NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4762 8.3193 115.2898 57.7421 63.4145 173.5944 2 P 4.2352 0.0000 0.0000 63.3014 32.1443 174.2623 3 Y 4.4033 8.3431 119.2653 56.8131 39.6069 177.6055 4 S 4.1291 8.9219 120.0906 61.2422 62.6177 174.7441 5 S 4.5624 8.1014 111.8073 58.3434 63.1284 173.3248 6 D 4.8478 7.6796 121.2721 52.9229 42.3458 176.3529 7 T 4.2102 8.0745 110.9185 62.0918 69.5657 173.6877 8 T 4.6757 7.9363 115.7566 59.5378 70.5223 171.6113 9 P 4.5189 0.0000 0.0000 62.8888 32.1284 176.2261 10 C 5.0262 8.5598 118.0695 55.1847 43.9774 173.7128 11 C 4.8950 8.0313 117.9256 55.3551 42.1454 174.2041 12 F 4.5357 8.3835 119.7401 56.9010 40.2428 174.7859 13 A 4.4079 7.4018 121.7130 51.1449 21.7817 175.1734 14 Y 5.0274 8.0468 118.5445 55.9393 40.1163 175.7484 15 I 3.9421 8.5854 124.4657 60.9101 38.6988 175.7445 16 A 4.1906 9.0085 133.9685 55.7224 18.6475 178.0382 17 R 4.1929 7.5505 113.0643 53.5673 30.8121 176.5861 18 P 2.9700 0.0000 0.0000 61.3065 31.4870 176.0480 19 L 4.1348 7.8423 123.7465 53.4592 43.1435 174.4737 20 P 4.2346 0.0000 0.0000 62.9699 31.9609 177.2865 21 R 3.4635 8.8754 123.2403 59.2667 30.0275 178.1599 22 A 3.9931 7.8676 118.8089 54.5602 18.6766 177.0716 23 H 4.6570 8.3074 114.8672 55.8537 30.1284 173.9358 24 I 4.9761 7.6141 119.5067 59.9981 38.8635 175.3187 25 K 4.6554 8.6694 122.5607 56.6547 34.2944 175.0252 26 E 4.9707 8.1331 120.6211 56.1949 33.1245 172.7467 27 Y 5.8273 9.0611 120.1171 56.7799 41.3298 173.6672 28 F 4.6446 7.9425 113.4670 56.3839 41.1605 172.1113 29 Y 5.0928 8.5343 117.5020 56.5830 39.5064 176.0097 30 T 4.4044 8.3099 112.9750 61.1889 70.1310 174.3340 31 S 4.2065 8.9455 117.0559 58.7288 62.7528 175.6005 32 G 3.8166 8.5723 114.2102 47.5334 0.0000 174.8902 33 K 4.1440 8.0333 119.2571 59.0009 32.3610 177.2754 34 C 4.5781 7.7752 116.1133 56.4493 40.6831 174.0463 35 S 4.1498 8.6931 117.3780 60.6218 62.9699 174.3196 36 N 4.9206 7.7234 117.5625 50.7038 40.5234 173.9429 37 P 4.5016 0.0000 0.0000 61.6209 30.5495 174.7594 38 A 4.8160 7.7549 124.9136 51.6656 22.1740 177.5403 39 V 4.3946 8.1250 111.9300 59.5334 34.9839 175.4510 40 V 4.4328 7.9064 122.8827 61.0206 34.1488 174.1582 41 F 5.2580 9.1507 127.3989 56.2864 40.8342 175.0116 42 V 4.6370 9.0872 125.3700 62.3103 32.8372 176.0360 43 T 4.9739 8.6702 118.9979 60.4814 70.6370 175.7387 44 R 3.7913 8.4833 121.7923 58.8298 29.9791 176.7775 45 E 4.4975 8.0431 113.3489 55.7707 29.7479 175.2772 46 N 4.3423 8.1993 114.2354 54.9269 36.6964 174.8104 47 R 4.2512 8.1908 116.9379 56.4070 31.7376 176.1841 48 Q 4.8814 8.6944 120.9089 54.4980 30.1039 174.6537 49 V 4.2706 8.6918 125.3989 61.5649 33.3025 174.3495 50 C 5.0774 8.8618 125.3881 56.8980 41.0796 172.4764 51 A 5.0498 8.8137 123.3068 50.4815 23.2442 174.7010 52 N 3.8939 8.0628 118.2930 51.3950 39.1880 174.0904 53 P 3.9901 0.0000 0.0000 65.9898 31.6118 178.4043 54 E 4.0515 8.4526 113.5767 57.6819 30.0758 182.5739 55 K 4.1704 7.7374 117.9246 55.9816 33.8072 177.6098 56 K 3.8000 8.6902 124.8140 59.6177 32.1470 179.0551 57 W 4.2451 8.1241 116.2870 59.4502 27.9966 178.4028 58 V 2.7926 6.4293 118.6001 65.3385 30.9418 177.7417 59 R 3.7833 7.8822 118.6661 59.5979 29.8191 178.4129 60 E 4.0686 8.3866 118.3247 59.4371 29.2148 178.9038 61 Y 4.0552 8.1237 116.0792 61.1357 38.2484 178.3402 62 I 3.4885 7.9850 120.6709 64.4936 37.1816 178.2604 63 N 4.4232 8.1861 117.4645 56.2171 38.1939 177.1812 64 S 4.3937 8.2880 113.7631 59.8909 63.1620 175.1784 65 L 4.6958 7.5360 124.2876 54.3998 41.9718 176.8314 66 E 4.3144 7.6311 118.2168 56.3008 30.4557 181.9483 67 M 4.3699 8.4532 115.1541 55.7207 31.5035 177.2282 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 S 8.32 4.48 0.00 3.91 3.90 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 2 P 0.00 4.24 0.00 1.85 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.10 0.00 3 Y 8.34 4.40 0.00 3.31 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 4 S 8.92 4.13 0.00 3.84 3.94 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 S 8.10 4.56 0.00 4.04 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 6 D 7.68 4.85 0.00 2.96 2.66 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 T 8.07 4.21 4.27 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 1.23 0.00 0.00 8 T 7.94 4.68 4.27 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 1.25 0.00 0.00 9 P 0.00 4.52 0.00 2.38 2.15 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 10 C 8.56 5.03 0.00 2.84 2.46 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 11 C 8.03 4.89 0.00 2.71 2.74 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 12 F 8.38 4.54 0.00 2.99 2.98 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 13 A 7.40 4.41 1.20 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 14 Y 8.05 5.03 0.00 3.02 