NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 K 4.2766 8.3144 120.1352 56.1401 32.3463 174.6017 101 K 4.0202 8.2015 124.3708 55.6378 33.3716 175.6380 102 R 4.2276 8.4299 124.0533 59.1525 31.1140 177.6179 103 K 3.8876 7.7068 115.0964 57.7019 30.4687 173.6699 104 R 4.1091 7.4160 120.9967 55.5663 31.2346 176.9612 105 R 4.2001 8.1875 120.3946 56.5383 30.8639 176.1992 106 V 4.5014 7.8838 112.9029 59.7339 35.3573 174.7918 107 L 4.5860 8.4275 122.9846 52.8645 44.9840 175.4743 108 F 5.2968 8.0284 118.1837 55.7112 41.6892 176.6368 109 T 4.1582 8.1794 113.3735 61.6624 70.6256 175.5209 110 K 4.0725 8.6610 121.9855 59.3555 31.9702 178.8890 111 A 4.1667 7.9592 120.2512 54.9520 18.8029 179.0887 112 Q 4.0301 7.8434 116.7373 59.6585 28.8298 178.9626 113 T 3.7322 8.0569 116.5416 67.1411 68.5278 175.9239 114 Y 4.2495 7.9361 120.9902 60.7137 38.8396 177.7372 115 E 3.6910 8.0630 119.2728 58.8399 29.5435 179.2020 116 L 3.9047 7.2941 118.8224 57.4932 41.6645 178.9830 117 E 4.1283 8.0653 118.8177 59.4528 29.1410 179.2680 118 R 3.8636 7.5122 118.1507 59.2849 29.9369 179.2120 119 R 4.0808 8.1844 118.1493 58.8458 30.3016 178.4928 120 F 5.0110 8.2990 121.9645 60.0867 39.3698 177.6610 121 R 4.2114 8.3512 116.5867 58.4170 29.8980 177.9192 122 Q 4.4706 7.6109 116.2868 55.7065 30.2527 175.6907 123 Q 4.3865 7.1653 119.3510 55.1752 32.4802 174.5604 124 R 3.0679 8.4318 124.9788 57.3369 30.6417 175.5314 125 Y 4.7370 7.8252 114.0588 56.3692 41.2025 174.4330 126 L 4.6338 8.5291 124.5234 52.9759 43.9943 177.1586 127 S 4.5522 8.1584 116.7954 57.2967 65.7267 175.3346 128 A 4.0015 8.3386 122.7326 54.6651 17.7582 178.0213 129 P 4.1919 0.0000 0.0000 65.2515 32.0083 177.8370 130 E 4.0711 8.1268 118.0074 59.5253 29.4494 179.1180 131 R 3.8505 7.8892 115.8602 58.8763 29.6481 177.5658 132 E 4.3110 7.9159 117.0017 57.1145 29.5797 177.6312 133 H 4.4015 7.8743 119.6396 58.5488 30.1087 176.8049 134 L 3.8965 7.7696 121.5373 57.8911 41.9048 178.6134 135 A 3.8828 7.7173 121.0875 54.9379 18.1542 178.9485 136 S 4.3348 7.6034 108.5039 59.5738 62.6675 175.8645 137 L 4.1520 7.5935 121.4196 58.1001 41.6858 178.5152 138 I 3.9843 7.2577 110.6727 61.1910 37.9693 176.3855 139 R 3.9040 7.5983 119.2008 56.6661 28.8384 175.5912 140 L 4.3108 7.4706 115.8866 53.2037 43.0955 175.8653 141 T 4.4018 7.8433 110.2340 60.0560 70.7068 174.4762 142 P 4.2086 0.0000 0.0000 66.0495 31.2154 179.1205 143 T 4.0994 7.8575 113.3348 65.9751 67.8444 176.5269 144 Q 4.1880 7.8113 120.8433 58.6800 28.6930 178.2938 145 V 3.6902 7.7844 119.2258 65.5809 31.8276 177.5798 146 K 3.9805 8.1080 119.1445 60.0094 32.0620 178.6237 147 I 3.8903 7.8467 119.9196 64.1770 37.2017 178.2226 148 W 4.2843 8.3623 128.0964 60.1540 30.2269 178.2083 149 F 4.0849 8.6119 117.7448 60.7920 37.9825 177.3343 150 Q 4.1295 8.2472 117.5663 59.3003 28.5123 179.1981 151 N 4.2470 8.1049 117.1360 56.6660 38.6545 177.0826 152 H 3.8158 7.3184 118.9316 58.4424 29.0997 177.4782 153 R 3.9540 7.4824 118.4115 59.3912 29.3804 178.2341 154 Y 4.1360 7.6827 119.2792 60.2065 38.5439 177.8131 155 K 3.7835 7.5553 118.2320 58.8889 31.9008 178.7889 156 T 3.9222 7.4914 113.5773 64.5612 67.1774 176.8316 157 K 3.9606 7.5041 119.4625 59.2966 31.6986 179.3600 158 R 3.7312 7.4615 117.9284 58.7313 29.5557 178.3656 159 A 3.9372 7.1402 119.1183 54.9338 18.4074 179.0032 160 Q 4.1235 7.5971 115.2505 58.0779 29.0761 177.6236 161 N 4.4134 8.0042 117.0802 56.0159 39.1007 174.5143 162 E 4.1957 7.5155 124.0716 56.4237 29.8894 175.9684 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 100 K 8.31 4.28 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 101 K 8.20 4.02 0.00 1.79 1.71 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.60 7.81 102 R 8.43 4.23 0.00 1.84 1.90 0.00 3.51 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 103 K 7.71 3.89 0.00 1.80 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.46 7.81 104 R 7.42 4.11 0.00 1.86 1.86 0.00 3.27 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 105 R 8.19 4.20 0.00 1.75 1.83 0.00 3.16 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 106 V 7.88 4.50 2.21 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 0.94 0.00 0.00 1.01 0.00 0.00 107 L 8.43 4.59 0.00 1.58 1.50 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.03 5.30 0.00 3.03 2.92 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 0.00 109 T 8.18 4.16 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 1.26 0.00 0.00 110 K 8.66 4.07 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.56 7.81 111 A 7.96 4.17 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 0.00 112 Q 7.84 4.03 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 113 T 8.06 3.73 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 114 Y 7.94 4.25 0.00 3.15 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 0.00 115 E 8.06 3.69 0.00 2.00 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 2.33 2.40 0.00 116 L 7.29 3.90 0.00 0.27 0.42 0.61 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.07 4.13 0.00 2.23 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 2.63 2.66 0.00 118 R 7.51 3.86 0.00 1.93 1.72 0.00 3.05 0.00 0.00 2.