NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4407 8.3149 121.7840 56.2408 33.5215 174.7733 3 I 4.5170 8.3737 124.5594 59.1909 41.0263 173.1373 4 D 5.1092 9.6356 128.3605 54.2787 42.3769 175.6178 5 I 4.3217 8.2876 122.4582 60.4685 41.2286 176.3578 6 L 3.8384 8.4246 124.6144 55.7461 39.6833 174.6118 7 D 4.7672 9.1158 117.6268 56.2731 40.2822 178.1408 8 K 4.5078 8.4831 115.1973 55.6997 34.4699 175.9662 9 G 4.1709 8.0571 108.5961 45.4083 0.0000 172.6147 10 F 5.3485 7.8373 112.3873 56.1624 41.7894 173.2224 11 V 4.9603 8.9137 119.4424 61.2309 34.5863 173.7251 12 E 4.9964 9.6063 128.8116 54.1541 32.8463 174.1583 13 L 4.2433 8.6646 129.1248 55.0775 42.1890 176.1231 14 V 3.9300 8.4228 127.0856 64.9088 32.7002 175.0077 15 D 4.3448 7.3989 116.7409 54.3660 44.3906 174.9882 16 V 4.4830 7.1250 119.5110 61.8530 33.3095 172.3954 *18 G 4.1753 8.6120 106.7378 46.1305 0.0000 169.9590 19 N 4.7528 7.8006 113.2835 51.0708 39.2574 173.9632 20 D 4.4931 8.8008 115.9507 58.3490 40.7102 178.4568 21 L 4.2019 8.3078 118.5060 56.9941 41.6369 179.4690 22 S 4.1214 8.4158 116.0642 61.2665 62.7268 176.2554 23 A 4.1295 7.8347 123.6565 54.6767 18.0837 179.9588 24 V 3.5060 7.5995 116.4413 66.3186 31.7916 178.2591 25 R 3.8915 8.3095 117.9790 59.2622 29.8856 178.9992 26 A 3.8424 7.9390 120.1845 54.9733 18.1216 179.4903 27 A 3.9081 7.8341 118.3332 55.2005 18.5627 179.4921 28 R 4.0368 7.8947 114.3386 55.7237 31.4481 176.4774 29 V 3.2545 7.3715 116.9544 63.3086 30.0154 172.2705 30 S 4.5648 8.3435 115.1086 58.7725 67.3995 171.7092 *31 F 3.6823 8.6643 126.1186 56.6811 33.9846 175.6915 *37 D 4.3912 8.8880 127.1880 54.7925 41.8420 173.3389 38 E 4.0826 8.5230 128.3029 59.2871 30.0404 178.2442 39 E 3.8386 8.0385 116.9695 59.1956 29.3236 179.0219 40 R 3.9648 8.5947 119.4194 58.7428 30.0496 178.6090 41 D 4.4304 7.6206 118.4171 57.3381 40.9004 178.9450 42 R 3.7393 7.4371 118.3646 59.2322 29.8301 178.6042 43 H 4.0924 8.0510 117.9599 59.0207 29.7354 177.1664 44 L 4.0295 7.6526 121.7210 58.1632 41.7306 178.9888 45 I 3.9745 7.7241 118.7847 64.6421 37.1833 178.0138 46 E 4.1865 8.3492 118.5141 59.3981 29.5503 178.4224 47 Y 4.1044 8.2483 119.7802 60.5063 38.7455 178.6148 48 L 4.4246 8.3008 117.1035 55.4641 41.2737 178.7569 *50 K 3.9001 7.9703 122.1220 56.3981 33.5760 176.0027 51 H 4.4335 7.7676 112.6804 54.9523 28.5449 175.2401 52 G 3.8776 7.9392 106.1668 46.9056 0.0000 174.6614 53 H 4.7402 8.2389 118.8829 54.5312 27.4978 174.9489 54 E 5.0575 8.4514 122.4656 56.4034 30.9288 178.3082 55 T 4.1984 8.0535 112.0223 63.9613 68.6214 174.1853 56 P 4.4318 0.0000 0.0000 65.2071 30.8039 177.8967 57 F 4.5633 7.9831 115.2409 59.0113 38.9987 176.6374 58 E 4.2948 8.6600 118.9174 57.9566 29.0645 177.2153 59 H 4.7883 7.6948 115.3912 55.4096 29.0948 174.3771 60 I 4.5355 7.4874 120.5985 59.4622 39.8505 174.8753 61 V 4.8152 8.0080 125.4091 61.0786 35.3087 173.9340 62 F 4.9306 8.9852 124.1393 55.8243 43.2840 