NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 V 4.1132 8.0393 114.0583 61.0550 33.0160 175.0486 59 T 3.9677 8.2512 112.0827 61.4130 70.5062 172.0998 60 I 3.9266 9.0291 126.1173 61.7837 37.3620 177.8366 61 Q 4.4649 9.1431 125.7091 55.8777 31.7853 173.6994 62 P 5.2675 0.0000 0.0000 60.9821 34.9106 173.9589 63 S 4.7567 8.0894 114.1116 57.3712 66.6360 173.3024 64 G 4.3884 7.9219 101.8108 45.3250 0.0000 172.9046 65 V 4.5252 8.4809 126.1144 60.2956 34.1589 174.9943 66 K 5.0412 8.6962 126.0768 54.8669 34.2560 174.5905 67 D 4.2655 8.2962 125.3999 53.5826 43.5710 176.6429 68 A 4.0464 10.0344 120.5803 52.3705 17.8110 178.0880 69 A 4.1421 7.9129 122.2804 51.0091 19.3764 176.9090 70 V 3.8583 7.5562 118.8037 63.1120 32.7262 175.5146 71 V 3.3751 7.9808 125.0088 63.3768 31.7345 171.8528 72 L 3.7299 9.4048 134.8509 54.5926 39.2961 173.6425 73 S 4.8652 8.4902 115.7891 57.5932 65.8747 172.8193 74 T 5.0124 8.7116 110.9450 60.4421 72.9358 172.5838 75 T 4.8350 8.2147 110.2894 60.5102 72.2434 173.5186 76 K 5.0662 8.7412 124.4771 55.5109 34.2200 175.0969 77 T 4.6694 8.2725 114.3996 60.1509 71.8280 174.6616 78 K 5.0003 7.9267 121.5554 56.2677 35.6003 175.3745 79 K 4.3239 7.7793 115.2110 56.7485 35.6170 174.6788 80 Q 4.2593 8.6474 117.8127 56.5524 31.6136 170.5435 81 N 4.4740 8.6090 127.3591 52.4473 38.6442 175.1505 82 A 4.1975 8.6797 124.6571 54.4023 18.7551 176.9576 83 P 4.4678 0.0000 0.0000 64.7132 32.4804 177.3022 84 A 3.9970 7.5460 121.7802 54.3648 18.3882 178.5496 85 K 3.6803 7.9301 112.1820 57.2017 29.2457 176.1546 86 L 4.3112 7.8256 117.4070 56.2064 41.2820 176.3946 87 Y 4.8828 7.9669 112.0724 57.3653 38.5524 172.4710 88 H 4.7713 7.9493 125.4943 55.3724 30.8587 174.6324 89 K 4.8193 7.8084 120.4307 54.6232 36.6750 177.0471 90 S 4.5664 8.6324 114.2726 59.4827 68.2580 172.5565 91 V 3.5826 8.0519 125.7619 62.7682 32.3921 172.0058 92 M 4.8986 8.4033 121.3315 54.3095 34.3386 174.8343 93 R 4.2807 8.7848 115.6073 56.2530 29.1023 176.5127 94 K 4.3364 8.3172 117.0042 57.8021 33.5658 178.9456 95 E 3.8746 7.7857 118.4922 59.4110 29.2161 179.0251 96 F 4.7411 7.9387 116.5433 59.5992 38.8071 177.7832 97 R 3.9744 7.1813 115.5723 59.2798 30.1560 178.1867 98 K 4.1344 7.7152 117.9044 59.8372 32.1229 179.3135 99 M 4.1074 7.9993 118.0167 57.9842 31.9400 178.2914 100 A 4.6962 7.5779 118.7221 52.6313 20.5805 178.2927 101 K 4.4474 7.9539 120.1850 57.6726 35.6080 179.1009 102 A 4.0580 8.5789 121.2586 55.1988 18.0019 179.7619 103 V 3.5735 7.6818 115.6621 66.1522 31.5178 178.1340 104 K 4.1342 7.9621 117.7848 59.3371 31.9104 178.8930 105 N 4.2731 8.1285 116.9925 56.4037 38.2095 177.4070 106 Q 4.0495 7.7436 118.5345 58.2323 28.7655 178.2432 107 V 4.3688 6.8321 111.3511 60.4802 33.0242 175.7997 108 S 4.3487 8.3118 119.9686 57.9722 67.9722 175.5466 109 D 4.0634 8.8992 119.9398 53.0385 40.0684 175.3208 110 N 3.4526 8.4798 109.6741 54.2162 35.4569 174.6326 111 Y 4.1311 7.3767 125.4008 61.4378 37.9728 178.5212 112 Y 4.3307 6.9842 116.8776 61.3621 37.7946 179.2284 113 R 4.0114 7.9905 116.9567 58.9478 30.4873 176.9988 114 P 4.5206 0.0000 0.0000 64.8666 31.3397 178.4659 115 D 4.4183 8.2008 118.0519 57.3668 40.4132 178.4741 116 L 4.0975 8.1708 121.0378 57.8495 41.6728 177.8932 117 T 4.8602 7.4611 108.6967 61.8464 69.0673 176.6815 118 K 4.1826 7.9090 122.8280 58.9227 32.6719 176.5571 119 P 4.6159 0.0000 0.0000 63.3589 31.7605 177.5030 120 A 3.9743 7.5386 121.7934 55.4851 18.2968 179.6714 121 L 3.9486 7.9210 116.7434 57.8694 41.6426 179.4999 122 A 4.1491 7.6049 122.0893 54.7646 18.4799 179.9327 123 R 3.8619 8.2717 117.0214 59.3484 29.9866 179.2605 124 L 3.7824 7.9449 119.0762 57.5479 41.5344 179.0685 125 S 4.6027 8.5474 112.6751 59.5585 63.4439 175.9184 126 S 4.2291 7.5941 117.8088 60.9515 61.2564 175.9672 127 V 3.5238 7.4965 120.9909 66.0879 31.3694 176.6064 128 Y 4.5927 7.5512 114.8168 58.4988 37.7803 176.0142 129 R 4.4399 7.6412 119.5204 57.0362 31.3282 176.6320 130 S 4.2788 7.4093 115.5512 58.9997 63.0941 175.1090 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 58 V 8.04 4.11 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 0.92 0.00 0.00 0.93 0.00 0.00 59 T 8.25 3.97 4.22 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 1.19 0.00 0.00 60 I 9.03 3.93 1.86 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 1.29 0.61 0.90 0.00 0.00 61 Q 9.14 4.46 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 62 P 0.00 5.27 0.00 2.06 2.23 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 63 S 8.09 4.76 0.00 3.86 3.88 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 0.00 0.00 0.00 64 G 7.92 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 0.00 0.00 0.00 0.00 65 V 8.48 4.