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.30 0.00 119 R 8.18 4.08 0.00 2.18 2.22 0.00 3.27 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 120 F 8.30 5.01 0.00 2.76 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 0.00 121 R 8.35 4.21 0.00 1.93 2.07 0.00 3.57 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 122 Q 7.61 4.47 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 123 Q 7.17 4.39 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 124 R 8.43 3.07 0.00 1.57 1.80 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.37 0.00 125 Y 7.83 4.74 0.00 2.97 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 0.00 126 L 8.53 4.63 0.00 1.25 1.36 0.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.16 4.55 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 4.00 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 0.00 129 P 0.00 4.19 0.00 2.02 2.08 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 130 E 8.13 4.07 0.00 1.99 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 2.34 2.35 0.00 131 R 7.89 3.85 0.00 1.87 1.91 0.00 2.74 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 132 E 7.92 4.31 0.00 1.96 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 2.29 2.44 0.00 133 H 7.87 4.40 0.00 3.41 3.26 0.00 5.61 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 0.00 134 L 7.77 3.90 0.00 1.69 1.54 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.72 3.88 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 0.00 136 S 7.60 4.33 0.00 3.98 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 0.00 137 L 7.59 4.15 0.00 1.76 1.66 0.83 0.78 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 0.00 138 I 7.26 3.98 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 0.84 0.00 0.00 139 R 7.60 3.90 0.00 1.89 2.17 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 140 L 7.47 4.31 0.00 1.40 1.32 -0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.84 4.40 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 1.20 0.00 0.00 142 P 0.00 4.21 0.00 2.17 2.10 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 143 T 7.86 4.10 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 1.26 0.00 0.00 144 Q 7.81 4.19 0.00 1.92 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 145 V 7.78 3.69 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 0.95 0.00 0.00 0.84 0.00 0.00 146 K 8.11 3.98 0.00 1.89 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.71 7.81 147 I 7.85 3.89 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 1.02 0.00 0.00 148 W 8.36 4.28 0.00 3.73 3.48 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 0.00 149 F 8.61 4.08 0.00 3.50 3.43 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 0.00 150 Q 8.25 4.13 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 151 N 8.10 4.25 0.00 2.49 2.53 0.00 0.00 6.64 8.19 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 0.00 152 H 7.32 3.82 0.00 1.97 1.31 0.00 5.78 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 0.00 153 R 7.48 3.95 0.00 2.12 2.39 0.00 2.87 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 154 Y 7.68 4.14 0.00 3.07 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 0.00 155 K 7.56 3.78 0.00 1.71 1.65 0.00 1.53 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.33 1.43 7.81 156 T 7.49 3.92 3.74 0.00 0.00 0.00 0.00 0.00 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 0.00 157 K 7.50 3.96 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.61 7.81 158 R 7.46 3.73 0.00 0.93 1.42 0.00 2.92 0.00 0.00 2.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 159 A 7.14 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.60 4.12 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 161 N 8.00 4.41 0.00 2.65 2.80 0.00 0.00 6.92 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 0.00 162 E 7.52 4.20 0.00 2.17 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 2.29 2.42 0.00