NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4318 8.1133 119.6577 56.1231 32.0875 173.9310 3 I 4.8489 8.3629 124.2273 59.4262 40.6801 173.0817 4 T 4.5008 10.0028 125.8973 61.8954 71.1616 173.4173 5 L 4.7894 8.4707 127.1484 52.8166 42.3399 176.2057 6 V 3.5559 8.6571 125.2929 63.4061 32.0507 175.3399 7 D 4.7626 8.6146 128.9268 53.2782 41.5099 175.2523 8 H 4.6751 8.3430 124.9228 53.0918 33.8297 171.6528 9 P 4.2632 0.0000 0.0000 66.4682 30.8557 178.6531 10 L 3.9974 8.1561 117.9610 57.3841 41.4599 179.5321 11 V 3.5956 7.7360 117.8777 65.9072 31.6211 177.9468 12 Q 3.9638 8.1271 117.8236 59.1784 28.6869 178.1197 13 H 4.1059 8.3489 119.1586 59.5046 29.8613 177.4519 14 K 3.9747 8.2136 120.1217 59.2386 31.7592 179.1060 15 L 3.8407 8.2653 120.7848 57.9597 41.9467 178.8267 16 A 3.9345 7.9485 120.6819 55.7104 18.1203 179.4384 17 H 4.1111 7.8186 112.7525 58.6781 28.7824 177.7853 18 L 3.8832 7.7671 120.6050 57.4528 41.4169 179.3992 19 R 4.2207 7.9917 117.5526 58.0582 30.4124 176.7376 20 D 4.3201 7.7402 119.5239 54.4372 41.2241 177.3458 21 K 4.1972 8.6724 125.8815 59.0602 32.7106 177.8719 22 R 4.1205 8.4274 118.2203 57.5719 30.3657 176.6027 23 T 4.0744 7.7897 116.2256 62.9301 68.4993 175.4698 24 G 3.9120 8.5198 113.5856 43.3013 0.0000 171.7398 25 P 5.0323 0.0000 0.0000 64.7930 31.2039 178.8936 26 K 3.9367 7.9997 117.5246 59.8127 32.2818 178.4823 27 D 4.3710 8.0705 118.6510 57.1581 40.7558 178.3183 28 F 3.8984 8.6887 121.6834 61.2494 39.5031 177.1355 29 R 3.9287 8.4379 118.5399 59.4962 29.8485 178.3207 30 E 3.9439 8.1800 118.2958 59.4051 29.4556 179.1977 31 L 4.0166 8.2861 119.1379 57.9083 41.5944 179.5315 32 A 3.9076 7.9760 120.5693 55.1331 18.0388 179.5838 33 E 3.8995 7.8562 115.9784 59.4832 29.5996 179.1273 34 E 4.0711 8.0767 117.7116 59.3707 29.6289 179.2419 35 V 3.7330 7.9066 117.1347 65.7600 31.6222 178.7846 36 A 4.0775 7.7966 117.0695 52.6052 18.4701 177.6364 *38 L 3.9699 7.7893 118.1765 56.1524 42.9829 178.7663 *40 A 4.2315 7.9005 124.0226 52.3999 20.4980 179.1346 41 Y 4.0007 7.9259 115.7780 61.0196 39.0107 177.6567 42 E 4.1891 8.5476 116.9156 59.6084 29.6517 180.2185 43 A 4.2391 7.2267 119.9763 52.3942 17.5425 178.6402 *45 R 4.2337 7.9992 119.9121 57.7710 32.0553 177.1584 46 D 4.4314 8.1415 116.4661 56.5814 41.0612 176.6506 47 L 3.9610 7.9298 118.9368 55.0060 42.0868 176.4320 48 E 4.1810 8.8026 125.0918 56.2781 30.7825 175.4277 49 L 5.4062 8.4857 125.2139 52.9272 45.4357 175.2092 50 E 4.7850 9.2414 117.7281 54.6522 33.3465 174.1722 51 E 4.7540 8.6756 121.9230 56.4208 31.2216 175.0588 52 T 4.5987 8.4349 119.3463 61.9576 71.4973 171.4670 53 T 5.2322 8.3358 110.9974 60.4676 72.2327 173.1180 54 V 4.5538 8.4654 114.2635 60.4360 37.0950 173.2967 55 E 4.8915 8.6493 121.5669 55.0732 30.9082 176.6566 56 T 4.4179 8.7181 115.5964 59.5265 70.5443 174.0795 57 P 4.4367 0.0000 0.0000 64.7531 31.6013 177.6357 58 I 4.0954 7.0998 116.4414 62.3665 38.2822 175.1278 59 A 4.3738 7.8290 120.8708 50.6060 22.3973 173.3011 60 P 4.9376 0.0000 0.0000 62.9558 32.3928 176.5810 61 A 4.6710 8.8980 123.8903 50.4774 22.7100 175.5187 62 R 4.5778 8.6710 122.0139 56.1539 31.3035 176.3076 63 V 4.6165 9.0491 116.2931 59.9518 36.8075 173.9391 64 K 5.1047 8.5427 119.0247 55.2031 35.5911 176.4704 65 V 4.6241 8.6093 115.9617 59.0312 36.4357 174.8951 66 L 4.6379 8.5093 122.1283 55.1553 41.9702 177.2566 67 S 4.5033 8.5640 118.0531 58.3164 65.1218 175.7020 68 G 3.8044 8.4888 109.6726 44.6408 0.0000 173.3286 69 K 4.3119 8.2538 117.7586 55.3930 32.9239 176.9670 70 K 4.2811 8.3297 119.9804 56.5880 32.7049 177.2693 71 L 4.5080 8.6375 123.2249 55.8295 42.4064 175.1526 72 A 5.2424 9.2237 122.6676 50.3795 21.7543 175.6349 73 L 5.0652 9.0730 122.8852 53.0346 44.3095 175.6841 74 V 4.8042 9.0541 125.0228 61.0921 33.7053 174.2235 75 A 5.0577 8.6702 130.0563 