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 15 I 8.59 3.94 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 1.33 0.00 0.00 16 A 9.01 4.19 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 17 R 7.55 4.19 0.00 1.84 1.72 0.00 3.28 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 18 P 0.00 2.97 0.00 1.41 0.49 0.00 3.17 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 19 L 7.84 4.13 0.00 1.63 1.65 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.23 0.00 2.20 1.97 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 21 R 8.88 3.46 0.00 1.14 1.69 0.00 2.69 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 22 A 7.87 3.99 1.27 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 23 H 8.31 4.66 0.00 3.22 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.61 4.98 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 1.06 0.00 0.00 25 K 8.67 4.66 0.00 1.73 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.39 7.81 26 E 8.13 4.97 0.00 2.13 1.88 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 2.31 2.42 0.00 27 Y 9.06 5.83 0.00 2.74 2.97 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 28 F 7.94 4.64 0.00 3.02 2.99 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 0.00 0.00 0.00 29 Y 8.53 5.09 0.00 2.98 2.92 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 T 8.31 4.40 4.38 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 1.27 0.00 0.00 31 S 8.95 4.21 0.00 3.91 3.83 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 G 8.57 3.82 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 33 K 8.03 4.14 0.00 1.79 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.42 7.81 34 C 7.78 4.58 0.00 3.01 2.89 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 35 S 8.69 4.15 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 36 N 7.72 4.92 0.00 2.66 2.76 0.00 0.00 6.92 8.02 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 37 P 0.00 4.50 0.00 2.15 2.08 0.00 3.85 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 2.01 1.97 0.00 38 A 7.75 4.82 1.55 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 V 8.13 4.39 1.34 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 0.63 0.00 0.00 0.18 0.00 0.00 40 V 7.91 4.43 0.67 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 0.73 0.00 0.00 0.53 0.00 0.00 41 F 9.15 5.26 0.00 3.07 2.97 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 V 9.09 4.64 2.22 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 1.13 0.00 0.00 1.16 0.00 0.00 43 T 8.67 4.97 4.45 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 1.33 0.00 0.00 44 R 8.48 3.79 0.00 1.54 1.61 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 45 E 8.04 4.50 0.00 2.13 2.03 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 2.25 2.30 0.00 46 N 8.20 4.34 0.00 2.94 3.02 0.00 0.00 6.90 7.36 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 R 8.19 4.25 0.00 1.84 1.92 0.00 3.13 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 48 Q 8.69 4.88 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 49 V 8.69 4.27 2.31 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 1.13 0.00 0.00 1.05 0.00 0.00 50 C 8.86 5.08 0.00 3.09 3.04 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 51 A 8.81 5.05 1.05 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 0.00 0.00 0.00 0.00 0.00 52 N 8.06 3.89 0.00 1.44 2.20 0.00 0.00 6.91 7.71 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 53 P 0.00 3.99 0.00 1.96 2.10 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 54 E 8.45 4.05 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 55 K 7.74 4.17 0.00 1.35 1.54 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.52 7.81 56 K 8.69 3.80 0.00 1.82 1.87 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 57 W 8.12 4.25 0.00 3.41 3.21 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 58 V 6.43 2.79 1.69 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 0.68 0.00 0.00 -0.91 0.00 0.00 59 R 7.88 3.78 0.00 1.80 2.02 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 60 E 8.39 4.07 0.00 2.33 2.09 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 2.60 2.57 0.00 61 Y 8.12 4.06 0.00 3.03 2.82 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 62 I 7.98 3.49 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.64 0.42 0.00 0.00 63 N 8.19 4.42 0.00 2.91 2.89 0.00 0.00 6.84 7.70 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 64 S 8.29 4.39 0.00 3.95 4.05 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 0.00 0.00 0.00 65 L 7.54 4.70 0.00 2.06 2.02 1.25 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.63 4.31 0.00 2.01 1.74 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 2.26 2.13 0.00 67 M 8.45 4.37 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00