NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9222 8.3544 109.7383 45.0794 0.0000 173.5312 4 R 3.9570 7.9042 119.7763 54.7096 30.7216 174.7270 5 K 4.2299 9.2613 125.4362 55.6277 33.8355 174.8306 6 P 4.4092 0.0000 0.0000 63.1010 32.9668 175.0508 7 I 4.9235 8.2157 122.2452 59.6890 40.3437 174.3024 8 I 4.7114 8.8980 128.7560 59.4432 39.5290 175.2166 9 G 4.2427 8.7431 114.8212 45.3350 0.0000 172.6375 10 V 5.1038 8.4262 122.5341 61.1407 34.3971 174.6864 11 M 4.8815 8.9167 126.5053 53.8727 36.2547 174.5720 12 G 4.4368 8.1802 107.5572 44.8984 0.0000 170.8821 13 P 4.5788 0.0000 0.0000 62.6097 33.2081 176.9494 14 G 3.8848 8.3749 109.3723 44.1431 0.0000 173.4803 15 K 3.7053 8.5148 118.1282 60.0613 32.2079 178.7153 16 A 4.0436 7.9759 121.5094 54.5638 18.5161 177.7216 17 D 4.9816 7.9121 113.6119 54.1308 41.6951 175.5269 18 T 4.6811 7.5312 115.9725 61.4998 71.0512 174.2014 19 A 4.3058 8.6364 129.4250 51.5574 19.4977 178.0531 20 E 4.0217 8.8603 120.2806 59.5522 29.3729 179.6153 21 N 4.3642 8.1883 116.5973 56.2026 37.1510 177.1989 22 Q 3.9853 8.1325 120.2430 58.5796 28.8095 178.5041 23 L 3.9861 7.8662 119.6257 57.7210 41.7337 179.6566 24 V 3.5597 7.8069 118.0268 66.3339 31.5532 177.7913 25 M 4.0270 8.2992 118.5133 58.5207 31.7314 178.6426 26 A 4.0097 8.3677 121.0572 55.1043 18.5627 179.1787 27 N 4.4233 8.2279 115.5066 56.9020 39.0687 176.7168 28 E 3.9303 8.2216 120.7121 59.0168 29.6213 178.4172 29 L 4.0186 8.4602 120.9694 58.1943 42.2224 178.9056 30 G 3.8179 8.3368 105.9478 48.0067 0.0000 175.4438 31 K 4.0683 8.0587 120.7895 59.5263 32.1303 179.4946 32 Q 4.0189 8.0069 118.0679 58.6202 28.7136 178.5990 33 I 3.7398 8.1512 121.0811 64.5170 37.1702 178.2739 34 A 3.9997 8.0116 121.3998 55.5633 17.9413 179.8466 35 T 3.7128 7.6059 113.3471 66.7304 68.5593 175.8644 36 H 3.9459 7.4560 115.3280 55.5187 28.4688 176.1647 37 G 3.8094 7.6641 109.3241 45.4099 0.0000 173.5897 38 W 5.1540 7.2610 118.1125 55.4094 30.9376 176.0531 39 I 4.3664 8.8309 124.1310 60.7786 38.2331 174.7482 40 L 4.8868 8.6045 129.3051 54.0438 43.8921 174.8277 41 L 5.1490 8.6920 127.9801 53.7605 44.8435 175.0981 42 T 4.6225 8.7235 120.0234 60.9222 71.5468 172.3708 43 G 3.9129 8.7591 110.2190 46.4014 0.0000 173.9652 44 G 4.0558 8.8840 109.8429 45.4645 0.0000 173.7219 45 R 4.3971 7.7684 120.3927 56.4480 30.0139 176.8811 46 S 3.8818 8.4044 108.9536 58.5733 60.4523 170.7340 47 L 4.5606 7.5195 116.9051 54.9538 44.7144 179.8349 48 G 4.3838 8.1052 115.7686 44.1981 0.0000 174.8217 49 V 3.6050 8.3901 123.6722 66.4528 31.1070 177.4526 50 M 4.0696 7.9612 117.5235 58.5597 31.8183 178.1151 51 H 4.2297 8.1790 118.0140 59.2275 30.1536 177.0030 52 E 3.8626 8.2740 120.2713 59.3130 29.2268 179.1289 53 A 4.2120 8.2350 120.9426 55.6015 18.5353 179.6608 54 M 4.0209 7.9908 117.1617 58.3865 32.0097 179.2127 55 K 4.0691 8.3171 119.0807 59.2052 32.3210 179.6545 56 G 3.5798 8.2109 105.8242 47.8302 0.0000 175.6422 57 A 4.1611 8.2092 123.7673 54.6519 18.3844 179.7011 58 K 3.9392 8.0154 118.0623 59.5150 32.0615 178.6572 59 E 3.9456 8.1246 118.5638 59.0016 29.6073 177.7775 60 A 4.3958 7.6607 117.4447 51.8489 18.6673 177.8833 61 G 3.7613 7.9957 106.1081 45.8694 0.0000 174.2096 62 G 4.0233 8.1869 107.3039 45.4009 0.0000 173.6160 63 T 5.0091 8.2932 116.4007 62.3424 70.5979 174.3355 64 T 5.1100 9.0161 115.4188 59.9096 72.4389 172.7799 65 I 4.8846 8.9708 124.9853 59.5497 40.4435 174.5299 66 G 4.3583 9.0379 114.8287 44.3503 0.0000 171.6914 67 V 4.9204 8.7251 126.2789 61.5311 33.5061 174.7034 68 L 5.1453 9.0685 127.1560 52.4268 45.4942 175.7962 69 P 4.2865 0.0000 0.0000 65.0772 32.8474 176.8018 70 G 3.8943 7.7156 104.1345 44.5604 0.0000 172.5648 *76 I 3.8712 8.3620 125.3344 60.9324 38.5563 175.7310 77 S 4.3599 8.3293 119.2006 58.0039 62.9464 174.5742 78 D 4.4779 8.5876 124.4980 56.5934 40.7479 177.6693 79 A 4.0753 8.2045 121.8840 53.8325 18.5615 177.5411 80 V 4.0032 7.4341 116.7523 62.2864 32.2067 175.4362 81 D 4.5189 9.0071 128.1795 56.8910 41.5951 176.9028 82 I 4.4214 7.8983 122.3457 58.8224 39.8917 172.8332 83 P 4.9893 0.0000 0.0000 61.9196 32.3262 175.8607 84 I 4.3486 8.8731 126.7294 59.6548 39.1637 174.8267 85 V 4.8373 8.4045 127.7540 61.5666 32.3335 