NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4824 8.2876 120.1760 56.6181 31.3843 174.4669 4 T 5.4774 8.7163 113.2794 58.9410 71.5517 171.9721 5 A 4.7983 8.1188 123.9264 49.4533 21.8438 175.5167 6 P 4.4921 0.0000 0.0000 62.0126 33.3342 175.5724 7 L 4.6136 8.3640 123.6412 55.0858 42.7447 176.1028 8 R 4.5819 9.1608 126.1977 54.4870 33.6007 173.6319 9 V 4.5122 8.4696 125.6288 61.1971 33.8445 174.2983 10 Q 4.7514 9.0523 127.4063 53.8607 31.6880 174.6415 11 L 4.6606 8.8982 127.0885 54.9914 42.0062 175.9870 12 I 4.5287 8.5929 119.8324 61.0263 39.6220 175.6018 13 A 4.8181 7.5807 123.6276 50.7720 22.4929 175.0293 14 K 5.1816 8.1397 118.4279 56.0543 35.9906 175.5176 15 T 4.0897 8.4899 117.7738 63.7700 68.9161 173.5034 16 D 5.0191 8.7294 125.6843 52.5480 43.1294 174.9520 17 F 5.0483 8.8499 127.0508 56.2675 42.2613 173.8965 18 L 4.1059 7.6210 126.1010 52.4613 44.1037 175.8114 19 A 3.5663 7.7185 129.1449 51.0759 19.1224 175.0984 20 P 4.2505 0.0000 0.0000 62.0449 31.9273 176.1997 21 P 4.2783 0.0000 0.0000 64.9374 31.5617 176.8646 22 D 4.5777 7.9051 115.8507 54.1598 41.1036 175.9376 23 V 3.7768 7.1736 120.9477 60.8432 32.4269 175.4002 24 P 4.6684 0.0000 0.0000 61.1086 29.5114 175.0201 25 W 5.2870 7.5472 130.4873 56.9419 34.2707 173.5252 26 T 3.9480 7.5001 113.7038 60.0352 71.3586 172.4099 27 T 4.4346 7.1850 115.5187 60.5664 70.9096 172.7149 28 D 4.6506 8.2640 122.5860 52.1945 39.4974 175.5427 29 A 4.4237 7.0320 118.7916 52.8883 22.0556 175.4992 30 D 5.0893 8.1582 118.4169 52.7375 43.2603 176.4962 31 G 3.8652 8.9391 106.5673 46.4802 0.0000 174.9287 32 G 3.8444 8.9089 106.0694 47.0421 0.0000 173.4206 33 P 4.4870 0.0000 0.0000 65.2385 31.2854 178.6078 34 A 4.1367 7.9639 119.2080 54.8142 18.3085 179.1573 35 L 3.0059 7.3224 118.8701 57.9989 42.1050 179.3728 36 V 3.6339 7.8380 118.0716 66.0148 31.4901 177.5892 37 E 3.9514 8.1319 118.5250 59.1817 29.4856 178.3396 38 F 3.3612 8.2730 120.7707 61.1095 39.1334 176.9385 39 A 4.0238 8.1563 119.2280 55.0937 17.9874 179.4806 40 G 3.8538 8.1305 104.2473 48.1977 0.0000 176.2066 41 R 3.7526 7.8645 120.2549 58.5301 29.4215 178.8497 42 A 3.6603 7.5007 120.6733 55.1496 17.9970 179.4829 43 C 3.9463 7.4320 113.7972 62.3242 28.2223 174.2148 44 Y 4.3356 7.6035 113.9060 56.9739 38.6822 175.1659 45 Q 2.5200 6.6870 117.1732 56.4899 27.1775 175.5621 46 S 4.3586 6.6872 112.0460 56.8268 61.7811 173.6893 47 W 4.7004 7.6825 127.1348 59.6755 29.7692 177.3000 48 S 4.7015 8.0004 112.0536 57.7630 62.5136 174.3649 49 K 4.6567 8.1468 119.1714 54.1954 31.7068 175.2696 50 P 4.2321 0.0000 0.0000 63.7817 32.5324 176.6470 51 N 4.8437 7.4669 117.3268 50.9442 39.7815 173.1561 52 P 4.3327 0.0000 0.0000 65.9172 31.7475 178.8387 53 K 4.1744 8.7889 120.1628 56.8991 31.6532 182.3935 54 T 4.6585 7.6696 106.3236 61.3641 68.7628 174.9403 55 A 4.3126 7.9750 125.3353 54.1072 19.4053 178.9107 56 T 4.6820 7.5787 106.7754 60.0608 72.0119 175.1261 57 N 4.5875 9.9295 122.8020 56.5521 39.1098 177.2144 58 A 4.1496 8.2017 121.7239 55.1384 18.5649 179.7502 59 G 3.5664 8.1723 104.3162 48.1062 0.0000 175.4181 60 Y 4.0299 8.6363 122.6400 60.2643 38.5881 178.1339 61 L 4.0950 8.3696 121.6965 58.5713 41.8825 179.7422 62 R 4.0613 7.8216 119.2203 61.9116 29.6221 179.7783 63 H 4.4322 8.1107 118.3374 58.9592 29.8695 177.1718 64 I 3.2304 7.3757 120.1503 63.0979 37.3491 177.0275 *66 D 4.4614 7.9765 120.9430 53.9603 