NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3154 8.2649 123.5781 51.8081 19.9541 176.7477 6 H 4.1568 8.6080 119.2799 53.2395 29.3905 172.9127 7 P 4.5108 0.0000 0.0000 62.6900 32.8058 176.2229 8 I 4.1655 8.3132 114.0263 62.1275 38.3909 175.1531 9 S 4.7409 7.4582 113.7038 57.3730 64.9784 173.6940 10 R 4.0569 8.7137 124.1449 57.9147 30.0789 175.9739 11 Y 4.4003 7.9324 115.1225 55.1780 39.9902 173.4618 12 P 4.3692 0.0000 0.0000 62.7467 31.8907 176.3693 13 V 4.3639 8.1204 120.7793 60.3447 33.2809 173.8185 14 P 4.6169 0.0000 0.0000 62.1055 32.7206 175.3644 15 E 4.3581 8.3932 118.5830 55.4269 30.1246 177.8806 16 L 3.9320 8.7321 122.8155 57.9793 41.9392 179.5831 17 A 3.9992 7.9394 119.7955 54.8068 18.5493 178.4330 18 A 4.1236 7.7317 117.9239 54.6868 18.6918 178.2010 19 L 4.1957 7.1722 114.3388 53.6305 42.4253 175.8523 20 P 4.3574 0.0000 0.0000 62.7665 33.1169 177.2488 21 D 4.3896 8.7353 121.1130 57.8741 40.7554 179.2249 22 D 4.3666 8.0315 118.8652 56.3384 39.4868 178.6145 23 I 3.5921 7.5605 120.6980 64.2403 37.1948 178.0663 24 R 3.8320 8.1727 119.9036 59.4060 29.8406 178.1831 25 Q 3.9187 8.2956 119.5286 59.2072 29.1178 178.4058 26 R 3.9011 7.8572 119.3064 59.5393 30.1647 178.5679 27 I 3.4489 7.8429 119.9191 64.1243 37.0996 178.4327 28 L 3.9918 8.2288 121.0476 58.7451 40.4430 179.2175 29 E 3.9827 8.1198 119.7074 58.9202 29.3013 179.5560 30 V 3.5080 7.4345 119.0463 64.3648 31.5329 178.1673 31 Q 4.0358 7.6473 121.5294 58.5494 28.6539 178.2072 32 D 4.3555 7.8055 118.3501 57.1891 40.8974 178.4986 33 K 4.0459 7.7446 118.5233 59.1384 32.3838 178.1358 34 A 4.2860 8.4228 119.6120 51.9943 19.3335 178.3492 35 G 3.9852 10.0743 105.2438 45.2775 0.0000 172.5452 36 F 4.7184 7.2085 113.0669 55.8715 40.6015 173.1948 37 V 4.0948 8.1865 120.7351 60.1403 31.7602 173.3290 38 P 5.0276 0.0000 0.0000 63.3307 31.9917 177.6218 39 N 4.7583 10.6060 119.9904 55.7723 38.4209 178.1180 40 V 3.3529 8.1866 120.9790 64.7113 31.3458 178.3342 41 F 4.3388 8.4410 117.8949 60.3926 38.6229 177.7063 42 L 4.1734 8.2248 117.0861 58.0094 41.5402 179.2090 43 T 4.1798 8.1334 109.6926 64.7654 69.0836 177.0195 44 L 3.9779 8.0431 121.3982 56.9273 41.3834 179.0095 45 A 4.3219 7.9730 119.7205 54.9768 18.2479 178.4812 46 H 4.3729 7.8590 116.1216 57.9326 31.0405 175.2789 47 R 4.5088 8.2288 120.1526 52.2970 30.4674 173.7112 48 P 4.2432 0.0000 0.0000 65.9217 31.7179 177.4110 49 D 4.4692 8.1216 116.7378 57.4461 40.7720 178.5834 50 E 4.1064 8.1938 118.7144 59.0054 29.6224 178.6442 51 F 4.1392 8.6493 121.1817 61.5829 39.4576 177.4283 52 R 4.2637 8.5619 117.2172 59.3641 29.9251 178.9862 53 A 4.0414 8.0320 120.0181 55.0465 18.4393 179.1655 54 F 3.9742 8.6628 119.6165 61.8581 39.3561 177.5167 55 F 4.2834 8.3749 116.7078 60.0175 38.6093 177.7472 56 A 4.0260 8.2022 120.8898 55.2874 18.2231 179.0680 57 Y 3.5970 7.9859 118.0426 60.7921 38.5681 177.4099 58 H 3.3037 7.3963 117.9790 59.1165 29.9818 176.5699 59 D 4.5176 8.2570 119.2825 57.4412 40.8089 178.0132 60 A 4.1376 7.6967 119.8531 55.3431 18.3314 178.8267 61 L 4.3085 7.2517 113.7146 55.3459 41.8638 177.8719 *63 L 4.3482 7.7753 119.4996 54.0319 43.5926 177.5089 64 K 4.1336 7.8683 117.1161 56.6766 33.0569 176.1610 65 D 4.5249 8.4572 120.5853 54.2708 41.5209 176.0726 66 G 4.0257 7.9456 110.4485 45.2519 0.0000 173.2545 67 G 3.8547 8.6720 106.4169 46.0992 0.0000 173.6394 68 L 4.8376 7.6447 120.3667 53.3574 43.4150 177.1500 69 T 4.1923 8.7944 114.1176 61.1816 71.0860 175.9352 70 K 3.9295 8.4894 121.6314 59.5919 