NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *75 H 4.6628 8.5445 117.2796 53.4829 31.3704 175.2661 76 L 3.6555 9.0715 114.1002 58.4890 39.6389 178.3964 77 E 4.5275 9.4268 109.9764 56.5113 28.6520 177.9609 78 I 4.7105 7.4716 123.1043 60.4088 39.3308 174.8923 79 I 4.6989 7.7648 118.6490 58.1808 40.1885 176.1817 80 S 4.2784 8.7611 120.1293 57.9495 64.1767 174.8604 81 L 3.9668 8.4281 127.0647 58.0421 41.2825 179.3401 82 E 3.9114 8.2621 116.7608 59.8329 29.4076 179.2223 83 E 3.9581 7.8356 116.7449 59.3116 29.9900 178.7275 84 I 3.7960 7.5344 112.5661 64.1074 37.4403 177.7388 85 S 4.0827 7.9966 112.7400 59.5447 62.2309 175.1956 *87 L 4.0251 7.6567 121.5101 55.4171 43.0442 177.9633 88 V 3.6825 7.5837 117.2922 64.9692 31.8752 175.9097 89 S 4.1131 8.1766 113.4629 59.4326 62.9167 174.8761 90 S 4.5256 8.7149 119.5679 59.2414 63.2852 175.5307 91 D 4.4102 8.1554 119.5250 55.2850 39.0674 176.5415 92 F 4.7158 7.5415 117.3494 56.0416 40.6637 174.6522 93 D 4.8990 8.5282 122.7292 52.3143 40.8902 177.4745 94 L 3.7014 8.4731 122.0928 57.6981 41.7187 178.9097 95 P 4.0727 0.0000 0.0000 65.3280 31.9493 178.1658 96 E 4.1366 8.5389 117.5093 58.6692 29.4443 179.6561 97 V 3.5293 7.5511 118.1818 65.9636 31.7385 177.7990 98 L 3.9951 8.1015 118.9827 57.8668 41.4299 179.3339 99 Q 3.9891 7.8637 117.6966 59.6088 28.7449 178.8849 100 H 4.2090 7.7796 117.7226 58.7703 29.7749 177.3867 101 V 3.5274 8.1834 121.0182 66.0350 31.3283 177.8255 102 T 3.8090 8.2011 109.5205 65.1334 68.3047 176.0629 103 A 3.8754 7.9800 123.8353 53.9856 18.1770 179.6764 104 K 3.8449 8.0172 118.5328 59.6626 32.4107 179.1958 105 V 3.7526 7.9757 118.3617 66.1044 31.4956 177.6344 106 A 4.0672 8.2296 121.0211 55.5071 18.0973 179.6563 107 T 3.9584 7.4635 107.6349 64.6409 68.8933 177.2196 108 Q 3.9327 8.2364 120.4243 58.6046 28.9020 177.9697 109 L 4.3657 8.2484 116.9175 53.6730 41.8084 177.0100 110 K 3.8954 7.3938 116.2952 57.6992 31.8746 175.9427 111 V 4.1471 7.6159 111.8447 61.5276 32.4174 176.0799 112 S 4.7882 7.8085 114.3090 57.9134 63.7910 174.2930 113 V 5.0761 7.1407 117.1881 62.2416 33.7739 170.5090 114 C 5.2823 8.2036 123.3201 58.0809 34.9267 172.1406 115 N 5.5190 9.4503 123.0245 51.4564 42.5883 173.2542 116 I 4.9606 8.3848 121.7423 59.7873 40.4547 174.1782 117 Y 5.1621 9.4464 124.3105 56.1369 41.2365 174.6083 118 L 5.1123 8.9956 123.2868 52.4862 44.8124 175.9669 119 R 4.2786 8.8615 124.8612 57.2064 30.6240 175.8734 120 E 4.3041 9.5343 127.5313 55.9668 32.2195 175.4942 121 G 3.8482 8.6542 118.7987 45.8980 0.0000 173.7913 122 D 4.6896 8.5663 122.0290 53.9419 39.3771 175.0441 123 E 4.9865 7.9405 118.1501 55.4828 33.6458 173.8676 124 V 4.9172 8.5115 118.8637 61.9332 34.9148 174.9060 125 V 5.1309 8.5206 127.1858 59.4860 34.6403 174.8861 126 L 4.1695 8.4430 124.3614 55.4007 41.9844 176.4781 127 A 4.6971 8.8982 124.5368 52.4950 21.6790 175.8583 128 A 4.7867 7.5618 114.7154 51.0866 22.8378 175.4066 129 T 5.0823 8.4088 108.0973 60.3094 72.6656 173.3158 130 H 4.5645 10.2320 122.6866 57.5459 32.2255 171.9685 131 G 3.2548 8.7909 119.5556 45.7122 0.0000 173.1388 132 F 4.4479 7.7493 118.6464 55.4210 40.6758 174.7052 133 D 4.6991 8.9752 120.5248 53.6457 41.7977 175.2724 134 P 4.3284 0.0000 0.0000 65.2981 31.7360 178.3597 135 A 3.8582 8.2432 120.8821 55.5088 18.3299 178.4341 136 F 4.5195 7.9460 111.1657 58.3614 39.0354 177.4478 137 I 3.6603 8.0327 123.5469 64.4805 36.8467 177.8319 138 G 3.8226 7.9220 106.1363 47.0180 0.0000 174.7441 139 K 4.1303 7.6982 118.5623 58.2937 32.6870 176.9242 140 I 4.4229 7.7095 120.3460 59.9118 38.6874 174.9967 141 R 5.1350 8.6294 125.8292 54.3891 33.2767 174.9806 142 I 4.3039 8.5379 125.0767 