 163 N1, 163 113.7 +/- 5 &rst iat= 3070, 3052, 3054, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DT O4', 163 C1', 163 N1, 163 108.1 +/- 5 &rst iat= 3051, 3052, 3054, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DT H1', 163 C1', 163 N1, 163 109.5 +/- 5 &rst iat= 3053, 3052, 3054, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DT C1', 163 N1, 163 C2, 163 117.1 +/- 5 &rst iat= 3052, 3054, 3066, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DT C1', 163 N1, 163 C6, 163 120.8 +/- 5 &rst iat= 3052, 3054, 3055, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C2, 163 N1, 163 C6, 163 122.1 +/- 5 &rst iat= 3066, 3054, 3055, r1= 117.1, r2= 122.1, r3= 122.1, r4= 127.1, &end # angle DT N1, 163 C2, 163 O2, 163 122.9 +/- 5 &rst iat= 3054, 3066, 3067, r1= 117.9, r2= 122.9, r3= 122.9, r4= 127.9, &end # angle DT N1, 163 C2, 163 N3, 163 115.4 +/- 5 &rst iat= 3054, 3066, 3064, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DT O2, 163 C2, 163 N3, 163 121.6 +/- 5 &rst iat= 3067, 3066, 3064, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DT C2, 163 N3, 163 C4, 163 126.4 +/- 5 &rst iat= 3066, 3064, 3062, r1= 121.4, r2= 126.4, r3= 126.4, r4= 131.4, &end # angle DT C2, 163 N3, 163 H3, 163 116.8 +/- 5 &rst iat= 3066, 3064, 3065, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT C4, 163 N3, 163 H3, 163 116.8 +/- 5 &rst iat= 3062, 3064, 3065, r1= 111.8, r2= 116.8, r3= 116.8, r4= 121.8, &end # angle DT N3, 163 C4, 163 O4, 163 120.6 +/- 5 &rst iat= 3064, 3062, 3063, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DT N3, 163 C4, 163 C5, 163 114.1 +/- 5 &rst iat= 3064, 3062, 3057, r1= 109.1, r2= 114.1, r3= 114.1, r4= 119.1, &end # angle DT O4, 163 C4, 163 C5, 163 125.4 +/- 5 &rst iat= 3063, 3062, 3057, r1= 120.4, r2= 125.4, r3= 125.4, r4= 130.4, &end # angle DT C4, 163 C5, 163 C6, 163 120.8 +/- 5 &rst iat= 3062, 3057, 3055, r1= 115.8, r2= 120.8, r3= 120.8, r4= 125.8, &end # angle DT C4, 163 C5, 163 C7, 163 117.5 +/- 5 &rst iat= 3062, 3057, 3058, r1= 112.5, r2= 117.5, r3= 117.5, r4= 122.5, &end # angle DT C6, 163 C5, 163 C7, 163 121.7 +/- 5 &rst iat= 3055, 3057, 3058, r1= 116.7, r2= 121.7, r3= 121.7, r4= 126.7, &end # angle DT N1, 163 C6, 163 C5, 163 121.3 +/- 5 &rst iat= 3054, 3055, 3057, r1= 116.3, r2= 121.3, r3= 121.3, r4= 126.3, &end # angle DT N1, 163 C6, 163 H6, 163 119.4 +/- 5 &rst iat= 3054, 3055, 3056, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 163 C6, 163 H6, 163 119.4 +/- 5 &rst iat= 3057, 3055, 3056, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DT C5, 163 C7, 163 H71, 163 109.5 +/- 2 &rst iat= 3057, 3058, 3059, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 163 C7, 163 H72, 163 109.5 +/- 2 &rst iat= 3057, 3058, 3060, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT C5, 163 C7, 163 H73, 163 109.5 +/- 2 &rst iat= 3057, 3058, 3061, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 163 C7, 163 H72, 163 109.5 +/- 2 &rst iat= 3059, 3058, 3060, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H71, 163 C7, 163 H73, 163 109.5 +/- 2 &rst iat= 3059, 3058, 3061, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DT H72, 163 C7, 163 H73, 163 109.5 +/- 2 &rst iat= 3060, 3058, 3061, r1= 107.5, r2= 109.5, r3= 109.5, r4= 111.5, &end # angle DG C2', 164 C1', 164 N9, 164 113.7 +/- 5 &rst iat= 3103, 3084, 3086, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 164 C1', 164 N9, 164 108.1 +/- 5 &rst iat= 3083, 3084, 3086, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 164 C1', 164 N9, 164 109.5 +/- 5 &rst iat= 3085, 3084, 3086, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 164 N1, 164 C6, 164 125.2 +/- 5 &rst iat= 3095, 3093, 3091, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 164 N1, 164 H1, 164 117.4 +/- 5 &rst iat= 3095, 3093, 3094, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 164 N1, 164 H1, 164 117.4 +/- 5 &rst iat= 3091, 3093, 3094, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 164 C2, 164 N2, 164 116.1 +/- 5 &rst iat= 3093, 3095, 3096, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 164 C2, 164 N3, 164 123.3 +/- 5 &rst iat= 3093, 3095, 3099, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 164 C2, 164 N3, 164 120.6 +/- 5 &rst iat= 3096, 3095, 3099, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 164 N2, 164 H21, 164 120.0 +/- 5 &rst iat= 3095, 3096, 3097, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 164 N2, 164 H22, 164 120.0 +/- 5 &rst iat= 3095, 3096, 3098, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 164 N2, 164 H22, 164 120.0 +/- 5 &rst iat= 3097, 3096, 3098, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 164 N3, 164 C4, 164 112.2 +/- 5 &rst iat= 3095, 3099, 3100, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 164 C4, 164 C5, 164 128.5 +/- 5 &rst iat= 3099, 3100, 3090, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 164 C4, 164 N9, 164 125.1 +/- 5 &rst iat= 3099, 3100, 3086, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 164 C4, 164 N9, 164 106.4 +/- 5 &rst iat= 3090, 3100, 3086, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 