NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4360 8.1576 122.0601 56.0681 33.3414 174.1962 3 P 5.4111 0.0000 0.0000 60.6846 33.8051 173.0628 4 A 5.1128 8.9161 122.3042 50.1650 23.1776 175.9265 5 L 4.3697 8.4520 122.7434 53.4517 44.0111 175.3646 6 V 4.4351 8.5293 127.0057 61.1591 33.8252 174.4617 7 V 3.9773 8.4830 129.7005 61.2835 32.9008 174.6322 8 V 4.2102 8.9522 130.1961 62.2843 32.5541 171.8252 9 D 4.3755 8.6075 133.4341 54.1275 41.6060 173.9586 *11 V 4.1069 7.8654 115.0421 60.9309 33.0278 176.0801 12 N 4.3079 8.7994 119.5034 56.7249 38.7340 177.6087 13 E 3.9194 8.1298 118.5553 58.5789 29.8468 178.0509 14 F 4.7312 7.9237 115.8512 58.1259 39.8085 176.9194 15 I 4.1673 7.7640 119.1398 62.7584 38.7423 176.1185 16 H 4.9024 8.5455 114.9601 55.7904 31.3432 176.0504 17 G 4.1447 7.3277 107.5654 45.0018 0.0000 176.0780 18 R 3.8720 8.8057 122.6913 58.5195 30.0085 177.0226 19 L 4.6898 7.6981 115.7235 54.0025 42.1360 176.2787 20 A 4.4375 8.1801 121.8065 52.1825 18.7021 178.0082 21 T 4.8021 7.9987 110.7893 59.0771 72.1959 172.4273 22 P 4.3868 0.0000 0.0000 65.5743 31.7709 177.9148 23 E 4.0270 8.4858 116.7332 59.6532 29.5451 179.3905 24 A 3.9558 8.0094 120.1671 53.5374 17.6837 179.8025 *26 K 4.3357 8.0203 122.1973 56.0514 34.1232 181.3122 27 T 4.2727 7.8108 108.2502 64.4102 68.6079 177.0971 28 V 3.6362 7.7764 121.4445 66.1141 31.6285 177.4324 29 G 3.7296 8.1657 104.7551 47.7497 0.0000 173.2185 30 P 4.2576 0.0000 0.0000 64.9345 31.3759 178.6386 31 A 3.8971 8.1462 119.3303 55.1945 18.2739 179.4842 32 R 3.8499 8.0792 117.2989 59.5335 30.1678 178.6176 33 K 3.9344 8.0681 119.3022 59.4484 32.3708 179.0652 34 V 3.6605 8.0216 118.6661 66.0352 31.5128 177.8816 35 I 3.7031 8.4312 122.3409 65.1118 36.9059 178.7540 36 E 4.0626 8.5001 119.4733 61.4680 29.6154 181.0968 37 T 4.1036 7.8896 110.6608 64.6190 68.8926 176.5869 38 F 3.8054 8.3524 120.2419 60.1675 38.8664 177.8053 39 R 4.0377 8.3472 120.0427 60.1547 29.7806 180.0890 40 R 3.9783 8.2201 118.9173 60.5968 29.3517 179.5174 41 S 4.7742 7.6641 108.9948 57.9287 62.6760 174.8666 42 G 3.9754 8.3118 108.4313 45.9976 0.0000 174.1223 43 L 4.4495 7.4360 119.0015 53.4948 42.7906 175.2981 44 P 4.5895 0.0000 0.0000 62.8612 32.8633 175.4035 45 V 4.6267 8.6064 122.8866 61.0340 34.7109 174.0858 46 V 4.9315 8.7059 127.7623 61.3935 34.5109 173.6111 47 Y 4.8012 9.5841 126.6772 57.1067 39.7951 175.0284 48 V 4.8053 8.5794 117.3980 59.7401 34.6434 174.3450 49 N 5.4689 8.9421 123.4956 50.9329 41.8196 173.9610 50 D 4.4776 9.4805 123.4143 55.0661 41.4048 177.9772 51 S 4.6164 7.9870 117.1873 57.4491 61.7707 173.1902 52 H 4.5947 8.7439 119.3497 55.4713 30.1167 175.3828 53 Y 4.9082 8.4682 120.2261 56.1106 39.3140 175.1989 54 P 4.3371 0.0000 0.0000 65.2112 31.5029 177.1628 55 D 4.9070 8.0054 114.6188 52.7465 39.9268 175.9484 56 D 4.5663 8.1930 120.4505 54.4872 41.4274 175.7367 57 P 4.2470 0.0000 0.0000 65.9540 31.2787 177.9116 58 E 4.2707 8.0251 114.2977 57.6943 29.8863 178.6108 59 I 3.8953 8.1011 124.5876 65.1596 36.9306 178.6045 60 R 4.0268 8.0871 120.2351 61.6856 29.0997 180.6554 61 I 3.9034 7.4999 118.5663 63.5594 37.4796 177.5666 62 W 4.7247 8.1778 116.8038 55.4544 30.1784 177.3192 63 G 3.9980 8.5796 107.4463 44.2055 0.0000 173.2109 64 R 4.1086 8.3446 117.8059 56.6186 30.4650 176.2534 65 H 4.6868 8.7080 114.9886 55.5831 30.8971 172.8590 66 S 3.0596 9.2231 113.4923 58.9601 61.8483 171.0202 *68 K 3.9452 8.4386 126.9137 57.5266 32.8595 174.2400 69 G 4.1360 9.0681 113.5550 45.4507 0.0000 