NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4191 8.3044 120.3485 55.1926 33.2793 175.2106 2 V 3.4877 8.5329 126.4568 64.7758 31.8562 174.1763 3 I 4.4946 7.8389 120.9510 59.5558 40.5290 174.0682 4 A 4.6015 8.9972 129.2659 50.6757 20.8139 177.8863 5 T 3.9247 8.4291 115.8680 66.9402 68.1443 176.5644 6 D 4.6329 7.9076 120.3095 55.2385 39.6237 177.3505 7 D 4.5581 7.9481 119.1493 55.6542 41.3320 176.6685 8 L 4.7036 8.0187 119.6884 55.7614 44.1104 176.3710 9 E 5.2773 7.8622 114.6250 55.1405 33.1729 174.4020 10 T 4.8862 9.1018 110.7994 59.7694 72.7908 173.2067 11 T 4.2995 8.6035 119.0680 64.2623 69.1611 173.6866 12 C 4.3873 9.1357 126.9316 59.0076 32.6368 172.1175 13 P 5.2182 0.0000 0.0000 62.2401 31.5974 175.4863 14 N 4.7466 8.0108 117.2081 54.3286 40.2115 174.6353 15 C 4.7480 7.5884 109.1974 56.3851 31.5436 173.4217 16 N 5.2719 8.8207 116.6762 53.7623 35.8719 175.3755 17 G 4.1286 8.4988 106.2810 45.9201 0.0000 176.0963 18 S 4.1238 7.8858 113.9156 59.4567 63.4647 175.9955 19 G 3.9595 8.3242 107.3382 45.1956 0.0000 172.5460 20 R 4.8823 7.5247 118.8337 54.3524 32.4118 175.8668 21 E 4.5363 8.4031 124.8714 61.4463 30.1192 176.7643 22 E 3.4945 7.1306 114.7247 54.4087 28.6076 174.8676 23 P 4.7197 0.0000 0.0000 62.5950 31.8787 174.9996 24 E 4.7200 7.7213 118.2318 53.9901 32.2754 173.3445 25 P 4.6470 0.0000 0.0000 62.0952 32.1839 175.8914 26 C 4.0177 8.9036 121.8001 59.6428 31.6493 172.6143 27 P 4.5137 0.0000 0.0000 63.6183 31.3652 176.8545 28 K 4.2354 7.9729 119.4419 57.6040 32.8984 176.6582 29 C 4.7244 7.8611 111.1838 56.7087 29.9010 173.3271 30 L 3.6974 9.1314 119.1412 56.4860 40.0403 175.2264 31 G 3.9850 7.9072 102.8132 45.1763 0.0000 175.3900 32 K 4.0241 8.6163 120.4297 57.0053 32.4737 178.4984 33 G 4.0001 8.6372 105.7429 45.1120 0.0000 172.5955 34 V 5.1524 7.2916 111.1183 59.3668 35.8308 174.6918 35 I 4.7246 9.0425 115.6733 58.9749 41.0457 174.6768 36 L 4.7809 8.4514 123.1887 54.8789 42.8422 177.0280 37 T 4.3671 8.4021 113.0173 60.6351 71.0904 175.5928 38 A 3.9748 8.5778 122.2713 55.3513 18.2720 179.4931 39 Q 4.0099 8.0877 117.8137 59.2834 29.1873 178.4884 40 G 3.6357 8.1667 106.8757 47.7277 0.0000 175.7165 41 S 4.1341 8.1204 115.4629 61.4255 62.4769 176.3368 42 T 3.8980 7.9495 118.4970 66.6221 68.1537 176.7030 43 L 4.0568 7.9346 120.8135 57.7740 41.6408 179.2832 44 L 3.9791 8.1745 120.4547 58.4046 42.0327 178.4487 45 H 4.0937 8.5152 118.2942 59.1161 29.8806 177.0154 46 F 4.2366 8.3106 122.2985 61.3715 39.2063 177.0014 47 I 3.4738 8.0395 119.4070 64.4569 36.9963 178.4394 48 K 3.8150 8.1922 119.3410 59.3246 31.6319 179.1815 49 K 3.5977 7.6647 118.6663 59.7379 32.2051 178.0105 50 H 4.4028 7.5533 113.7241 57.1387 28.9941 176.8825 51 I 4.0307 7.7821 120.9003 61.5636 37.7345 175.6240 52 H 4.6468 8.5227 118.9317 55.5493 28.0023 174.5547 53 E 4.1795 7.8688 122.1495 56.2030 29.4913 175.3281 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 2 V 8.53 3.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 3 I 7.84 4.49 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.91 0.00 0.00 4 A 9.00 4.60 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.43 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 D 7.91 4.63 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.95 4.56 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.02 4.70 0.00 1.73 1.69 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.86 5.28 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 10 T 9.10 4.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 T 8.60 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 C 9.14 4.39 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.22 0.00 2.21 2.13 0.00 3.40 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 14 N 8.01 4.75 0.00 2.67 2.86 0.00 0.00 6.84 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.59 4.75 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.82 5.27 0.00 2.95 2.88 0.00 0.00 7.76 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.50 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.89 4.12 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.32 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.52 4.88 0.00 1.73 1.93 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 21 E 8.40 4.54 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 22 E 7.13 3.49 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 23 P 0.00 4.72 0.00 2.17 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 24 E 7.72 4.72 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 25 P 0.00 4.65 0.00 2.18 2.04 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 26 C 8.90 4.02 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.51 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 28 K 7.97 4.24 0.00 1.71 1.82 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 29 C 7.86 4.72 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.13 3.70 0.00 1.71 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.62 4.02 0.00 1.80 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 33 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.29 5.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 35 I 9.04 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.91 0.00 0.00 36 L 8.45 4.78 0.00 1.56 1.64 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.40 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 A 8.58 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.09 4.01 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.12 4.13 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.95 3.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 43 L 7.93 4.06 0.00 1.75 1.77 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.17 3.98 0.00 1.87 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.52 4.09 0.00 3.38 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.31 4.24 0.00 3.30 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.04 3.47 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.90 0.90 0.00 0.00 48 K 8.19 3.81 0.00 1.69 1.78 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 49 K 7.66 3.60 0.00 1.66 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.09 1.30 7.81 50 H 7.55 4.40 0.00 2.78 3.15 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.78 4.03 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.98 0.00 0.00 52 H 8.52 4.65 0.00 3.20 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.87 4.18 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00