NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 49 A 4.3701 8.1233 122.4636 51.8491 20.3010 176.0201 50 L 4.7291 8.3704 122.0665 51.8085 44.1576 174.3393 51 C 4.1789 9.5663 124.5223 59.2017 32.6251 174.3229 52 A 4.1352 8.5827 130.4608 54.3205 18.2907 178.1418 53 I 4.1383 7.7303 115.8589 62.9411 38.2858 176.5133 54 C 5.1285 7.5299 111.6793 56.8002 30.7070 175.2503 55 G 3.9171 8.2548 109.3089 45.1546 0.0000 172.9001 56 D 4.7362 7.6258 119.6261 53.3747 43.0640 174.9689 57 R 4.3657 8.4634 116.9859 56.2293 30.2567 175.8895 58 A 4.5173 8.7168 126.1107 51.4188 19.6204 176.9888 59 T 4.3573 8.5832 110.5631 61.5477 70.0500 172.8839 60 G 3.6040 7.9548 108.0582 44.1388 0.0000 172.9771 61 K 4.5000 8.1749 118.7859 56.0544 33.0197 176.5581 62 H 4.3706 9.1506 121.1730 55.1010 31.7405 173.1820 63 Y 3.7126 9.1832 120.3851 59.3159 35.3346 171.2861 64 G 4.0885 8.5398 105.6092 45.2419 0.0000 173.9152 65 A 4.8280 7.9853 120.6038 49.8946 23.4915 175.5044 66 S 4.8756 8.5720 115.0382 58.2928 64.5175 173.4164 67 S 4.9473 8.7426 118.0522 57.1759 67.2263 173.5143 68 C 5.0754 8.4114 115.1741 56.6039 30.9739 174.2519 69 D 4.4902 8.5949 118.8367 57.0010 40.0522 179.3780 70 G 3.5430 7.9734 106.1142 48.2107 0.0000 175.6464 71 C 4.3429 8.0842 119.3938 61.7996 28.1832 175.9352 72 K 4.2327 8.1061 121.3649 59.6685 31.8305 179.0968 73 G 3.6979 8.2633 105.9672 47.6239 0.0000 175.1826 74 F 4.1735 8.7086 123.4935 61.0852 39.3298 177.0181 75 F 3.7772 8.4147 120.0424 61.1240 39.2135 176.7735 76 R 3.3692 7.7244 118.0774 59.5852 29.9596 178.6136 77 R 3.8174 7.9381 117.5898 59.2102 29.9171 179.3089 78 S 3.9004 7.6575 114.8697 61.4610 62.7700 176.9655 79 V 3.2734 7.2675 120.9910 65.9954 31.0005 178.2957 80 R 3.8231 7.6317 116.5139 58.5173 29.9291 178.1851 81 K 4.1327 7.4477 114.9652 54.9149 32.4995 175.7954 82 N 4.0749 7.6981 116.6827 54.5826 37.9677 173.7078 83 H 4.3850 7.8939 112.6232 55.1325 29.4872 175.2535 84 M 4.4018 7.9475 120.6216 54.3914 34.4179 176.3389 85 Y 3.8673 7.8574 115.7065 57.8145 36.9496 168.3635 86 S 4.4242 8.5511 111.9675 57.8722 65.5696 173.0938 87 C 4.5196 7.5613 123.4936 58.3541 32.3474 173.3844 88 R 4.3106 8.4891 121.6153 56.3130 30.7093 176.6975 89 F 4.8158 7.4761 116.5272 58.6017 39.0829 176.0116 90 S 4.7298 9.1937 125.0197 58.8007 62.5955 173.5694 91 R 4.0916 8.2457 116.7518 57.3172 27.5992 176.3032 92 Q 4.6851 7.8368 111.9312 55.3543 29.9840 175.4433 93 C 4.2132 8.0489 114.4565 59.0878 29.2429 174.3495 94 V 3.6634 8.1109 122.6116 63.0076 31.2338 176.5229 95 V 4.0604 8.1335 129.2793 60.8267 30.3803 173.7314 96 D 5.8500 7.5931 123.8619 49.1741 42.7442 177.1412 97 K 3.7728 8.8495 119.3372 60.0023 31.8581 177.5587 98 D 4.4726 8.1589 116.2785 56.2919 41.1536 177.1229 99 K 4.4242 8.4385 116.8027 55.6659 33.0463 177.9981 100 R 3.8328 7.8932 116.2812 59.1759 29.0277 177.2018 101 N 4.5593 7.8580 112.5931 53.4221 38.9310 175.8023 102 Q 4.0513 8.3950 118.9419 58.1648 29.2840 176.2701 103 C 4.5570 7.6234 117.0644 56.8555 33.9908 174.2289 104 R 3.6528 8.4491 128.5246 59.1469 29.6642 178.0112 105 Y 4.2868 8.1419 118.8559 61.4060 38.8041 178.1692 106 C 4.2696 8.3367 116.8738 62.5895 28.3852 175.9572 107 R 3.7799 8.0700 120.4203 59.3224 29.7757 178.3164 108 L 4.3692 8.6102 120.5881 58.2238 42.1683 178.7282 109 K 4.0857 8.2491 119.6356 59.5896 32.0634 178.6867 110 K 4.0782 8.2908 119.7303 59.3397 32.0723 178.6795 111 C 4.0472 7.9717 117.2027 62.7958 28.0321 176.0519 112 F 4.4495 8.0745 119.0170 60.6344 38.2689 178.0005 113 R 4.0032 8.0514 116.7161 59.1827 29.9674 178.6854 114 A 4.1724 8.2363 119.7260 52.9467 18.4632 177.6639 115 G 3.8935 7.6127 103.5033 45.5288 0.0000 174.6213 116 M 4.2848 7.7416 120.3825 55.1524 32.6293 175.9167 117 K 5.0434 8.7307 121.3577 54.3646 35.6314 177.7722 118 K 4.0183 9.1779 122.1135 59.5181 32.3578 178.7183 119 E 3.8911 8.5467 118.2732 59.2957 29.4132 177.7068 120 A 4.2673 7.8792 119.6207 53.7251 18.8375 177.4057 121 V 4.0195 7.8830 117.0234 62.2061 32.1428 175.7335 122 Q 4.5002 8.4130 125.7679 54.5034 30.4060 175.2269 123 N 4.5467 8.1754 116.8590 53.1804 40.2831 175.2936 124 E 4.0654 8.6646 118.9140 57.0977 30.3962 174.2125 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 49 A 8.12 4.37 1.26 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 0.00 0.00 50 L 8.37 4.73 0.00 1.68 1.58 0.91 0.66 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 51 C 9.57 4.18 0.00 2.98 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 52 A 8.58 4.14 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 53 I 7.73 4.14 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.48 0.88 0.00 0.00 54 C 7.53 5.13 0.00 2.97 3.08 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 55 G 8.25 3.92 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 0.00 0.00 0.00 56 D 7.63 4.74 0.00 2.80 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 57 R 8.46 4.37 0.00 1.92 2.05 0.00 3.01 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 58 A 8.72 4.52 1.24 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 0.00 0.00 59 T 8.58 4.36 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 1.34 0.00 0.00 60 G 7.95 3.60 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 61 K 8.17 4.50 0.00 1.65 1.66 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 62 H 9.15 4.37 0.00 2.97 2.76 