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 66 K 8.70 5.04 0.00 1.80 1.74 0.00 2.11 0.00 0.00 2.45 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.34 7.81 67 D 8.30 4.27 0.00 2.75 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 0.00 0.00 0.00 0.00 68 A 10.03 4.05 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 69 A 7.91 4.14 1.09 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 0.00 0.00 0.00 0.00 0.00 70 V 7.56 3.86 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 0.81 0.00 0.00 0.88 0.00 0.00 71 V 7.98 3.38 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 0.95 0.00 0.00 0.85 0.00 0.00 72 L 9.40 3.73 0.00 1.88 1.80 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.49 4.87 0.00 3.95 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 74 T 8.71 5.01 4.29 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 1.31 0.00 0.00 75 T 8.21 4.83 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 76 K 8.74 5.07 0.00 1.61 1.78 0.00 1.72 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 77 T 8.27 4.67 4.36 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 1.37 0.00 0.00 78 K 7.93 5.00 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 79 K 7.78 4.32 0.00 1.60 1.66 0.00 1.55 0.00 0.00 1.45 0.00 0.00 2.37 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.09 1.35 7.81 80 Q 8.65 4.26 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.88 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 81 N 8.61 4.47 0.00 2.95 2.82 0.00 0.00 7.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.68 4.20 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 83 P 0.00 4.47 0.00 2.18 2.17 0.00 3.67 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 1.93 1.94 0.00 84 A 7.55 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 3.68 0.00 1.88 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.51 7.81 86 L 7.83 4.31 0.00 1.78 1.67 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.97 4.88 0.00 2.96 2.88 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 0.00 0.00 0.00 88 H 7.95 4.77 0.00 3.29 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.81 4.82 0.00 1.65 1.64 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.53 7.81 90 S 8.63 4.57 0.00 4.01 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 91 V 8.05 3.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 92 M 8.40 4.90 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 93 R 8.78 4.28 0.00 2.16 2.25 0.00 3.17 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 94 K 8.32 4.34 0.00 1.73 1.80 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 95 E 7.79 3.87 0.00 1.54 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 96 F 7.94 4.74 0.00 3.11 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.18 3.97 0.00 2.11 2.20 0.00 3.33 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 98 K 7.72 4.13 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.69 7.81 99 M 8.00 4.11 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 100 A 7.58 4.70 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.95 4.45 0.00 1.81 1.82 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.56 7.81 102 A 8.58 4.06 1.42 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 0.00 0.00 0.00 103 V 7.68 3.57 2.10 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 0.88 0.00 0.00 1.00 0.00 0.00 104 K 7.96 4.13 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.66 7.81 105 N 8.13 4.27 0.00 2.87 2.63 0.00 0.00 6.95 7.91 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 0.00 106 Q 7.74 4.05 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.39 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 107 V 6.83 4.37 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 0.77 0.00 0.00 1.03 0.00 0.00 108 S 8.31 4.35 0.00 3.88 3.24 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 0.00 109 D 8.90 4.06 0.00 2.66 2.60 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 0.00 110 N 8.48 3.45 0.00 2.80 3.06 0.00 0.00 6.79 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 7.38 4.13 0.00 2.65 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 0.00 112 Y 6.98 4.33 0.00 3.16 2.95 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 0.00 113 R 7.99 4.01 0.00 1.79 2.03 0.00 3.31 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 114 P 0.00 4.52 0.00 2.26 2.11 0.00 4.09 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 2.24 2.02 0.00 115 D 8.20 4.42 0.00 3.10 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 0.00 116 L 8.17 4.10 0.00 1.90 1.93 0.95 0.58 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 0.00 117 T 7.46 4.86 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 1.24 0.00 0.00 118 K 7.91 4.18 0.00 2.00 1.90 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.65 7.81 119 P 0.00 4.62 0.00 2.27 2.29 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 120 A 7.54 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.92 3.95 0.00 1.85 1.77 1.04 1.08 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 0.00 122 A 7.60 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.27 3.86 0.00 2.01 1.95 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 124 L 7.94 3.78 0.00 1.84 1.60 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.55 4.60 0.00 4.10 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.59 4.23 0.00 3.95 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 0.00 127 V 7.50 3.52 1.93 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 0.60 0.00 0.00 0.86 0.00 0.00 128 Y 7.55 4.59 0.00 2.99 2.87 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 0.00 129 R 7.64 4.44 0.00 2.02 1.99 0.00 3.22 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 130 S 7.41 4.28 0.00 4.08 3.77 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