164 C5, 164 C6, 164 119.3 +/- 5 &rst iat= 3100, 3090, 3091, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 164 C5, 164 N7, 164 110.6 +/- 5 &rst iat= 3100, 3090, 3089, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 164 C5, 164 N7, 164 130.1 +/- 5 &rst iat= 3091, 3090, 3089, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 164 C6, 164 C5, 164 111.4 +/- 5 &rst iat= 3093, 3091, 3090, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 164 C6, 164 O6, 164 119.8 +/- 5 &rst iat= 3093, 3091, 3092, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 164 C6, 164 O6, 164 128.8 +/- 5 &rst iat= 3090, 3091, 3092, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 164 N7, 164 C8, 164 103.8 +/- 5 &rst iat= 3090, 3089, 3087, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 164 C8, 164 N9, 164 114.0 +/- 5 &rst iat= 3089, 3087, 3086, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 164 C8, 164 H8, 164 123.0 +/- 5 &rst iat= 3089, 3087, 3088, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 164 C8, 164 H8, 164 123.0 +/- 5 &rst iat= 3086, 3087, 3088, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 164 N9, 164 C4, 164 125.6 +/- 5 &rst iat= 3084, 3086, 3100, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 164 N9, 164 C8, 164 129.2 +/- 5 &rst iat= 3084, 3086, 3087, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 164 N9, 164 C8, 164 105.2 +/- &rst iat= 3100, 3086, 3087, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DG C2', 165 C1', 165 N9, 165 113.7 +/- 5 &rst iat= 3136, 3117, 3119, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 165 C1', 165 N9, 165 108.1 +/- 5 &rst iat= 3116, 3117, 3119, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 165 C1', 165 N9, 165 109.5 +/- 5 &rst iat= 3118, 3117, 3119, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 165 N1, 165 C6, 165 125.2 +/- 5 &rst iat= 3128, 3126, 3124, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 165 N1, 165 H1, 165 117.4 +/- 5 &rst iat= 3128, 3126, 3127, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 165 N1, 165 H1, 165 117.4 +/- 5 &rst iat= 3124, 3126, 3127, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 165 C2, 165 N2, 165 116.1 +/- 5 &rst iat= 3126, 3128, 3129, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 165 C2, 165 N3, 165 123.3 +/- 5 &rst iat= 3126, 3128, 3132, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 165 C2, 165 N3, 165 120.6 +/- 5 &rst iat= 3129, 3128, 3132, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 165 N2, 165 H21, 165 120.0 +/- 5 &rst iat= 3128, 3129, 3130, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 165 N2, 165 H22, 165 120.0 +/- 5 &rst iat= 3128, 3129, 3131, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 165 N2, 165 H22, 165 120.0 +/- 5 &rst iat= 3130, 3129, 3131, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 165 N3, 165 C4, 165 112.2 +/- 5 &rst iat= 3128, 3132, 3133, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 165 C4, 165 C5, 165 128.5 +/- 5 &rst iat= 3132, 3133, 3123, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 165 C4, 165 N9, 165 125.1 +/- 5 &rst iat= 3132, 3133, 3119, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 165 C4, 165 N9, 165 106.4 +/- 5 &rst iat= 3123, 3133, 3119, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 165 C5, 165 C6, 165 119.3 +/- 5 &rst iat= 3133, 3123, 3124, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 165 C5, 165 N7, 165 110.6 +/- 5 &rst iat= 3133, 3123, 3122, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 165 C5, 165 N7, 165 130.1 +/- 5 &rst iat= 3124, 3123, 3122, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 165 C6, 165 C5, 165 111.4 +/- 5 &rst iat= 3126, 3124, 3123, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 165 C6, 165 O6, 165 119.8 +/- 5 &rst iat= 3126, 3124, 3125, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 165 C6, 165 O6, 165 128.8 +/- 5 &rst iat= 3123, 3124, 3125, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 165 N7, 165 C8, 165 103.8 +/- 5 &rst iat= 3123, 3122, 3120, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 165 C8, 165 N9, 165 114.0 +/- 5 &rst iat= 3122, 3120, 3119, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 165 C8, 165 H8, 165 123.0 +/- 5 &rst iat= 3122, 3120, 3121, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 165 C8, 165 H8, 165 123.0 +/- 5 &rst iat= 3119, 3120, 3121, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 165 N9, 165 C4, 165 125.6 +/- 5 &rst iat= 3117, 3119, 3133, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 165 N9, 165 C8, 165 129.2 +/- 5 &rst iat= 3117, 3119, 3120, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 165 N9, 165 C8, 165 105.2 +/- &rst iat= 3133, 3119, 3120, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DC C2', 166 C1', 166 N1, 166 113.7 +/- 5 &rst iat= 3166, 3150, 3152, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 166 C1', 166 N1, 166 108.1 +/- 5 &rst iat= 3149, 3150, 3152, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 166 C1', 166 N1, 166 109.5 +/- 5 &rst iat= 3151, 3150, 3152, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 166 N1, 166 C2, 166 117.8 +/- 5 &rst iat= 3150, 3152, 3162, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 166 N1, 166 C6, 166 121.0 +/- 5 &rst iat= 3150, 3152, 3153, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 166 N1, 166 C6, 166 121.2 +/- 5 &rst iat= 3162, 3152, 3153, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 166 C2, 166 O2, 166 118.8 +/- 5 &rst iat= 3152, 3162, 3163, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 166 C2, 166 N3, 166 118.7 +/- 5 &rst iat= 3152, 3162, 3161, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 166 C2, 166 N3, 166 122.5 +/- 5 &rst iat= 3163, 3162, 3161, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 166 N3, 166 C4, 166 120.6 +/- 5 &rst iat= 3162, 3161, 3157, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 166 C4, 166 N4, 166 118.3 +/- 5 &rst iat= 3161, 3157, 3158, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 166 C4, 166 C5, 166 121.6 +/- 5 &rst iat= 3161, 3157, 3155, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 166 C4, 166 C5, 166 120.1 +/- 5 &rst iat= 3158, 3157, 3155, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 166 N4, 166 H41, 166 120.0 +/- 5 &rst iat= 3157, 3158, 3159, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 166 N4, 166 H42, 166 120.0 +/- 5 &rst iat= 3157, 3158, 3160, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 166 N4, 166 H42, 166 120.0 +/- 5 &rst iat= 3159, 3158, 3160, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 166 C5, 166 C6, 166 116.9 +/- 5 &rst iat= 3157, 3155, 3153, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 166 C5, 166 H5, 166 121.6 +/- 5 &rst iat= 3157, 3155, 3156, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 166 C5, 166 H5, 166 121.6 +/- 5 &rst iat= 3153, 3155, 3156, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 166 C6, 166 C5, 166 121.1 +/- 5 &rst iat= 3152, 3153, 3155, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 166 C6, 166 H6, 166 119.5 +/- 5 &rst iat= 3152, 3153, 3154, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 166 C6, 166 H6, 166 119.4 +/- 5 &rst iat= 3155, 3153, 3154, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DA C2', 167 C1', 167 N9, 167 113.7 +/- 5 &rst iat= 3198, 3180, 3182, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 167 C1', 167 N9, 167 108.1 +/- 5 &rst iat= 3179, 3180, 3182, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 167 C1', 167 N9, 167 109.5 +/- 5 &rst iat= 3181, 3180, 3182, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 167 N1, 167 C6, 167 118.8 +/- 5 &rst iat= 3192, 3191, 3187, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 167 C2, 167 N3, 167 129.2 +/- 5 &rst iat= 3191, 3192, 3194, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 167 C2, 167 H2, 167 115.4 +/- 5 &rst iat= 3191, 3192, 3193, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 167 C2, 167 H2, 167 115.4 +/- 5 &rst iat= 3194, 3192, 3193, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 167 N3, 167 C4, 167 110.8 +/- 5 &rst iat= 3192, 3194, 3195, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 167 C4, 167 C5, 167 126.7 +/- 5 &rst iat= 3194, 3195, 3186, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 167 C4, 167 N9, 167 127.2 +/- 5 &rst iat= 3194, 3195, 3182, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 167 C4, 167 N9, 167 106.1 +/- 5 &rst iat= 3186, 3195, 3182, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 167 C5, 167 C6, 167 117.1 +/- 5 &rst iat= 3195, 3186, 3187, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 167 C5, 167 N7, 167 110.5 +/- 5 &rst iat= 3195, 3186, 3185, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 167 C5, 167 N7, 167 132.4 +/- 5 &rst iat= 3187, 3186, 3185, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 167 C6, 167 C5, 167 117.4 +/- 5 &rst iat= 3191, 3187, 3186, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 167 C6, 167 N6, 167 119.1 +/- 5 &rst iat= 3191, 3187, 3188, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 167 C6, 167 N6, 167 123.5 +/- 5 &rst iat= 3186, 3187, 3188, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 167 N6, 167 H61, 167 120.0 +/- 5 &rst iat= 3187, 3188, 3189, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 167 N6, 167 H62, 167 120.0 +/- 5 &rst iat= 3187, 3188, 3190, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 167 N6, 167 H62, 167 120.0 +/- 5 &rst iat= 3189, 3188, 3190, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 167 N7, 167 C8, 167 104.0 +/- 5 &rst iat= 3186, 3185, 3183, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 167 C8, 167 N9, 167 113.8 +/- 5 &rst iat= 3185, 3183, 3182, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 167 C8, 167 H8, 167 123.1 +/- 5 &rst iat= 3185, 3183, 3184, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 167 C8, 167 H8, 167 123.1 +/- 5 &rst iat= 3182, 3183, 3184, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 167 N9, 167 C4, 167 126.0 +/- 5 &rst iat= 3180, 3182, 3195, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 