50.7501 21.5408 175.8188 76 I 4.6615 8.1591 122.0285 59.5074 38.5398 175.6026 77 L 4.3726 8.6274 128.2245 55.3323 42.4216 178.8161 78 R 4.1769 8.9528 121.1782 58.9189 30.7744 178.8225 79 A 4.1541 8.4014 120.2096 55.6319 17.9088 179.7608 80 G 3.7435 8.2801 103.2420 47.6154 0.0000 175.3986 81 L 4.3146 8.2844 121.8549 57.6579 41.8203 181.2348 82 V 3.8365 7.3772 115.3384 61.9243 30.8214 178.2090 *84 V 4.0074 7.9775 121.6630 63.9530 33.0897 177.1449 85 E 4.0781 8.4162 118.1512 59.2796 29.5106 179.3434 86 G 3.7373 7.9520 105.2095 48.1002 0.0000 175.8423 87 I 3.7308 7.7449 122.5478 63.7903 36.6571 178.3625 88 L 3.9699 8.2551 120.0921 57.5606 41.1749 179.4492 89 K 3.7585 7.8724 117.4249 58.4314 31.9279 178.1421 90 L 4.5843 7.7855 118.2248 54.7873 44.4221 177.1436 91 V 4.4583 7.0663 111.1437 58.5390 31.6656 174.4478 92 P 4.3554 0.0000 0.0000 65.1487 31.6807 177.7869 93 H 4.5569 8.0175 114.3148 55.7180 29.1015 175.0236 94 A 4.3538 7.6754 122.4279 52.0446 19.0846 177.6824 95 R 4.3577 8.6349 120.3059 55.4821 31.9346 175.6506 96 V 4.8065 8.4699 123.0694 61.2171 33.4683 174.9785 97 G 4.3618 9.2264 114.8480 45.0932 0.0000 171.7484 98 H 5.5596 9.5341 117.0277 53.9678 33.4895 172.7531 99 I 4.8196 8.9297 123.5013 59.3852 40.3740 175.0164 100 G 3.2606 9.8398 116.7739 45.1947 0.0000 172.1408 101 L 6.0782 8.3376 125.7877 52.3937 45.9038 175.6329 102 Y 5.0526 8.3083 119.7712 55.3381 42.1109 173.7026 103 R 4.8631 8.6756 121.3269 54.7592 31.5351 175.1704 104 D 4.5744 8.9041 127.3620 53.4266 42.2319 176.2507 105 P 4.6707 0.0000 0.0000 62.8956 30.1329 176.2621 106 E 4.4665 8.5109 118.7780 58.4043 31.6672 176.1757 107 S 4.2923 8.1672 113.6744 58.2680 63.9089 174.3435 108 L 3.7180 7.8500 118.9754 55.7463 39.4701 173.5660 109 N 4.9719 7.5975 116.4288 51.4800 40.3166 173.0233 110 P 4.8975 0.0000 0.0000 62.6993 32.9480 175.4762 111 V 4.1860 8.4061 121.9141 61.0702 34.0436 173.8838 112 Q 4.9086 8.6535 129.6705 55.2329 29.6602 174.3755 113 Y 4.9544 8.4113 123.2773 56.0546 39.0335 174.6981 114 Y 4.4124 7.3807 119.1335 57.7263 42.0756 172.0401 115 I 4.7140 7.1222 123.8759 59.9947 41.4414 173.5957 116 K 4.4823 9.3604 131.1855 55.2691 35.4701 174.6072 117 L 5.1604 8.3999 126.4428 51.9377 45.2882 174.8682 118 P 4.4056 0.0000 0.0000 61.7732 31.9670 174.9548 119 P 4.3409 0.0000 0.0000 63.8727 32.2685 175.4777 120 D 4.3708 8.6947 117.0400 55.4659 38.5458 175.5865 121 I 3.6783 7.6379 118.7596 63.4768 38.5274 177.0916 122 A 4.4233 7.9109 121.1971 53.8591 18.3198 177.6011 123 E 4.7218 8.0921 114.7603 55.9862 30.0449 175.7871 124 R 4.8098 7.6428 116.4837 54.1972 34.1211 175.5485 125 R 4.2028 8.6730 121.0684 56.1253 31.6173 175.2713 126 A 5.3548 8.3981 124.8915 50.1218 22.5977 174.8532 127 F 5.0474 9.2159 119.2136 55.6207 42.4690 173.6586 128 L 5.0046 8.9079 126.5816 53.6279 43.9982 174.8918 129 L 5.0470 8.9578 126.6271 53.0171 44.2006 175.4196 130 D 4.2795 8.7677 124.0549 52.4524 43.5255 173.0545 131 P 3.9969 0.0000 0.0000 63.8842 33.5981 175.5995 *133 L 4.0951 8.0245 122.6105 56.7112 42.0522 176.6742 134 A 4.1393 8.5615 129.3584 53.5407 18.0518 178.8645 135 T 4.0522 8.5782 113.2341 60.9662 70.4876 177.1250 136 G 3.9616 8.3446 110.2905 45.8402 0.0000 175.4006 137 G 3.5867 8.0251 107.4735 47.7962 0.0000 176.2591 138 S 4.0508 7.9921 116.7550 61.4212 62.9966 176.3970 139 A 3.9913 7.9710 122.8969 55.1925 18.1459 179.4249 140 S 4.0788 8.3339 111.7993 61.3801 62.4097 176.1592 141 L 3.9090 7.9175 122.7448 58.1194 41.8410 178.4873 142 A 3.9644 8.2496 121.0769 55.5322 18.1756 179.6908 143 L 3.8630 8.2737 117.5477 57.8297 41.5976 179.9977 144 S 4.0992 8.0026 115.2426 61.4127 62.9154 176.5536 145 L 3.9594 8.1405 121.9426 57.9540 41.4388 179.6230 146 L 4.0646 8.0104 118.8233 57.5146 41.5008 179.5407 147 K 3.8712 8.2989 120.0688 59.4857 32.0465 178.6777 