31.7231 179.8374 71 G 3.9846 7.7650 105.8281 47.5193 0.0000 175.1030 72 E 4.1726 8.0197 120.1173 59.1982 29.1920 179.4828 73 R 4.1648 8.1359 118.1793 58.8782 30.2843 178.9262 74 E 3.8845 8.1239 118.7125 56.3864 29.6297 179.2621 *76 I 3.9496 7.7634 120.9717 61.4286 39.5017 178.5895 77 V 3.1828 7.1589 118.4576 65.6274 31.0350 178.3786 78 V 3.4311 7.6246 117.7611 65.8525 31.3589 177.8679 79 A 3.9289 7.7911 120.2811 55.4087 18.3852 179.5798 80 T 3.8074 7.9493 108.3835 65.0140 68.9244 177.2121 81 S 4.9239 8.6801 119.5133 60.6144 62.7748 176.4618 82 A 3.9417 8.1871 123.5772 55.1763 17.9447 179.5716 83 A 4.0070 7.6536 117.6654 54.6677 18.4536 178.5437 84 N 4.5973 7.7137 112.1544 52.0227 39.6974 174.9351 85 Q 3.2560 7.7269 118.8450 57.0266 27.1514 174.5376 86 C 4.8362 7.9806 117.5628 56.9156 32.5597 173.4010 87 L 3.9057 8.7147 129.4893 58.4704 41.6410 177.8630 88 Y 3.8346 8.0663 118.6749 61.2073 38.7693 177.9540 89 C 4.4210 8.2295 116.9551 62.4683 28.2801 176.1729 90 V 3.4395 7.7121 120.0006 65.8933 31.0614 178.2225 91 V 3.1899 7.4396 117.5874 65.8934 30.9296 177.8390 92 A 2.5800 7.5937 120.7383 54.5854 18.0416 178.8418 93 H 4.3495 7.9924 113.7396 57.1631 29.0862 178.1012 94 G 3.5039 8.0300 108.1768 47.5323 0.0000 175.4171 95 A 3.9887 7.5304 123.2139 55.1176 18.3841 179.7105 96 I 3.4062 7.2654 117.4688 64.2465 37.0750 178.3640 97 L 3.9923 8.3174 121.3944 58.4705 41.9892 179.3089 98 R 4.1266 8.1234 117.8208 59.1926 30.0050 179.2852 99 I 3.7350 7.5689 119.1568 64.6365 37.0260 177.9648 100 Y 4.5080 7.8591 116.2783 61.3121 37.8963 177.8179 101 E 4.1990 8.8995 118.4886 56.5979 30.0607 176.8364 102 K 4.1439 7.7206 116.8294 57.3010 29.9063 176.4406 103 K 4.4738 7.8624 117.3904 53.9852 33.9818 175.8999 104 P 4.5028 0.0000 0.0000 64.7983 31.5623 178.0771 105 L 4.3609 7.8406 117.6538 56.3398 42.5237 179.1867 106 V 3.9382 7.5995 118.0374 64.8218 31.1431 178.3601 107 A 3.9685 7.9528 120.8860 54.8598 18.3878 179.1440 108 D 4.3189 8.0201 117.1064 57.1916 40.8845 178.9140 109 Q 3.9576 7.7406 117.4593 58.8771 28.6088 178.4907 110 V 3.6593 7.8062 117.7988 66.2053 31.6367 177.5877 111 A 4.1097 7.9880 119.0896 54.8179 18.2203 179.4388 112 V 4.0614 7.5125 115.4530 64.2283 32.6837 176.9218 113 N 4.7858 8.4378 123.5423 52.1786 40.0346 173.9275 114 Y 4.1828 8.6732 124.1755 59.3918 38.1596 178.9150 115 L 3.7966 7.2441 118.7324 56.2672 41.7476 177.4344 116 K 4.4769 7.9935 116.6234 55.6530 33.1017 176.2084 117 A 4.3316 7.5541 121.6771 52.2612 19.3293 178.5840 118 D 4.7528 9.0101 121.7526 53.5556 39.6515 176.5866 119 I 4.6894 7.0101 111.7236 57.7206 41.3390 175.0516 120 P 4.4734 0.0000 0.0000 61.8183 33.2357 175.7694 121 P 4.2738 0.0000 0.0000 66.0191 30.9226 178.9963 122 R 3.8421 7.8750 116.1578 59.6682 30.2077 178.2072 123 Q 4.2794 8.0403 116.0707 58.7141 29.0427 177.9883 124 R 4.2482 8.2145 119.7751 59.2454 30.2325 179.3853 125 A 4.4000 8.0533 118.6870 52.6054 18.2074 179.1159 *127 L 4.0357 7.9580 123.0496 56.4003 43.8002 179.1980 128 D 4.5084 8.5058 120.2813 56.7805 40.6841 178.7037 129 F 4.0570 8.1277 120.4592 61.0263 39.3096 177.0218 130 A 3.7062 7.8636 119.9412 55.2534 18.1507 179.5298 131 L 3.7850 7.9915 117.5030 57.4054 41.5748 179.7080 132 K 3.8158 7.5547 119.9224 59.2806 31.8942 179.1177 133 V 3.4050 6.9780 117.6635 65.6723 31.3871 177.4013 134 C 4.1135 7.8864 117.8844 62.2047 31.6036 174.9891 135 K 4.3593 7.9450 117.1499 56.7054 33.8676 177.0805 136 A 4.7475 8.2395 123.0342 50.6749 19.5293 177.4774 137 S 4.0330 8.0226 119.2989 