NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 98 K 4.6385 8.2993 120.0971 56.7767 33.3512 174.3047 99 M 4.6236 9.1861 123.9430 52.4216 33.9590 174.0977 100 F 3.9361 9.2906 125.4126 57.1498 42.2393 175.8228 101 I 4.7528 7.0442 125.7364 59.6227 39.5903 174.2047 102 G 4.5192 10.1352 115.5779 44.1237 0.0000 171.5299 103 G 3.9432 9.2511 114.2140 45.7372 0.0000 173.8189 104 L 4.0389 7.8668 121.7304 54.6894 42.4795 176.8879 105 S 4.7190 8.6782 116.5783 56.7236 63.5381 175.1454 106 W 4.6610 8.4411 121.4774 58.9923 28.8286 177.0882 107 D 5.0017 8.1109 117.3292 54.1914 40.6601 176.6233 108 T 4.6522 7.8426 115.2446 63.1462 69.2896 174.2785 109 T 4.6948 8.9525 113.1879 58.7399 72.1693 174.9763 110 K 3.9551 8.7059 123.5847 59.1030 31.9308 178.8061 111 K 4.0855 7.9071 118.6174 59.4403 32.3114 178.2448 112 D 4.3918 8.0251 118.6863 56.6373 39.2269 178.5998 113 L 3.9911 7.9572 121.7715 57.6811 41.9902 178.4756 114 K 3.9582 7.7362 117.7730 59.9310 32.0779 178.1169 115 D 4.5107 8.5944 118.9795 57.7266 40.7161 177.9686 116 Y 4.0773 8.0584 119.1758 60.8269 39.0230 177.8753 117 F 5.3917 8.5843 117.2021 58.7445 39.2939 177.3069 118 S 4.5864 9.6273 112.4160 59.8269 62.1827 174.3918 119 K 4.0948 7.7931 119.1419 58.1140 32.4928 177.1946 120 F 4.3718 8.6585 117.3619 59.7190 39.5700 175.5609 121 G 3.9823 7.6775 104.9358 45.7683 0.0000 171.5641 122 E 4.3637 8.4212 120.3856 55.4482 29.5364 175.4607 123 V 4.4409 8.3233 124.7732 62.2322 31.9644 175.9847 124 V 4.0895 8.4377 127.4070 64.5487 32.2538 175.0714 125 D 4.8316 7.5070 118.3091 53.6592 45.5944 173.4950 126 C 5.0044 8.2655 117.0469 59.5640 34.4744 172.6517 127 T 4.7100 8.8760 120.2450 62.3308 73.5880 172.3776 128 L 4.5390 8.1678 124.1048 53.2705 44.5818 176.8596 129 K 3.9634 8.2913 130.5223 54.2973 30.5547 176.3692 130 L 5.1835 7.2659 126.6057 53.7075 43.7331 173.7663 131 D 4.8170 8.3995 121.3892 53.9383 40.8960 176.0501 132 P 4.7399 0.0000 0.0000 62.3325 32.3653 177.9576 133 I 3.9170 7.6426 119.5336 64.0686 38.2638 176.3924 134 T 4.2675 7.8528 113.1224 63.2326 68.3917 174.6771 135 G 3.7556 8.0557 108.8093 47.1348 0.0000 174.2609 136 R 4.7115 8.7122 116.9375 55.4818 31.5729 177.5406 137 S 4.6164 8.0830 115.8951 58.2716 62.1223 173.7187 138 R 4.6608 8.6278 129.6631 59.7095 30.8752 178.2248 139 G 4.2289 8.3035 103.4251 44.6061 0.0000 174.6110 140 F 4.8517 7.7765 113.8626 56.6859 42.2809 175.0538 141 G 4.5602 8.2699 112.1689 44.4034 0.0000 170.9126 142 F 4.7104 8.4578 116.6969 55.4174 43.4463 174.6479 143 V 4.3688 8.6308 120.1284 61.2168 34.9756 174.4651 144 L 4.8977 8.4686 127.2830 52.0204 42.4535 175.9835 145 F 4.4944 8.2977 121.8333 57.7871 39.5117 174.5934 146 K 4.4877 9.0810 121.0219 57.6858 33.0299 176.6172 147 E 4.8113 8.2947 116.2454 53.4387 32.8776 176.1998 148 S 4.0696 8.9642 117.4544 62.2207 62.9220 176.7846 149 E 4.5062 12.0000 122.2421 59.1132 29.2933 179.8765 150 S 3.9267 7.9227 113.4663 61.3551 62.8790 176.8221 151 V 2.7637 7.1804 121.4206 65.4692 31.4392 177.2846 152 D 4.3536 8.2933 119.3707 56.5670 38.3332 178.7181 153 K 3.9190 8.0044 120.8479 59.3738 32.1517 179.2781 154 V 3.3669 7.2049 117.5327 64.6371 31.0475 177.3034 155 M 4.1934 7.7447 118.4855 57.9038 32.2786 177.0956 156 D 4.7465 8.0598 118.9700 55.1619 40.4229 176.3497 157 Q 4.4716 7.7619 120.6320 53.9076 29.2165 174.2773 158 K 4.4935 8.4180 121.8834 56.9625 33.5031 178.7072 159 E 4.4445 7.8896 118.6483 56.4481 28.4356 176.0454 160 H 4.9156 7.8485 117.4292 55.6357 30.9233 175.8973 161 K 5.1305 8.3853 120.0592 56.3517 33.6361 174.8937 162 L 4.0933 7.1817 122.7912 54.6771 42.8985 177.6321 163 N 4.1920 9.4837 115.1236 