NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 M 4.3564 8.2931 120.3450 54.2666 33.3479 174.4711 52 G 4.1250 8.1005 125.8927 45.8573 0.0000 170.7310 53 H 4.4990 7.9161 123.0350 54.8507 27.8285 172.8906 54 H 4.5339 7.5442 117.7657 55.2259 30.8661 172.4440 55 H 4.3587 8.1404 120.9936 54.8839 29.3390 175.7648 56 H 4.4022 8.3697 118.9381 55.9452 29.2699 175.2775 57 H 4.3167 8.6068 120.2809 55.7727 29.1257 175.6041 58 H 4.3654 8.6837 123.1059 56.4178 28.1595 175.0313 59 S 4.4724 8.1008 121.7068 56.8505 64.5178 175.7227 60 H 4.5492 8.0054 116.0846 55.0378 25.9802 174.0255 61 S 4.6726 7.8586 120.0954 56.4469 66.6005 173.6338 62 K 3.8335 8.8714 128.4109 59.9946 31.7759 179.1177 63 Y 3.9834 7.8698 116.4330 61.0060 37.7764 178.0757 64 A 4.0653 8.1563 121.2790 55.1596 18.4841 179.1526 65 E 3.7913 8.1530 117.6672 59.1010 29.8816 178.6743 66 L 3.8596 8.1869 120.8129 57.9420 42.1029 178.7592 67 L 3.9404 8.2056 120.1986 58.1806 41.8184 178.8354 68 A 4.2973 7.6483 121.7185 54.4664 18.2118 179.8109 69 I 3.5173 7.8579 118.5153 64.8263 37.0081 178.7904 70 I 3.8032 7.6459 120.4410 64.1260 36.7791 178.3773 71 E 4.0799 8.4233 118.6400 58.9222 29.3260 179.0467 72 E 3.9112 7.5689 120.5099 59.3375 29.4043 178.4897 73 L 4.1202 8.0119 119.0768 57.9395 41.3777 179.9086 74 G 3.3596 7.5745 103.5861 47.2544 0.0000 175.5626 75 K 4.1397 8.0291 122.0384 59.3887 32.4548 178.1309 76 E 4.2625 7.6907 116.2128 57.1616 29.3577 178.8711 77 I 3.7624 7.3594 121.0947 64.3778 37.2505 178.0881 78 R 3.9908 8.0404 118.6404 59.0236 30.0140 177.2197 79 P 4.3168 0.0000 0.0000 66.0565 31.3416 178.3863 80 T 3.8611 7.8399 115.0897 66.8154 68.2281 175.9293 81 Y 4.1496 8.1989 119.7751 60.2350 38.7734 176.8756 82 A 4.3589 7.6995 119.6066 51.4292 18.7856 177.0165 83 G 3.6486 7.8291 106.1300 47.5991 0.0000 174.4358 84 S 4.6544 7.9665 116.3455 56.4173 63.7551 175.7341 85 K 4.0318 8.5746 126.9572 58.9632 32.0540 178.8854 86 S 4.3122 8.0220 114.4009 61.1945 63.0141 176.2204 87 A 4.1274 7.9147 124.1895 55.1498 18.3301 179.3336 88 M 4.0068 7.8133 115.5649 58.4393 31.1239 178.7236 89 E 3.9583 7.8940 118.9797 59.4529 29.6683 179.5078 90 R 3.9448 7.8482 117.6606 58.8786 30.0589 178.8260 91 L 3.8876 8.1991 120.4920 58.1567 42.1933 179.0186 92 K 3.9278 8.1164 119.4823 59.3218 32.1132 178.5918 93 R 3.9772 8.1878 119.1692 59.6154 30.0063 178.8459 94 G 3.6389 8.1143 105.4158 47.5921 0.0000 175.7390 95 I 3.7157 7.7536 122.1369 64.3887 37.1463 178.6305 96 I 3.7385 7.8381 120.5243 64.6301 36.4345 177.9494 97 H 4.1986 8.2948 118.9324 59.1740 29.6208 177.2192 98 A 3.9057 8.4312 123.0603 55.1618 18.2716 179.5821 99 R 3.9570 7.9791 116.9694 59.4365 30.1908 178.9380 100 G 3.6334 8.1141 105.7202 47.7855 0.0000 175.7121 101 L 4.0228 7.5567 120.5007 57.2896 41.5585 179.6717 102 V 3.5454 7.7908 118.4035 66.0563 31.4826 178.3723 103 R 3.9442 8.1731 117.7874 58.9733 30.0390 178.8325 104 E 3.9669 8.0639 118.4105 59.5001 29.3486 178.8538 105 C 4.2207 8.0724 118.6888 61.9550 31.5351 175.7307 106 L 3.9507 8.1983 120.7915 57.7454 41.1560 179.0506 107 A 3.9859 7.7865 119.2403 55.1104 18.5331 179.0640 108 E 4.0490 7.8050 116.7319 59.8187 29.8235 179.0058 109 T 4.0714 8.2938 115.6021 65.8796 68.5036 176.5825 110 E 4.0110 8.3655 121.9596 59.0246 29.4643 178.8275 111 R 3.9190 7.8499 116.9386 59.0356 30.3769 177.0372 112 N 4.4913 8.0089 113.8258 54.5048 39.9195 174.7699 113 A 4.1987 7.9826 120.2173 51.7526 19.1930 178.1198 114 R 5.5709 5.8400 130.1569 55.1145 33.2574 173.6569 115 S 4.1397 7.4869 116.2456 58.3718 62.3308 173.4794 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 51 M 8.29 4.36 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 52 G 8.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.92 4.50 0.00 3.16 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.54 4.53 0.00 3.03 3.13 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.14 4.36 0.00 3.25 3.24 0.00 5.58 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 56 H 8.37 4.40 0.00 3.19 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.61 4.32 0.00 3.15 3.26 0.00 5.70 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 58 H 8.68 4.37 0.00 3.11 3.29 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.10 4.47 0.00 3.86 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 60 H 8.01 4.55 0.00 3.26 3.37 0.00 5.54 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.86 4.67 0.00 3.92 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 62 K 8.87 3.83 0.00 1.27 1.55 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.34 7.81 63 Y 