61.3576 63.6568 176.7269 138 H 4.1641 8.2585 115.0616 57.4928 28.1688 175.4315 139 E 4.3455 7.5118 118.3253 55.7376 29.8430 176.2658 140 V 3.7791 7.6913 120.9503 63.0502 32.1739 174.6624 141 N 5.2574 9.3984 123.7517 50.4342 40.7727 174.7853 142 E 4.3236 8.8281 115.9559 59.3887 29.1196 179.1659 143 A 4.1587 7.7114 118.8567 54.6319 18.7650 179.2917 144 D 4.3970 8.0824 117.6507 57.7478 41.1343 178.6191 145 F 3.8180 8.0085 117.6955 60.7370 38.9775 177.2832 146 E 4.0608 8.3257 117.9620 58.8671 29.1688 178.7039 147 A 4.0595 7.5987 120.1749 54.9974 18.7341 179.3122 148 L 4.2376 7.7561 117.0836 58.0927 41.8148 179.7427 149 R 4.4566 7.9287 119.0562 58.8258 29.7412 178.9530 150 E 4.0420 8.0024 117.1571 59.1069 29.4223 178.0014 151 H 4.7507 8.0086 114.2847 55.3925 28.9910 176.0350 152 G 3.7933 8.0285 109.1222 45.3423 0.0000 174.0158 153 F 4.4628 7.7883 118.9035 56.8833 40.3017 174.0864 154 T 4.8237 8.1960 110.6152 59.7464 72.6833 174.8508 155 D 4.5556 8.5535 120.5592 57.3051 40.8014 178.8912 156 E 4.1065 8.1955 119.1465 59.3198 29.3533 178.6683 157 D 4.4847 8.2419 118.6129 57.4078 40.9339 178.7177 158 A 3.8220 8.0419 121.2239 54.5673 18.3276 179.3606 159 W 4.1559 8.4293 127.0004 60.9264 30.8367 177.6130 160 D 4.6208 8.4915 118.7177 57.7585 40.2601 179.1546 161 I 3.7294 8.0993 119.7288 64.5513 37.1974 178.4561 162 A 3.8653 8.3409 121.2676 54.9569 18.1483 179.5931 163 A 3.9316 8.6659 119.7934 55.1710 18.3718 179.9598 164 I 3.7728 7.9530 118.3222 64.8607 37.2494 178.6801 165 T 3.8258 8.1393 116.4409 66.5733 67.8204 176.2692 166 A 3.8509 8.2863 122.8477 55.2865 18.4279 179.5007 167 F 3.6626 8.5596 119.1809 61.3616 39.3422 177.4011 168 F 3.9065 8.5307 117.5416 59.8885 38.7110 177.8896 169 G 3.2870 8.0258 105.9302 47.4791 0.0000 175.6169 170 L 3.7792 6.8419 120.6785 57.7880 42.1413 178.6320 171 S 4.1228 7.1368 111.8091 61.4524 62.6479 175.2070 172 N 4.4661 8.7087 119.9263 56.6645 38.4556 177.9005 173 R 3.9140 7.6359 116.3169 56.5668 30.0784 178.5704 *175 A 4.1483 7.9165 122.6016 52.4026 20.5085 179.7229 176 N 4.3850 8.2336 113.1018 56.8577 38.9600 178.0434 177 T 3.9079 7.8516 113.9767 66.6371 68.6729 175.6964 178 I 4.0701 7.8353 112.6408 60.3765 38.3664 171.5054 179 G 3.9647 7.9492 119.0590 44.8513 0.0000 173.2991 *181 R 4.2083 8.4217 123.5134 55.1955 31.0200 173.0439 182 P 4.3483 0.0000 0.0000 62.2411 32.0687 175.9002 183 N 4.4395 9.2650 119.8097 53.8236 39.0486 175.4401 184 D 4.4919 8.9117 121.7024 57.8892 40.4328 179.1924 185 E 3.7864 7.6424 118.3261 59.3500 29.1093 179.1009 186 F 4.4278 7.4081 117.0052 60.7223 38.9581 177.2387 187 F 4.3499 8.0589 116.4919 58.8970 39.6652 175.1555 188 L 4.3578 7.7505 121.6486 53.2608 40.8242 176.5882 *190 G 4.0076 8.1988 111.6697 44.6141 0.0000 171.8574 191 R 4.0418 8.0166 118.8110 57.6774 30.4263 176.7911 192 V 4.2876 7.5137 117.2672 59.9146 32.8528 173.2836 193 P 4.2657 0.0000 0.0000 63.6878 31.8420 177.0847 194 K 4.2123 8.5391 121.5674 54.9027 31.7449 176.0569 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 5 A 8.26 4.32 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 6 H 8.61 4.16 0.00 3.27 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.51 0.00 2.35 2.07 0.00 3.84 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 2.02 1.97 0.00 8 I 8.31 4.17 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 1.02 0.00 0.00 9 S 7.46 4.74 0.00 3.87 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 10 R 8.71 4.06 0.00 1.83 2.18 0.00 3.27 