42.4648 176.6371 67 V 3.8401 7.3279 115.3444 60.8365 31.6898 176.2924 68 G 3.1667 7.6302 109.9952 48.0016 0.0000 175.6789 *69 H 4.4932 7.3892 118.9420 55.9004 25.4945 179.5918 70 F 4.6046 7.6257 123.9715 60.5669 39.3741 177.6425 71 S 4.4580 8.2240 113.7297 60.9995 62.2043 176.6648 72 V 3.8047 7.6448 122.9386 64.5947 30.6469 178.2720 73 L 4.2621 8.1944 119.6246 57.4754 41.1974 178.9675 74 E 4.3022 7.7706 117.3245 59.2362 29.3364 178.5594 75 H 4.3089 7.7963 115.0445 57.0177 29.4027 175.2133 76 A 4.7092 7.1259 121.6859 50.2388 20.8973 176.4946 77 S 5.3031 8.8043 115.0787 56.6336 67.4664 173.0473 78 V 4.6900 9.0524 119.5723 61.3693 34.9984 174.1608 79 S 5.3510 8.8082 123.0228 56.7946 65.9800 173.0927 80 F 5.4177 9.3073 121.9650 55.9027 42.8801 173.4856 81 Y 5.2495 9.2916 124.0286 56.4849 40.4416 174.1675 82 I 4.8504 8.8160 128.7141 59.7082 39.8375 175.0729 83 T 4.5089 8.3881 116.5438 59.4637 72.5005 173.4750 84 G 4.5365 8.7487 106.4832 46.6666 0.0000 173.2715 85 I 4.6712 7.0376 118.4023 58.2047 40.9674 174.9824 86 S 4.9169 8.9103 122.5721 57.7685 65.3404 175.7235 87 R 4.0299 8.5140 122.7513 58.8302 29.5658 179.6653 88 S 4.1426 8.0107 113.7510 61.4467 62.8770 176.1528 89 C 4.1492 8.0573 122.3459 62.5429 30.8540 175.7602 90 T 3.8727 8.0667 111.2343 64.8195 68.1074 176.0222 91 H 4.1025 8.1943 120.6456 58.8766 30.0677 176.9460 92 E 4.1432 8.0173 120.6180 59.1607 29.5233 178.3776 93 L 4.2097 8.2061 121.0334 58.5085 41.9420 178.8131 94 I 3.5615 7.3275 110.5187 61.6765 37.5676 177.5190 95 R 4.2866 7.8292 119.9210 57.8539 29.7886 176.1141 96 H 4.4244 8.2347 117.1484 55.3536 28.1481 176.1119 97 R 3.9819 8.4311 123.7581 57.7282 30.4548 177.0672 98 H 4.6950 7.8745 114.1648 55.5926 28.8305 174.4215 99 F 5.1243 7.1052 117.8710 56.0935 41.3973 175.1581 100 S 4.6601 8.5791 116.0513 57.0133 65.6883 173.2037 101 Y 5.4593 8.2598 119.0967 56.5251 42.5776 174.4847 102 S 4.8886 9.1641 118.1243 56.9806 66.6977 172.8220 103 Q 5.0848 8.7378 125.4718 53.5092 31.9537 174.5542 104 L 3.9554 8.6349 127.2643 56.1012 42.8474 176.2554 105 S 4.5941 8.7097 120.4773 56.7535 63.2463 174.6945 106 Q 4.2820 8.5787 127.0513 58.5221 28.9122 177.8739 107 R 4.0386 7.8557 116.4912 58.6577 30.2558 176.9649 108 Y 4.7342 7.6811 113.8680 58.2095 39.0461 175.7928 109 V 4.3665 8.0100 120.1457 59.9240 32.8478 173.5817 110 P 4.4909 0.0000 0.0000 63.3797 31.9553 175.9100 111 E 4.4649 9.0761 123.6416 56.5529 29.7939 178.6402 112 K 4.0868 8.3501 123.0855 57.2525 31.6498 180.9058 113 D 5.0843 7.7249 117.5031 53.7383 41.6345 176.4618 114 S 4.2704 7.6026 113.1344 58.3224 63.8791 173.9183 115 R 4.6663 8.2736 121.3940 55.6446 32.1764 175.3624 116 V 4.7613 8.5035 120.5582 60.0831 34.2711 174.6289 117 V 4.5443 8.5599 123.7922 61.2132 32.7833 175.4149 118 V 3.8458 8.3345 128.2261 61.3467 31.9204 173.7730 119 P 4.2869 0.0000 0.0000 62.3967 31.6354 175.5457 120 P 4.1874 0.0000 0.0000 65.5435 31.3688 178.3388 121 G 3.7430 7.3590 104.5173 46.1240 0.0000 174.3294 *123 E 4.3620 8.2623 121.3114 55.9264 31.1664 176.7094 124 D 4.4648 8.0348 114.5653 53.7222 40.2755 175.9975 125 D 4.7053 7.6904 120.0494 52.4768 42.3654 175.5626 126 A 4.0048 8.4642 130.1606 55.2080 18.4403 178.3906 127 D 4.2727 8.1420 115.8699 57.5682 41.4270 178.3061 128 L 4.0182 8.1630 119.4754 57.9455 41.5141 179.7955 129 R 3.9431 8.0902 118.0611 59.3540 29.9151 178.6267 130 H 4.1429 8.4095 118.1521 