NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 S 4.5062 8.3344 116.7449 58.7039 64.3820 172.3431 101 M 4.5075 8.6012 124.9821 52.6390 35.0909 172.4727 102 L 5.1280 8.3960 128.0946 53.6855 43.8758 174.8633 103 I 4.6457 8.4464 119.6504 59.0671 41.1469 174.4239 104 K 5.2500 8.7838 122.0152 54.6209 35.3688 175.7858 105 V 4.8310 8.6885 122.2645 59.9608 35.2200 174.2785 106 K 4.9740 8.9892 123.1794 55.0985 34.1942 176.5168 107 T 4.2809 9.2294 122.2853 62.7878 69.8575 175.2408 108 L 4.3443 8.3929 122.8125 55.9166 41.4266 177.3572 109 T 4.5232 7.9246 103.8685 60.1795 69.9718 173.7901 110 G 4.0051 8.7317 111.0895 45.2430 0.0000 174.1531 111 K 3.8311 7.6464 121.0558 57.1916 33.0815 175.0607 112 E 5.1473 8.8370 128.7477 54.5708 31.0205 174.7525 113 I 4.6565 8.6332 120.3607 59.1336 40.9060 174.2410 114 E 4.9317 8.6656 123.2552 55.5708 30.9698 175.6193 115 I 4.6846 8.8881 123.6462 59.6603 42.0224 174.2148 116 D 4.9253 8.6797 124.9661 53.2559 41.9078 176.0638 117 I 4.7665 8.6353 124.6359 59.3168 41.6363 174.2947 118 E 4.8895 9.9966 125.5787 54.0340 31.3287 175.8900 119 P 4.3163 0.0000 0.0000 65.2492 31.7498 177.0604 120 T 4.3618 7.6253 110.2853 61.7285 68.2753 173.6185 121 D 4.5376 8.5955 122.8717 53.9656 41.5646 176.3922 122 K 4.1156 8.6557 123.6809 56.6573 33.1522 178.0029 123 V 3.6016 8.3827 119.3236 66.0984 31.1154 177.6777 124 E 3.9179 7.7434 118.2861 59.1511 29.4253 178.4098 125 R 4.1976 7.7732 118.0150 58.5593 30.5369 177.9340 126 I 3.6523 7.4843 119.2358 64.7364 37.1764 178.3225 127 K 4.2056 7.9873 119.6266 59.0021 31.7480 179.0116 128 E 4.0723 8.4065 118.9623 59.1429 29.3632 179.4879 129 R 3.9061 7.7783 117.9942 59.0484 30.0893 179.0646 130 V 3.5748 7.8771 118.1846 65.9740 31.4946 177.7903 131 E 3.7562 8.2526 119.1511 58.9171 29.1834 178.1433 132 E 3.8944 8.1492 119.0732 59.4449 29.7581 178.7556 133 K 4.1455 7.6848 116.1291 58.6224 32.4878 178.1565 134 E 4.4675 8.9084 117.8492 55.3574 30.2755 176.6068 135 G 3.7984 8.0457 106.2865 46.1058 0.0000 173.0597 136 I 4.1610 7.4985 120.3032 58.6794 37.7473 174.0914 137 P 4.4058 0.0000 0.0000 62.3719 31.9075 175.7108 138 P 4.2717 0.0000 0.0000 65.6811 31.3950 177.8988 139 Q 4.3367 8.0425 112.8098 57.1553 28.3278 176.1853 140 Q 4.5023 8.0307 113.9943 55.8110 29.9881 174.7314 141 Q 4.2186 8.0463 118.8935 55.6569 29.5935 174.9434 142 R 4.6896 8.3166 121.4959 54.3671 32.1921 174.6410 143 L 4.8448 8.1886 123.9162 54.1845 43.8753 176.0329 144 I 5.0763 8.5193 121.9302 59.9561 41.7578 173.6796 145 Y 4.8552 8.4314 126.9036 56.6645 42.1781 175.1657 146 S 3.6551 9.4485 120.6595 59.3226 60.6419 173.6119 147 G 3.9611 8.3333 108.0662 45.3099 0.0000 174.3162 148 K 4.2594 8.0652 120.8547 55.3724 32.9666 175.9196 149 Q 4.2574 8.5265 122.4490 55.2969 29.0070 174.8180 150 M 2.8024 7.9647 125.0816 55.1336 32.8492 176.3325 151 N 4.4741 10.0824 125.5243 53.0012 40.0901 175.6262 152 D 4.8641 8.8488 124.0017 53.9457 39.0499 177.1937 153 E 4.4354 8.4544 122.3793 57.5363 32.0393 177.1319 154 K 4.4069 7.3900 120.5374 56.1874 33.4855 175.4628 155 T 4.9131 7.9984 113.3238 60.8064 70.9831 175.3954 156 A 4.0069 8.3936 128.4957 55.5574 18.7199 180.2960 157 A 4.0413 7.9038 118.0406 55.3112 18.7868 179.3770 158 D 4.2174 8.2887 115.6245 57.8548 40.8334 177.2330 159 Y 4.4344 7.9159 113.1227 57.1290 38.1046 175.4348 160 K 3.9082 7.8192 118.0983 57.4496 30.2076 175.6328 161 I 3.7602 7.5701 118.1143 60.6786 38.1917 176.0513 162 L 4.8409 8.1756 124.0601 52.6535 44.7374 175.8468 163 G 3.8154 8.4164 106.0282 49.3390 0.0000 174.9547 164 G 3.9335 7.6052 114.0765 42.9527 0.0000 170.9564 165 S 4.8646 7.9830 119.0623 56.9177 66.6318 172.6590 