167 N9, 167 C8, 167 128.4 +/- 5 &rst iat= 3180, 3182, 3183, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 167 N9, 167 C8, 167 105.6 +/- 5 &rst iat= 3195, 3182, 3183, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DG C2', 168 C1', 168 N9, 168 113.7 +/- 5 &rst iat= 3231, 3212, 3214, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 168 C1', 168 N9, 168 108.1 +/- 5 &rst iat= 3211, 3212, 3214, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 168 C1', 168 N9, 168 109.5 +/- 5 &rst iat= 3213, 3212, 3214, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 168 N1, 168 C6, 168 125.2 +/- 5 &rst iat= 3223, 3221, 3219, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 168 N1, 168 H1, 168 117.4 +/- 5 &rst iat= 3223, 3221, 3222, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 168 N1, 168 H1, 168 117.4 +/- 5 &rst iat= 3219, 3221, 3222, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 168 C2, 168 N2, 168 116.1 +/- 5 &rst iat= 3221, 3223, 3224, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 168 C2, 168 N3, 168 123.3 +/- 5 &rst iat= 3221, 3223, 3227, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 168 C2, 168 N3, 168 120.6 +/- 5 &rst iat= 3224, 3223, 3227, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 168 N2, 168 H21, 168 120.0 +/- 5 &rst iat= 3223, 3224, 3225, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 168 N2, 168 H22, 168 120.0 +/- 5 &rst iat= 3223, 3224, 3226, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 168 N2, 168 H22, 168 120.0 +/- 5 &rst iat= 3225, 3224, 3226, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 168 N3, 168 C4, 168 112.2 +/- 5 &rst iat= 3223, 3227, 3228, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 168 C4, 168 C5, 168 128.5 +/- 5 &rst iat= 3227, 3228, 3218, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 168 C4, 168 N9, 168 125.1 +/- 5 &rst iat= 3227, 3228, 3214, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 168 C4, 168 N9, 168 106.4 +/- 5 &rst iat= 3218, 3228, 3214, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 168 C5, 168 C6, 168 119.3 +/- 5 &rst iat= 3228, 3218, 3219, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 168 C5, 168 N7, 168 110.6 +/- 5 &rst iat= 3228, 3218, 3217, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 168 C5, 168 N7, 168 130.1 +/- 5 &rst iat= 3219, 3218, 3217, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 168 C6, 168 C5, 168 111.4 +/- 5 &rst iat= 3221, 3219, 3218, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 168 C6, 168 O6, 168 119.8 +/- 5 &rst iat= 3221, 3219, 3220, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 168 C6, 168 O6, 168 128.8 +/- 5 &rst iat= 3218, 3219, 3220, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 168 N7, 168 C8, 168 103.8 +/- 5 &rst iat= 3218, 3217, 3215, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 168 C8, 168 N9, 168 114.0 +/- 5 &rst iat= 3217, 3215, 3214, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 168 C8, 168 H8, 168 123.0 +/- 5 &rst iat= 3217, 3215, 3216, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 168 C8, 168 H8, 168 123.0 +/- 5 &rst iat= 3214, 3215, 3216, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 168 N9, 168 C4, 168 125.6 +/- 5 &rst iat= 3212, 3214, 3228, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 168 N9, 168 C8, 168 129.2 +/- 5 &rst iat= 3212, 3214, 3215, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 168 N9, 168 C8, 168 105.2 +/- &rst iat= 3228, 3214, 3215, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DG C2', 169 C1', 169 N9, 169 113.7 +/- 5 &rst iat= 3264, 3245, 3247, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 169 C1', 169 N9, 169 108.1 +/- 5 &rst iat= 3244, 3245, 3247, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 169 C1', 169 N9, 169 109.5 +/- 5 &rst iat= 3246, 3245, 3247, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 169 N1, 169 C6, 169 125.2 +/- 5 &rst iat= 3256, 3254, 3252, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 169 N1, 169 H1, 169 117.4 +/- 5 &rst iat= 3256, 3254, 3255, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 169 N1, 169 H1, 169 117.4 +/- 5 &rst iat= 3252, 3254, 3255, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 169 C2, 169 N2, 169 116.1 +/- 5 &rst iat= 3254, 3256, 3257, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 169 C2, 169 N3, 169 123.3 +/- 5 &rst iat= 3254, 3256, 3260, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 169 C2, 169 N3, 169 120.6 +/- 5 &rst iat= 3257, 3256, 3260, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 169 N2, 169 H21, 169 120.0 +/- 5 &rst iat= 3256, 3257, 3258, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 169 N2, 169 H22, 169 120.0 +/- 5 &rst iat= 3256, 3257, 3259, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 169 N2, 169 H22, 169 120.0 +/- 5 &rst iat= 3258, 3257, 3259, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 169 N3, 169 C4, 169 112.2 +/- 5 &rst iat= 3256, 3260, 3261, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 169 C4, 169 C5, 169 128.5 +/- 5 &rst iat= 3260, 3261, 3251, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 169 C4, 169 N9, 169 125.1 +/- 5 &rst iat= 3260, 3261, 3247, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 169 C4, 169 N9, 169 106.4 +/- 5 &rst iat= 3251, 3261, 3247, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 169 C5, 169 C6, 169 119.3 +/- 5 &rst iat= 3261, 3251, 3252, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 169 C5, 169 N7, 169 110.6 +/- 5 &rst iat= 3261, 3251, 3250, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 169 C5, 169 N7, 169 130.1 +/- 5 &rst iat= 3252, 3251, 3250, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 169 C6, 169 C5, 169 111.4 +/- 5 &rst iat= 3254, 3252, 3251, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 169 C6, 169 O6, 169 119.8 +/- 5 &rst iat= 3254, 3252, 3253, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 169 C6, 169 O6, 169 128.8 +/- 5 &rst iat= 3251, 3252, 3253, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 169 N7, 169 C8, 169 103.8 +/- 5 &rst iat= 3251, 3250, 3248, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 169 C8, 169 N9, 169 114.0 +/- 5 &rst iat= 3250, 3248, 3247, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 169 C8, 169 H8, 169 123.0 +/- 5 &rst iat= 3250, 3248, 3249, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 169 C8, 169 H8, 169 123.0 +/- 5 &rst iat= 3247, 3248, 3249, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 169 N9, 169 C4, 169 125.6 +/- 5 &rst iat= 3245, 3247, 3261, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 169 N9, 169 C8, 169 129.2 +/- 5 &rst iat= 3245, 3247, 3248, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 169 N9, 169 C8, 169 105.2 +/- &rst iat= 3261, 3247, 3248, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DA C2', 170 C1', 170 N9, 170 113.7 +/- 5 &rst iat= 3296, 3278, 3280, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 170 C1', 170 N9, 170 108.1 +/- 5 &rst iat= 3277, 3278, 3280, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 170 C1', 170 N9, 170 109.5 +/- 5 &rst iat= 3279, 3278, 3280, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 170 N1, 170 C6, 170 118.8 +/- 5 &rst iat= 3290, 3289, 3285, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 170 C2, 170 N3, 170 129.2 +/- 5 &rst iat= 3289, 3290, 3292, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 170 C2, 170 H2, 170 115.4 +/- 5 &rst iat= 3289, 3290, 3291, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 170 C2, 170 H2, 170 115.4 +/- 5 &rst iat= 3292, 3290, 3291, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 170 N3, 170 C4, 170 110.8 +/- 5 &rst iat= 3290, 3292, 3293, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 170 C4, 170 C5, 170 126.7 +/- 5 &rst iat= 3292, 3293, 3284, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 170 C4, 170 N9, 170 127.2 +/- 5 &rst iat= 3292, 3293, 3280, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 170 C4, 170 N9, 170 106.1 +/- 5 &rst iat= 3284, 3293, 3280, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 170 C5, 170 C6, 170 117.1 +/- 5 &rst iat= 3293, 3284, 3285, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 170 C5, 170 N7, 170 110.5 +/- 5 &rst iat= 3293, 3284, 3283, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 170 C5, 170 N7, 170 132.4 +/- 5 &rst iat= 3285, 3284, 3283, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 170 C6, 170 C5, 170 117.4 +/- 5 &rst iat= 3289, 3285, 3284, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 170 C6, 170 N6, 170 119.1 +/- 5 &rst iat= 3289, 3285, 3286, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 170 C6, 170 N6, 170 123.5 +/- 5 &rst iat= 3284, 3285, 3286, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 170 N6, 170 H61, 170 120.0 +/- 5 &rst iat= 3285, 3286, 3287, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 170 N6, 170 H62, 170 120.0 +/- 5 &rst iat= 3285, 3286, 3288, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 170 N6, 170 H62, 170 120.0 +/- 5 &rst iat= 3287, 3286, 3288, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 170 N7, 170 C8, 170 104.0 +/- 5 &rst iat= 3284, 3283, 3281, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 170 C8, 170 N9, 170 113.8 +/- 5 &rst iat= 3283, 3281, 3280, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 170 C8, 170 H8, 170 123.1 +/- 5 &rst iat= 3283, 3281, 3282, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 170 C8, 170 H8, 170 123.1 +/- 5 &rst iat= 3280, 3281, 3282, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 170 N9, 170 C4, 170 126.0 +/- 5 &rst iat= 3278, 3280, 3293, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 170 N9, 170 C8, 170 128.4 +/- 5 &rst iat= 3278, 3280, 3281, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 170 N9, 170 C8, 170 105.6 +/- 5 &rst iat= 3293, 3280, 3281, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DA C2', 171 C1', 171 N9, 171 113.7 +/- 5 &rst iat= 3328, 3310, 3312, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 171 C1', 171 N9, 171 108.1 +/- 5 &rst iat= 3309, 3310, 