NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.0533 8.2649 123.5527 51.8905 19.7190 177.0895 0 N 4.3983 8.6768 118.4613 54.5978 39.0424 173.6620 1 S 4.7792 8.8067 113.6469 56.4791 67.5224 173.4206 2 K 4.4993 8.5906 121.6825 55.0351 32.2841 175.9929 3 L 4.7716 8.5117 124.0789 52.9785 43.9920 176.1708 4 T 4.6090 8.0985 116.7956 59.8429 70.6497 173.3270 5 S 3.9675 7.9990 120.2532 58.1586 64.6797 173.8314 6 D 4.5118 7.0402 118.3993 53.2419 40.9502 176.2348 7 F 4.2226 7.2869 118.8312 60.2162 39.7112 176.9006 8 D 4.6458 8.0714 118.1108 54.9214 41.3383 175.7865 9 N 4.5293 8.2194 119.9354 52.5743 39.1728 173.7049 10 P 4.4605 0.0000 0.0000 66.1457 31.2055 178.4889 11 R 4.0147 8.5171 117.8975 58.3816 29.8015 178.7294 12 W 4.0834 8.2681 128.5770 60.5336 30.8093 178.0694 13 I 3.8246 8.2304 119.4921 64.5716 36.5601 178.5840 14 G 3.5574 8.3953 106.4790 47.3560 0.0000 175.8187 15 R 3.7687 7.5218 120.0880 59.8197 30.1919 178.1398 16 H 4.1883 7.3781 114.1883 58.1105 28.8867 177.4009 17 K 3.6147 8.1308 122.0478 59.1572 31.8195 178.3695 18 H 4.1366 8.4883 115.2442 56.6386 29.6135 177.2137 20 F 2.9408 8.3505 117.4812 60.3575 40.3422 177.4989 21 N 4.2956 8.1908 118.0858 56.1603 38.5303 176.4430 22 F 4.3087 8.2304 119.7492 61.0060 39.6082 176.3779 23 L 3.5608 7.6222 119.2987 57.0002 42.2669 177.2273 24 D 4.3379 7.4863 120.8950 52.5747 39.4020 177.1205 25 V 3.4999 7.3094 114.6732 63.7658 32.2579 177.2687 26 N 4.6507 7.9890 114.7811 52.1951 38.7988 174.2544 27 H 4.1060 7.8702 116.6663 57.3367 28.6885 175.2434 28 N 4.3512 8.1801 115.3387 54.2701 39.1296 177.1558 29 G 4.0803 9.9419 106.8033 45.1804 0.0000 172.6804 30 K 5.1661 7.4099 116.6588 55.6176 35.4450 175.1255 31 I 4.9226 8.8034 114.6325 59.2566 41.1779 174.1370 32 S 5.3640 8.4547 117.6545 55.4004 65.1442 174.0367 33 L 3.9437 8.5728 122.5101 58.1942 42.3414 178.0224 34 D 4.8242 8.3691 118.3028 57.6871 41.0317 178.4733 35 E 3.9306 7.9749 116.2124 56.8982 28.9503 178.8867 *37 V 4.0091 7.8221 121.2507 63.1237 33.6103 176.8242 38 Y 3.7180 8.1607 120.4943 60.4526 38.5899 177.8077 39 K 3.9675 8.3897 120.3229 59.5966 32.3378 178.4058 40 A 4.1938 8.0293 120.2365 55.6064 18.3627 179.7148 41 S 4.1366 8.0777 113.6724 61.3965 62.7892 176.2389 42 D 4.2320 8.2695 121.2712 57.4655 40.9364 178.3109 43 I 3.9152 7.7482 119.9907 64.9029 37.1603 178.9474 44 V 3.7514 7.8493 112.7896 64.1027 31.1717 178.8909 45 I 3.7939 7.9518 119.2163 64.0189 37.3210 176.9458 46 N 4.6973 8.2652 114.7459 53.9216 39.1580 175.6356 47 N 4.8755 8.3158 114.1439 53.3142 40.6780 175.3542 48 L 4.5804 7.9134 114.6260 53.9796 42.5511 176.7472 49 G 3.8525 8.4162 105.5272 45.8538 0.0000 173.9076 50 A 4.2250 8.0041 122.7543 51.9842 18.8904 179.3372 51 T 4.1174 8.8194 113.3745 60.9767 70.8178 173.9008 52 P 4.2443 0.0000 0.0000 66.0379 31.3955 178.8672 53 E 4.0331 8.1387 116.7340 59.4866 29.4472 179.3184 54 Q 4.0386 8.2210 117.9965 58.8415 28.6982 178.5519 55 A 4.0771 8.4195 122.2575 55.1581 18.3680 179.9075 56 K 3.9595 8.2249 117.0932 59.3633 32.1087 179.6165 57 R 3.8971 8.0266 119.0703 59.6763 30.0288 178.0074 58 H 4.1783 8.3456 118.0182 59.2238 29.8154 177.1143 59 K 3.9394 8.4169 121.6279 59.6325 32.0535 178.4186 60 D 4.3807 8.3826 119.0815 57.3313 40.7252 178.7783 61 A 3.9721 7.9413 121.1687 55.1004 18.4416 179.9109 62 V 2.8243 7.5350 116.7999 65.7202 31.4652 177.5142 63 E 3.8848 8.4599 119.3467 59.6116 29.4225 178.9066 64 A 3.9374 8.0216 120.4648 54.8823 18.1750 179.3187 65 F 3.8691 7.9777 118.3144 61.6622 39.8944 177.2959 66 F 4.1966 8.3671 117.3567 60.0578 38.6773 177.9966 67 G 3.6778 8.4189 106.1793 47.7345 0.0000 175.9669 68 G 3.4438 7.6976 106.5690 46.6666 0.0000 174.0891 69 A 4.0028 7.0959 122.5067 51.9607 18.9759 176.9614 70 G 4.1509 7.4344 105.4361 46.4496 0.0000 173.5623 *72 K 3.9099 7.4747 119.7260 