59.1278 38.9673 175.5527 143 K 3.8217 8.6574 128.5197 56.7669 33.1761 175.5259 144 I 3.7189 8.4699 123.8812 64.1547 37.4085 177.1515 145 G 3.7775 8.0340 112.7997 46.6772 0.0000 173.8481 146 D 4.3642 7.6446 120.2964 57.1707 41.6472 178.7171 147 G 3.8577 7.5880 109.7261 45.4680 0.0000 173.1038 148 I 3.8094 8.0946 118.5338 61.7045 38.2849 178.8931 149 T 3.9352 7.7752 116.6534 66.9243 68.2034 176.2590 150 G 4.2383 8.0167 108.3227 47.6824 0.0000 175.5806 151 S 4.1272 7.6432 116.8269 61.2044 62.7447 176.8108 152 V 3.7159 7.5401 120.8959 66.0645 31.0820 177.8712 153 A 3.9597 8.0226 119.4102 54.9087 18.1455 179.0833 154 R 4.0845 7.3759 116.0632 58.8795 30.6170 177.6001 155 D 4.6260 8.5681 118.1313 53.7633 41.2776 178.5193 156 G 4.0190 8.2355 106.3325 45.4708 0.0000 173.2293 157 Q 4.2202 7.2520 118.0756 54.5153 29.7563 175.3721 158 Y 4.3435 7.8655 120.8087 56.9530 39.2683 174.8708 159 I 4.5789 8.4345 121.4718 59.4654 40.6639 174.6380 160 S 5.3402 8.9165 120.2367 56.5397 65.1042 173.2919 161 L 4.9305 8.7075 122.8961 53.8936 43.5402 175.0520 162 S 5.0569 8.6384 115.6310 56.8530 65.3074 173.7766 163 R 4.8177 8.3739 123.1193 54.2431 33.4724 174.5377 164 A 4.7390 8.5474 124.2499 50.9546 20.2176 176.8337 165 S 4.6834 8.8213 116.3113 56.8867 66.4286 174.4593 166 Q 4.2851 8.4835 121.8239 55.0753 30.9243 173.7699 167 D 4.6002 8.6051 123.8702 52.6599 41.7726 174.8750 168 P 4.1478 0.0000 0.0000 63.5212 31.9958 176.9817 169 R 4.6578 7.8391 117.6989 57.0571 31.5325 175.6071 *170 Y 4.2504 8.2046 132.6277 56.2928 36.2114 176.1628 *180 K 4.1802 7.7739 127.6628 56.5646 34.3974 178.9340 *181 Y 5.6293 8.4474 123.6302 56.0572 38.5695 172.3023 182 N 5.0477 8.3215 124.4950 52.0472 40.5983 174.0273 183 S 5.3477 8.7072 114.2629 55.7619 68.2597 172.6222 *185 L 4.3216 8.2517 120.8811 55.3970 43.4497 175.5301 186 S 5.1405 9.2299 120.3718 56.6790 65.3892 172.1543 187 F 5.1416 9.2583 129.9751 55.6836 42.4085 172.5836 188 P 5.1174 0.0000 0.0000 62.4755 33.1495 175.2537 189 I 4.4480 8.4915 122.0703 60.4522 39.4596 175.3269 190 G 4.2535 8.1197 113.4050 46.7890 0.0000 169.8681 191 D 4.8066 8.5784 117.9979 52.2973 41.4660 174.3169 192 K 3.7984 8.0593 115.5336 60.8419 32.4166 178.2456 193 K 4.0869 7.3633 121.2100 57.8599 33.2831 178.8318 194 E 4.5943 9.2487 115.7616 55.6829 32.5900 174.1069 195 V 4.4729 8.1547 118.1595 63.0803 32.5260 175.3547 196 Y 4.4887 9.2011 123.2846 58.4751 41.1959 175.3700 197 G 4.1686 7.5003 103.7171 46.2531 0.0000 171.9415 198 V 5.0796 8.8062 119.3219 61.2927 35.2523 174.1894 199 I 4.9137 9.0766 128.6134 59.6042 39.8421 173.8532 200 N 5.6763 9.3924 126.8233 51.5642 41.8595 173.6218 201 L 5.2387 9.0870 121.7168 53.1745 43.8086 175.8012 202 N 5.4264 9.2193 120.8971 51.7478 42.2112 173.4845 203 T 4.9568 9.0251 118.0944 60.5290 70.4374 174.7268 204 T 4.1573 8.5942 115.4471 62.7660 69.7295 175.4511 205 S 4.2030 7.3418 116.7689 57.6729 63.6922 174.1526 206 I 3.9175 8.0703 122.5435 60.7530 37.0478 175.3761 207 R 4.5159 8.7145 124.7837 54.4713 32.3400 175.0851 208 S 4.2172 8.3802 117.0839 57.6013 64.0256 173.6021 209 F 4.7470 8.4746 123.5298 57.0707 38.8958 175.6957 210 H 4.6177 9.3524 125.6201 55.8930 31.6645 174.9943 211 E 3.9825 8.8955 124.5939 60.3911 29.3442 179.5086 212 D 4.4787 7.6244 117.9339 55.7599 39.6111 177.8131 213 E 4.0206 7.8571 120.5486 59.4539 29.6035 178.8166 214 I 3.5590 8.0508 120.1113 64.2201 37.2133 177.3353 215 Y 4.2353 8.0806 121.4061 60.0787 38.4851 177.9403 216 F 4.0911 8.7916 121.4237 61.5657 39.4068 177.3464 217 V 3.0387 7.4174 117.6039 65.2741 30.9166 178.1840 218 S 3.1869 7.7231 114.7398 61.0162 62.7137 176.4369 219 I 3.4290 7.1222 123.5261 64.1210 