59.1764 29.8659 177.2749 131 I 3.6426 7.8674 121.6501 64.2900 36.8856 177.9519 132 L 3.8930 7.9854 121.1635 58.6126 41.9669 179.2847 133 T 3.8658 8.2059 109.7804 64.5857 68.6599 176.4096 134 E 3.8686 8.3267 121.5366 59.2036 29.4368 179.0401 135 A 3.9707 8.0034 120.6468 54.9072 18.3255 179.5302 136 A 3.8877 8.2669 119.5387 55.4461 18.5375 179.3209 137 D 4.3073 8.1798 117.2103 57.6436 40.9585 179.1260 138 A 3.9832 8.1368 120.6726 55.2190 18.3480 179.5178 139 A 3.9808 8.1774 119.3393 55.3577 18.4263 179.8832 140 R 3.8760 8.4664 117.4195 59.3193 30.1483 178.6357 141 A 4.0204 8.1802 120.6878 55.4909 18.4201 179.6765 142 T 3.8273 8.0229 114.2571 66.8383 68.4361 175.8973 143 Y 4.1049 8.4170 121.8181 61.2090 38.7839 178.7532 144 S 4.0642 8.2892 115.7944 61.3038 62.7942 176.3031 145 E 3.8655 8.2875 122.0549 59.2822 29.3521 178.8539 146 L 3.8953 8.2431 119.3778 57.6105 41.6351 179.1448 147 L 3.7301 7.9339 120.3046 58.0921 42.0764 178.8385 148 A 3.9403 7.7762 120.4419 55.3052 18.2468 179.8531 149 K 3.9227 7.7900 116.6837 59.4121 32.1052 179.7370 150 L 3.5601 8.0897 119.6612 57.4992 41.2645 179.2666 151 E 4.0292 8.0997 117.5721 59.3448 29.7593 178.9035 152 A 4.0975 7.7515 120.2311 55.1739 18.2527 179.6287 153 K 3.8106 7.8144 116.9256 58.7789 32.3339 177.9539 154 F 5.0899 7.7048 116.2776 57.2389 39.0784 177.5477 155 A 4.1249 7.8751 124.7477 55.0606 18.2410 178.6694 156 D 4.6885 8.0906 114.1808 53.6038 39.6138 175.6695 157 Q 4.5142 7.8031 121.6879 54.3792 29.7180 173.5830 158 P 4.2506 0.0000 0.0000 65.2221 31.8190 176.7984 159 N 4.5085 8.0660 116.7953 52.8803 39.2678 175.1480 160 A 4.0436 8.5268 131.2948 54.9635 18.5833 179.1259 161 I 3.6548 7.7602 118.2091 64.4659 37.2647 178.1079 162 L 3.9380 8.3344 121.2498 58.0251 41.8835 178.8055 163 R 3.8565 8.1393 118.6971 59.7164 29.9723 178.7384 164 R 3.9854 8.0052 117.7094 58.9942 30.0037 178.9749 165 K 3.9975 8.0881 119.4422 59.7232 32.4171 178.8067 166 Q 3.8814 8.3009 118.2571 58.8394 28.4279 178.9238 167 A 4.3261 8.1529 121.7412 55.1909 18.4248 179.5919 168 R 3.8367 8.4163 117.9496 59.7150 29.9881 178.7766 169 Q 3.9997 8.1372 115.8748 59.0133 28.7854 178.1366 170 A 4.1582 7.7773 121.3981 54.9967 18.4814 179.4427 171 A 3.9461 8.3313 119.8625 55.0377 18.1652 179.6877 172 R 4.1172 8.3839 114.0352 59.3057 29.2121 178.2157 173 A 4.2902 7.8378 121.1383 54.4310 19.3966 178.3453 174 V 3.8169 7.2606 111.9397 59.4579 30.3229 173.6621 *176 P 4.2343 0.0000 0.0000 61.8359 32.9534 177.8195 177 N 4.3943 8.7050 115.5776 56.7999 39.3114 176.6230 178 A 4.3219 8.1431 117.9287 53.0397 19.8162 177.6810 179 T 4.2019 7.8236 113.9533 63.7029 69.4838 173.5610 180 E 4.3723 8.9636 128.0496 56.8208 29.1993 175.4393 181 T 4.8290 8.9210 119.7601 60.6567 72.0070 172.1722 182 R 4.9468 8.2147 120.1891 54.7839 34.9301 174.3649 183 I 5.0342 8.4947 121.7232 59.8668 42.3105 173.3510 184 V 4.8541 9.3826 129.5858 61.8828 33.1631 174.5744 185 V 4.8778 9.1219 128.0790 61.3855 34.4013 174.1464 186 T 5.1767 8.5614 124.0813 61.8448 71.9295 173.3129 187 G 4.5333 8.9954 111.7938 44.7398 0.0000 172.1913 188 N 5.3533 8.7544 118.5904 51.8811 38.4145 175.6908 189 Y 4.9670 8.7825 116.3510 61.5855 37.7758 179.2857 190 R 4.0348 8.3882 118.8719 59.3877 30.2676 178.1906 191 A 3.9105 8.5840 120.6404 54.9796 18.2583 179.6572 192 W 4.7142 8.6630 117.4054 60.2472 29.1985 178.8846 193 R 4.3779 8.7611 118.0880 