148 E 4.1021 8.1158 115.7168 58.4610 29.4612 177.5012 149 R 4.2964 7.2149 116.5722 55.9909 30.3252 177.2321 150 G 3.9163 8.2823 107.9725 44.8549 0.0000 173.9976 151 A 4.1928 7.4971 122.9237 52.3974 17.5707 176.8869 152 T 4.5655 7.8697 109.7285 60.8718 71.8442 173.7057 153 G 3.9638 8.6613 107.9041 46.4254 0.0000 173.8808 154 V 3.7457 7.0628 118.6341 62.4291 32.8447 174.7382 155 K 4.7047 8.1714 127.1211 54.7894 34.2895 176.2881 156 L 5.1801 8.9488 128.1869 53.2805 44.6930 174.8205 *158 A 4.5558 8.1723 119.5395 52.2281 19.9448 178.0188 159 I 3.8514 8.5418 121.1461 63.6151 38.3703 176.3341 160 L 5.3615 7.8917 118.9273 52.8110 45.2822 176.1190 161 A 4.9833 8.7653 122.7386 50.2647 22.8557 174.8490 162 A 4.8467 8.7555 123.0406 49.9483 21.4413 176.2424 163 P 4.1831 0.0000 0.0000 65.9890 30.9642 178.9971 164 E 4.3086 7.7750 116.9312 58.7747 29.2825 179.3548 165 G 3.6811 7.9741 108.0426 47.1426 0.0000 175.8275 166 L 4.0643 7.8570 121.1847 57.4552 41.3205 179.3420 167 E 3.9854 8.5108 118.9440 59.2128 29.3785 179.2122 168 R 3.9364 8.0851 118.7456 59.6835 30.1508 178.7050 169 I 3.7751 7.9178 119.2551 64.2963 36.8582 178.2857 170 A 4.0919 8.2918 121.1286 54.7867 18.1907 179.4866 171 K 4.0098 8.2186 117.8106 59.9213 32.5052 178.6127 172 D 4.5208 8.2683 118.0566 56.1991 42.3950 176.7485 173 H 4.9061 8.5130 116.4426 52.7090 29.4559 171.8056 174 P 4.2909 0.0000 0.0000 65.7748 31.4993 178.6350 175 D 4.4745 7.9887 116.9846 56.5088 41.0976 176.6988 176 T 3.9840 7.6494 116.5665 63.7071 69.0976 173.3165 177 E 4.7312 8.5509 126.8053 54.6229 32.0374 174.5475 178 V 4.9251 8.7263 126.4617 61.0701 34.4823 174.1854 179 V 4.9396 8.8102 127.4006 61.3328 33.7092 174.9112 180 V 5.4836 9.1334 119.3149 59.1361 36.0059 175.7223 181 A 4.3659 8.4588 122.6503 53.8990 20.1491 177.5265 182 A 4.4750 7.5627 113.5962 51.3400 22.6357 175.2906 183 I 4.8400 8.4152 120.7124 59.8916 39.3315 175.6214 184 D 4.7144 8.8358 127.9915 53.0155 42.7303 176.6650 185 E 4.0499 8.6126 118.7955 58.4847 29.7602 177.8567 186 R 4.6990 7.1320 111.2884 56.8339 31.8647 172.5827 187 L 5.1134 8.5333 117.3311 53.2844 44.0457 176.6042 188 N 4.8232 8.8252 120.7361 51.6151 39.4698 175.1817 189 D 4.3891 8.6621 116.5489 56.6851 39.2880 176.6747 190 H 4.7585 8.7868 115.1363 55.4551 28.9251 175.7486 191 G 3.8607 8.2764 107.7909 45.5851 0.0000 173.0032 192 Y 4.4817 7.9193 117.0496 56.4319 39.9513 175.0077 193 I 4.3093 8.5220 124.3613 61.5120 38.5848 174.8143 194 V 4.5235 9.1406 127.8046 60.6004 32.9710 174.7530 195 P 4.4388 0.0000 0.0000 63.2610 32.7882 178.8939 196 G 3.8332 8.6430 108.9978 45.3283 0.0000 174.7563 197 L 4.5431 8.6659 121.8347 56.1704 43.3080 176.4369 198 G 3.6986 8.3320 104.5897 44.8676 0.0000 173.6316 199 D 4.8517 8.5386 121.6550 53.0831 42.0787 177.1128 200 A 4.0649 8.8181 129.6582 55.3440 18.5384 178.7790 201 G 3.8514 8.2138 103.1807 48.4601 0.0000 175.0772 202 D 4.9763 8.3337 123.1036 56.4990 40.8671 179.2785 203 R 3.7298 7.8306 117.9032 58.3035 29.6188 179.2070 204 I 3.5866 7.0686 119.3287 63.9448 37.3792 177.0613 205 Y 4.7441 7.6570 113.9295 56.9675 38.6168 175.6964 206 G 3.7690 8.3346 108.1393 47.0111 0.0000 173.3133 207 T 4.7430 7.2829 112.0631 61.6449 71.6062 174.4801 208 K 4.7741 8.2741 119.4716 58.5561 31.9286 174.1808 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 2 R 8.11 4.43 0.00 1.78 1.94 0.00 3.03 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 3 I 8.36 4.85 1.88 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 1.35 0.72 0.92 0.00 0.00 4 T 10.00 4.50 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 1.25 0.00 0.00 5 L 8.47 4.79 0.00 1.54 1.66 0.93 0.97 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 6 V 8.66 3.56 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 0.73 0.00 0.00 1.02 0.00 0.00 7 D 8.61 4.76 0.00 2.64 