166 V 4.7564 8.6935 124.6396 61.2987 32.9392 174.7313 167 L 5.0945 8.7738 127.4673 53.3498 45.2457 175.0275 168 H 5.2188 8.6826 117.5464 54.0156 32.5330 172.7538 169 L 4.9159 8.4228 122.9640 54.2616 42.4067 176.4935 170 V 4.6328 8.0370 124.3286 60.8121 34.4802 173.9587 171 L 4.3106 7.8699 119.7326 55.1023 44.4153 173.1743 172 R 4.7564 8.3104 120.4588 54.4302 33.3108 173.9004 173 L 4.9113 8.1328 120.2722 53.2026 45.5771 176.8229 174 R 4.2307 8.6457 119.8915 58.1820 31.0748 177.5675 175 G 3.9551 7.9497 104.2978 46.1462 0.0000 173.3032 176 G 3.5615 8.6029 107.3205 45.9745 0.0000 172.4846 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 S 8.33 4.51 0.00 3.77 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 0.00 101 M 8.60 4.51 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 102 L 8.40 5.13 0.00 1.68 1.55 0.92 1.02 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 0.00 103 I 8.45 4.65 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.99 0.94 0.00 0.00 104 K 8.78 5.25 0.00 1.69 1.70 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81 105 V 8.69 4.83 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 0.76 0.00 0.00 0.95 0.00 0.00 106 K 8.99 4.97 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.40 7.81 107 T 9.23 4.28 4.36 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 1.23 0.00 0.00 108 L 8.39 4.34 0.00 1.59 1.65 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.92 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 110 G 8.73 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.65 3.83 0.00 1.87 1.73 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 112 E 8.84 5.15 0.00 2.01 1.83 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 2.21 2.28 0.00 113 I 8.63 4.66 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 1.39 0.59 0.95 0.00 0.00 114 E 8.67 4.93 0.00 1.86 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 2.25 2.32 0.00 115 I 8.89 4.68 1.85 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 1.21 0.54 0.88 0.00 0.00 116 D 8.68 4.93 0.00 2.54 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 0.00 117 I 8.64 4.77 1.84 0.00 0.00 0.84 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 1.12 0.87 0.00 0.00 118 E 10.00 4.89 0.00 1.95 2.03 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 2.79 2.25 0.00 119 P 0.00 4.32 0.00 2.19 2.15 0.00 3.55 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 2.11 2.11 0.00 120 T 7.63 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 121 D 8.60 4.54 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.12 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.46 7.81 123 V 8.38 3.60 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 1.00 0.00 0.00 1.15 0.00 0.00 124 E 7.74 3.92 0.00 2.35 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 0.00 2.34 2.36 0.00 125 R 7.77 4.20 0.00 1.95 2.06 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 126 I 7.48 3.65 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.87 0.00 0.00 127 K 7.99 4.21 0.00 1.78 1.86 0.00 1.93 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.52 7.81 128 E 8.41 4.07 0.00 2.19 1.99 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 2.32 2.34 0.00 129 R 7.78 3.91 0.00 1.97 1.96 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 130 V 7.88 3.57 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 131 E 8.25 3.76 0.00 2.31 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 2.30 2.31 0.00 132 E 8.15 3.89 0.00 2.26 2.16 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 2.32 2.36 0.00 133 K 7.68 4.15 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 134 E 8.91 4.47 0.00 1.87 1.99 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 2.24 2.34 0.00 135 G 8.