175.1582 86 T 4.0603 9.0598 119.4940 61.1652 70.5393 175.6820 87 G 3.8464 7.7661 109.2230 46.7956 0.0000 172.6069 88 L 4.8063 7.6747 119.4341 51.9422 44.9616 175.8813 89 G 3.8603 8.4202 108.8222 46.3002 0.0000 173.3379 90 S 4.5622 8.4137 111.2224 57.9698 63.4088 175.8415 91 A 4.2320 7.8895 124.5857 54.2598 18.4727 177.8711 92 R 4.6322 7.1502 113.5545 54.6569 33.5402 175.8993 93 D 4.6412 8.3442 125.2596 53.3890 39.4509 175.4087 94 N 4.7394 7.8329 117.9842 53.4796 39.7886 174.4348 95 I 4.4542 8.1864 119.7612 60.6912 38.4504 174.8643 96 N 4.1122 8.7712 115.5903 54.7155 36.7935 176.4464 97 A 3.9769 7.9728 121.5077 55.1544 18.8458 180.2670 98 L 3.9924 7.9795 114.5838 57.4923 41.8135 178.6426 99 S 4.2861 8.0705 114.5807 60.6590 63.0731 175.0737 100 S 4.5191 7.7772 114.7457 57.8845 63.6107 174.1194 101 N 4.5167 8.9690 120.8189 55.9926 39.1239 175.9315 102 V 4.5202 7.4389 116.9239 61.0553 35.6811 173.3607 103 L 5.0800 8.4304 128.6373 53.3044 44.3667 174.8756 104 V 4.8373 8.9622 126.3193 61.0826 34.1103 173.8233 105 A 4.9367 8.9366 130.5113 50.6125 20.8264 175.7826 106 V 4.4798 8.6474 123.9217 62.0360 32.8021 176.5455 107 G 3.9557 9.8889 119.3046 44.1207 0.0000 170.9567 108 M 4.7029 8.1925 116.0689 53.5580 35.0742 174.5793 109 G 4.1346 8.2054 110.2746 42.3499 0.0000 172.3405 110 P 4.3879 0.0000 0.0000 65.5487 31.3604 179.2119 111 G 4.0844 7.9637 105.2733 47.6135 0.0000 175.5136 112 T 3.8543 7.9712 117.6760 66.3943 68.5400 176.2418 113 A 4.1774 8.4252 122.6140 55.1874 18.3045 179.5780 114 A 4.0275 8.1802 119.1891 55.4849 18.5060 179.7829 115 E 3.9084 8.1444 116.9761 59.3455 29.4165 179.7931 116 V 3.3907 7.8835 118.1373 65.8983 31.4740 177.9722 117 A 4.1154 8.1649 120.5074 55.2842 18.2278 179.6569 118 L 3.9684 8.4273 117.6773 57.5916 41.6251 179.4978 119 A 3.9512 8.1155 120.9063 55.2868 18.2947 179.7430 120 L 3.9278 8.1131 117.5911 57.7038 41.4275 179.5425 121 K 3.8865 8.2742 119.0499 59.3242 32.2031 177.8547 122 A 4.2039 7.7510 117.9328 51.4033 18.8878 176.9396 123 K 3.7855 7.9641 115.8921 57.5377 30.1036 175.4982 124 K 4.7583 7.8696 116.9131 53.8734 34.5835 175.6158 125 P 4.6993 0.0000 0.0000 62.8439 33.0295 175.1254 126 V 4.7872 8.9384 121.8419 61.1478 35.0431 174.1035 127 V 4.7676 8.8800 127.8075 61.3172 33.5528 174.1441 128 L 4.8433 9.1278 129.0810 53.1570 43.5094 175.2442 129 L 4.8292 8.9244 127.1667 53.5267 44.5660 176.7653 130 G 4.0560 8.8081 114.2826 46.7542 0.0000 173.0062 131 T 4.3600 7.7416 108.3623 60.1882 70.7321 174.7555 132 Q 4.4113 8.2182 121.6485 54.4120 31.2865 175.1599 133 P 4.4361 0.0000 0.0000 66.2106 31.1833 178.7713 134 E 3.9617 8.2177 116.4705 59.2729 29.3629 179.1377 135 A 4.0614 7.9702 120.1685 55.3049 18.6734 179.1797 136 E 4.0382 8.2053 117.1181 59.7716 29.5526 179.9782 137 K 4.0277 8.4805 118.6990 59.2459 32.1638 179.2755 138 F 4.1094 8.3184 120.9539 61.4498 39.4346 177.3143 139 F 3.8380 8.1428 117.4774 60.6217 38.4600 177.8914 140 T 3.9104 7.9219 114.9472 66.5733 68.2715 176.4916 141 S 4.1991 7.9464 115.4843 61.2293 62.9871 176.3394 142 L 4.2340 7.1821 121.8972 56.5369 41.7672 176.9113 143 D 4.2481 7.7921 118.0139 53.4120 42.1595 175.4212 144 A 4.0653 8.4660 131.2973 54.7282 18.7313 179.6444 145 G 3.3402 7.9769 103.5325 47.5146 0.0000 174.1756 146 L 4.5807 7.8307 118.3513 54.3988 43.6897 176.0038 147 V 4.6628 7.1941 119.6812 61.4170 33.1197 174.5394 148 H 4.8420 9.2858 125.6710 54.0124 31.3785 173.0499 149 V 4.5659 8.5221 123.8380 61.7448 32.4595 174.7150 150 A 4.8586 8.7784 129.7980 50.2162 20.4647 176.3992 151 A 4.1508 8.8492 124.8779 54.3069 19.3721 176.3738 152 D 4.6055 7.4928 113.5353 51.4126 42.3175 176.2485 153 V 3.5396 8.5551 117.2334 66.2210 31.3255 177.2978 154 A 4.1023 8.2176 120.1703 55.4590 18.0415 179.7093 155 G 3.5255 8.9261 104.1234 47.7399 0.0000 175.7229 156 A 4.0059 8.1764 123.2488 55.0833 18.3785 179.8146 157 I 3.7611 8.0520 118.1738 64.5225 37.1890 178.5188 158 A 4.0343 8.3144 121.5233 55.0332 18.1954 179.5431 159 A 3.8596 8.2220 119.3680 55.2056 18.4263 179.9257 160 V 3.3048 7.8265 116.7751 66.0440 31.6079 178.0420 161 K 3.9654 8.4039 119.6674 59.6170 32.1457 178.5003 162 Q 3.9528 8.1213 119.7517 59.0607 28.7832 177.9246 163 L 3.9208 