36.8726 178.3272 220 I 3.3503 7.0113 119.9843 64.4186 36.7930 178.3202 221 A 3.8843 7.7507 121.4241 54.4537 18.0859 178.7400 222 N 4.3646 7.5360 115.4450 55.8049 39.2516 177.2028 223 L 3.9245 7.9690 120.8756 57.5719 41.6919 179.4426 224 I 3.6909 7.7724 120.0322 64.0429 37.0396 178.1266 225 L 3.7358 7.7147 121.3470 58.3472 41.8524 179.0123 226 T 3.7925 7.9861 112.9247 64.6376 67.3467 175.9960 227 A 3.9546 7.9828 122.9530 55.4395 18.3972 179.4037 228 I 3.6137 7.5485 117.8290 64.4623 37.0874 178.4813 229 K 3.8342 8.0001 118.9394 59.8163 32.1523 179.2694 230 L 4.0720 8.0284 118.8051 57.8530 41.4169 179.8706 231 R 4.0779 7.8395 117.4007 59.1264 30.3433 178.6586 232 Q 3.9773 8.6224 119.6060 59.3814 29.1304 178.1819 233 Q 3.9729 7.8012 117.3905 59.0364 29.2506 178.8259 234 V 3.6786 7.5209 117.2540 65.5884 31.2493 176.9105 235 A 4.3395 7.6549 120.7601 54.6592 18.8197 178.9002 236 S 4.3006 8.3145 113.0659 59.7781 63.4777 175.5660 237 S 4.6535 8.2307 116.1303 58.0158 64.5224 173.8122 238 R 4.1705 7.4289 125.7542 56.2548 29.9447 175.0201 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 *75 H 8.54 4.66 0.00 2.95 2.94 0.00 7.21 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.07 3.66 0.00 1.73 1.19 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.43 4.53 0.00 1.98 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 2.23 1.86 0.00 78 I 7.47 4.71 1.83 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 1.37 1.33 0.94 0.00 0.00 79 I 7.76 4.70 1.89 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 1.32 0.87 0.89 0.00 0.00 80 S 8.76 4.28 0.00 3.90 3.71 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 0.00 0.00 0.00 0.00 81 L 8.43 3.97 0.00 1.72 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.26 3.91 0.00 1.89 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 2.33 2.50 0.00 83 E 7.84 3.96 0.00 2.03 1.92 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 2.22 2.32 0.00 84 I 7.53 3.80 1.84 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 1.61 0.61 0.87 0.00 0.00 85 S 8.00 4.08 0.00 4.02 4.05 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 *87 L 7.66 4.03 0.00 1.72 1.79 0.89 0.88 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 88 V 7.58 3.68 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 0.84 0.00 0.00 0.94 0.00 0.00 89 S 8.18 4.11 0.00 4.09 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 90 S 8.71 4.53 0.00 3.92 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 91 D 8.16 4.41 0.00 2.53 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 92 F 7.54 4.72 0.00 3.11 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 93 D 8.53 4.90 0.00 2.88 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 94 L 8.47 3.70 0.00 1.71 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.07 0.00 2.12 2.05 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 96 E 8.54 4.14 0.00 2.37 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 0.00 2.39 2.37 0.00 97 V 7.55 3.53 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 0.95 0.00 0.00 98 L 8.10 4.00 0.00 1.70 1.68 0.91 1.20 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 99 Q 7.86 3.99 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 100 H 7.78 4.21 0.00 3.40 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.18 3.53 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 0.97 0.00 0.00 0.86 0.00 0.00 102 T 8.20 3.81 4.44 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 1.21 0.00 0.00 103 A 7.98 3.88 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 0.00 104 K 8.02 3.84 0.00 1.95 2.15 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 105 