56.0969 33.8771 175.5739 73 Y 4.5066 8.0378 119.0049 59.6766 38.1878 177.1370 74 G 3.9718 9.5871 112.1477 45.5299 0.0000 173.1295 75 V 4.4446 7.5688 119.5567 60.8710 34.4503 174.0509 76 E 4.6827 8.8451 127.1437 55.5284 30.9402 175.4446 77 T 4.6312 9.2462 123.2100 62.0340 70.4387 175.0604 78 D 5.3524 8.5972 126.0229 51.1708 41.4744 177.1680 79 W 3.5767 8.6643 127.7216 60.0447 30.5754 175.7551 80 P 3.7253 0.0000 0.0000 65.4738 30.7788 178.4732 81 A 3.9604 8.3284 119.4820 54.9798 18.1610 179.1861 82 Y 3.9988 7.8864 118.2451 61.0185 39.0084 177.9953 83 I 3.3755 7.2742 119.7636 63.4250 37.6837 177.4259 84 E 3.8480 7.7819 120.1178 59.2371 29.4301 179.0224 85 G 4.0368 7.9028 106.9982 47.1293 0.0000 175.6633 86 W 3.5611 8.1775 121.2169 59.1843 28.9753 178.6935 87 K 3.0412 8.0542 118.6324 59.0007 31.2603 179.5161 88 K 3.8425 7.5670 118.6026 59.2643 31.9571 178.7750 89 L 3.5426 7.7024 120.5070 58.2308 41.7445 178.8387 90 A 3.3017 8.0438 120.3542 55.3125 18.4092 179.6170 91 T 3.8313 8.0622 114.0916 67.0089 68.5909 176.5903 92 D 4.3033 8.1677 120.7871 57.3387 40.7444 178.7063 93 E 3.9226 8.2099 119.4478 59.4906 29.4414 179.5259 94 L 4.1465 8.0529 119.0284 57.4997 41.5499 179.4742 95 E 3.9861 8.2711 118.8577 59.2855 29.3506 179.3795 96 K 3.9515 8.1273 118.4894 59.6223 32.1550 178.5945 97 Y 4.1074 8.4685 119.8702 60.9071 38.5037 178.2437 98 A 3.9483 8.0500 120.1724 54.4348 18.5015 178.7061 99 K 4.2342 7.4686 114.1360 55.3674 32.5443 176.2781 100 N 4.1128 7.7791 115.4955 54.4996 36.5480 173.8621 101 E 4.7379 7.9884 116.0391 53.5503 32.0191 174.7926 102 P 4.3634 0.0000 0.0000 63.0424 32.1233 177.1004 103 T 4.5355 8.3439 113.2538 60.7576 71.8078 175.9772 104 L 4.1630 9.2120 122.5353 57.9854 41.5182 179.8261 105 I 4.0120 8.7192 118.9288 64.0088 37.9623 177.9328 106 R 3.8979 8.1421 119.3473 59.4466 29.9811 178.5702 107 I 3.7785 7.9330 119.6610 64.0652 37.0324 178.1779 108 W 4.4249 8.5475 129.3122 60.5434 30.5539 177.9628 109 G 3.5552 8.4297 106.0188 48.2058 0.0000 175.2998 110 D 4.4063 8.6499 121.5180 56.8031 40.4383 178.8211 111 A 4.0984 8.1405 121.3757 55.0588 18.3697 179.5153 112 L 4.0139 8.5000 119.1995 58.5088 42.1939 179.2351 113 F 4.0869 8.9460 118.1778 60.4729 38.5295 177.1064 114 D 4.3915 7.9813 116.8333 57.0589 40.9885 178.0936 115 I 4.0044 7.0288 119.5056 64.1437 37.4973 178.0364 116 V 3.9842 7.8129 117.8530 64.2822 31.6867 175.3664 117 D 4.6254 8.0555 119.5732 52.9130 40.6615 176.3238 118 K 3.8631 8.7828 129.6470 59.3717 32.2004 177.1514 119 D 4.5995 8.5911 116.0605 53.6991 41.4008 175.9358 120 Q 3.4206 7.7362 117.7609 57.7347 26.7889 173.9301 121 N 4.9126 8.6929 110.1586 52.8476 39.7755 175.4351 122 G 3.9771 9.5148 105.7051 45.9251 0.0000 173.0467 123 A 5.3835 8.2029 118.6383 50.3016 22.3514 176.5470 124 I 4.7937 8.6943 114.6540 59.1271 41.0725 175.5313 125 T 4.5721 9.0343 115.1682 60.9405 70.4218 175.4781 126 L 3.4996 8.3219 122.4875 58.2984 41.9115 178.4680 127 D 4.3315 7.9826 118.3067 57.3797 40.7534 178.5156 128 E 4.0350 8.1990 118.9041 59.0994 29.5003 179.1486 129 W 4.5498 8.5646 128.5428 60.4001 30.7950 178.2897 130 K 3.8386 8.5262 118.6201 59.2658 31.5255 179.1783 131 A 3.9737 7.9915 121.0954 55.1852 18.2121 179.1614 132 Y 4.0101 8.0264 118.2372 61.1530 38.9412 178.1057 133 T 3.1437 7.4312 110.6558 64.4393 68.5017 176.6332 134 K 4.1043 7.9531 121.6144 58.2440 32.0881 178.9663 135 A 4.0666 7.4828 119.9397 55.1395 18.4203 179.3255 136 A 4.0840 7.6285 118.4477 53.2082 18.4872 178.9630 137 G 3.9910 8.0203 104.3156 45.4189 0.0000 174.3358 138 I 3.0564 7.5215 119.3332 62.6541 38.1282 175.9073 139 I 4.5713 7.3414 120.1610 59.5167 40.1138 175.8073 140 Q 4.1541 8.7938 123.2659 57.1517 29.9172 176.7366 141 S 4.8109 7.5131 111.8277 56.7229 66.5170 175.2511 142 S 4.1566 8.4788 119.8315 61.7031 62.4266 176.8334 143 E 