7.6168 118.8297 58.0453 41.7720 179.3819 164 L 4.0076 7.7744 117.2248 57.5848 41.5613 179.1889 165 A 4.2010 7.9708 122.4421 55.1869 18.3364 178.6818 166 K 4.2627 7.7511 125.9253 57.1610 32.0150 180.7908 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.90 3.96 0.00 1.87 1.84 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 5 K 9.26 4.23 0.00 1.84 1.83 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.50 7.81 6 P 0.00 4.41 0.00 1.68 1.69 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 7 I 8.22 4.92 1.84 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 1.36 0.81 0.91 0.00 0.00 8 I 8.90 4.71 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.87 0.00 0.00 9 G 8.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.43 5.10 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 0.82 0.00 0.00 0.95 0.00 0.00 11 M 8.92 4.88 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 12 G 8.18 4.44 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 0.00 13 P 0.00 4.58 0.00 2.14 2.21 0.00 3.84 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 1.99 0.00 14 G 8.37 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 0.00 0.00 0.00 15 K 8.51 3.71 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.49 7.81 16 A 7.98 4.04 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 17 D 7.91 4.98 0.00 2.67 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 18 T 7.53 4.68 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 1.22 0.00 0.00 19 A 8.64 4.31 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 20 E 8.86 4.02 0.00 2.03 2.03 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 2.41 2.38 0.00 21 N 8.19 4.36 0.00 3.00 3.09 0.00 0.00 6.29 7.92 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 22 Q 8.13 3.99 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 23 L 7.87 3.99 0.00 1.87 1.73 0.93 0.87 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 24 V 7.81 3.56 2.23 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 1.04 0.00 0.00 0.99 0.00 0.00 25 M 8.30 4.03 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 26 A 8.37 4.01 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 27 N 8.23 4.42 0.00 2.96 2.95 0.00 0.00 6.88 6.93 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 28 E 8.22 3.93 0.00 2.14 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 2.31 2.37 0.00 29 L 8.46 4.02 0.00 1.88 1.87 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.34 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 0.00 0.00 0.00 31 K 8.06 4.07 0.00 2.03 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.68 7.81 32 Q 8.01 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 33 I 8.15 3.74 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.22 1.14 0.00 0.00 34 A 8.01 4.00 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 35 T 7.61 3.71 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 1.04 0.00 0.00 36 H 7.46 3.95 0.00 1.40 1.31 0.00 5.90 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 37 G 7.66 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 0.00 0.00 0.00 0.00 38 W 7.26 5.15 0.00 3.49 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 39 I 8.83 4.37 2.01 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 1.16 0.78 0.98 0.00 0.00 40 L 8.60 4.89 0.00 1.85 1.56 1.01 0.38 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 41 L 8.69 5.15 0.00 1.78 1.47 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.72 4.62 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 1.27 0.00 0.00 43 G 8.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.88 4.06 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 0.00 45 R 7.77 4.40 0.00 1.90 1.88 0.00 3.32 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 46 S 8.40 3.88 0.00 4.02 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 47 L 7.52 4.56 0.00 1.66 1.42 0.92 0.79 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 48 G 8.11 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 0.00 0.00 0.00 0.00 49 V 8.39 3.60 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 1.11 0.00 0.00 1.00 0.00 0.00 50 M 7.96 4.07 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 