V 7.98 3.75 2.06 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 0.86 0.00 0.00 0.78 0.00 0.00 106 A 8.23 4.07 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 0.00 107 T 7.46 3.96 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 1.23 0.00 0.00 108 Q 8.24 3.93 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 109 L 8.25 4.37 0.00 1.76 1.83 1.12 0.86 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 0.00 110 K 7.39 3.90 0.00 2.01 1.96 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 111 V 7.62 4.15 2.22 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 1.00 0.00 0.00 1.12 0.00 0.00 112 S 7.81 4.79 0.00 3.85 3.97 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 0.00 113 V 7.14 5.08 2.06 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 0.92 0.00 0.00 1.18 0.00 0.00 114 C 8.20 5.28 0.00 3.00 2.80 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 0.00 115 N 9.45 5.52 0.00 2.66 2.21 0.00 0.00 6.37 8.20 0.00 0.00 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 I 8.38 4.96 1.80 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 1.20 0.72 0.91 0.00 0.00 117 Y 9.45 5.16 0.00 2.81 2.93 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 0.00 118 L 9.00 5.11 0.00 1.56 1.60 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.86 4.28 0.00 1.76 2.04 0.00 3.54 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 120 E 9.53 4.30 0.00 1.92 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 2.26 0.00 121 G 8.65 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.57 4.69 0.00 2.85 2.89 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 0.00 123 E 7.94 4.99 0.00 2.10 2.07 0.00 0.00 0.00 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 2.23 0.00 124 V 8.51 4.92 2.15 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 1.05 0.00 0.00 0.96 0.00 0.00 125 V 8.52 5.13 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 0.87 0.00 0.00 1.02 0.00 0.00 126 L 8.44 4.17 0.00 1.53 1.67 0.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.90 4.70 1.23 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 0.00 128 A 7.56 4.79 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.41 5.08 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 130 H 10.23 4.56 0.00 3.29 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.79 3.25 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 0.00 132 F 7.75 4.45 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.98 4.70 0.00 2.94 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.33 0.00 2.23 2.11 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 135 A 8.24 3.86 1.05 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 0.00 0.00 136 F 7.95 4.52 0.00 3.24 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 0.00 137 I 8.03 3.66 2.01 0.00 0.00 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 1.22 0.32 0.96 0.00 0.00 138 G 7.92 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 0.00 139 K 7.70 4.13 0.00 1.93 1.97 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.60 7.81 140 I 7.71 4.42 1.92 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.97 0.00 0.00 141 R 8.63 5.14 0.00 1.66 1.82 0.00 3.20 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 142 I 8.54 4.30 1.68 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 0.66 0.60 0.78 0.00 0.00 143 K 8.66 3.82 0.00 1.86 1.66 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 144 I 8.47 3.72 2.05 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 1.14 1.03 0.89 0.00 0.00 145 G 8.03 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.64 4.36 0.00 2.55 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.59 