59.7206 29.3361 178.5902 194 H 4.1575 8.3138 116.7381 59.2250 29.9809 176.5635 195 F 4.2235 8.2879 121.2222 61.5080 39.4114 176.8849 196 I 3.6140 8.3360 119.1799 64.1227 36.6249 178.4455 197 A 4.2251 7.7152 116.2883 53.7688 18.4379 178.3541 *199 R 4.0527 7.9758 119.5456 56.8487 32.1139 176.5195 200 A 4.1939 8.0187 121.0575 51.9510 18.7678 177.0426 201 S 4.9780 7.5574 114.1446 57.7322 64.9844 174.9059 202 E 4.0025 8.4213 118.2917 59.0667 29.4539 177.9851 203 H 4.3474 7.6948 116.4517 58.0189 29.0793 175.8876 204 A 4.2441 7.3961 121.7796 51.0895 19.1992 177.1334 205 D 4.4335 8.6122 119.0381 55.0452 42.9713 178.5348 206 V 3.6466 8.3609 118.5085 64.2625 31.7208 178.6169 207 E 3.8783 8.4644 119.2771 59.4259 29.5506 178.7973 208 I 3.8361 7.7038 118.1298 63.6466 38.0819 177.4845 209 R 4.4767 8.0118 121.2741 58.8609 29.8790 178.3389 210 R 3.8286 8.0877 118.4126 59.2685 29.9517 178.0754 211 L 3.8605 7.8144 119.3311 58.1746 42.0718 178.7696 212 A 4.1896 8.3630 120.9619 55.3151 18.2034 179.5140 213 I 3.5336 7.7699 118.2879 64.6224 37.0653 178.2981 214 E 3.8013 8.0748 119.9767 59.2959 29.3106 178.6909 215 C 3.4149 8.1552 117.0851 62.3514 28.0653 175.5415 216 L 3.5993 7.9803 122.2823 58.3298 41.4105 179.2461 217 R 3.8468 8.0283 117.9169 59.4769 29.6038 179.1257 218 Q 3.9895 7.7041 117.8053 58.7148 28.7487 178.5289 219 L 3.6904 7.9563 120.1864 57.5148 41.1163 179.4267 220 A 4.2089 8.1836 120.9134 55.0031 18.0747 179.5460 221 A 4.0672 7.6259 118.6319 54.6582 18.4482 179.3756 222 V 4.0084 7.2314 115.2713 63.9653 33.7165 176.2448 223 A 4.7833 8.3436 120.7693 49.3161 19.0497 174.0945 224 P 4.4581 0.0000 0.0000 64.2165 32.1984 179.2284 225 A 4.0376 8.0967 119.1879 55.1911 18.5773 178.8567 226 V 3.5432 7.7456 114.7994 65.3689 31.8851 176.7992 227 F 4.9546 7.9739 115.1803 57.1571 39.4334 177.0604 228 A 4.2819 8.0585 125.6080 54.7000 18.3612 179.1985 229 D 4.4414 8.0462 114.9104 55.4256 39.9092 175.8309 230 F 4.7006 7.6753 119.0518 57.2243 39.9312 174.7696 231 E 4.7265 9.3198 123.9241 54.5005 31.9382 175.2508 232 V 4.6409 8.5291 125.3943 62.4743 32.4764 175.0896 233 T 4.7911 9.0279 118.0759 60.2124 72.2406 172.7502 234 T 4.9386 8.3289 119.3166 62.1373 70.4644 175.0031 235 L 4.3351 8.8061 126.5531 53.3965 43.0329 177.7605 236 A 3.9879 8.5388 122.5496 55.6159 18.1661 178.4344 237 D 4.5013 7.9670 111.7759 53.8660 39.5677 177.1919 238 G 3.9863 8.0850 109.5898 45.5664 0.0000 174.3190 239 T 4.1978 7.6378 110.3178 61.7238 70.2291 173.3850 240 E 5.1124 8.5873 122.1139 54.8980 31.6927 175.4585 241 V 4.7432 8.9825 122.5310 61.0471 35.4568 173.9789 242 A 5.3111 8.8882 126.2535 50.6313 21.6247 175.7149 243 T 4.9277 8.8937 117.6650 61.8372 73.0697 173.0460 244 S 4.9838 8.5069 119.7027 55.1480 65.7766 172.6922 245 P 4.4324 0.0000 0.0000 62.3781 30.6198 175.7439 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 3 E 8.29 4.48 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 2.30 2.32 0.00 4 T 8.72 5.48 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 5 A 8.12 4.80 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 6 P 0.00 4.49 0.00 2.11 2.16 0.00 3.69 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 2.05 1.94 0.00 7 L 8.36 4.61 0.00 1.62 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.16 4.58 0.00 1.81 1.63 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 9 V 8.47 4.51 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 