NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 102 H 4.8197 8.4449 117.8295 56.1905 30.9838 174.3562 103 M 4.0232 8.2410 117.5804 56.2326 31.9782 175.8507 104 K 4.0739 8.0492 116.8947 57.2829 34.2608 176.2431 105 E 4.7670 7.9823 119.3264 55.0560 30.5364 175.7702 106 E 4.0881 8.2453 117.9360 55.8140 30.4633 177.5386 107 S 4.0800 8.4671 117.6492 59.6729 63.3742 173.1598 108 E 3.7109 8.6914 122.1806 57.2146 26.0246 175.5054 109 K 4.1513 7.7935 117.1470 55.9691 33.9510 177.6442 110 P 4.7935 0.0000 0.0000 61.3658 30.6717 177.0820 111 R 4.1267 8.7669 118.1254 57.3052 31.4122 170.9256 112 G 4.0638 9.3628 118.4727 46.3018 0.0000 173.3834 113 F 3.5265 7.9006 124.0028 58.0893 38.3952 177.3523 114 A 4.2986 7.7264 126.1720 52.5175 17.4438 179.7470 115 R 4.0232 9.3372 116.5107 57.8407 30.0062 177.6939 116 G 4.5962 7.4854 120.4485 45.5568 0.0000 172.4344 117 L 4.0385 7.1328 120.0798 54.4578 42.4121 177.5269 118 E 4.3685 8.8242 123.1128 55.3559 30.9162 174.2629 119 P 4.1054 0.0000 0.0000 62.9264 31.4737 175.8829 120 E 4.2114 8.6649 126.8787 57.8450 30.4071 176.4568 121 R 4.4343 7.0642 111.2154 55.1523 32.0806 173.5578 122 I 3.5755 8.3688 124.4898 61.6780 37.1267 176.0323 123 I 3.7711 7.8584 128.1420 63.2467 37.4053 175.9237 124 G 4.2105 7.1303 109.7923 46.7008 0.0000 171.8820 125 A 5.2070 8.3949 122.2811 52.4300 22.1165 176.2320 126 T 4.5372 8.0281 114.5371 60.3258 71.0475 173.5656 127 D 4.7478 8.5924 129.3586 53.0077 37.2216 174.4355 128 S 4.1191 8.5809 119.5501 60.0417 63.2687 173.8898 129 S 4.1669 9.2773 129.0952 57.7297 60.8732 172.0855 130 G 4.6912 7.5003 108.9702 44.7830 0.0000 172.1642 131 E 4.7866 7.6289 117.7681 54.2185 33.3568 174.4069 132 L 4.3631 8.8975 123.7945 55.3271 43.1267 175.5865 133 M 5.2580 9.2684 123.9408 53.6815 34.7854 174.7751 134 F 4.9968 9.5209 123.5082 55.7014 40.9615 175.1775 135 L 4.7205 8.4095 126.6066 54.2776 41.6989 174.4793 136 M 4.0302 8.3329 125.1950 54.5184 32.8492 175.8243 137 K 4.0946 7.5601 125.5134 55.5033 33.9938 175.4620 138 W 5.1587 8.1669 124.9236 54.7218 31.8219 175.5677 139 K 4.4906 8.2997 125.8678 59.8408 32.4088 178.4279 140 N 4.3308 8.2417 115.9859 55.4815 38.7395 175.7349 141 S 4.2774 7.9718 112.2954 58.3385 62.7548 173.1328 142 D 4.9090 8.5373 128.9878 54.0510 41.2994 176.1082 143 E 4.5942 7.6996 118.6982 54.5747 32.8937 174.3469 144 A 4.3520 8.5838 129.2452 52.1479 19.0859 176.0910 145 D 5.0219 8.3226 121.2230 52.4543 44.8066 175.2873 146 L 4.4580 8.7283 123.3516 54.7351 42.8833 176.6315 147 V 4.6937 8.4623 122.1769 60.3868 35.3543 172.9138 148 P 4.6258 0.0000 0.0000 62.6644 32.0146 176.9590 149 A 3.7590 9.0652 122.9347 55.3700 17.7528 180.4268 150 K 3.8179 8.0120 116.3849 59.7119 32.1821 179.0069 151 E 3.6642 8.0776 118.7494 59.0122 29.5582 178.5193 152 A 3.7503 7.9344 120.9770 55.1358 18.1796 179.0852 153 N 4.0834 7.9950 114.2266 56.6397 38.6533 177.4721 154 V 3.8474 6.9672 112.0051 63.6699 32.0045 178.4418 155 K 4.0473 7.5996 117.6377 58.3614 33.4260 177.7817 156 C 4.9033 7.9047 110.8070 55.5333 31.5308 172.2574 157 P 4.2365 0.0000 0.0000 66.6850 31.1095 178.3573 158 Q 3.9685 8.1206 117.3145 59.1491 28.7260 179.0787 159 V 3.6844 7.8222 118.4093 65.8439 31.7332 178.0146 160 V 3.8277 7.6576 117.5670 66.3107 31.4295 178.1470 161 I 3.9115 8.4002 119.8847 64.3891 36.8730 178.3632 162 S 4.1736 8.3183 114.1390 61.1982 62.2202 175.7488 163 F 4.3683 8.5046 123.4266 61.9795 38.9082 176.8602 164 Y 3.6998 7.9043 113.4009 60.6527 37.6753 177.4625 165 E 4.0865 8.0110 119.6789 59.6477 29.7005 178.7945 166 E 4.0390 7.6730 116.3014 59.0640 30.3651 179.1727 167 R 4.0651 7.3795 116.9944 