173.2702 70 D 4.6070 7.7420 120.3897 53.7768 42.4966 177.3533 71 D 4.5269 8.5968 123.0129 55.3035 40.4093 178.9756 72 G 3.6598 8.3488 106.7379 48.9572 0.0000 174.9129 73 S 4.5589 7.8655 113.9450 58.1242 63.7081 174.6074 74 E 4.3611 7.6735 118.1958 54.6560 30.5936 181.1181 75 V 3.9550 8.0441 121.9974 62.1203 32.3155 176.0825 76 I 4.1864 8.0925 119.2808 60.3540 38.3439 176.8050 77 D 4.3612 8.7636 122.4773 57.4644 41.0728 178.3681 78 E 4.0405 8.4180 117.9900 58.8690 29.5281 177.7292 79 I 4.6277 7.2201 111.0773 59.5017 38.0124 175.5782 80 R 3.7099 7.6806 119.9887 57.4837 30.4414 173.9871 81 P 4.4379 0.0000 0.0000 62.5315 31.7772 176.2428 82 S 4.5592 8.8355 117.8632 56.3963 64.7274 173.5753 83 A 4.0385 8.2220 124.5545 53.9737 18.3513 176.2715 84 G 4.0696 8.8758 110.7299 45.6504 0.0000 174.1187 85 D 4.7351 7.2636 118.0100 54.6646 41.6410 176.1109 86 Y 4.4925 9.3313 120.7387 57.1362 39.8614 174.7545 87 V 4.8243 8.4730 122.7901 61.2616 34.0008 174.3491 88 L 4.8660 9.2524 128.2831 52.9825 44.7085 175.3995 89 E 4.9525 8.7094 122.3588 55.0257 30.9751 175.5866 90 K 4.7165 8.8964 122.5998 55.4575 36.1821 176.3383 91 H 4.6639 8.9697 115.9477 55.4726 29.9519 172.9690 92 A 4.9148 7.4607 120.5452 49.8521 22.4752 176.0495 93 Y 4.4829 8.3079 116.3292 61.4414 37.9882 177.8690 94 S 4.4306 8.2157 114.7524 57.8672 62.9881 174.9825 95 G 3.6143 8.7230 116.9102 47.7764 0.0000 174.2941 96 F 4.3622 8.4017 118.6715 59.1241 39.6839 175.3104 97 Y 4.2471 7.9207 122.6509 58.3224 38.5655 175.2817 98 G 3.6511 8.2194 115.0059 46.2261 0.0000 172.1726 99 T 4.6652 7.5230 108.6654 59.5998 71.4656 173.0892 100 N 4.9228 8.2951 115.8166 52.5423 38.0356 176.1009 101 L 3.8812 7.8178 123.2436 59.1386 42.2668 180.0499 102 D 4.5720 7.9906 118.1557 54.2186 40.6832 177.8824 *104 I 3.9305 7.9634 119.5771 60.9255 39.2667 178.2646 105 L 3.9785 7.8232 120.0051 57.9187 41.9233 179.8555 106 R 3.9653 8.6564 117.9320 59.1129 30.1681 178.9609 107 A 4.0648 8.0433 119.4088 54.5937 18.5215 177.5463 108 N 4.7928 7.9505 111.5706 52.7855 38.6728 175.2790 109 G 4.0288 8.1116 104.7365 46.4380 0.0000 174.6695 110 I 4.1990 8.0251 120.4053 61.2069 37.5991 175.7037 111 D 5.1294 9.1792 121.5204 53.2530 41.5098 175.2762 112 T 5.2468 7.9282 116.0630 62.2924 73.1898 172.8066 113 V 4.7625 9.1133 119.7348 59.6726 34.3831 174.8407 114 V 4.6743 8.7586 125.5297 61.2332 33.5226 174.1396 115 L 5.1764 8.9281 128.7032 52.9561 44.0088 175.6842 116 I 4.5697 8.6176 116.3198 59.5104 41.4800 173.2163 117 G 3.8104 7.8887 106.6323 44.1194 0.0000 172.5014 118 L 4.6911 8.5671 123.2545 52.9181 43.7820 175.9253 119 D 4.8466 8.1068 121.7885 51.1353 43.0789 175.8748 120 A 4.0608 8.1255 120.2063 54.8761 17.9433 178.8436 121 D 4.4148 8.1094 113.9561 55.4911 42.6005 176.7801 122 I 3.9222 7.7681 116.6730 61.8345 38.9764 177.4733 123 C 4.2434 8.5288 124.1166 63.2203 28.8634 175.3171 124 V 3.5509 7.7287 120.0402 65.9275 31.0621 178.1577 125 R 4.0000 7.9425 118.0186 59.7215 30.1473 178.0618 126 H 4.0338 8.5189 116.2902 59.1514 28.7261 177.7408 127 T 4.0410 8.2030 117.4485 66.6748 68.2877 176.3021 128 A 3.8601 8.0010 122.1906 55.0216 18.3975 179.2258 129 A 3.3392 7.3726 119.2498 55.5319 18.2744 179.7381 130 D 3.6249 7.5954 116.3801 56.8476 40.7356 178.8690 131 A 3.8424 7.6800 121.4596 54.9449 18.3306 179.2224 132 L 3.9153 7.7956 118.6874 58.8474 41.9954 178.5843 133 Y 4.3745 7.6111 115.0519 61.1140 37.7973 178.1870 134 R 4.3822 7.4925 116.1124 55.4620 30.4201 176.1012 135 N 4.2338 8.1090 115.3590 54.5651 