7.87 3.98 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.07 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 65 E 8.15 3.79 0.00 2.17 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 0.00 2.18 2.17 0.00 66 L 8.19 3.86 0.00 1.89 1.78 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.21 3.94 0.00 1.94 1.67 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.65 4.30 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 69 I 7.86 3.52 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.92 0.00 0.00 70 I 7.65 3.80 1.86 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 1.56 1.31 0.90 0.00 0.00 71 E 8.42 4.08 0.00 2.17 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 0.00 2.45 2.28 0.00 72 E 7.57 3.91 0.00 2.05 2.23 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 2.30 2.33 0.00 73 L 8.01 4.12 0.00 1.87 1.72 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.57 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 0.00 0.00 0.00 75 K 8.03 4.14 0.00 1.85 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 76 E 7.69 4.26 0.00 1.95 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 2.50 2.49 0.00 77 I 7.36 3.76 1.86 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 1.52 0.97 0.89 0.00 0.00 78 R 8.04 3.99 0.00 1.84 2.02 0.00 3.29 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 79 P 0.00 4.32 0.00 2.27 2.32 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 80 T 7.84 3.86 4.47 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 0.00 0.00 1.25 0.00 0.00 81 Y 8.20 4.15 0.00 2.95 3.22 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 82 A 7.70 4.36 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 83 G 7.83 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 0.00 0.00 0.00 84 S 7.97 4.65 0.00 3.90 3.79 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 85 K 8.57 4.03 0.00 1.78 1.79 0.00 1.73 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.43 7.81 86 S 8.02 4.31 0.00 4.09 4.10 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 0.00 0.00 0.00 0.00 87 A 7.91 4.13 1.46 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 0.00 0.00 88 M 7.81 4.01 0.00 2.24 2.35 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 2.65 2.70 0.00 89 E 7.89 3.96 0.00 2.27 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 2.33 2.57 0.00 90 R 7.85 3.94 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 91 L 8.20 3.89 0.00 1.87 1.87 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.12 3.93 0.00 1.97 1.79 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 93 R 8.19 3.98 0.00 2.26 1.92 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 94 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.72 2.06 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 1.52 1.17 0.91 0.00 0.00 96 I 7.84 3.74 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 1.41 0.45 0.91 0.00 0.00 97 H 8.29 4.20 0.00 3.30 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.43 3.91 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 99 R 7.98 3.96 0.00 2.04 2.13 0.00 3.10 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 100 G 8.11 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.56 4.02 0.00 1.78 1.59 0.92 0.79 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 0.00 102 V 7.79 3.55 2.19 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 1.08 0.00 0.00 0.96 0.00 0.00 103 R 8.17 3.94 0.00 1.86 1.95 0.00 3.33 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 104 E 8.06 3.97 0.00 2.14 1.96 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 2.52 2.44 0.00 105 C 8.07 4.22 0.00 2.90 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 0.00 106 L 8.20 3.95 0.00 1.77 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.79 3.99 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 0.00 108 E 7.80 4.05 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 109 T 8.29 4.07 4.31 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 1.25 0.00 0.00 110 E 8.37 4.01 0.00 2.15 1.96 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 2.31 2.35 0.00 111 R 7.85 3.92 0.00 1.98 1.98 0.00 3.42 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 112 N 8.01 4.49 0.00 2.83 2.98 0.00 0.00 7.11 7.72 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 0.00 113 A 7.98 4.20 1.21 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 0.00 0.00 114 R 5.84 5.57 0.00 2.01 1.92 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 0.00 115 S 7.49 4.14 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00