174.1581 63 T 4.8656 8.3423 117.5364 61.9426 71.5585 173.2058 64 F 5.2140 9.7013 125.9135 55.8376 42.8869 174.1649 65 H 5.0138 9.4586 121.3445 54.5305 32.0251 172.7291 66 V 4.5116 8.3779 126.3050 60.6288 34.6426 174.2166 67 K 4.5949 8.3139 127.9924 54.5750 34.3908 174.5396 68 A 5.5163 8.6535 128.0884 49.2497 23.2499 173.6055 69 P 4.2316 0.0000 0.0000 61.9730 32.3697 177.9164 70 I 3.4453 8.5630 123.4859 64.7047 37.0495 178.8851 71 F 4.3490 8.1907 115.2093 59.8368 37.4977 177.7886 72 V 3.4143 6.4447 118.0488 65.4247 31.3731 177.5955 73 A 3.7255 7.6952 120.7297 55.1826 17.8908 179.7333 74 R 3.6476 7.9887 115.5510 59.4827 30.4936 179.0670 75 Q 4.1471 7.7060 116.3674 58.5757 28.7047 178.4744 76 W 4.3038 8.4041 129.4709 60.6347 30.6448 177.6577 77 F 3.6672 8.6887 115.2220 58.8749 38.3058 177.0151 78 R 4.3898 7.7966 117.4219 57.2685 30.1547 176.2586 79 H 4.7078 8.0808 116.5225 54.6737 27.8954 175.3411 80 R 4.2499 8.5851 124.8207 58.8256 30.5714 178.2619 81 I 4.1113 7.6471 119.6025 58.2802 35.4750 173.5791 82 A 4.3654 7.0195 123.3577 51.7027 22.4847 175.8752 83 S 4.8524 8.2632 114.8537 57.1357 66.0225 173.6340 84 Y 5.7624 8.4922 119.6763 55.4973 42.2286 175.0554 85 N 4.9334 8.8920 118.9648 52.3309 42.3638 173.1891 86 E 5.2374 8.9034 125.0166 54.3237 31.6857 175.3464 87 L 4.2510 8.7043 127.2974 55.7279 42.3240 176.0333 88 S 4.4680 8.9373 118.4301 61.2353 64.7081 174.7117 89 G 4.3678 8.3731 108.2515 45.8510 0.0000 175.2465 *90 R 4.2821 7.5926 117.1867 57.4405 29.8099 182.3044 91 Y 4.8648 7.8117 112.8458 59.0233 40.6026 176.1392 *92 S 4.7124 7.8303 116.7151 56.2369 66.5266 179.0303 *93 K 4.4704 8.5514 122.1715 55.1078 32.1134 177.3605 94 L 4.6558 8.2488 119.9889 53.1241 43.6071 176.1331 95 S 4.6779 8.0799 116.2526 56.5076 65.0189 173.1730 96 Y 4.3641 8.3615 121.2526 56.1553 39.4115 174.7443 97 E 4.9373 7.9782 123.2192 54.4424 34.2028 174.8711 98 F 5.4055 8.9656 119.3892 55.8268 43.1818 174.0729 99 Y 4.9832 8.9560 123.7783 56.7438 39.1017 175.0604 100 I 4.0846 8.5294 129.0684 58.5981 38.0047 174.2192 101 P 4.1031 0.0000 0.0000 62.5368 31.9820 176.4537 102 S 4.6542 8.2786 114.8375 56.4681 64.8330 173.3613 103 P 4.2231 0.0000 0.0000 65.8441 31.4602 178.7440 104 E 3.9479 8.2051 117.2606 59.1829 29.5586 178.9465 105 R 3.3875 7.7164 118.2981 58.6620 30.0550 176.8593 106 L 4.4957 7.5385 115.4092 54.2965 42.1317 176.3618 107 E 4.0771 8.0104 120.1537 57.4318 29.8678 178.4659 108 G 3.8588 8.6803 107.6214 45.7456 0.0000 173.2098 109 Y 4.5149 7.4378 116.8835 55.9133 39.6839 175.4829 110 K 4.3169 8.7351 125.0557 55.7462 30.8866 176.1948 111 T 4.7005 8.0999 114.2412 59.6572 71.0801 175.6450 112 T 4.1190 8.5907 120.4547 65.7124 68.8122 174.5449 113 I 4.4430 6.8168 121.0006 58.2984 39.1540 173.8184 114 P 4.3264 0.0000 0.0000 62.3305 32.1971 175.1617 115 P 4.2036 0.0000 0.0000 66.2451 31.3269 178.8179 116 E 3.9853 8.2066 116.3118 59.3337 29.2973 179.1424 117 R 4.0072 8.2657 