37.9468 173.7522 136 Y 4.5209 7.5004 113.2512 57.5099 38.8360 175.8861 137 R 4.4997 9.0823 121.6408 56.0249 32.2927 175.5168 138 I 5.1346 8.3095 120.8508 59.7269 41.1079 174.5305 139 I 5.1338 8.8138 126.5861 59.4455 41.1255 174.4984 140 V 4.5801 8.3898 125.5572 61.1641 34.6364 174.8125 141 V 4.5058 8.2039 128.5546 61.2231 30.9070 175.7364 142 E 4.3653 9.1835 126.7584 59.3579 29.3572 179.6351 143 D 4.5323 8.1585 115.7727 54.3967 40.1946 176.1723 144 A 4.6548 8.4314 122.1386 51.5754 20.2568 176.0855 145 V 4.8394 7.9380 116.1632 60.4854 34.5897 174.6594 146 A 4.6429 8.0881 127.9727 49.9174 21.2816 176.2264 147 A 3.7621 8.2534 123.9180 51.8734 19.2223 175.4939 148 R 4.2629 8.6827 117.5224 57.3556 32.8391 176.8469 149 I 4.2177 7.9378 114.7266 60.8367 37.5391 177.6424 150 D 4.7962 9.1888 122.0136 52.2863 41.4983 174.4545 151 P 4.6693 0.0000 0.0000 64.9040 32.1015 176.1080 152 N 4.8239 8.7941 117.4665 53.2206 38.8973 177.2491 153 W 4.3498 8.4269 119.0576 59.7472 28.2831 177.2335 154 K 3.5573 6.8777 120.2760 59.2439 31.3209 177.9257 155 D 4.3177 7.9114 117.5248 57.2501 41.1196 177.5209 156 Y 3.6667 7.8276 119.9423 60.5795 38.9166 177.3357 157 F 4.4573 8.4410 119.1054 61.2055 38.7013 178.0199 158 T 4.2766 8.0429 112.2823 65.2061 68.4497 177.4689 159 R 3.9142 7.9894 122.7021 60.0862 29.5199 179.6971 160 V 3.9679 7.6068 116.8690 63.4162 32.1045 176.0049 161 Y 4.7931 7.6228 114.0258 56.7734 38.3139 176.0088 162 G 4.5667 8.3303 106.3658 45.5123 0.0000 173.6843 163 A 4.5932 7.6576 120.4957 51.9419 19.8488 177.4592 164 T 4.5960 8.6195 111.2246 60.1621 71.2738 173.6143 165 V 4.7482 8.3153 124.5895 61.4604 33.2949 174.6678 166 K 4.8987 9.0393 125.9496 54.8616 36.8965 175.0675 167 R 5.1287 9.4702 120.2738 54.3628 32.5033 178.0783 168 S 4.1366 9.2450 116.7941 61.5819 62.9253 175.5473 169 D 4.5159 8.0364 117.8723 54.3760 39.5501 175.7966 170 E 4.5224 7.8199 120.1905 55.4393 30.9198 176.0917 171 I 4.2020 7.9419 116.6711 61.1845 39.3083 174.6885 172 E 4.3434 8.9325 121.1977 55.7726 29.8632 173.1276 173 G 3.7128 7.7853 113.4586 46.6978 0.0000 174.0807 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 K 8.16 4.44 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 P 0.00 5.41 0.00 2.46 2.12 0.00 3.75 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 1.89 2.03 0.00 4 A 8.92 5.11 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 5 L 8.45 4.37 0.00 0.27 0.77 0.48 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.53 4.44 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 0.65 0.00 0.00 0.68 0.00 0.00 7 V 8.48 3.98 1.48 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 0.71 0.00 0.00 0.34 0.00 0.00 8 V 8.95 4.21 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 0.71 0.00 0.00 0.83 0.00 0.00 9 D 8.61 4.38 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 V 7.87 4.11 2.29 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 0.89 0.00 0.00 1.12 0.00 0.00 12 N 8.80 4.31 0.00 2.87 2.88 0.00 0.00 6.98 7.74 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 13 E 8.13 3.92 0.00 1.80 1.47 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 1.78 2.07 0.00 14 F 7.92 4.73 0.00 3.11 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 15 I 7.76 4.17 1.75 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 1.59 0.83 0.66 0.00 0.00 16 H 8.55 4.90 0.00 3.17 3.30 0.00 5.61 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 17 G 7.33 4.14 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 0.00 18 R 8.81 