3.86 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 0.00 0.00 0.00 148 I 8.09 3.81 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.07 0.91 0.00 0.00 149 T 7.78 3.94 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 0.90 0.00 0.00 150 G 8.02 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 0.00 0.00 0.00 0.00 151 S 7.64 4.13 0.00 3.70 3.97 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 0.00 152 V 7.54 3.72 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 1.10 0.00 0.00 1.08 0.00 0.00 153 A 8.02 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.38 4.08 0.00 1.84 2.03 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 155 D 8.57 4.63 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.24 4.02 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 0.00 157 Q 7.25 4.22 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 158 Y 7.87 4.34 0.00 2.90 1.94 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 0.00 159 I 8.43 4.58 1.89 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 1.18 0.60 0.92 0.00 0.00 160 S 8.92 5.34 0.00 4.20 4.13 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 0.00 0.00 0.00 161 L 8.71 4.93 0.00 1.80 1.81 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.64 5.06 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.37 4.82 0.00 1.71 1.79 0.00 3.12 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 164 A 8.55 4.74 1.22 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 0.00 0.00 0.00 165 S 8.82 4.68 0.00 3.83 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 0.00 166 Q 8.48 4.29 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 167 D 8.61 4.60 0.00 2.65 2.60 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 0.00 168 P 0.00 4.15 0.00 2.03 2.03 0.00 3.75 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 2.04 2.13 0.00 169 R 7.84 4.66 0.00 1.79 1.69 0.00 3.26 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.00 *170 Y 8.20 4.25 0.00 2.33 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 0.00 0.00 0.00 0.00 *180 K 7.77 4.18 0.00 1.47 1.76 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.03 7.81 *181 Y 8.45 5.63 0.00 2.04 2.06 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 0.00 182 N 8.32 5.05 0.00 2.93 3.00 0.00 0.00 5.86 7.35 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 0.00 183 S 8.71 5.35 0.00 3.56 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 L 8.25 4.32 0.00 0.71 1.15 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 186 S 9.23 5.14 0.00 3.96 3.73 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 0.00 187 F 9.26 5.14 0.00 3.14 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 0.00 188 P 0.00 5.12 0.00 2.15 2.02 0.00 2.68 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 189 I 8.49 4.45 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.05 0.92 0.00 0.00 190 G 8.12 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 0.00 0.00 0.00 0.00 191 D 8.58 4.81 0.00 2.80 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 0.00 192 K 8.06 3.80 0.00 1.77 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.54 7.81 193 K 7.36 4.09 0.00 1.80 1.76 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.87 1.43 7.81 194 E 9.25 4.59 0.00 1.98 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 2.04 2.27 0.00 195 V 8.15 4.47 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 0.99 0.00 0.00 0.94 0.00 0.00 196 Y 9.20 4.49 0.00 2.98 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 0.00 197 G 7.50 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 0.00 0.00 0.00 0.00 198 V 8.81 5.08 2.19 