54.0079 36.2652 175.4063 164 G 3.9787 9.4400 104.6824 45.4573 0.0000 173.5393 165 K 4.4778 7.8985 117.1864 54.5135 36.5950 176.0729 166 V 5.0504 8.2841 121.3856 61.9848 33.5382 174.2520 167 I 4.9521 7.9547 114.3438 59.5256 40.8611 175.1733 168 D 4.7781 12.0000 125.0760 52.4458 40.8289 172.2558 169 P 4.9047 0.0000 0.0000 62.6874 32.4166 175.9396 170 K 4.4410 8.9916 124.0444 54.9696 36.5662 175.8908 171 R 4.3374 9.1330 116.4358 62.9895 30.0283 176.3567 172 A 4.3683 7.0495 124.9706 51.5493 18.6058 177.3899 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 98 K 8.30 4.64 0.00 1.74 2.10 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.50 7.81 99 M 9.19 4.62 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 100 F 9.29 3.94 0.00 2.95 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 0.00 101 I 7.04 4.75 1.71 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.97 1.10 0.00 0.00 102 G 10.14 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 0.00 0.00 0.00 0.00 103 G 9.25 3.94 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 0.00 104 L 7.87 4.04 0.00 1.88 1.60 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.68 4.72 0.00 3.72 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 0.00 106 W 8.44 4.66 0.00 3.48 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 0.00 107 D 8.11 5.00 0.00 2.70 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 0.00 108 T 7.84 4.65 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 1.34 0.00 0.00 109 T 8.95 4.69 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 1.25 0.00 0.00 110 K 8.71 3.96 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.56 7.81 111 K 7.91 4.09 0.00 1.85 1.82 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.50 7.81 112 D 8.03 4.39 0.00 2.90 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 0.00 113 L 7.96 3.99 0.00 1.86 1.78 1.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.74 3.96 0.00 2.02 2.05 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 115 D 8.59 4.51 0.00 2.99 2.74 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 0.00 116 Y 8.06 4.08 0.00 2.88 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 0.00 117 F 8.58 5.39 0.00 3.58 3.05 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 0.00 0.00 0.00 118 S 9.63 4.59 0.00 4.17 3.95 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 0.00 119 K 7.79 4.09 0.00 1.41 0.98 0.00 1.52 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.96 1.21 7.81 120 F 8.66 4.37 0.00 3.52 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.68 3.98 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 0.00 0.00 0.00 122 E 8.42 4.36 0.00 2.11 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 2.42 2.34 0.00 123 V 8.32 4.44 2.10 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 0.72 0.00 0.00 0.52 0.00 0.00 124 V 8.44 4.09 2.10 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 0.90 0.00 0.00 0.96 0.00 0.00 125 D 7.51 4.83 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 5.00 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.71 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 1.16 0.00 0.00 128 L 8.17 4.54 0.00 1.56 1.46 0.89 0.49 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 0.00 129 K 8.29 3.96 0.00 0.79 0.74 0.00 1.29 0.00 0.00 1.37 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.94 0.98 7.81 130 L 7.27 5.18 0.00 1.60 1.68 0.98 1.13 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 0.00 131 D 8.40 4.82 0.00 2.73 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 0.00 132 P 0.00 4.74 0.00 2.11 2.08 0.00 3.17 