4.1666 8.0695 119.2160 59.4766 29.5169 178.5487 144 D 4.5266 8.0117 119.7480 57.3457 40.4145 178.3734 145 C 4.4102 8.0060 116.9766 63.0202 27.9807 176.0718 146 E 4.0707 8.5175 120.1998 59.2959 28.9604 179.1910 147 E 4.0146 8.0437 118.8128 59.5058 29.4745 179.2132 148 T 4.0353 7.6500 116.5087 66.1938 68.3513 176.5175 149 F 3.8735 8.3527 117.3315 59.8143 39.0285 177.3694 150 R 4.0503 7.5058 118.4711 59.3116 30.0045 178.2956 151 V 3.6394 7.6500 117.0253 65.0486 31.8868 176.2255 152 C 4.2566 7.0961 114.7178 58.6025 28.9585 173.0417 153 D 4.3961 8.4221 123.1815 54.2833 40.5809 176.7697 154 I 4.1984 8.0223 125.3369 60.1926 38.9728 175.6672 155 D 4.8061 8.3452 122.2762 52.2879 41.8688 176.5063 156 E 3.9033 8.9075 117.8609 60.2463 29.3579 178.2948 157 S 4.4362 8.1595 109.5126 58.2578 63.1520 174.0270 158 G 3.8913 8.0830 107.7867 46.9212 0.0000 173.5497 159 Q 4.9717 8.3155 117.3574 53.6411 32.4465 174.9714 160 L 4.3127 8.9060 124.7231 53.7915 42.8297 175.2393 161 D 5.1744 8.4619 126.7139 53.4417 41.8108 176.5669 162 V 3.0358 8.4985 124.4508 64.7234 31.8868 177.2753 163 D 4.4395 8.4488 120.1065 57.3327 40.8716 179.2556 164 E 4.1595 8.0542 116.9882 56.9598 29.1217 178.4766 *166 T 4.2201 8.0480 115.6205 63.1119 70.8349 176.2353 167 R 3.8122 7.8109 120.3490 59.6558 29.9475 178.5870 168 Q 3.9496 7.9685 117.6614 59.3568 28.6167 178.6147 169 H 4.2631 8.0612 116.7125 58.6325 28.8801 177.6642 170 L 4.1049 8.3254 121.3337 57.7896 41.1891 179.8427 171 G 3.7917 7.9302 105.1215 48.6339 0.0000 175.6372 172 F 4.0985 8.2516 122.3837 60.6294 39.5224 176.8476 173 W 4.8131 8.1676 116.9370 58.4402 29.3197 176.8604 174 Y 5.4702 8.1079 114.8541 58.4691 39.3645 175.8208 175 T 4.1348 7.8274 106.1995 62.0320 70.6006 173.2367 *177 D 4.5144 8.4519 117.6467 52.4950 42.7638 174.2027 178 P 4.3560 0.0000 0.0000 65.2325 31.6619 178.3087 179 A 3.9816 8.1504 121.7918 54.8636 18.0262 177.7855 180 C 4.6455 8.0049 111.8971 59.5332 28.5434 173.5336 181 E 4.1617 7.6502 120.5739 57.7737 29.5628 176.9932 182 K 4.1476 9.0409 120.1485 57.2072 29.4300 177.9061 183 L 3.6304 7.2899 123.4978 57.6910 42.1530 177.8604 184 Y 4.7116 7.5992 115.1773 57.3173 39.2463 176.4861 185 G 3.7880 7.9246 109.8123 47.0375 0.0000 175.9835 186 G 3.8001 9.0351 111.0754 46.2578 0.0000 174.0062 187 A 4.0647 7.9382 123.4180 54.2372 18.5610 178.2659 188 V 3.9968 7.4978 114.6571 60.1872 33.9146 173.2410 189 P 4.4557 0.0000 0.0000 63.0739 31.2868 176.0857 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 -1 A 8.26 4.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 N 8.68 4.40 0.00 2.89 2.93 0.00 0.00 6.76 6.68 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 1 S 8.81 4.78 0.00 4.00 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 2 K 8.59 4.50 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 3 L 8.51 4.77 0.00 1.66 1.57 0.91 0.97 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 4 T 8.10 4.61 4.20 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 1.14 0.00 0.00 5 S 8.00 3.97 0.00 2.72 3.02 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 6 D 7.04 4.51 0.00 2.52 2.40 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 7 F 7.29 4.22 0.00 2.94 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 8 D 8.07 4.65 0.00 2.72 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 9 N 8.22 4.53 0.00 3.20 2.98 0.00 0.00 6.82 7.22 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 10 P 0.00 4.46 0.00 2.36 2.38 0.00 3.82 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 11 R 8.52 4.01 0.00 2.09 2.05 0.00 3.15 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 12 W 8.27 4.08 0.00 3.56 3.56 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 13 I 8.23 3.82 2.06 0.00 0.00 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 1.90 0.97 1.24 0.00 0.00 