51 H 8.18 4.23 0.00 3.25 3.60 0.00 5.87 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 52 E 8.27 3.86 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 53 A 8.23 4.21 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 54 M 7.99 4.02 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 55 K 8.32 4.07 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.30 7.81 56 G 8.21 3.58 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 0.00 0.00 0.00 57 A 8.21 4.16 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 58 K 8.02 3.94 0.00 2.00 2.01 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 E 8.12 3.95 0.00 2.09 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 2.31 2.32 0.00 60 A 7.66 4.40 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 61 G 8.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.19 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 0.00 0.00 0.00 63 T 8.29 5.01 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 1.23 0.00 0.00 64 T 9.02 5.11 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 1.22 0.00 0.00 65 I 8.97 4.88 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.98 0.00 0.00 66 G 9.04 4.36 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 0.00 67 V 8.73 4.92 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 1.16 0.00 0.00 1.00 0.00 0.00 68 L 9.07 5.15 0.00 1.53 1.63 0.92 0.86 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 69 P 0.00 4.29 0.00 2.11 2.50 0.00 3.89 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 2.07 1.81 0.00 70 G 7.72 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 *76 I 8.36 3.87 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 0.59 0.92 0.00 0.00 77 S 8.33 4.36 0.00 3.90 3.78 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 78 D 8.59 4.48 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.20 4.08 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 80 V 7.43 4.00 2.21 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 0.81 0.00 0.00 0.95 0.00 0.00 81 D 9.01 4.52 0.00 2.86 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 82 I 7.90 4.42 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.92 0.00 0.00 83 P 0.00 4.99 0.00 1.94 2.00 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 84 I 8.87 4.35 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 1.12 0.89 0.91 0.00 0.00 85 V 8.40 4.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 86 T 9.06 4.06 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 1.21 0.00 0.00 87 G 7.77 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 88 L 7.67 4.81 0.00 1.61 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.41 4.56 0.00 4.01 4.09 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 91 A 7.89 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.15 4.63 0.00 1.72 1.77 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 93 D 8.34 4.64 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.83 4.74 0.00 2.68 2.73 0.00 0.00 7.09 7.94 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 95 I 8.19 4.45 1.87 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 1.41 0.92 0.98 0.00 0.00 96 N 8.77 4.11 0.00 2.85 2.86 0.00 0.00 6.93 7.97 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 97 A 7.97 3.98 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 98 L 7.98 3.99 0.00 1.63 1.75 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.07 4.29 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.78 4.52 0.00 4.19 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 0.00 101 N 8.97 4.52 0.00 2.48 2.77 0.00 0.00 6.65 7.69 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 0.00 102 V 7.44 4.52 1.89 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 2.12 2.16 0.00 111 G 7.96 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 0.00 112 T 7.97 3.85 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 113 A 8.43 4.18 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.18 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 0.00 115 E 8.14 3.91 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 116 V 7.88 3.39 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 0.08 