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 1.95 1.87 0.00 133 I 7.64 3.92 1.85 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 1.39 1.10 0.89 0.00 0.00 134 T 7.85 4.27 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 1.20 0.00 0.00 135 G 8.06 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 0.00 0.00 0.00 136 R 8.71 4.71 0.00 1.63 1.96 0.00 3.17 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 137 S 8.08 4.62 0.00 4.05 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 0.00 138 R 8.63 4.66 0.00 2.78 2.53 0.00 3.56 0.00 0.00 3.49 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.19 0.00 139 G 8.30 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 0.00 140 F 7.78 4.85 0.00 3.30 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 4.56 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 0.00 142 F 8.46 4.71 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.63 4.37 1.58 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 -0.07 0.00 0.00 0.35 0.00 0.00 144 L 8.47 4.90 0.00 1.59 1.52 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.30 4.49 0.00 2.99 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 0.00 146 K 9.08 4.49 0.00 2.04 1.85 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 147 E 8.29 4.81 0.00 2.22 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 2.18 2.35 0.00 148 S 8.96 4.07 0.00 3.88 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 0.00 149 E 12.00 4.51 0.00 2.65 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 150 S 7.92 3.93 0.00 3.69 4.09 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 0.00 151 V 7.18 2.76 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 1.26 0.00 0.00 1.14 0.00 0.00 152 D 8.29 4.35 0.00 2.91 2.99 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 0.00 0.00 0.00 153 K 8.00 3.92 0.00 2.02 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.46 7.81 154 V 7.20 3.37 1.60 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 0.89 0.00 0.00 -1.20 0.00 0.00 155 M 7.74 4.19 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 156 D 8.06 4.75 0.00 2.87 3.02 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 0.00 157 Q 7.76 4.47 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 158 K 8.42 4.49 0.00 1.93 1.91 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.51 7.81 159 E 7.89 4.44 0.00 2.10 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 2.36 2.33 0.00 160 H 7.85 4.92 0.00 3.34 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.39 5.13 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.21 7.81 162 L 7.18 4.09 0.00 1.34 0.13 0.77 -0.05 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 0.00 163 N 9.48 4.19 0.00 2.86 2.86 0.00 0.00 6.90 7.68 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 0.00 164 G 9.44 3.98 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 0.00 0.00 0.00 165 K 7.90 4.48 0.00 1.67 1.74 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.27 7.81 166 V 8.28 5.05 2.08 0.00 0.00 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 1.02 0.00 0.00 167 I 7.95 4.95 1.99 0.00 0.00 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 1.20 0.90 0.95 0.00 0.00 168 D 12.00 4.78 0.00 2.81 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 0.00 169 P 0.00 4.90 0.00 2.06 1.96 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 170 K 8.99 4.44 0.00 1.65 1.69 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.55 7.81 171 R 9.13 4.34 0.00 1.81 1.95 0.00 3.22 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 172 A 7.05 4.37 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00