NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 S 4.3319 8.3344 115.4151 57.4445 64.3166 172.5707 32 V 3.3330 8.2811 120.2289 62.9334 31.1608 173.6511 33 A 4.6964 8.2393 130.6779 50.9656 21.4831 176.2114 34 C 4.1383 8.1806 115.6088 57.3070 32.0922 174.8827 35 L 3.9934 8.0526 120.9057 58.0233 40.9539 179.9963 36 S 4.1035 7.8635 114.6087 61.7626 62.8301 175.9904 37 C 3.9791 8.0357 118.6501 63.0275 27.6855 176.2562 38 R 3.8507 8.0981 119.1961 59.4625 29.8785 178.3924 39 K 4.1295 8.4848 117.4970 58.5746 32.2477 177.9798 40 R 4.2492 8.1185 117.0060 55.9075 30.7971 175.7113 41 H 4.1309 8.4583 114.9506 57.0807 26.4007 174.5328 42 I 4.5447 7.5393 110.5548 58.2630 40.1154 174.9635 43 K 3.9427 8.5168 123.7214 56.7059 31.0226 175.7638 44 C 4.4389 8.6346 127.1888 57.8793 32.2416 172.4457 45 P 4.2628 0.0000 0.0000 64.0657 31.3791 177.0202 46 G 3.8281 7.5424 105.0427 45.5389 0.0000 173.1009 47 G 4.3257 8.5401 104.3714 45.2568 0.0000 172.8411 48 N 5.1526 8.3141 115.8863 50.0823 39.6858 172.2849 49 P 4.5208 0.0000 0.0000 61.6945 32.5330 176.4489 50 C 4.7313 8.6107 119.4050 57.7162 31.2997 174.9399 51 Q 3.9773 8.5403 119.8848 59.1646 28.1474 178.9038 52 K 3.8684 8.1281 117.7144 59.9499 32.3532 178.6376 53 C 4.3540 7.8575 117.4181 62.3921 28.0393 176.2064 54 V 3.6904 7.6173 113.8618 64.5250 30.9478 177.8781 55 T 4.4976 7.6946 106.4814 62.2450 69.2635 175.0359 56 S 4.5762 7.8433 114.7298 57.0863 64.3290 173.7134 57 N 3.9776 7.6339 114.8813 54.4608 36.5885 173.9728 58 A 4.5916 7.7190 118.2326 50.6523 20.9677 177.4806 59 I 3.9374 8.0450 121.5328 60.7713 37.8119 175.3368 60 C 4.3481 8.5307 126.6602 58.4296 31.8529 172.2706 61 E 4.8482 8.4020 125.2943 54.6858 33.1612 174.6844 62 Y 5.0550 8.5656 118.3386 56.2616 41.8134 174.9549 63 L 4.8954 8.4446 120.0233 52.6734 45.3367 176.4615 64 E 4.1487 8.6699 121.4509 55.4079 29.9871 175.4969 65 P 4.3918 0.0000 0.0000 63.2527 32.4695 176.0962 66 S 4.7079 8.0677 112.2449 56.6731 62.1412 174.0916 67 K 4.2022 7.7290 120.9855 56.5531 33.0073 176.9294 68 K 4.7219 8.1591 120.1973 55.2215 36.2264 174.8479 69 I 4.5765 7.8830 112.4731 60.2053 40.3925 174.0240 70 V 4.4497 8.1145 113.0935 59.6616 33.7164 175.6785 71 V 4.5538 7.9710 115.9466 58.5452 35.9142 175.8038 72 S 4.4566 8.2368 115.5883 58.6995 65.0532 175.4145 73 T 4.1082 8.4042 119.6593 66.1225 68.3007 177.2850 74 K 4.0539 8.0125 121.6070 59.6111 32.3107 177.5938 75 Y 4.2025 8.0018 119.9353 60.9298 38.5879 177.9464 76 L 3.7492 7.6108 119.2236 58.3753 42.2635 178.6396 77 Q 4.0893 8.3462 118.1583 59.1939 28.6634 179.2676 78 Q 3.8431 8.5570 120.4150 59.0503 29.2083 177.5289 79 L 3.7236 7.7827 121.7190 58.6644 41.8919 179.2158 80 Q 3.9722 8.3860 117.9203 58.7344 28.6905 178.5895 81 K 4.0256 8.0813 120.6276 59.1157 32.1105 178.6070 82 D 4.3942 8.5088 119.8632 56.7703 40.8062 178.3500 83 L 3.9160 7.9411 120.9503 58.1112 42.0780 178.7589 84 N 4.2953 7.9519 116.1276 56.3798 38.4097 177.0921 85 D 4.3151 7.8168 119.5532 57.4600 41.0120 179.0103 86 K 3.9505 8.2901 119.1898 59.8362 32.0422 179.5618 87 T 3.9446 8.2063 116.2515 66.3731 68.2918 176.3658 88 E 3.8780 7.9315 120.7671 59.3733 29.8075 178.4507 89 E 3.9296 8.4239 119.6655 59.2051 29.6212 178.2293 90 N 4.2774 8.7162 117.4125 56.8791 39.0694 176.6798 91 N 4.3480 8.2597 117.8562 56.1112 38.4613 177.5281 92 R 3.8502 8.0244 120.1999 59.2658 30.1849 178.2784 93 L 3.9353 8.4208 120.4382 58.2031 42.2234 178.9893 94 K 3.9020 8.2192 118.1970 59.5493 31.7919 179.1228 95 A 4.1056 7.6919 119.0730 54.2556 18.5296 179.2220 96 L 4.0585 7.5503 119.5045 58.1929 42.1003 178.7171 97 L 3.9988 7.9039 118.9638 57.9315 42.0242 178.3894 98 L 4.0643 7.6862 119.1314 56.6425 42.3031 177.1582 99 E 4.1093 7.3989 117.8696 56.5833 30.0917 177.1408 100 R 4.1717 8.3848 119.1044 56.5747 30.3004 176.6129 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 31 S 8.33 4.33 0.00 4.00 3.97 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 32 V 8.28 3.33 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 0.88 0.00 0.00 0.94 0.00 0.00 33 A 8.24 4.70 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 34 C 8.18 4.14 0.00 2.69 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 0.00 0.00 0.00 35 L 8.05 3.99 0.00 1.65 1.72 0.89 1.05 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 36 S 7.86 4.10 0.00 3.79 3.86 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 0.00 0.00 0.00 37 C 8.04 3.98 0.00 3.08 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 38 R 8.10 3.85 0.00 1.88 2.13 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 39 K 8.48 4.13 0.00 1.75 2.10 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 40 R 8.12 4.25 0.00 2.07 1.97 0.00 3.45 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 41 H 8.46 4.13 0.00 3.26 3.43 0.00 5.62 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 42 I 7.54 4.54 1.88 