3.87 0.00 1.74 1.91 0.00 3.20 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 19 L 7.70 4.69 0.00 1.74 1.78 0.96 0.74 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 20 A 8.18 4.44 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.80 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 1.22 0.00 0.00 22 P 0.00 4.39 0.00 2.07 2.15 0.00 3.70 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 2.03 2.11 0.00 23 E 8.49 4.03 0.00 1.89 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 2.31 2.39 0.00 24 A 8.01 3.96 1.30 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 0.00 0.00 *26 K 8.02 4.34 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 27 T 7.81 4.27 4.32 0.00 0.00 0.00 0.00 0.00 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 28 V 7.78 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.91 0.00 0.00 29 G 8.17 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 0.00 0.00 0.00 30 P 0.00 4.26 0.00 2.24 2.32 0.00 3.74 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 2.25 2.18 0.00 31 A 8.15 3.90 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 32 R 8.08 3.85 0.00 1.91 2.15 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 33 K 8.07 3.93 0.00 1.90 2.01 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 34 V 8.02 3.66 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 0.91 0.00 0.00 0.99 0.00 0.00 35 I 8.43 3.70 2.04 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 1.17 0.65 0.95 0.00 0.00 36 E 8.50 4.06 0.00 1.96 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 2.25 2.20 0.00 37 T 7.89 4.10 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 1.30 0.00 0.00 38 F 8.35 3.81 0.00 3.30 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 39 R 8.35 4.04 0.00 2.11 2.02 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 40 R 8.22 3.98 0.00 1.89 1.86 0.00 3.25 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 41 S 7.66 4.77 0.00 3.78 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 42 G 8.31 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.44 4.45 0.00 1.65 1.89 0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.59 0.00 2.09 2.05 0.00 3.82 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 2.15 2.16 0.00 45 V 8.61 4.63 2.29 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 0.77 0.00 0.00 1.00 0.00 0.00 46 V 8.71 4.93 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 0.85 0.00 0.00 0.80 0.00 0.00 47 Y 9.58 4.80 0.00 2.82 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 48 V 8.58 4.81 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 0.62 0.00 0.00 0.88 0.00 0.00 49 N 8.94 5.47 0.00 2.56 2.67 0.00 0.00 6.58 8.16 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 50 D 9.48 4.48 0.00 2.58 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 51 S 7.99 4.62 0.00 3.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.74 4.59 0.00 3.10 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.60 3.62 0.00 2.79 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 0.00 0.00 0.00 131 A 7.68 3.84 1.48 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 0.00 0.00 132 L 7.80 3.92 0.00 1.85 1.93 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.61 4.37 0.00 3.00 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 0.00 134 R 7.49 4.38 0.00 1.98 1.95 0.00 2.62 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 135 N 8.11 4.23 0.00 2.72 2.69 0.00 0.00 7.10 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.50 