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 8 H 8.34 4.68 0.00 3.16 3.03 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.26 0.00 2.27 2.27 0.00 3.27 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 10 L 8.16 4.00 0.00 1.64 1.72 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.74 3.60 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 1.16 0.00 0.00 0.91 0.00 0.00 12 Q 8.13 3.96 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 13 H 8.35 4.11 0.00 3.32 3.53 0.00 5.78 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 14 K 8.21 3.97 0.00 1.86 1.78 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.66 7.81 15 L 8.27 3.84 0.00 1.82 1.87 0.90 1.28 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 16 A 7.95 3.93 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 17 H 7.82 4.11 0.00 3.21 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.77 3.88 0.00 1.62 1.40 0.66 -0.16 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 19 R 7.99 4.22 0.00 1.95 2.00 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 20 D 7.74 4.32 0.00 2.76 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 21 K 8.67 4.20 0.00 1.90 1.93 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 22 R 8.43 4.12 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 23 T 7.79 4.07 4.48 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 1.32 0.00 0.00 24 G 8.52 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 0.00 0.00 0.00 25 P 0.00 5.03 0.00 2.17 2.22 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 26 K 8.00 3.94 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.55 7.81 27 D 8.07 4.37 0.00 2.77 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 28 F 8.69 3.90 0.00 3.18 3.19 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 29 R 8.44 3.93 0.00 2.06 2.07 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 30 E 8.18 3.94 0.00 2.20 2.12 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 2.33 2.44 0.00 31 L 8.29 4.02 0.00 1.61 1.53 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.98 3.91 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 33 E 7.86 3.90 0.00 2.14 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 2.58 2.59 0.00 34 E 8.08 4.07 0.00 2.04 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 2.32 2.29 0.00 35 V 7.91 3.73 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 0.78 0.00 0.00 0.92 0.00 0.00 36 A 7.80 4.08 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0.00 0.00 0.00 2.22 2.27 0.00 56 T 8.72 4.42 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 1.26 0.00 0.00 57 P 0.00 4.44 0.00 2.06 2.16 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 58 I 7.10 4.10 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 1.23 0.82 0.91 0.00 0.00 59 A 7.83 4.37 1.21 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 60 P 0.00 4.94 0.00 1.95 1.99 0.00 3.64 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 2.02 2.09 0.00 61 A 8.90 4.67 1.18 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 0.00 0.00 62 R 8.67 4.58 0.00 1.71 1.88 0.00 3.16 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 63 V 9.05 4.62 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 0.75 0.00 0.00 0.93 0.00 0.00 64 K 8.54 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0.00 0.00 115 I 7.12 4.71 1.77 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 1.14 0.63 0.74 0.00 0.00 116 K 9.36 4.48 0.00 1.81 1.82 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.52 7.81 117 L 8.40 5.16 0.00 1.51 1.51 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.41 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 119 P 0.00 4.34 0.00 2.18 2.06 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 120 D 8.69 4.37 0.00 2.86 