14 G 8.40 3.56 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 0.00 0.00 0.00 15 R 7.52 3.77 0.00 1.76 1.82 0.00 2.77 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 16 H 7.38 4.19 0.00 2.82 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.13 3.61 0.00 1.37 1.41 0.00 0.77 0.00 0.00 1.03 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.21 7.81 18 H 8.49 4.14 0.00 3.32 3.49 0.00 5.91 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.35 2.94 0.00 3.12 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 21 N 8.19 4.30 0.00 2.85 2.84 0.00 0.00 7.06 7.02 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 22 F 8.23 4.31 0.00 2.82 3.15 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 0.00 0.00 0.00 0.00 23 L 7.62 3.56 0.00 1.47 1.40 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.49 4.34 0.00 2.06 2.25 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 25 V 7.31 3.50 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 0.57 0.00 0.00 0.80 0.00 0.00 26 N 7.99 4.65 0.00 2.62 2.77 0.00 0.00 7.04 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 27 H 7.87 4.11 0.00 3.12 3.26 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.18 4.35 0.00 2.85 2.83 0.00 0.00 7.25 7.65 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 29 G 9.94 4.08 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 0.00 0.00 0.00 30 K 7.41 5.17 0.00 1.84 1.84 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.60 7.81 31 I 8.80 4.92 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.50 0.00 0.00 32 S 8.45 5.36 0.00 4.03 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 33 L 8.57 3.94 0.00 1.40 1.35 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.37 4.82 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.97 3.93 0.00 2.08 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 0.00 2.23 2.19 0.00 *37 V 7.82 4.01 2.27 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 1.05 0.00 0.00 1.04 0.00 0.00 38 Y 8.16 3.72 0.00 3.37 3.09 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 0.00 0.00 0.00 0.00 39 K 8.39 3.97 0.00 1.96 1.84 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 40 A 8.03 4.19 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 41 S 8.08 4.14 0.00 3.83 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 42 D 8.27 4.23 0.00 2.81 2.83 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 43 I 7.75 3.92 2.20 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 1.08 0.00 0.00 44 V 7.85 3.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 45 I 7.95 3.79 1.97 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 1.52 0.53 0.90 0.00 0.00 46 N 8.27 4.70 0.00 3.01 2.88 0.00 0.00 6.94 8.69 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 47 N 8.32 4.88 0.00 2.86 2.85 0.00 0.00 6.79 7.46 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 48 L 7.91 4.58 0.00 1.78 1.70 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.42 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 50 A 8.00 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4.68 0.00 1.91 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 2.26 2.28 0.00 77 T 9.25 4.63 4.56 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 1.45 0.00 0.00 78 D 8.60 5.35 0.00 2.95 2.90 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 0.00 0.00 0.00 79 W 8.66 3.58 0.00 2.31 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.73 0.00 2.12 1.99 0.00 3.87 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 2.13 2.19 0.00 81 A 8.33 3.96 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 82 Y 7.89 4.00 0.00 3.39 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 83 I 7.27 3.38 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.33 0.00 0.00 84 E 7.78 3.85 0.00 2.04 1.99 0.00 0.00 0.00 