4.52 0.00 3.14 2.94 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 0.00 137 R 9.08 4.50 0.00 1.80 1.90 0.00 3.28 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 138 I 8.31 5.13 1.99 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 1.41 0.85 0.97 0.00 0.00 139 I 8.81 5.13 1.90 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 1.15 0.74 0.96 0.00 0.00 140 V 8.39 4.58 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 0.77 0.00 0.00 0.44 0.00 0.00 141 V 8.20 4.51 2.04 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 0.96 0.00 0.00 0.91 0.00 0.00 142 E 9.18 4.37 0.00 2.45 2.34 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 2.57 2.36 0.00 143 D 8.16 4.53 0.00 2.84 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 0.00 144 A 8.43 4.65 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 0.00 145 V 7.94 4.84 1.83 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 0.49 0.00 0.00 0.80 0.00 0.00 146 A 8.09 4.64 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 0.00 147 A 8.25 3.76 1.07 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 0.00 0.00 148 R 8.68 4.26 0.00 1.56 1.71 0.00 3.10 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 149 I 7.94 4.22 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 1.30 0.90 0.91 0.00 0.00 150 D 9.19 4.80 0.00 2.55 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 0.00 151 P 0.00 4.67 0.00 2.27 2.23 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 152 N 8.79 4.82 0.00 2.95 2.88 0.00 0.00 6.57 8.51 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 0.00 153 W 8.43 4.35 0.00 3.67 3.33 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 0.00 154 K 6.88 3.56 0.00 0.79 1.44 0.00 1.43 0.00 0.00 1.36 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 0.88 7.81 155 D 7.91 4.32 0.00 2.71 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 0.00 156 Y 7.83 3.67 0.00 3.09 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 0.00 157 F 8.44 4.46 0.00 3.49 3.23 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 0.00 158 T 8.04 4.28 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 1.36 0.00 0.00 159 R 7.99 3.91 0.00 1.93 1.88 0.00 3.25 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 160 V 7.61 3.97 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 0.00 0.00 0.35 0.00 0.00 -0.12 0.00 0.00 161 Y 7.62 4.79 0.00 3.41 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 0.00 162 G 8.33 4.57 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 0.00 163 A 7.66 4.59 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 0.00 164 T 8.62 4.60 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 1.24 0.00 0.00 165 V 8.32 4.75 2.05 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 0.79 0.00 0.00 0.91 0.00 0.00 166 K 9.04 4.90 0.00 1.67 1.67 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.55 7.81 167 R 9.47 5.13 0.00 1.87 1.82 0.00 3.14 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 168 S 9.24 4.14 0.00 3.98 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 0.00 169 D 8.04 4.52 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 0.00 170 E 7.82 4.52 0.00 2.09 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 2.29 2.24 0.00 171 I 7.94 4.20 1.84 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 1.26 0.17 0.93 0.00 0.00 172 E 8.93 4.34 0.00 2.01 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 2.21 1.87 0.00 173 G 7.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.