0.00 0.00 0.71 0.00 0.00 117 A 8.16 4.12 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.43 3.97 0.00 1.69 1.73 0.94 0.94 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 0.00 119 A 8.12 3.95 1.32 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 0.00 0.00 0.00 120 L 8.11 3.93 0.00 1.84 1.72 0.99 0.85 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 0.00 121 K 8.27 3.89 0.00 1.82 2.03 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 122 A 7.75 4.20 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 0.00 123 K 7.96 3.79 0.00 1.90 1.90 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.52 7.81 124 K 7.87 4.76 0.00 1.74 1.66 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.33 7.81 125 P 0.00 4.70 0.00 2.07 2.17 0.00 3.67 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 1.99 1.90 0.00 126 V 8.94 4.79 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 127 V 8.88 4.77 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 0.99 0.00 0.00 0.86 0.00 0.00 128 L 9.13 4.84 0.00 1.60 1.61 1.06 0.09 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 0.00 129 L 8.92 4.83 0.00 1.69 1.63 0.91 0.87 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 0.00 130 G 8.81 4.06 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 0.00 131 T 7.74 4.36 4.33 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 1.36 0.00 0.00 132 Q 8.22 4.41 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 133 P 0.00 4.44 0.00 2.17 2.14 0.00 3.62 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 2.13 2.22 0.00 134 E 8.22 3.96 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 135 A 7.97 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.21 4.04 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 137 K 8.48 4.03 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 138 F 8.32 4.11 0.00 2.98 2.80 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 0.00 139 F 8.14 3.84 0.00 3.21 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 0.00 140 T 7.92 3.91 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 1.19 0.00 0.00 141 S 7.95 4.20 0.00 3.96 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 0.00 142 L 7.18 4.23 0.00 1.68 1.67 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.79 4.25 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.47 4.07 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 0.00 145 G 7.98 3.34 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 0.00 146 L 7.83 4.58 0.00 1.52 1.66 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.19 4.66 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 0.80 0.00 0.00 1.01 0.00 0.00 148 H 9.29 4.84 0.00 3.09 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.52 4.57 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 0.83 0.00 0.00 0.96 0.00 0.00 150 A 8.78 4.86 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 0.00 151 A 8.85 4.15 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 0.00 152 D 7.49 4.61 0.00 2.84 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 0.00 153 V 8.56 3.54 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 1.13 0.00 0.00 0.97 0.00 0.00 154 A 8.22 4.10 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 0.00 155 G 8.93 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.18 4.01 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 0.00 157 I 8.05 3.76 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.88 0.00 0.00 158 A 8.31 4.03 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 0.00 159 A 8.22 3.86 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 0.00 160 V 7.83 3.30 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 0.18 0.00 0.00 0.91 0.00 0.00 161 K 8.40 3.97 0.00 2.21 2.04 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.74 7.81 162 Q 8.12 3.95 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 163 L 7.62 3.92 0.00 1.67 1.61 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.77 4.01 0.00 1.66 1.64 -0.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.97 4.20 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 0.00 166 K 7.75 4.26 0.00 1.91 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.