0.00 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7.99 4.74 0.00 2.07 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 0.00 2.24 2.42 0.00 102 P 0.00 4.36 0.00 2.08 2.03 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 103 T 8.34 4.54 4.78 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 1.43 0.00 0.00 104 L 9.21 4.16 0.00 2.03 1.98 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.72 4.01 2.43 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 1.29 0.00 0.00 106 R 8.14 3.90 0.00 2.08 2.17 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 107 I 7.93 3.78 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.99 0.00 0.00 108 W 8.55 4.42 0.00 3.46 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 0.00 109 G 8.43 3.56 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 0.00 0.00 0.00 110 D 8.65 4.41 0.00 2.70 2.77 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 0.00 111 A 8.14 4.10 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 0.00 112 L 8.50 4.01 0.00 1.93 1.91 0.81 0.61 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 0.00 113 F 8.95 4.09 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 114 D 7.98 4.39 0.00 2.87 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 0.00 115 I 7.03 4.00 2.08 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 1.45 0.72 0.94 0.00 0.00 116 V 7.81 3.98 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 0.75 0.00 0.00 0.94 0.00 0.00 117 D 8.06 4.63 0.00 2.74 2.71 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 0.00 118 K 8.78 3.86 0.00 1.86 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.44 7.81 119 D 8.59 4.60 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 0.00 120 Q 7.74 3.42 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.11 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 121 N 8.69 4.91 0.00 2.69 2.80 0.00 0.00 6.87 7.36 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 0.00 122 G 9.51 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 0.00 123 A 8.20 5.38 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 0.00 124 I 8.69 4.79 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.89 0.08 0.00 0.00 125 T 9.03 4.57 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 1.23 0.00 0.00 126 L 8.32 3.50 0.00 0.80 1.37 0.52 0.94 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 0.00 127 D 7.98 4.33 0.00 2.72 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 0.00 128 E 8.20 4.04 0.00 2.25 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 2.39 2.33 0.00 129 W 8.56 4.55 0.00 3.53 3.40 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 0.00 130 K 8.53 3.84 0.00 1.99 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.66 7.81 131 A 7.99 3.97 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 0.00 132 Y 8.03 4.01 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 0.00 133 T 7.43 3.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 134 K 7.95 4.10 0.00 1.78 1.84 0.00 1.61 0.00 0.00 1.51 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.28 7.81 135 A 7.48 4.07 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 0.00 136 A 7.63 4.08 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 0.00 137 G 8.02 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 0.00 138 I 7.52 3.06 1.74 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 0.86 0.00 0.00 139 I 7.34 4.57 1.72 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 1.56 0.91 0.95 0.00 0.00 140 Q 8.79 4.15 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 141 S 7.51 4.81 0.00 4.02 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 0.00 142 S 8.48 4.16 0.00 3.87 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 0.00 143 E 8.07 4.17 0.00 2.12 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 