NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 76 A 4.3561 8.2649 123.5831 50.3616 21.3052 176.1168 77 R 4.2032 7.5805 108.9996 54.0881 34.9553 173.7405 78 A 4.7058 8.1296 123.8327 51.4338 22.0660 178.7906 79 G 3.9043 9.2470 111.0114 46.9657 0.0000 175.7670 80 L 3.9264 8.8915 122.7741 58.1571 43.0042 176.3997 81 E 3.9148 8.5850 119.2779 59.2877 29.4929 178.3150 82 D 4.3548 8.1492 118.4593 57.6915 40.9346 178.9983 83 L 3.7076 8.3651 119.4563 57.6599 41.6176 179.3502 84 Q 4.2188 8.4167 119.8794 59.2551 28.7783 178.4762 85 V 3.6096 8.0940 118.6454 65.7746 31.7088 177.3850 86 A 3.9361 8.2617 120.8928 55.2071 18.1508 179.2095 87 F 4.1420 7.9929 115.8181 61.0075 38.9785 178.0435 88 R 4.1765 8.0031 115.8592 58.6693 29.7826 178.0737 89 A 3.7075 7.9405 120.1054 54.5585 19.1294 178.9309 90 F 4.9454 7.6339 113.5801 56.7227 39.7773 175.3652 91 D 4.8760 7.8948 118.9740 52.7189 40.2879 175.4070 92 Q 4.0627 7.1006 117.4736 56.6678 29.0897 176.2347 93 D 4.0733 7.6319 116.0000 54.8706 44.1166 175.3467 94 G 3.6921 6.8706 107.7824 47.1779 0.0000 173.2900 95 D 4.4347 8.8842 123.8274 54.9768 40.7315 173.8631 96 G 4.2156 7.3559 106.1559 45.7605 0.0000 172.9229 97 H 5.7361 9.3861 118.9465 54.0445 32.4618 173.7088 98 I 4.6625 8.4916 115.3897 60.0230 40.2426 175.3902 99 T 4.4938 8.3292 119.5551 61.7673 69.0354 175.8793 100 V 3.7598 7.9575 128.8793 64.8837 31.1175 178.0340 101 D 4.1748 8.0333 117.9245 57.2382 41.3293 177.5477 102 E 3.1506 7.9323 118.7285 59.2609 29.3836 178.8938 103 L 3.8601 8.2053 120.4456 58.5294 41.8155 179.0173 104 R 3.8474 7.4043 116.3889 59.4110 30.2314 178.0530 105 R 4.0051 8.0015 118.1580 59.3920 30.0396 178.1681 106 A 4.1331 8.6424 120.8997 55.7358 18.4165 179.4012 107 M 3.9599 8.0732 116.5520 58.3172 31.6953 178.7479 108 A 4.1363 7.9640 120.6376 55.0667 18.5560 179.5626 109 G 3.6756 8.2234 103.8629 47.9280 0.0000 175.4024 110 L 4.2828 7.7916 121.0453 54.7574 41.8913 177.1734 111 G 4.1730 7.2173 115.0271 45.9462 0.0000 173.4469 112 Q 4.4368 7.8375 120.1129 53.1240 27.6879 171.9867 113 P 4.2142 0.0000 0.0000 64.3970 32.8076 177.1614 114 L 3.5659 8.4616 123.1387 55.6158 40.3798 174.9286 115 P 4.6153 0.0000 0.0000 61.5235 29.1680 176.2889 116 Q 4.0255 8.0940 124.9089 59.9985 29.1618 178.3495 117 E 3.9174 8.0461 118.7527 59.4282 29.6897 178.8111 118 E 3.9524 8.1011 118.8501 59.1302 29.7359 178.2681 119 L 3.9265 8.5047 120.6606 58.2652 42.3047 178.2738 120 D 4.4012 8.6122 118.9402 57.5898 40.4016 178.9383 121 A 3.9962 8.4943 121.0648 55.9107 18.3727 179.7847 122 M 4.1102 8.0484 117.9453 57.7681 31.7463 178.9816 123 I 3.7736 8.0348 120.0285 64.5601 37.3713 177.9684 124 R 4.0284 7.6390 117.7128 59.5027 30.2133 178.1725 125 E 4.0387 7.7279 117.8778 58.5241 29.6947 177.4894 126 A 4.3287 8.3692 122.8517 52.2896 17.7499 177.6090 127 D 4.8005 7.6027 117.2610 53.5701 40.5235 177.7598 128 V 3.6938 8.2687 120.6237 67.1363 31.0384 176.4110 129 D 4.4754 7.2977 117.8115 53.7922 40.6831 176.1674 130 Q 5.6918 7.5652 130.2338 56.8207 31.2646 173.7658 131 D 4.4010 8.0300 122.7322 54.9080 47.3800 175.6279 132 G 4.2326 8.2065 101.7386 45.6429 0.0000 173.2322 133 R 4.9050 8.1071 119.8373 54.5894 32.3346 175.8999 134 V 4.6132 8.3299 122.2415 60.7436 35.6225 174.0180 135 N 4.6618 8.8575 124.6268 54.0069 38.8322 174.5319 136 Y 3.6049 8.9584 127.0426 61.1260 38.8449 177.7325 137 E 3.6471 8.5036 119.0748 58.9215 30.5763 177.6636 138 E 3.8089 8.3394 118.6905 59.4632 29.3591 178.3938 139 F 3.5684 8.3981 120.6583 61.4862 39.3744 177.0479 140 A 4.3024 8.3911 120.3523 55.5355 17.8992 179.4745 141 R 3.8548 7.7085 115.7602 59.8397 30.1531 178.2946 142 M 4.1079 7.6848 117.0037 57.6275 32.2716 177.6828 143 L 4.0896 7.8438 119.9833 57.4675 43.6568 178.1411 144 A 4.5317 7.6019 122.7002 50.7690 17.4791 178.0520 145 Q 4.3252 7.7002 121.9578 55.4982 28.7554 177.3450 146 E 4.2488 8.0528 122.6015 57.6352 29.8241 176.3545 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 76 A 8.26 4.36 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 77 R 7.58 4.20 0.00 1.83 1.77 0.00 3.14 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 78 A 8.13 4.71 1.29 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 79 G 9.25 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 0.00 0.00 0.00 80 L 8.89 3.93 0.00 1.80 1.69 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.59 3.91 0.00 2.10 1.98 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 2.31 2.36 0.00 82 D 8.15 4.35 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.71 0.00 1.86 1.68 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.42 4.22 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 85 V 8.09 3.61 2.29 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 0.83 0.00 0.00 0.97 0.00 0.00 86 A 8.26 3.