0.27 0.00 0.00 0.74 0.00 0.00 10 Q 9.05 4.75 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 11 L 8.90 4.66 0.00 2.00 1.61 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.59 4.53 1.86 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 1.32 0.81 1.03 0.00 0.00 13 A 7.58 4.82 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 14 K 8.14 5.18 0.00 1.75 1.72 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 15 T 8.49 4.09 4.26 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 0.00 0.00 0.00 1.27 0.00 0.00 16 D 8.73 5.02 0.00 2.68 2.56 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 17 F 8.85 5.05 0.00 3.08 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 18 L 7.62 4.11 0.00 1.35 1.22 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.72 3.57 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 20 P 0.00 4.25 0.00 2.11 1.90 0.00 3.28 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 21 P 0.00 4.28 0.00 1.99 2.05 0.00 3.60 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 1.97 2.02 0.00 22 D 7.91 4.58 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.17 3.78 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 -0.78 0.00 0.00 0.68 0.00 0.00 24 P 0.00 4.67 0.00 2.31 2.11 0.00 3.37 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 25 W 7.55 5.29 0.00 3.41 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 26 T 7.50 3.95 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 1.06 0.00 0.00 27 T 7.18 4.43 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 1.23 0.00 0.00 28 D 8.26 4.65 0.00 2.82 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 29 A 7.03 4.42 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 30 D 8.16 5.09 0.00 2.86 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 31 G 8.94 3.87 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 0.00 0.00 0.00 32 G 8.91 3.84 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 0.00 0.00 0.00 33 P 0.00 4.49 0.00 2.28 2.25 0.00 3.98 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 34 A 7.96 4.14 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 35 L 7.32 3.01 0.00 1.45 1.70 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.84 3.63 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 45 Q 6.69 2.52 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.23 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 46 S 6.69 4.36 0.00 3.84 3.72 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 47 W 7.68 4.70 0.00 3.42 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 48 S 8.00 4.70 0.00 4.05 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 49 K 8.15 4.66 0.00 1.85 1.79 0.00 1.70 0.00 0.00 2.07 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.50 7.81 50 P 0.00 4.23 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 51 N 7.47 4.84 0.00 2.68 2.69 0.00 0.00 7.02 7.59 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 52 P 0.00 4.33 0.00 2.08 2.12 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 53 K 8.79 4.17 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.25 7.81 54 T 7.67 4.66 4.40 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 1.03 0.00 0.00 55 A 7.98 4.31 1.37 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 0.00 0.00 56 T 7.58 4.68 4.41 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 1.24 0.00 0.00 57 N 9.93 4.59 0.00 2.96 2.94 0.00 0.00 6.98 7.98 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 58 A 8.20 4.15 1.37 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 0.00 0.00 59 G 8.17 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.64 4.03 0.00 3.38 3.17 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 61 L 8.37 4.10 0.00 1.72 1.77 1.