NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.5177 8.3049 120.3321 55.0152 33.4535 174.7998 102 K 4.1722 8.4875 121.4494 55.2538 33.4548 175.4282 103 K 4.6397 9.1126 122.9220 56.5711 34.6148 175.1763 104 Y 4.9958 9.0576 120.0600 56.4088 41.9862 174.4172 105 T 5.1370 9.2409 117.2138 60.2871 70.9462 172.4279 106 C 3.8883 8.8979 129.9940 59.1363 32.0310 174.1802 107 T 3.9791 8.6856 117.2357 63.7884 68.5097 176.1084 108 V 3.8517 7.7610 121.9397 64.8743 31.9100 175.9946 109 C 4.6722 7.8528 109.5939 57.0252 30.7120 174.6500 110 G 3.9076 8.3781 108.9536 45.0827 0.0000 173.1210 111 Y 4.2322 7.8721 121.3826 58.3328 39.8803 174.7770 112 I 4.7624 7.6737 126.7480 59.7322 39.1082 174.4037 113 Y 4.2881 9.6429 129.9646 57.0071 40.1548 173.4415 114 N 4.7205 7.8450 125.8578 51.1251 40.4378 173.4847 115 P 4.2337 0.0000 0.0000 65.3808 31.9058 178.5317 116 E 3.8825 8.0769 118.1945 58.8260 29.7295 177.1612 117 D 4.4679 7.9479 116.8476 53.9016 42.1373 178.0549 118 G 4.0295 7.7348 107.2970 45.3824 0.0000 173.3273 119 D 4.9585 8.5568 111.4129 52.0829 41.8101 175.0000 120 P 4.4251 0.0000 0.0000 65.4425 32.0192 178.4737 121 D 4.6133 8.1901 115.6940 56.0246 40.9748 176.4319 122 N 4.9151 8.2590 115.4932 52.9197 39.1642 174.9859 123 G 3.7904 8.3010 105.2635 45.7973 0.0000 174.0872 124 V 4.1029 7.7087 120.2441 60.5613 31.5115 175.3058 125 N 4.8195 8.3844 124.9747 51.9443 39.2772 173.0413 126 P 4.1566 0.0000 0.0000 64.8406 31.7042 177.0237 127 G 3.9324 9.0602 110.8094 45.4824 0.0000 173.0844 128 T 4.3371 7.2608 109.3125 59.8821 70.2192 174.4911 129 D 4.5459 8.4702 125.1023 53.8285 42.3175 176.3836 130 F 3.4623 9.1261 127.9117 61.0073 39.2975 177.3948 131 K 3.8920 7.8017 117.9279 59.0736 32.3497 177.1989 132 D 4.5258 7.5064 117.6859 54.1345 41.4100 176.8486 133 I 3.3789 6.7697 121.7038 60.0367 37.5030 174.1988 134 P 4.1714 0.0000 0.0000 63.3043 31.2241 176.7943 135 D 4.4590 8.6249 120.7338 55.9682 40.8159 176.4313 136 D 4.6797 7.8072 117.6970 52.7401 40.1866 176.5345 137 W 4.2198 8.1470 130.8993 57.5669 31.2148 175.3236 138 V 4.2119 6.8738 116.4476 58.6552 35.0116 175.0348 139 C 3.5455 8.5807 122.3654 59.1554 31.5066 173.0840 140 P 4.1959 0.0000 0.0000 64.5055 31.4723 177.1392 141 L 4.2996 7.6382 118.5518 56.4256 42.3361 177.0296 142 C 4.4866 7.9155 108.9998 57.2902 30.6908 174.6014 143 G 3.7935 8.2360 108.8905 45.4105 0.0000 174.0154 144 G 3.6774 7.6548 109.3159 44.7462 0.0000 174.3464 145 G 4.1437 8.4552 112.1179 44.5583 0.0000 174.4458 146 K 4.3572 8.7625 117.9480 59.3041 32.0483 179.3168 147 D 4.6219 8.2818 117.1178 55.7889 39.5029 176.8918 148 Q 4.3688 8.6605 118.2359 56.3731 29.1710 174.9787 149 F 5.2618 8.2913 117.2980 56.1572 41.0161 175.0094 150 E 4.9135 9.3349 122.4905 54.0890 33.0562 174.5335 151 E 3.6499 8.7546 125.2165 56.0619 30.3868 176.3049 152 V 4.1905 7.9449 123.5184 60.4326 33.1979 176.0190 153 E 4.1655 8.3380 122.2303 56.7384 30.5039 175.0877 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 101 M 8.30 4.52 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 102 K 8.49 4.17 0.00 1.88 1.57 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.42 1.58 7.81 103 K 9.11 4.64 0.00 1.66 1.71 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.44 7.81 104 Y 9.06 5.00 0.00 2.63 2.65 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 0.00 105 T 9.24 5.14 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 106 C 8.90 3.89 0.00 2.12 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 0.00 107 T 8.69 3.98 4.21 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 1.29 0.00 0.00 108 V 7.76 3.