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.00 11 Y 7.93 4.40 0.00 2.88 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 12 P 0.00 4.37 0.00 2.08 2.02 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 13 V 8.12 4.36 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 0.99 0.00 0.00 0.99 0.00 0.00 14 P 0.00 4.62 0.00 2.22 2.06 0.00 4.04 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 2.00 2.01 0.00 15 E 8.39 4.36 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 16 L 8.73 3.93 0.00 1.69 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.94 4.00 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 18 A 7.73 4.12 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 19 L 7.17 4.20 0.00 1.73 1.49 0.82 0.93 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 20 P 0.00 4.36 0.00 2.20 1.96 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 21 D 8.74 4.39 0.00 2.75 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 22 D 8.03 4.37 0.00 2.92 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 23 I 7.56 3.59 1.79 0.00 0.00 0.65 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 0.62 0.02 0.00 0.00 24 R 8.17 3.83 0.00 1.87 1.89 0.00 3.08 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 25 Q 8.30 3.92 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 26 R 7.86 3.90 0.00 2.15 2.28 0.00 3.18 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 27 I 7.84 3.45 1.95 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 1.72 0.75 0.84 0.00 0.00 28 L 8.23 3.99 0.00 1.85 1.95 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.12 3.98 0.00 2.16 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 2.31 2.49 0.00 30 V 7.43 3.51 1.57 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 -0.11 0.00 0.00 0.61 0.00 0.00 31 Q 7.65 4.04 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 32 D 7.81 4.36 0.00 2.81 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 33 K 7.74 4.05 0.00 2.13 1.76 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.32 7.81 34 A 8.42 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.07 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 36 F 7.21 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 37 V 8.19 4.09 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 0.82 0.00 0.00 0.95 0.00 0.00 38 P 0.00 5.03 0.00 2.89 2.72 0.00 3.41 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.09 0.00 39 N 10.61 4.76 0.00 3.27 3.09 0.00 0.00 6.65 8.29 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 40 V 8.19 3.35 1.68 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 0.83 0.00 0.00 0.49 0.00 0.00 41 F 8.44 4.34 0.00 3.35 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.22 4.17 0.00 1.76 1.84 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.13 4.18 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 1.38 0.00 0.00 44 L 8.04 3.98 0.00 1.88 1.72 -0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.97 4.32 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 46 H 7.86 4.37 0.00 3.31 3.51 0.00 5.89 0.00 0.00 0.00 0.00 7.08 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0.00 0.00 0.00 55 F 8.37 4.28 0.00 3.06 3.06 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 56 A 8.20 4.03 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 57 Y 7.99 3.60 0.00 2.97 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 0.00 0.00 0.00 58 H 7.40 3.30 0.00 2.97 3.48 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.26 4.52 0.00 2.88 