0.00 2.28 2.41 0.00 144 D 8.01 4.53 0.00 2.86 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 0.00 145 C 8.01 4.41 0.00 3.16 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 0.00 146 E 8.52 4.07 0.00 2.21 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 2.25 2.45 0.00 147 E 8.04 4.01 0.00 2.20 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 2.49 2.52 0.00 148 T 7.65 4.04 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 0.54 0.00 0.00 149 F 8.35 3.87 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.51 4.05 0.00 1.78 2.13 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 151 V 7.65 3.64 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 0.76 0.00 0.00 0.96 0.00 0.00 152 C 7.10 4.26 0.00 2.69 2.52 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 0.00 153 D 8.42 4.40 0.00 2.61 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 0.00 154 I 8.02 4.20 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 1.02 0.00 0.00 155 D 8.35 4.81 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.91 3.90 0.00 1.96 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 2.32 2.37 0.00 157 S 8.16 4.44 0.00 3.99 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 0.00 158 G 8.08 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 0.00 0.00 0.00 0.00 159 Q 8.32 4.97 0.00 2.39 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 160 L 8.91 4.31 0.00 1.11 1.24 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.46 5.17 0.00 2.74 2.50 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 0.00 162 V 8.50 3.04 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 0.67 0.00 0.00 0.42 0.00 0.00 163 D 8.45 4.44 0.00 3.02 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 0.00 164 E 8.05 4.16 0.00 1.98 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 2.12 0.00 *166 T 8.05 4.22 4.35 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 1.26 0.00 0.00 167 R 7.81 3.81 0.00 1.94 2.05 0.00 3.06 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 168 Q 7.97 3.95 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 169 H 8.06 4.26 0.00 3.32 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.33 4.10 0.00 1.77 1.70 0.62 1.39 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 0.00 171 G 7.93 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 0.00 172 F 8.25 4.10 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 W 8.17 4.81 0.00 3.09 3.26 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 0.00 174 Y 8.11 5.47 0.00 3.32 3.11 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 0.00 0.00 0.00 0.00 175 T 7.83 4.13 4.38 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 1.29 0.00 0.00 *177 D 8.45 4.51 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.36 0.00 2.27 2.32 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 179 A 8.15 3.98 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 0.00 180 C 8.00 4.65 0.00 3.17 3.01 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 0.00 181 E 7.65 4.16 0.00 1.94 1.95 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 2.51 2.47 0.00 182 K 9.04 4.15 0.00 1.99 1.95 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 183 L 7.29 3.63 0.00 1.33 0.46 -0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 7.60 4.71 0.00 2.97 2.90 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 0.00 0.00 0.00 185 G 7.92 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 0.00 186 G 9.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 A 7.94 4.06 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 0.00 0.00 0.00 0.00 0.00 188 V 7.50 4.00 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 0.98 0.00 0.00 0.73 0.00 0.00 189 P 0.00 4.46 0.00 2.20 2.00 0.00 3.51 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.