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 109 C 7.85 4.67 0.00 3.08 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 0.00 110 G 8.38 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 7.87 4.23 0.00 3.18 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 0.00 112 I 7.67 4.76 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.84 0.00 0.00 113 Y 9.64 4.29 0.00 3.48 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 0.00 114 N 7.85 4.72 0.00 2.64 2.43 0.00 0.00 7.18 7.71 0.00 0.00 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 P 0.00 4.23 0.00 2.24 2.34 0.00 3.58 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 2.26 2.32 0.00 116 E 8.08 3.88 0.00 1.88 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 2.26 2.31 0.00 117 D 7.95 4.47 0.00 2.60 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 0.00 118 G 7.73 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 0.00 0.00 0.00 119 D 8.56 4.96 0.00 3.19 2.81 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 0.00 120 P 0.00 4.43 0.00 2.26 2.12 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 121 D 8.19 4.61 0.00 2.73 2.76 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 0.00 122 N 8.26 4.92 0.00 3.09 2.94 0.00 0.00 7.03 7.65 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 0.00 123 G 8.30 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 0.00 0.00 0.00 124 V 7.71 4.10 2.26 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 0.89 0.00 0.00 0.53 0.00 0.00 125 N 8.38 4.82 0.00 2.86 2.72 0.00 0.00 7.04 8.03 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 0.00 126 P 0.00 4.16 0.00 2.03 2.16 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 127 G 9.06 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.26 4.34 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 1.24 0.00 0.00 129 D 8.47 4.55 0.00 2.75 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 0.00 130 F 9.13 3.46 0.00 2.76 2.43 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 0.00 0.00 0.00 0.00 131 K 7.80 3.89 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.37 7.81 132 D 7.51 4.53 0.00 2.73 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 0.00 133 I 6.77 3.38 1.00 0.00 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.07 -0.03 0.00 0.00 134 P 0.00 4.17 0.00 2.38 2.14 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 135 D 8.62 4.46 0.00 2.65 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 0.00 136 D 7.81 4.68 0.00 2.77 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 0.00 137 W 8.15 4.22 0.00 3.10 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 0.00 138 V 6.87 4.21 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 0.68 0.00 0.00 0.65 0.00 0.00 139 C 8.58 3.55 0.00 3.08 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 0.00 140 P 0.00 4.20 0.00 2.06 2.00 0.00 2.82 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.70 0.00 141 L 7.64 4.30 0.00 1.62 1.74 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.92 4.49 0.00 3.00 2.97 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 0.00 143 G 8.24 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 0.00 0.00 0.00 144 G 7.65 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 0.00 145 G 8.46 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.76 4.36 0.00 1.85 1.87 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.51 7.81 147 D 8.28 4.62 0.00 2.85 2.90 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 0.00 148 Q 8.66 4.37 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 149 F 8.29 5.26 0.00 3.29 2.98 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 0.00 150 E 9.33 4.91 0.00 2.01 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 2.17 2.24 0.00 151 E 8.75 3.65 0.00 1.48 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 152 V 7.94 4.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.88 0.00 0.00 153 E 8.34 4.17 0.00 1.85 1.76 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 2.13 2.18 0.00