3312, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 171 C1', 171 N9, 171 109.5 +/- 5 &rst iat= 3311, 3310, 3312, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 171 N1, 171 C6, 171 118.8 +/- 5 &rst iat= 3322, 3321, 3317, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 171 C2, 171 N3, 171 129.2 +/- 5 &rst iat= 3321, 3322, 3324, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 171 C2, 171 H2, 171 115.4 +/- 5 &rst iat= 3321, 3322, 3323, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 171 C2, 171 H2, 171 115.4 +/- 5 &rst iat= 3324, 3322, 3323, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 171 N3, 171 C4, 171 110.8 +/- 5 &rst iat= 3322, 3324, 3325, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 171 C4, 171 C5, 171 126.7 +/- 5 &rst iat= 3324, 3325, 3316, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 171 C4, 171 N9, 171 127.2 +/- 5 &rst iat= 3324, 3325, 3312, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 171 C4, 171 N9, 171 106.1 +/- 5 &rst iat= 3316, 3325, 3312, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 171 C5, 171 C6, 171 117.1 +/- 5 &rst iat= 3325, 3316, 3317, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 171 C5, 171 N7, 171 110.5 +/- 5 &rst iat= 3325, 3316, 3315, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 171 C5, 171 N7, 171 132.4 +/- 5 &rst iat= 3317, 3316, 3315, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 171 C6, 171 C5, 171 117.4 +/- 5 &rst iat= 3321, 3317, 3316, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 171 C6, 171 N6, 171 119.1 +/- 5 &rst iat= 3321, 3317, 3318, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 171 C6, 171 N6, 171 123.5 +/- 5 &rst iat= 3316, 3317, 3318, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 171 N6, 171 H61, 171 120.0 +/- 5 &rst iat= 3317, 3318, 3319, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 171 N6, 171 H62, 171 120.0 +/- 5 &rst iat= 3317, 3318, 3320, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 171 N6, 171 H62, 171 120.0 +/- 5 &rst iat= 3319, 3318, 3320, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 171 N7, 171 C8, 171 104.0 +/- 5 &rst iat= 3316, 3315, 3313, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 171 C8, 171 N9, 171 113.8 +/- 5 &rst iat= 3315, 3313, 3312, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 171 C8, 171 H8, 171 123.1 +/- 5 &rst iat= 3315, 3313, 3314, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 171 C8, 171 H8, 171 123.1 +/- 5 &rst iat= 3312, 3313, 3314, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 171 N9, 171 C4, 171 126.0 +/- 5 &rst iat= 3310, 3312, 3325, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 171 N9, 171 C8, 171 128.4 +/- 5 &rst iat= 3310, 3312, 3313, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 171 N9, 171 C8, 171 105.6 +/- 5 &rst iat= 3325, 3312, 3313, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DG C2', 172 C1', 172 N9, 172 113.7 +/- 5 &rst iat= 3361, 3342, 3344, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DG O4', 172 C1', 172 N9, 172 108.1 +/- 5 &rst iat= 3341, 3342, 3344, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DG H1', 172 C1', 172 N9, 172 109.5 +/- 5 &rst iat= 3343, 3342, 3344, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DG C2, 172 N1, 172 C6, 172 125.2 +/- 5 &rst iat= 3353, 3351, 3349, r1= 120.2, r2= 125.2, r3= 125.2, r4= 130.2, &end # angle DG C2, 172 N1, 172 H1, 172 117.4 +/- 5 &rst iat= 3353, 3351, 3352, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG C6, 172 N1, 172 H1, 172 117.4 +/- 5 &rst iat= 3349, 3351, 3352, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DG N1, 172 C2, 172 N2, 172 116.1 +/- 5 &rst iat= 3351, 3353, 3354, r1= 111.1, r2= 116.1, r3= 116.1, r4= 121.1, &end # angle DG N1, 172 C2, 172 N3, 172 123.3 +/- 5 &rst iat= 3351, 3353, 3357, r1= 118.3, r2= 123.3, r3= 123.3, r4= 128.3, &end # angle DG N2, 172 C2, 172 N3, 172 120.6 +/- 5 &rst iat= 3354, 3353, 3357, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DG C2, 172 N2, 172 H21, 172 120.0 +/- 5 &rst iat= 3353, 3354, 3355, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 172 N2, 172 H22, 172 120.0 +/- 5 &rst iat= 3353, 3354, 3356, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG H21, 172 N2, 172 H22, 172 120.0 +/- 5 &rst iat= 3355, 3354, 3356, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DG C2, 172 N3, 172 C4, 172 112.2 +/- 5 &rst iat= 3353, 3357, 3358, r1= 107.2, r2= 112.2, r3= 112.2, r4= 117.2, &end # angle DG N3, 172 C4, 172 C5, 172 128.5 +/- 5 &rst iat= 3357, 3358, 3348, r1= 123.5, r2= 128.5, r3= 128.5, r4= 133.5, &end # angle DG N3, 172 C4, 172 N9, 172 125.1 +/- 5 &rst iat= 3357, 3358, 3344, r1= 120.1, r2= 125.1, r3= 125.1, r4= 130.1, &end # angle DG C5, 172 C4, 172 N9, 172 106.4 +/- 5 &rst iat= 3348, 3358, 3344, r1= 101.4, r2= 106.4, r3= 106.4, r4= 111.4, &end # angle DG C4, 172 C5, 172 C6, 172 119.3 +/- 5 &rst iat= 3358, 3348, 3349, r1= 114.3, r2= 119.3, r3= 119.3, r4= 124.3, &end # angle DG C4, 172 C5, 172 N7, 172 110.6 +/- 5 &rst iat= 3358, 3348, 3347, r1= 105.6, r2= 110.6, r3= 110.6, r4= 115.6, &end # angle DG C6, 172 C5, 172 N7, 172 130.1 +/- 5 &rst iat= 3349, 3348, 3347, r1= 125.1, r2= 130.1, r3= 130.1, r4= 135.1, &end # angle DG N1, 172 C6, 172 C5, 172 111.4 +/- 5 &rst iat= 3351, 3349, 3348, r1= 106.4, r2= 111.4, r3= 111.4, r4= 116.4, &end # angle DG N1, 172 C6, 172 O6, 172 119.8 +/- 5 &rst iat= 3351, 3349, 3350, r1= 114.8, r2= 119.8, r3= 119.8, r4= 124.8, &end # angle DG C5, 172 C6, 172 O6, 172 128.8 +/- 5 &rst iat= 3348, 3349, 3350, r1= 123.8, r2= 128.8, r3= 128.8, r4= 133.8, &end # angle DG C5, 172 N7, 172 C8, 172 103.8 +/- 5 &rst iat= 3348, 3347, 3345, r1= 98.8, r2= 103.8, r3= 103.8, r4= 108.8, &end # angle DG N7, 172 C8, 172 N9, 172 114.0 +/- 5 &rst iat= 3347, 3345, 3344, r1= 109, r2= 114.0, r3= 114.0, r4= 119, &end # angle DG N7, 172 C8, 172 H8, 172 123.0 +/- 5 &rst iat= 3347, 3345, 3346, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG N9, 172 C8, 172 H8, 172 123.0 +/- 5 &rst iat= 3344, 3345, 3346, r1= 118, r2= 123.0, r3= 123.0, r4= 128, &end # angle DG C1', 172 N9, 172 C4, 172 125.6 +/- 5 &rst iat= 3342, 3344, 3358, r1= 120.6, r2= 125.6, r3= 125.6, r4= 130.6, &end # angle DG C1', 172 N9, 172 C8, 172 129.2 +/- 5 &rst iat= 3342, 3344, 3345, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DG C4, 172 N9, 172 C8, 172 105.2 +/- &rst iat= 3358, 3344, 3345, r1= 105.2, r2= 105.2, r3= 105.2, r4= 105.2, &end # angle DC C2', 173 C1', 173 N1, 173 113.7 +/- 5 &rst iat= 3391, 3375, 3377, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC O4', 173 C1', 173 N1, 173 108.1 +/- 5 &rst iat= 3374, 3375, 3377, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC H1', 173 C1', 173 N1, 173 109.5 +/- 5 &rst iat= 3376, 3375, 3377, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC C1', 173 N1, 173 C2, 173 117.8 +/- 5 &rst iat= 3375, 3377, 3387, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC C1', 173 N1, 173 C6, 173 121.0 +/- 5 &rst iat= 3375, 3377, 3378, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC C2, 173 N1, 173 C6, 173 121.2 +/- 5 &rst iat= 3387, 3377, 3378, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC N1, 173 C2, 173 O2, 173 118.8 +/- 5 &rst iat= 3377, 3387, 3388, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC N1, 173 C2, 173 N3, 173 118.7 +/- 5 &rst iat= 3377, 3387, 3386, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC O2, 173 C2, 173 N3, 173 122.5 +/- 5 &rst iat= 3388, 3387, 3386, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC C2, 173 N3, 173 C4, 173 120.6 +/- 5 &rst iat= 3387, 3386, 3382, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC N3, 173 C4, 173 N4, 173 118.3 +/- 5 &rst iat= 3386, 3382, 3383, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC N3, 173 C4, 173 C5, 173 121.6 +/- 5 &rst iat= 3386, 3382, 3380, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N4, 173 C4, 173 C5, 173 120.1 +/- 5 &rst iat= 3383, 3382, 3380, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC C4, 173 N4, 173 H41, 173 120.0 +/- 5 &rst iat= 3382, 3383, 3384, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 173 N4, 173 H42, 173 120.0 +/- 5 &rst iat= 3382, 3383, 3385, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC H41, 173 N4, 173 H42, 173 120.0 +/- 5 &rst iat= 3384, 3383, 3385, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC C4, 173 C5, 173 C6, 173 116.9 +/- 5 &rst iat= 3382, 3380, 3378, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC C4, 173 C5, 173 H5, 173 121.6 +/- 5 &rst iat= 3382, 3380, 3381, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC C6, 173 C5, 173 H5, 173 121.6 +/- 5 &rst iat= 3378, 3380, 3381, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC N1, 173 C6, 173 C5, 173 121.1 +/- 5 &rst iat= 3377, 3378, 3380, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC N1, 173 C6, 173 H6, 173 119.5 +/- 5 &rst iat= 3377, 3378, 3379, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC C5, 173 C6, 173 H6, 173 119.4 +/- 5 &rst iat= 3380, 3378, 3379, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # angle DA C2', 174 C1', 174 N9, 174 113.7 +/- 5 &rst iat= 3423, 3405, 3407, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DA O4', 174 C1', 174 N9, 174 108.1 +/- 5 &rst iat= 3404, 3405, 3407, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DA H1', 174 C1', 174 N9, 174 109.5 +/- 5 &rst iat= 3406, 3405, 3407, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DA C2, 174 N1, 174 C6, 174 118.8 +/- 5 &rst iat= 3417, 3416, 3412, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DA N1, 174 C2, 174 N3, 174 129.2 +/- 5 &rst iat= 3416, 3417, 3419, r1= 124.2, r2= 129.2, r3= 129.2, r4= 134.2, &end # angle DA N1, 174 C2, 174 H2, 174 115.4 +/- 5 &rst iat= 3416, 3417, 3418, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA N3, 174 C2, 174 H2, 174 115.4 +/- 5 &rst iat= 3419, 3417, 3418, r1= 110.4, r2= 115.4, r3= 115.4, r4= 120.4, &end # angle DA C2, 174 N3, 174 C4, 174 110.8 +/- 5 &rst iat= 3417, 3419, 3420, r1= 105.8, r2= 110.8, r3= 110.8, r4= 115.8, &end # angle DA N3, 174 C4, 174 C5, 174 126.7 +/- 5 &rst iat= 3419, 3420, 3411, r1= 121.7, r2= 126.7, r3= 126.7, r4= 131.7, &end # angle DA N3, 174 C4, 174 N9, 174 127.2 +/- 5 &rst iat= 3419, 3420, 3407, r1= 122.2, r2= 127.2, r3= 127.2, r4= 132.2, &end # angle DA C5, 174 C4, 174 N9, 174 106.1 +/- 5 &rst iat= 3411, 3420, 3407, r1= 101.1, r2= 106.1, r3= 106.1, r4= 111.1, &end # angle DA C4, 174 C5, 174 C6, 174 117.1 +/- 5 &rst iat= 3420, 3411, 3412, r1= 112.1, r2= 117.1, r3= 117.1, r4= 122.1, &end # angle DA C4, 174 C5, 174 N7, 174 110.5 +/- 5 &rst iat= 3420, 3411, 3410, r1= 105.5, r2= 110.5, r3= 110.5, r4= 115.5, &end # angle DA C6, 174 C5, 174 N7, 174 132.4 +/- 5 &rst iat= 3412, 3411, 3410, r1= 127.4, r2= 132.4, r3= 132.4, r4= 137.4, &end # angle DA N1, 174 C6, 174 C5, 174 117.4 +/- 5 &rst iat= 3416, 3412, 3411, r1= 112.4, r2= 117.4, r3= 117.4, r4= 122.4, &end # angle DA N1, 174 C6, 174 N6, 174 119.1 +/- 5 &rst iat= 3416, 3412, 3413, r1= 114.1, r2= 119.1, r3= 119.1, r4= 124.1, &end # angle DA C5, 174 C6, 174 N6, 174 123.5 +/- 5 &rst iat= 3411, 3412, 3413, r1= 118.5, r2= 123.5, r3= 123.5, r4= 128.5, &end # angle DA C6, 174 N6, 174 H61, 174 120.0 +/- 5 &rst iat= 3412, 3413, 3414, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C6, 174 N6, 174 H62, 174 120.0 +/- 5 &rst iat= 3412, 3413, 3415, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA H61, 174 N6, 174 H62, 174 120.0 +/- 5 &rst iat= 3414, 3413, 3415, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DA C5, 174 N7, 174 C8, 174 104.0 +/- 5 &rst iat= 3411, 3410, 3408, r1= 99, r2= 104.0, r3= 104.0, r4= 109, &end # angle DA N7, 174 C8, 174 N9, 174 113.8 +/- 5 &rst iat= 3410, 3408, 3407, r1= 108.8, r2= 113.8, r3= 113.8, r4= 118.8, &end # angle DA N7, 174 C8, 174 H8, 174 123.1 +/- 5 &rst iat= 3410, 3408, 3409, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA N9, 174 C8, 174 H8, 174 123.1 +/- 5 &rst iat= 3407, 3408, 3409, r1= 118.1, r2= 123.1, r3= 123.1, r4= 128.1, &end # angle DA C1', 174 N9, 174 C4, 174 126.0 +/- 5 &rst iat= 3405, 3407, 3420, r1= 121, r2= 126.0, r3= 126.0, r4= 131, &end # angle DA C1', 174 N9, 174 C8, 174 128.4 +/- 5 &rst iat= 3405, 3407, 3408, r1= 123.4, r2= 128.4, r3= 128.4, r4= 133.4, &end # angle DA C4, 174 N9, 174 C8, 174 105.6 +/- 5 &rst iat= 3420, 3407, 3408, r1= 100.6, r2= 105.6, r3= 105.6, r4= 110.6, &end # angle DC3 C2', 175 C1', 175 N1, 175 113.7 +/- 5 &rst iat= 3453, 3437, 3439, r1= 108.7, r2= 113.7, r3= 113.7, r4= 118.7, &end # angle DC3 O4', 175 C1', 175 N1, 175 108.1 +/- 5 &rst iat= 3436, 3437, 3439, r1= 103.1, r2= 108.1, r3= 108.1, r4= 113.1, &end # angle DC3 H1', 175 C1', 175 N1, 175 109.5 +/- 5 &rst iat= 3438, 3437, 3439, r1= 104.5, r2= 109.5, r3= 109.5, r4= 114.5, &end # angle DC3 C1', 175 N1, 175 C2, 175 117.8 +/- 5 &rst iat= 3437, 3439, 3449, r1= 112.8, r2= 117.8, r3= 117.8, r4= 122.8, &end # angle DC3 C1', 175 N1, 175 C6, 175 121.0 +/- 5 &rst iat= 3437, 3439, 3440, r1= 116, r2= 121.0, r3= 121.0, r4= 126, &end # angle DC3 C2, 175 N1, 175 C6, 175 121.2 +/- 5 &rst iat= 3449, 3439, 3440, r1= 116.2, r2= 121.2, r3= 121.2, r4= 126.2, &end # angle DC3 N1, 175 C2, 175 O2, 175 118.8 +/- 5 &rst iat= 3439, 3449, 3450, r1= 113.8, r2= 118.8, r3= 118.8, r4= 123.8, &end # angle DC3 N1, 175 C2, 175 N3, 175 118.7 +/- 5 &rst iat= 3439, 3449, 3448, r1= 113.7, r2= 118.7, r3= 118.7, r4= 123.7, &end # angle DC3 O2, 175 C2, 175 N3, 175 122.5 +/- 5 &rst iat= 3450, 3449, 3448, r1= 117.5, r2= 122.5, r3= 122.5, r4= 127.5, &end # angle DC3 C2, 175 N3, 175 C4, 175 120.6 +/- 5 &rst iat= 3449, 3448, 3444, r1= 115.6, r2= 120.6, r3= 120.6, r4= 125.6, &end # angle DC3 N3, 175 C4, 175 N4, 175 118.3 +/- 5 &rst iat= 3448, 3444, 3445, r1= 113.3, r2= 118.3, r3= 118.3, r4= 123.3, &end # angle DC3 N3, 175 C4, 175 C5, 175 121.6 +/- 5 &rst iat= 3448, 3444, 3442, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC3 N4, 175 C4, 175 C5, 175 120.1 +/- 5 &rst iat= 3445, 3444, 3442, r1= 115.1, r2= 120.1, r3= 120.1, r4= 125.1, &end # angle DC3 C4, 175 N4, 175 H41, 175 120.0 +/- 5 &rst iat= 3444, 3445, 3446, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC3 C4, 175 N4, 175 H42, 175 120.0 +/- 5 &rst iat= 3444, 3445, 3447, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC3 H41, 175 N4, 175 H42, 175 120.0 +/- 5 &rst iat= 3446, 3445, 3447, r1= 115, r2= 120.0, r3= 120.0, r4= 125, &end # angle DC3 C4, 175 C5, 175 C6, 175 116.9 +/- 5 &rst iat= 3444, 3442, 3440, r1= 111.9, r2= 116.9, r3= 116.9, r4= 121.9, &end # angle DC3 C4, 175 C5, 175 H5, 175 121.6 +/- 5 &rst iat= 3444, 3442, 3443, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC3 C6, 175 C5, 175 H5, 175 121.6 +/- 5 &rst iat= 3440, 3442, 3443, r1= 116.6, r2= 121.6, r3= 121.6, r4= 126.6, &end # angle DC3 N1, 175 C6, 175 C5, 175 121.1 +/- 5 &rst iat= 3439, 3440, 3442, r1= 116.1, r2= 121.1, r3= 121.1, r4= 126.1, &end # angle DC3 N1, 175 C6, 175 H6, 175 119.5 +/- 5 &rst iat= 3439, 3440, 3441, r1= 114.5, r2= 119.5, r3= 119.5, r4= 124.5, &end # angle DC3 C5, 175 C6, 175 H6, 175 119.4 +/- 5 &rst iat= 3442, 3440, 3441, r1= 114.4, r2= 119.4, r3= 119.4, r4= 124.4, &end # 3457 atoms read from pdb file kso604_kbs_001.pdb.
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