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 60 A 7.70 4.14 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 61 L 7.25 4.31 0.00 1.52 1.70 0.71 1.15 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 *63 L 7.78 4.35 0.00 1.80 1.80 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.87 4.13 0.00 1.85 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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 1.00 0.00 0.00 1.01 0.00 0.00 91 V 7.44 3.19 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 -0.11 0.00 0.00 0.62 0.00 0.00 92 A 7.59 2.58 0.21 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 93 H 7.99 4.35 0.00 3.17 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.03 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.53 3.99 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 0.00 0.00 0.00 0.00 0.00 96 I 7.27 3.41 1.74 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 1.35 0.75 0.44 0.00 0.00 97 L 8.32 3.99 0.00 1.75 1.94 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.12 4.13 0.00 2.06 2.13 0.00 3.23 0.00 0.00 3.25 7.59 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 124 R 8.21 4.25 0.00 1.97 2.12 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 125 A 8.05 4.40 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 *127 L 7.96 4.04 0.00 1.65 0.98 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.51 4.51 0.00 2.90 2.79 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 0.00 129 F 8.13 4.06 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.86 3.71 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 0.00 131 L 7.99 3.79 0.00 1.66 1.67 0.49 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.55 3.82 0.00 1.68 1.65 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.32 7.81 133 V 6.98 3.40 1.85 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 0.62 0.00 0.00 0.06 0.00 0.00 134 C 7.89 4.11 0.00 2.99 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 0.00 135 K 7.95 4.36 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.54 7.81 136 A 8.24 4.75 1.14 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 0.00 0.00 137 S 8.02 4.03 0.00 3.91 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 0.00 138 H 8.26 4.16 0.00 3.28 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.51 4.35 0.00 1.93 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 2.03 1.59 0.00 140 V 7.69 3.78 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 0.85 0.00 0.00 0.73 0.00 0.00 141 N 9.40 5.26 0.00 2.96 2.93 0.00 0.00 6.62 7.40 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 0.00 142 E 8.83 4.32 0.00 2.07 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 2.47 2.35 0.00 143 A 7.71 4.16 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 0.00 144 D 8.08 4.40 0.00 2.80 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 0.00 145 F 8.01 3.82 0.00 3.21 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 0.00 146 E 8.33 4.06 0.00 2.35 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 2.36 0.00 147 A 7.60 4.06 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 0.00 148 L 7.76 4.24 0.00 1.80 1.71 -0.