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 1.04 0.00 0.00 0.98 0.00 0.00 199 I 9.08 4.91 1.87 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 1.18 1.42 0.94 0.00 0.00 200 N 9.39 5.68 0.00 2.88 2.82 0.00 0.00 6.38 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 9.09 5.24 0.00 1.39 1.63 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 202 N 9.22 5.43 0.00 2.75 2.77 0.00 0.00 5.99 7.14 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 0.00 203 T 9.03 4.96 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 204 T 8.59 4.16 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 0.00 205 S 7.34 4.20 0.00 3.97 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 0.00 206 I 8.07 3.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.89 0.00 0.00 207 R 8.71 4.52 0.00 1.73 1.71 0.00 2.99 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.06 0.00 208 S 8.38 4.22 0.00 4.01 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 0.00 209 F 8.47 4.75 0.00 3.17 3.03 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 0.00 210 H 9.35 4.62 0.00 3.29 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.90 3.98 0.00 1.94 1.92 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 2.45 2.45 0.00 212 D 7.62 4.48 0.00 2.91 2.88 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 0.00 213 E 7.86 4.02 0.00 2.35 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 2.50 2.46 0.00 214 I 8.05 3.56 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.05 0.70 0.00 0.00 215 Y 8.08 4.24 0.00 3.02 3.13 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 0.00 0.00 0.00 216 F 8.79 4.09 0.00 3.10 3.28 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 0.00 217 V 7.42 3.04 1.67 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 0.57 0.00 0.00 0.77 0.00 0.00 218 S 7.72 3.19 0.00 3.99 3.99 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 0.00 219 I 7.12 3.43 1.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.09 0.71 0.00 0.00 220 I 7.01 3.35 1.46 0.00 0.00 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 0.78 0.01 0.64 0.00 0.00 221 A 7.75 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 N 7.54 4.36 0.00 2.80 2.77 0.00 0.00 7.07 6.54 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 0.00 223 L 7.97 3.92 0.00 1.57 1.59 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 224 I 7.77 3.69 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.86 0.00 0.00 225 L 7.71 3.74 0.00 1.78 1.74 0.78 0.04 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 0.00 226 T 7.99 3.79 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 1.22 0.00 0.00 227 A 7.98 3.95 1.36 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 0.00 0.00 0.00 228 I 7.55 3.61 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 1.54 0.59 1.00 0.00 0.00 229 K 8.00 3.83 0.00 1.81 1.84 0.00 1.22 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.32 7.81 230 L 8.03 4.07 0.00 1.84 1.72 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 231 R 7.84 4.08 0.00 2.08 1.98 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 232 Q 8.62 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 233 Q 7.80 3.97 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 234 V 7.52 3.68 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 1.01 0.00 0.00 0.93 0.00 0.00 235 A 7.65 4.34 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 8.31 4.30 0.00 4.09 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 0.00 237 S 8.23 4.65 0.00 4.01 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 0.00 238 R 7.43 4.17 0.00 1.87 1.91 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.