NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 M 4.7642 8.2893 120.2805 55.5013 32.7479 172.6038 24 S 4.7622 8.0304 116.9854 54.7404 65.4592 172.0630 25 I 4.4976 8.4492 118.0083 60.1293 39.4125 175.7734 26 E 4.8794 9.0726 124.7267 54.5797 33.6180 174.0562 27 I 4.8553 8.2132 121.8314 59.6761 41.7006 175.1091 28 D 4.6665 8.9374 124.5543 52.4837 41.6578 176.0763 29 S 4.2313 8.6237 119.4392 60.6944 63.1677 175.0815 30 E 4.1286 8.4324 119.0021 59.4596 29.1582 178.0998 31 Q 4.2057 7.8784 113.7905 55.8493 29.6602 177.1445 32 G 3.8389 8.8105 106.2600 45.2593 0.0000 172.9104 33 V 4.6233 7.4374 119.3896 61.3680 32.8583 173.9559 34 C 5.0073 9.2044 118.9573 56.6743 32.4336 173.0842 35 S 4.7842 8.7438 115.6853 57.0836 64.9890 172.8202 36 V 4.8470 8.4690 126.6189 59.8306 33.9196 174.5876 37 E 4.6434 9.0278 124.4175 55.5001 30.6893 174.9844 38 I 4.3094 8.0247 118.0763 59.9058 40.5008 173.8558 39 E 3.9741 8.8429 121.8277 57.2906 27.9038 176.9495 40 G 3.7585 8.5703 119.5973 45.9262 0.0000 171.9783 41 S 3.9852 7.3661 110.2180 59.1582 63.7198 175.6439 42 R 4.4293 7.9035 122.8512 56.0257 30.6722 172.2215 43 H 4.9771 8.3687 113.9428 53.4991 32.3896 173.8849 44 R 4.9112 8.0113 122.8787 56.6897 32.7608 173.8642 45 A 4.3193 6.9894 122.7510 51.1486 22.9528 173.2877 46 P 4.6937 0.0000 0.0000 62.7758 32.0734 177.8282 47 V 3.6621 7.9749 121.0602 65.5478 31.6190 176.7626 48 D 4.6104 8.0509 116.7245 54.3212 39.6228 176.0703 49 S 4.7517 7.4589 115.1382 58.2188 63.0645 173.1216 50 L 4.9532 7.7236 117.3705 53.0394 45.0821 176.2238 51 R 4.9762 8.5991 118.1282 54.8143 34.8515 174.2024 52 I 4.9539 8.2347 121.3219 59.6678 40.5344 175.0081 53 G 4.6010 8.7255 111.3686 44.7754 0.0000 171.5191 54 T 5.0675 8.3425 114.9589 61.6427 72.3296 173.1389 55 D 5.0858 9.6146 127.0137 52.3894 41.7984 176.6785 56 A 4.1551 8.7161 129.3028 54.1100 18.8766 178.2736 57 E 4.0804 8.3535 114.9425 58.9650 29.5696 177.7638 58 A 4.5978 7.4970 116.4221 50.7079 20.6276 175.6827 59 R 3.8394 8.0872 115.1368 58.2627 28.2146 175.2783 60 L 5.0649 7.2438 115.9438 53.6712 44.8301 177.0631 61 S 4.8764 8.5670 114.0967 58.4894 64.5954 173.1287 62 V 4.5833 8.9904 113.7773 59.8119 36.5260 173.6246 63 L 4.9443 8.1864 122.2240 53.7840 44.4147 174.6842 64 Y 5.0546 8.9297 123.8982 55.4087 40.8795 174.5277 65 I 4.6571 7.7353 124.4826 59.8952 41.1755 175.1238 66 D 4.4278 9.8042 126.9130 54.6951 39.6763 173.5215 67 G 4.0579 8.5045 104.1072 46.2888 0.0000 173.7254 68 K 4.2842 7.5780 118.3685 54.7458 34.7347 174.8174 69 R 4.3975 7.8337 118.5353 54.3975 32.0903 173.7126 70 L 4.7819 8.2110 124.0841 54.6294 44.9381 174.0879 71 H 5.1395 8.7203 119.3948 54.7350 30.7619 173.9303 72 I 4.8219 7.9350 117.7391 58.0786 40.9474 175.2605 73 S 4.3099 8.2284 114.4055 57.8521 64.0848 174.4415 74 E 3.9291 8.6249 125.6691 59.5636 29.4188 179.0267 75 E 3.9479 8.0568 119.7826 59.0731 29.8485 178.2705 76 D 4.4104 8.4004 118.9481 56.9658 40.3783 178.5289 77 A 4.0368 8.2586 121.9373 54.7662 18.3032 179.5088 78 Q 3.7577 7.7367 118.5152 59.4408 29.2534 178.4788 79 R 3.9874 8.0995 119.0320 58.7188 30.0110 178.6101 80 L 3.9191 7.9983 120.5814 58.2315 41.9476 179.3850 81 V 4.2468 7.2688 118.9044 65.6801 31.3397 177.9069 82 V 3.3968 7.5798 116.4234 66.3057 31.2658 177.5876 83 A 4.1784 8.4080 119.9018 54.0240 18.2892 176.8905 84 G 3.2946 8.2935 109.3271 45.1053 0.0000 173.8432 85 A 4.1849 7.9028 124.1394 51.9525 19.2066 176.9300 86 E 4.3313 9.3367 121.5861 56.2325 31.2999 175.3228 87 D 5.1131 8.6018 123.9798 52.9383 42.8639 175.1665 88 Q 4.6031 8.2064 125.4307 55.4157 30.9011 177.2834 89 R 4.4701 7.9162 113.4468 58.4738 29.8551 176.0216 90 R 4.4942 7.2020 115.1500 55.9776 34.4261 174.2060 91 H 4.7912 8.2343 112.3406 54.2881 27.5663 173.9307 92 L 3.7613 7.9790 125.3825 59.0687 42.2745 176.5136 93 M 2.8241 9.0350 118.5825 56.5626 28.7407 173.3503 94 A 3.5014 8.3673 127.3535 51.1101 15.0617 175.7801 95 D 4.4093 8.2451 118.6330 53.7453 40.0665 177.6071 96 D 4.5391 8.5876 121.6163 54.4313 41.3900 175.7810 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 23 M 8.29 4.76 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 24 S 8.03 4.76 0.00 3.97 3.99 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 25 I 8.45 4.50 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 1.18 0.74 0.91 0.00 0.00 26 E 9.07 4.88 0.00 2.07 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 2.19 2.30 0.00 27 I 8.21 4.86 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 1.23 1.05 0.91 0.00 0.00 28 D 8.94 4.67 0.00 2.78 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 29 S 8.62 4.23 0.00 3.87 3.87 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 0.00 0.00 0.00 30 E 8.43 4.13 0.00 1.97 2.02 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 0.00 2.32 2.42 0.00 31 Q 7.88 4.21 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 32 G 8.