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.93 4.46 0.00 1.94 2.02 0.00 3.17 0.00 0.00 3.49 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 150 E 8.00 4.04 0.00 2.37 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 2.35 2.23 0.00 151 H 8.01 4.75 0.00 3.52 3.38 0.00 5.66 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 0.00 152 G 8.03 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 0.00 0.00 0.00 153 F 7.79 4.46 0.00 3.17 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 0.00 154 T 8.20 4.82 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 0.00 155 D 8.55 4.56 0.00 2.81 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 0.00 156 E 8.20 4.11 0.00 2.00 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 2.38 2.29 0.00 157 D 8.24 4.48 0.00 3.16 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 0.00 158 A 8.04 3.82 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 0.00 159 W 8.43 4.16 0.00 3.57 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.49 4.62 0.00 3.08 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 0.00 161 I 8.10 3.73 2.20 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 1.00 0.00 0.00 162 A 8.34 3.87 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 0.00 163 A 8.67 3.93 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 0.00 164 I 7.95 3.77 2.14 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 1.65 0.88 1.09 0.00 0.00 165 T 8.14 3.83 4.27 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 1.13 0.00 0.00 166 A 8.29 3.85 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 0.00 167 F 8.56 3.66 0.00 2.49 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 0.00 168 F 8.53 3.91 0.00 3.16 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 0.00 169 G 8.03 3.29 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 0.00 170 L 6.84 3.78 0.00 1.36 1.37 0.71 0.80 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 0.00 171 S 7.14 4.12 0.00 3.18 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 0.00 172 N 8.71 4.47 0.00 2.91 2.87 0.00 0.00 7.15 5.62 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 0.00 173 R 7.64 3.91 0.00 1.93 1.87 0.00 3.08 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 *175 A 7.92 4.15 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 0.00 176 N 8.23 4.38 0.00 2.85 2.88 0.00 0.00 7.13 6.57 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 0.00 177 T 7.85 3.91 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 0.00 178 I 7.84 4.07 2.02 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 1.31 0.78 0.80 0.00 0.00 179 G 7.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *181 R 8.42 4.21 0.00 1.93 2.06 0.00 3.41 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 182 P 0.00 4.35 0.00 2.11 1.72 0.00 4.01 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 2.27 2.00 0.00 183 N 9.27 4.44 0.00 2.62 2.66 0.00 0.00 7.13 8.08 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 0.00 184 D 8.91 4.49 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.79 0.00 1.16 1.52 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 1.78 2.10 0.00 186 F 7.41 4.43 0.00 2.93 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 0.00 187 F 8.06 4.35 0.00 3.12 3.16 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 0.00 188 L 7.75 4.36 0.00 1.76 1.59 0.94 0.92 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 *190 G 8.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 R 8.02 4.04 0.00 1.97 2.02 0.00 3.17 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 192 V 7.51 4.29 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 0.84 0.00 0.00 0.94 0.00 0.00 193 P 0.00 4.27 0.00 2.09 2.01 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 194 K 8.54 4.21 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.