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 1.47 0.67 0.96 0.00 0.00 43 K 8.52 3.94 0.00 1.75 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 44 C 8.63 4.44 0.00 3.03 2.84 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 45 P 0.00 4.26 0.00 2.24 2.19 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 46 G 7.54 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 0.00 0.00 0.00 47 G 8.54 4.33 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 0.00 48 N 8.31 5.15 0.00 2.96 3.13 0.00 0.00 6.09 7.75 0.00 0.00 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 P 0.00 4.52 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 50 C 8.61 4.73 0.00 3.34 3.39 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 51 Q 8.54 3.98 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 52 K 8.13 3.87 0.00 1.71 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.51 7.81 53 C 7.86 4.35 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.69 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 1.11 0.00 0.00 1.08 0.00 0.00 55 T 7.69 4.50 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 1.28 0.00 0.00 56 S 7.84 4.58 0.00 3.97 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 57 N 7.63 3.98 0.00 2.84 2.88 0.00 0.00 6.77 7.23 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 58 A 7.72 4.59 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 59 I 8.05 3.94 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 0.58 0.89 0.00 0.00 60 C 8.53 4.35 0.00 2.93 2.83 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 61 E 8.40 4.85 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 62 Y 8.57 5.06 0.00 2.83 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 63 L 8.44 4.90 0.00 1.62 1.55 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.67 4.15 0.00 1.97 1.91 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 2.33 2.28 0.00 65 P 0.00 4.39 0.00 2.04 2.02 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 66 S 8.07 4.71 0.00 3.78 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.73 4.20 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 68 K 8.16 4.72 0.00 1.68 1.66 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.60 7.81 69 I 7.88 4.58 1.87 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 1.43 0.45 0.91 0.00 0.00 70 V 8.11 4.45 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 0.77 0.00 0.00 0.93 0.00 0.00 71 V 7.97 4.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 72 S 8.24 4.46 0.00 4.08 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 73 T 8.40 4.11 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 74 K 8.01 4.05 0.00 1.89 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.60 7.81 75 Y 8.00 4.20 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.61 3.75 0.00 1.89 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.35 4.09 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 78 Q 8.56 3.84 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 79 L 7.78 3.72 0.00 1.62 1.62 0.64 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.39 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 81 K 8.08 4.03 0.00 1.85 2.00 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 82 D 8.51 4.39 0.00 2.71 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 83 L 7.94 3.92 0.00 1.85 1.63 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.95 4.30 0.00 2.93 2.84 0.00 0.00 7.02 9.28 0.00 0.00 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 D 7.82 4.32 0.00 2.83 2.70 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 0.00 0.00 0.00 0.00 86 K 8.29 3.95 0.00 1.74 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.62 7.81 87 T 8.21 3.94 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 E 7.93 3.88 0.00 2.14 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 0.00 2.30 2.31 0.00 89 E 8.42 3.93 0.00 2.05 2.04 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 2.30 2.32 0.00 90 N 8.72 4.28 0.00 2.91 2.99 0.00 0.00 7.22 6.60 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 91 N 8.26 4.35 0.00 2.96 2.84 0.00 0.00 6.70 6.97 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 92 R 8.02 3.85 0.00 1.89 2.09 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 93 L 8.42 3.94 0.00 2.04 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.22 3.90 0.00 2.05 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.67 7.81 95 A 7.69 4.11 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 96 L 7.55 4.06 0.00 1.90 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.90 4.00 0.00 1.82 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.69 4.06 0.00 1.88 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.40 4.11 0.00 2.13 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 2.35 2.46 0.00 100 R 8.38 4.17 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00