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 71 S 8.22 4.46 0.00 4.05 4.16 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 72 V 7.64 3.80 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 1.01 0.00 0.00 1.10 0.00 0.00 73 L 8.19 4.26 0.00 2.03 2.04 1.16 1.05 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 74 E 7.77 4.30 0.00 2.03 1.96 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 2.48 2.38 0.00 75 H 7.80 4.31 0.00 3.17 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.13 4.71 0.52 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 77 S 8.80 5.30 0.00 4.05 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 78 V 9.05 4.69 1.96 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 0.18 0.00 0.00 1.08 0.00 0.00 79 S 8.81 5.35 0.00 3.71 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1.87 1.63 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.71 4.59 0.00 3.85 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 0.00 106 Q 8.58 4.28 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 107 R 7.86 4.04 0.00 1.20 1.66 0.00 3.06 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 108 Y 7.68 4.73 0.00 2.99 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 0.00 109 V 8.01 4.37 2.24 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 0.87 0.00 0.00 1.06 0.00 0.00 110 P 0.00 4.49 0.00 2.15 2.10 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 111 E 9.08 4.46 0.00 1.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 112 K 8.35 4.09 0.00 1.77 1.75 0.00 1.75 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.88 0.00 2.02 1.95 0.00 3.30 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 141 A 8.18 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 3.83 4.43 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 1.23 0.00 0.00 143 Y 8.42 4.10 0.00 3.11 3.20 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 0.00 0.00 0.00 0.00 144 S 8.29 4.06 0.00 3.99 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 E 8.29 3.87 0.00 2.04 2.18 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 2.28 2.33 0.00 146 L 8.24 3.90 0.00 1.82 1.61 0.92 0.45 0.00 0.00 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0.00 0.00 197 A 7.72 4.23 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *199 R 7.98 4.05 0.00 1.12 1.70 0.00 3.27 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.00 200 A 8.02 4.19 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 0.00 201 S 7.56 4.98 0.00 4.01 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 0.00 202 E 8.42 4.00 0.00 2.02 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 2.07 2.03 0.00 203 H 7.69 4.35 0.00 3.12 3.38 0.00 5.65 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 0.00 204 A 7.40 4.24 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 0.00 205 D 8.61 4.43 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 0.00 206 V 8.36 3.65 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 0.71 0.00 0.00 0.92 0.00 