55.4652 29.8971 176.2837 168 L 4.6079 6.8471 118.7016 53.3854 45.3844 175.0500 169 T 4.0275 7.6048 117.6583 59.9218 70.3541 173.3368 170 W 4.6961 7.8191 128.7762 56.8957 29.7710 175.7727 171 H 4.5105 8.8681 122.5010 55.0155 30.2819 174.5504 172 S 4.1032 8.4524 116.9661 58.7271 62.3512 173.4539 173 Y 4.3627 8.7508 129.0232 57.1406 38.2460 172.9824 174 P 4.1010 0.0000 0.0000 60.4310 32.2395 175.7096 175 S 3.3257 7.3394 114.6512 57.8402 61.2915 172.0178 176 D 4.4253 7.9386 122.2172 54.5113 40.8945 175.3170 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 102 H 8.44 4.82 0.00 3.18 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.24 4.02 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 104 K 8.05 4.07 0.00 1.82 1.79 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.39 7.81 105 E 7.98 4.77 0.00 1.86 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 2.11 2.29 0.00 106 E 8.25 4.09 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 107 S 8.47 4.08 0.00 3.82 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 0.00 108 E 8.69 3.71 0.00 2.15 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 0.00 2.20 2.31 0.00 109 K 7.79 4.15 0.00 1.72 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 110 P 0.00 4.79 0.00 1.98 1.75 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 111 R 8.77 4.13 0.00 2.05 1.87 0.00 3.36 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 112 G 9.36 4.06 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 0.00 0.00 0.00 113 F 7.90 3.53 0.00 3.09 3.12 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 0.00 0.00 0.00 114 A 7.73 4.30 0.89 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 0.00 115 R 9.34 4.02 0.00 1.88 2.02 0.00 3.10 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 116 G 7.49 4.60 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 0.00 117 L 7.13 4.04 0.00 0.40 1.39 0.23 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.82 4.37 0.00 1.96 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 2.43 2.31 0.00 119 P 0.00 4.11 0.00 1.85 1.69 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 120 E 8.66 4.21 0.00 1.97 1.81 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 2.24 2.23 0.00 121 R 7.06 4.43 0.00 1.82 1.91 0.00 2.98 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 122 I 8.37 3.58 0.77 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.38 -0.08 0.00 0.00 123 I 7.86 3.77 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.86 0.00 0.00 124 G 7.13 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 0.00 0.00 0.00 0.00 125 A 8.39 5.21 0.57 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 0.00 0.00 126 T 8.03 4.54 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 1.22 0.00 0.00 127 D 8.59 4.75 0.00 2.73 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 0.00 128 S 8.58 4.12 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.28 4.17 0.00 4.10 4.04 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 0.00 0.00 0.00 130 G 7.50 4.69 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 0.00 131 E 7.63 4.79 0.00 2.01 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 0.00 2.37 2.34 0.00 132 L 8.90 4.36 0.00 1.93 1.84 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 133 M 9.27 5.26 0.00 2.00 2.01 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 2.71 2.56 0.00 134 F 9.52 5.00 0.00 2.92 2.91 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 0.00 135 L 8.41 4.72 0.00 1.73 1.47 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 136 M 8.33 4.03 0.00 0.65 1.78 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 