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 4.16 1.87 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 0.62 0.91 0.00 0.00 137 P 0.00 4.41 0.00 2.31 2.00 0.00 3.61 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 138 P 0.00 4.27 0.00 2.17 2.11 0.00 3.59 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 139 Q 8.04 4.34 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 140 Q 8.03 4.50 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 141 Q 8.05 4.22 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 142 R 8.32 4.69 0.00 1.78 1.83 0.00 3.27 0.00 0.00 3.33 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 143 L 8.19 4.84 0.00 1.51 1.50 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.52 5.08 1.90 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 1.10 0.90 0.96 0.00 0.00 145 Y 8.43 4.86 0.00 2.94 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 0.00 146 S 9.45 3.66 0.00 3.93 3.77 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 0.00 147 G 8.33 3.96 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 0.00 0.00 0.00 148 K 8.07 4.26 0.00 1.97 1.92 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.61 7.81 149 Q 8.53 4.26 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 150 M 7.96 2.80 0.00 1.43 1.84 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.28 0.00 151 N 10.08 4.47 0.00 2.87 2.96 0.00 0.00 6.63 8.37 0.00 0.00 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 D 8.85 4.86 0.00 2.95 2.87 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 0.00 0.00 0.00 153 E 8.45 4.44 0.00 1.92 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 2.23 2.30 0.00 154 K 7.39 4.41 0.00 2.15 1.83 0.00 1.39 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 155 T 8.00 4.91 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 1.42 0.00 0.00 156 A 8.39 4.01 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 0.00 157 A 7.90 4.04 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 0.00 158 D 8.29 4.22 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.92 4.43 0.00 2.97 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.82 3.91 0.00 2.03 1.95 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 161 I 7.57 3.76 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.31 0.64 0.00 0.00 162 L 8.18 4.84 0.00 1.62 1.58 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.42 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 0.00 0.00 0.00 164 G 7.61 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 0.00 165 S 7.98 4.86 0.00 3.75 3.61 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 0.00 166 V 8.69 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 167 L 8.77 5.09 0.00 1.56 1.51 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.68 5.22 0.00 3.13 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.42 4.92 0.00 1.70 1.61 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.04 4.63 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 0.67 0.00 0.00 0.93 0.00 0.00 171 L 7.87 4.31 0.00 1.54 1.52 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.31 4.76 0.00 1.74 1.72 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 173 L 8.13 4.91 0.00 1.59 1.50 0.92 0.89 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 0.00 174 R 8.65 4.23 0.00 1.79 1.97 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 175 G 7.95 3.96 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 0.00 0.00 0.00 176 G 8.60 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00