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 0.00 121 I 7.64 3.68 2.01 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 1.34 1.36 0.93 0.00 0.00 122 A 7.91 4.42 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 0.00 123 E 8.09 4.72 0.00 1.94 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 2.23 2.23 0.00 124 R 7.64 4.81 0.00 1.69 1.88 0.00 3.18 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 125 R 8.67 4.20 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 126 A 8.40 5.35 1.16 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 0.00 0.00 127 F 9.22 5.05 0.00 2.99 2.97 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 0.00 128 L 8.91 5.00 0.00 1.76 1.53 0.96 0.38 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 0.00 129 L 8.96 5.05 0.00 1.58 1.58 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.77 4.28 0.00 2.71 2.53 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 0.00 131 P 0.00 4.00 0.00 2.19 2.16 0.00 3.74 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 2.26 2.19 0.00 *133 L 8.02 4.10 0.00 1.78 1.64 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.56 4.14 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 0.00 135 T 8.58 4.05 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 1.19 0.00 0.00 136 G 8.34 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 0.00 137 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.05 0.00 3.89 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 0.00 139 A 7.97 3.99 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 0.00 140 S 8.33 4.08 0.00 3.97 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 0.00 141 L 7.92 3.91 0.00 1.81 1.80 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.25 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 3.86 0.00 1.61 1.40 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.00 4.10 0.00 4.05 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 0.00 145 L 8.14 3.96 0.00 1.83 1.68 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.01 4.06 0.00 1.79 1.68 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.30 3.87 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 148 E 8.12 4.10 0.00 2.16 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 2.53 2.33 0.00 149 R 7.21 4.30 0.00 1.97 1.97 0.00 3.40 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 150 G 8.28 3.92 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 0.00 0.00 0.00 151 A 7.50 4.19 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 0.00 152 T 7.87 4.57 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 1.22 0.00 0.00 153 G 8.66 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 0.00 154 V 7.06 3.75 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 0.84 0.00 0.00 0.85 0.00 0.00 155 K 8.17 4.70 0.00 1.46 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.07 7.81 156 L 8.95 5.18 0.00 1.74 1.57 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *158 A 8.17 4.56 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 0.00 159 I 8.54 3.85 2.00 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 1.23 1.15 0.89 0.00 0.00 160 L 7.89 5.36 0.00 1.51 1.55 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.77 4.98 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 0.00 162 A 8.76 4.85 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 0.00 163 P 0.00 4.18 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 164 E 7.77 4.31 0.00 2.16 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 0.00 2.37 2.19 0.00 165 G 7.97 3.68 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 0.00 0.00 0.00 166 L 7.86 4.06 0.00 1.84 1.74 0.93 0.98 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 0.00 167 E 8.51 3.99 0.00 2.14 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 2.33 2.60 0.00 168 