137 K 7.56 4.09 0.00 1.42 1.57 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.31 7.81 138 W 8.17 5.16 0.00 3.28 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 0.00 139 K 8.30 4.49 0.00 1.94 2.14 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.42 7.81 140 N 8.24 4.33 0.00 2.71 2.84 0.00 0.00 6.84 7.56 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 0.00 141 S 7.97 4.28 0.00 3.70 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 0.00 142 D 8.54 4.91 0.00 2.72 2.69 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 0.00 143 E 7.70 4.59 0.00 1.99 1.82 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 2.28 2.29 0.00 144 A 8.58 4.35 1.25 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 0.00 0.00 0.00 145 D 8.32 5.02 0.00 3.08 2.69 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 0.00 146 L 8.73 4.46 0.00 1.59 1.66 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.46 4.69 2.28 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 1.16 0.00 0.00 1.28 0.00 0.00 148 P 0.00 4.63 0.00 2.27 2.34 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 149 A 9.07 3.76 1.53 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 0.00 0.00 150 K 8.01 3.82 0.00 1.84 1.85 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.55 7.81 151 E 8.08 3.66 0.00 1.98 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 2.17 2.26 0.00 152 A 7.93 3.75 1.02 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 0.00 0.00 153 N 8.00 4.08 0.00 2.75 2.84 0.00 0.00 6.99 7.25 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 0.00 154 V 6.97 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 0.64 0.00 0.00 0.91 0.00 0.00 155 K 7.60 4.05 0.00 1.14 0.90 0.00 1.30 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 0.46 7.81 156 C 7.90 4.90 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.24 0.00 2.27 2.43 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 158 Q 8.12 3.97 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 159 V 7.82 3.68 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 1.14 0.00 0.00 0.98 0.00 0.00 160 V 7.66 3.83 2.17 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 0.98 0.00 0.00 0.83 0.00 0.00 161 I 8.40 3.91 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.95 0.00 0.00 162 S 8.32 4.17 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.50 4.37 0.00 3.22 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.90 3.70 0.00 3.15 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 0.00 165 E 8.01 4.09 0.00 2.14 2.30 0.00 0.00 0.00 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 2.43 0.00 166 E 7.67 4.04 0.00 1.97 1.90 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 2.50 2.49 0.00 167 R 7.38 4.07 0.00 1.15 1.48 0.00 2.97 0.00 0.00 2.88 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.00 168 L 6.85 4.61 0.00 1.61 1.32 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.60 4.03 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 1.10 0.00 0.00 170 W 7.82 4.70 0.00 3.37 3.04 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 0.00 0.00 0.00 171 H 8.87 4.51 0.00 3.22 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.45 4.10 0.00 3.88 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 0.00 173 Y 8.75 4.36 0.00 2.87 2.91 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 0.00 174 P 0.00 4.10 0.00 2.05 1.91 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 175 S 7.34 3.33 0.00 2.90 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.94 4.43 0.00 2.59 2.48 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