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.14 0.00 3.19 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 88 R 8.00 4.18 0.00 2.00 2.15 0.00 3.54 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 89 A 7.94 3.71 0.64 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 90 F 7.63 4.95 0.00 3.16 3.10 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 91 D 7.89 4.88 0.00 2.42 2.96 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 92 Q 7.10 4.06 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.18 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 93 D 7.63 4.07 0.00 2.45 2.46 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 94 G 6.87 3.69 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 0.00 0.00 0.00 95 D 8.88 4.43 0.00 2.75 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 96 G 7.36 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 0.00 0.00 0.00 0.00 97 H 9.39 5.74 0.00 3.31 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.49 4.66 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.07 0.00 0.00 99 T 8.33 4.49 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 1.28 0.00 0.00 100 V 7.96 3.76 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 0.91 0.00 0.00 1.07 0.00 0.00 101 D 8.03 4.17 0.00 2.78 2.61 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 0.00 102 E 7.93 3.15 0.00 2.08 1.70 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 1.91 1.47 0.00 103 L 8.21 3.86 0.00 1.88 1.71 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.40 3.85 0.00 1.79 2.02 0.00 3.31 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 1.64 0.00 105 R 8.00 4.01 0.00 1.73 1.94 0.00 3.45 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 106 A 8.64 4.13 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.07 3.96 0.00 2.02 2.28 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 2.56 2.68 0.00 108 A 7.96 4.14 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 0.00 109 G 8.22 3.68 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 0.00 0.00 0.00 110 L 7.79 4.28 0.00 1.80 1.65 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.22 4.17 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 0.00 112 Q 7.84 4.44 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.33 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 113 P 0.00 4.21 0.00 2.20 2.10 0.00 3.91 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 114 L 8.46 3.57 0.00 1.71 1.67 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.62 0.00 2.30 2.37 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 116 Q 8.09 4.03 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.37 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 117 E 8.05 3.92 0.00 2.01 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 2.40 2.36 0.00 118 E 8.10 3.95 0.00 2.00 1.95 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 2.39 2.42 0.00 119 L 8.50 3.93 0.00 1.82 1.66 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.61 4.40 0.00 2.89 2.75 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 0.00 0.00 0.00 0.00 121 A 8.49 4.00 1.41 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 0.00 0.00 122 M 8.05 4.11 0.00 2.49 2.51 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 2.89 2.81 0.00 123 I 8.03 3.77 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.94 0.00 0.00 124 R 7.64 4.03 0.00 1.82 2.05 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 E 7.73 4.04 0.00 1.82 1.78 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 2.26 2.42 0.00 126 A 8.37 4.33 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.60 4.80 0.00 2.75 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 0.00 128 V 8.27 3.69 2.31 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 0.79 0.00 0.00 0.92 0.00 0.00 129 D 7.30 4.48 0.00 2.75 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 0.00 130 Q 7.57 5.69 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 131 D 8.03 4.40 0.00 2.58 2.41 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 0.00 132 G 8.21 4.23 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 0.00 133 R 8.11 4.90 0.00 1.89 1.86 0.00 3.21 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 134 V 8.33 4.61 2.35 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 1.12 0.00 0.00 1.16 0.00 0.00 135 N 8.86 4.66 0.00 2.87 2.72 0.00 0.00 7.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.96 3.60 0.00 2.87 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 0.00 137 E 8.50 3.65 0.00 2.13 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 2.42 2.28 0.00 138 E 8.34 3.81 0.00 2.04 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 0.00 2.34 2.37 0.00 139 F 8.40 3.57 0.00 2.95 2.64 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 0.00 140 A 8.39 4.30 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 0.00 141 R 7.71 3.85 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 142 M 7.68 4.11 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 143 L 7.84 4.09 0.00 1.93 2.12 1.01 1.23 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 0.00 144 A 7.60 4.53 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 0.00 145 Q 7.70 4.33 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 146 E 8.05 4.25 0.00 1.96 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 2.22 2.27 0.00