R 8.09 3.94 0.00 2.05 2.13 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 169 I 7.92 3.78 1.88 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 1.66 0.69 0.93 0.00 0.00 170 A 8.29 4.09 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 0.00 171 K 8.22 4.01 0.00 1.76 2.03 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 172 D 8.27 4.52 0.00 2.57 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 0.00 173 H 8.51 4.91 0.00 3.08 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.84 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 4.29 0.00 2.17 2.31 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 175 D 7.99 4.47 0.00 2.69 2.76 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 0.00 176 T 7.65 3.98 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 1.24 0.00 0.00 177 E 8.55 4.73 0.00 1.99 1.75 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 2.22 2.35 0.00 178 V 8.73 4.93 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 0.85 0.00 0.00 0.94 0.00 0.00 179 V 8.81 4.94 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 0.90 0.00 0.00 0.99 0.00 0.00 180 V 9.13 5.48 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 0.82 0.00 0.00 1.02 0.00 0.00 181 A 8.46 4.37 1.31 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 0.00 0.00 0.00 182 A 7.56 4.48 1.21 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 0.00 183 I 8.42 4.84 1.88 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 1.36 0.71 0.92 0.00 0.00 184 D 8.84 4.71 0.00 2.52 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 0.00 185 E 8.61 4.05 0.00 2.04 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 2.36 2.26 0.00 186 R 7.13 4.70 0.00 1.94 2.03 0.00 3.10 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 187 L 8.53 5.11 0.00 1.64 1.62 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 188 N 8.83 4.82 0.00 2.94 3.03 0.00 0.00 6.59 7.83 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 0.00 189 D 8.66 4.39 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 H 8.79 4.76 0.00 3.54 3.57 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 8.28 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 0.00 192 Y 7.92 4.48 0.00 3.14 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 0.00 193 I 8.52 4.31 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.98 0.00 0.00 194 V 9.14 4.52 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 1.06 0.00 0.00 0.99 0.00 0.00 195 P 0.00 4.44 0.00 2.23 2.17 0.00 4.15 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 2.09 1.97 0.00 196 G 8.64 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 0.00 0.00 0.00 197 L 8.67 4.54 0.00 2.01 1.80 1.15 0.56 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 0.00 198 G 8.33 3.70 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 0.00 0.00 0.00 199 D 8.54 4.85 0.00 2.94 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 0.00 200 A 8.82 4.06 1.44 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 0.00 0.00 201 G 8.21 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 0.00 202 D 8.33 4.98 0.00 2.84 2.82 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 0.00 203 R 7.83 3.73 0.00 0.74 0.70 0.00 3.04 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 204 I 7.07 3.59 1.47 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 1.67 0.59 -0.07 0.00 0.00 205 Y 7.66 4.74 0.00 2.98 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 0.00 206 G 8.33 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 0.00 0.00 0.00 207 T 7.28 4.74 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 1.24 0.00 0.00 208 K 8.27 4.77 0.00 1.83 1.75 0.00 1.19 0.00 0.00 2.38 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.17 7.81 * Residues marked with a * may have inaccurate shift predictions.