0.00 207 E 8.46 3.88 0.00 2.05 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 2.31 2.31 0.00 208 I 7.70 3.84 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 1.05 0.00 0.00 209 R 8.01 4.48 0.00 2.02 2.10 0.00 3.17 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 210 R 8.09 3.83 0.00 1.99 2.09 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 211 L 7.81 3.86 0.00 1.87 1.96 0.87 1.07 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 0.00 212 A 8.36 4.19 1.06 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 0.00 0.00 213 I 7.77 3.53 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.86 0.00 0.00 214 E 8.07 3.80 0.00 2.00 1.96 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 2.18 2.18 0.00 215 C 8.16 3.41 0.00 3.08 2.41 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 0.00 216 L 7.98 3.60 0.00 1.50 1.78 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.03 3.85 0.00 1.92 1.91 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 218 Q 7.70 3.99 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 219 L 7.96 3.69 0.00 0.95 0.13 0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.18 4.21 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 7.63 4.07 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 222 V 7.23 4.01 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 0.94 0.00 0.00 0.94 0.00 0.00 223 A 8.34 4.78 1.17 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 0.00 224 P 0.00 4.46 0.00 2.24 2.18 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 225 A 8.10 4.04 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 0.00 226 V 7.75 3.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.81 0.00 0.00 227 F 7.97 4.95 0.00 3.24 3.14 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 0.00 0.00 0.00 0.00 228 A 8.06 4.28 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 0.00 229 D 8.05 4.44 0.00 2.68 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 0.00 230 F 7.68 4.70 0.00 3.32 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 0.00 231 E 9.32 4.73 0.00 1.89 1.88 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 2.26 2.38 0.00 232 V 8.53 4.64 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 0.84 0.00 0.00 0.95 0.00 0.00 233 T 9.03 4.79 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 1.23 0.00 0.00 234 T 8.33 4.94 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 0.00 235 L 8.81 4.34 0.00 1.84 1.59 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.54 3.99 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 0.00 237 D 7.97 4.50 0.00 2.79 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 0.00 238 G 8.08 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 0.00 0.00 0.00 239 T 7.64 4.20 4.22 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 1.25 0.00 0.00 240 E 8.59 5.11 0.00 1.83 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 2.22 2.26 0.00 241 V 8.98 4.74 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 1.10 0.00 0.00 0.95 0.00 0.00 242 A 8.89 5.31 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 0.00 243 T 8.89 4.93 4.29 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 1.24 0.00 0.00 244 S 8.51 4.98 0.00 2.72 3.07 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 0.00 0.00 0.00 245 P 0.00 4.43 0.00 2.13 1.80 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.