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.44 4.62 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 1.27 0.00 0.00 0.94 0.00 0.00 34 C 9.20 5.01 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.78 0.00 3.89 3.71 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 0.00 0.00 0.00 0.00 36 V 8.47 4.85 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 0.84 0.00 0.00 0.97 0.00 0.00 37 E 9.03 4.64 0.00 2.12 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 2.27 2.25 0.00 38 I 8.02 4.31 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.91 0.00 0.00 39 E 8.84 3.97 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 40 G 8.57 3.76 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 0.00 0.00 0.00 41 S 7.37 3.99 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.43 0.00 1.87 1.79 0.00 3.21 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 43 H 8.37 4.98 0.00 3.16 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.01 4.91 0.00 1.85 1.88 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 45 A 6.99 4.32 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.69 0.00 2.38 2.19 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 47 V 7.97 3.66 2.20 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 0.75 0.00 0.00 0.97 0.00 0.00 48 D 8.05 4.61 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.46 4.75 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.72 4.95 0.00 1.70 1.54 0.93 0.84 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 51 R 8.60 4.98 0.00 1.84 1.68 0.00 3.15 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 52 I 8.23 4.95 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 1.01 0.00 0.00 53 G 8.73 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.34 5.07 4.26 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 1.22 0.00 0.00 55 D 9.61 5.09 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.72 4.16 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 57 E 8.35 4.08 0.00 2.33 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 2.33 2.27 0.00 58 A 7.50 4.60 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.09 3.84 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 60 L 7.24 5.06 0.00 1.65 1.72 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.57 4.88 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.58 2.20 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 0.88 0.00 0.00 1.10 0.00 0.00 63 L 8.19 4.94 0.00 1.72 1.48 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.93 5.05 0.00 2.95 2.81 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 0.00 0.00 0.00 65 I 7.74 4.66 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.46 0.80 0.00 0.00 66 D 9.80 4.43 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.50 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.58 4.28 0.00 1.92 1.94 0.00 1.04 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.24 7.81 69 R 7.83 4.40 0.00 1.31 1.58 0.00 3.16 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 70 L 8.21 4.78 0.00 1.75 1.63 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.72 5.14 0.00 3.18 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.94 4.82 1.85 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 1.29 0.80 0.90 0.00 0.00 73 S 8.23 4.31 0.00 3.91 3.76 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 74 E 8.62 3.93 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 75 E 8.06 3.95 0.00 2.10 1.97 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 2.37 2.45 0.00 76 D 8.40 4.41 0.00 2.87 2.69 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 0.00 0.00 0.00 0.00 77 A 8.26 4.04 1.38 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 0.00 0.00 0.00 78 Q 7.74 3.76 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 79 R 8.10 3.99 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 80 L 8.00 3.92 0.00 2.02 1.68 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.27 4.25 2.20 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 0.88 0.00 0.00 1.08 0.00 0.00 82 V 7.58 3.40 2.21 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 0.86 0.00 0.00 0.97 0.00 0.00 83 A 8.41 4.18 1.39 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 0.00 0.00 0.00 84 G 8.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.90 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.34 4.33 0.00 2.29 1.80 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 2.29 2.29 0.00 87 D 8.60 5.11 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.21 4.60 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 89 R 7.92 4.47 0.00 1.91 2.07 0.00 2.65 0.00 0.00 3.88 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 90 R 7.20 4.49 0.00 1.87 1.79 0.00 3.18 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 H 8.23 4.79 0.00 3.24 3.32 0.00 5.57 0.00 0.00 0.00 0.00 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.98 3.76 0.00 1.71 1.77 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 M 9.03 2.82 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 94 A 8.37 3.50 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.25 4.41 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 96 D 8.59 4.54 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00