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.18 3.71 0.00 3.05 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 64 G 8.54 4.09 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 0.00 65 A 7.99 4.83 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.57 4.88 0.00 3.88 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 67 S 8.74 4.95 0.00 3.93 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 68 C 8.41 5.08 0.00 3.13 3.23 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 69 D 8.59 4.49 0.00 2.72 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 70 G 7.97 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.08 4.34 0.00 3.02 3.06 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 72 K 8.11 4.23 0.00 1.85 1.92 0.00 1.11 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.26 7.81 73 G 8.26 3.70 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 0.00 0.00 0.00 74 F 8.71 4.17 0.00 3.21 3.36 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 75 F 8.41 3.78 0.00 3.27 3.09 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 76 R 7.72 3.37 0.00 1.87 2.05 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 77 R 7.94 3.82 0.00 1.79 1.91 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 78 S 7.66 3.90 0.00 3.47 3.65 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 0.00 0.00 0.00 0.00 79 V 7.27 3.27 1.56 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 0.83 0.00 0.00 -0.08 0.00 0.00 80 R 7.63 3.82 0.00 1.75 1.88 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 81 K 7.45 4.13 0.00 1.44 1.28 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.48 7.81 82 N 7.70 4.07 0.00 2.70 2.73 0.00 0.00 7.15 7.43 0.00 0.00 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 H 7.89 4.38 0.00 2.51 1.75 0.00 5.65 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 84 M 7.95 4.40 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 85 Y 7.86 3.87 0.00 3.48 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 86 S 8.55 4.42 0.00 3.83 3.81 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 87 C 7.56 4.52 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.31 0.00 1.51 1.81 0.00 2.88 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.00 89 F 7.48 4.82 0.00 3.00 2.36 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 90 S 9.19 4.73 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 91 R 8.25 4.09 0.00 2.02 2.25 0.00 3.25 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.54 0.00 92 Q 7.84 4.69 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.75 0.00 93 C 8.05 4.21 0.00 2.97 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 94 V 8.11 3.66 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 0.76 0.00 0.00 0.88 0.00 0.00 95 V 8.13 4.06 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 0.90 0.00 0.00 0.97 0.00 0.00 96 D 7.59 5.85 0.00 2.86 2.73 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 97 K 8.85 3.77 0.00 1.71 1.89 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.47 7.81 98 D 8.16 4.47 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.44 4.42 0.00 1.91 1.74 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.40 7.81 100 R 7.89 3.83 0.00 1.75 2.15 0.00 2.97 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 101 N 7.86 4.56 0.00 2.68 2.84 0.00 0.00 6.95 7.69 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 0.00 102 Q 8.40 4.05 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 103 C 7.62 4.56 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.45 3.65 0.00 1.31 0.66 0.00 2.97 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 105 Y 8.14 4.29 0.00 3.36 3.09 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 0.00 106 C 8.34 4.27 0.00 3.10 3.02 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 0.00 0.00 0.00 107 R 8.07 3.78 0.00 1.67 1.56 0.00 2.60 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 108 L 8.61 4.37 0.00 2.27 2.08 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.25 4.09 0.00 1.65 1.92 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.48 7.81 110 K 8.29 4.08 0.00 2.02 1.91 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 111 C 7.97 4.05 0.00 3.20 2.45 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 0.00 112 F 8.07 4.45 0.00 3.36 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 0.00 113 R 8.05 4.00 0.00 2.00 2.03 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 114 A 8.24 4.17 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 0.00 115 G 7.61 3.89 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 0.00 0.00 0.00 116 M 7.74 4.28 0.00 0.51 0.74 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 117 K 8.73 5.04 0.00 1.94 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 118 K 9.18 4.02 0.00 1.91 1.88 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.80 7.81 119 E 8.55 3.89 0.00 1.99 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 2.35 2.37 0.00 120 A 7.88 4.27 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 4.02 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 0.61 0.00 0.00 0.40 0.00 0.00 122 Q 8.41 4.50 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 123 N 8.18 4.55 0.00 2.71 2.78 0.00 0.00 6.97 7.66 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 0.00 124 E 8.66 4.07 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00