119.0034 58.7221 30.1365 178.7174 118 V 3.5404 7.5338 117.9966 66.1389 31.6502 177.8895 119 T 3.7923 7.8981 115.5142 66.5287 68.2947 176.1272 120 E 3.9000 8.0347 120.9483 59.3599 29.7528 179.0816 121 K 3.9801 8.1725 118.4840 59.4026 32.0500 179.4862 122 I 3.6522 7.7870 120.1066 64.4987 36.9678 178.5993 123 S 4.0712 8.1252 116.0085 61.3815 62.5717 176.2722 124 E 3.8681 8.1171 121.9005 59.4693 29.3361 178.9565 125 I 3.6335 7.5615 119.4395 64.3625 37.1249 178.4437 126 V 3.1973 7.6054 119.0057 65.9091 31.1075 177.5333 127 D 4.2581 8.1109 117.5844 57.4547 41.1484 178.4501 128 K 3.9544 8.1903 118.7937 59.2089 32.0292 179.2964 129 A 3.9873 8.7479 122.1049 55.2654 18.3583 178.9199 130 Y 4.2591 8.0943 118.1225 61.1996 38.8328 178.6724 131 R 3.7404 8.2936 119.0469 59.5211 30.0893 179.2024 132 T 3.8578 8.1071 115.6093 66.5186 68.3045 176.0177 133 Y 4.0711 7.9508 121.4417 60.8346 38.8116 178.1955 134 L 3.4467 7.6443 119.7861 57.4294 41.6225 179.0483 135 E 4.0541 8.2142 120.9672 58.6483 29.4946 179.0240 136 L 3.8957 7.8911 118.8305 57.7371 41.7096 179.3051 137 I 3.7472 7.3354 121.0942 63.9683 36.9031 178.2135 138 E 4.0500 8.2441 119.3506 59.5239 29.0681 178.9527 139 S 4.5352 7.4859 111.8592 58.8955 63.0145 174.9995 140 G 3.8687 8.2333 110.8319 45.1707 0.0000 173.6117 141 V 3.8536 7.8808 120.7389 60.9268 32.2822 173.8812 142 P 4.4254 0.0000 0.0000 63.0334 32.7689 177.3458 143 R 4.0280 8.7958 120.2575 59.7371 29.8422 178.9112 144 E 3.9706 8.2623 115.7329 59.1462 29.7630 178.8634 145 V 3.8977 7.5974 118.0083 65.2596 32.1585 177.5064 146 A 4.1246 8.2640 121.0119 55.2441 18.3076 179.6213 147 R 4.0191 8.6879 114.4566 58.5452 29.1790 178.4531 148 I 3.9401 7.5938 112.8451 62.9857 37.6661 177.3958 149 V 4.0342 7.4709 112.5624 61.1247 32.2479 176.2606 150 L 4.3099 7.2576 119.8102 53.7426 42.3580 175.2580 151 P 4.6427 0.0000 0.0000 62.1793 32.4827 177.0549 152 L 4.2931 8.5185 119.0097 57.1354 42.4347 178.0270 153 N 5.0646 8.3751 115.8358 52.8718 38.8572 174.5850 154 L 4.1129 8.1222 123.6288 55.5897 43.2160 175.6389 155 Y 4.6297 8.5954 124.7861 58.0874 38.8822 174.6284 156 T 4.7529 9.2386 117.4242 60.3820 71.8843 172.3110 157 R 5.3974 8.3482 121.3163 54.6002 34.6531 174.4769 158 F 5.6264 8.8129 115.7142 56.1055 42.0579 172.8258 159 F 5.3485 9.4077 118.7388 56.0010 41.3973 174.9562 160 W 5.4759 9.4494 132.2786 56.1413 33.9389 173.6853 161 T 5.4990 8.8691 124.2058 60.8679 70.6959 173.7266 162 V 4.5193 7.6053 124.8563 59.9607 35.0748 174.3947 163 N 5.0590 8.5521 119.9897 51.7391 38.7205 175.8377 164 A 3.7660 8.5656 120.8743 55.0235 18.2971 179.8597 165 R 3.9372 7.9673 116.0987 59.8229 30.6538 178.2626 166 S 4.3207 8.7875 113.3323 61.0047 62.2870 176.3220 167 L 4.0744 7.7191 120.9208 55.5203 41.5106 177.9852 *169 N 4.7233 8.1505 117.7144 53.0786 40.8623 176.0166 170 F 4.0617 8.4377 119.7886 61.3556 39.3027 177.1792 171 L 4.0212 8.3577 118.6360 57.7506 41.2276 179.0851 172 N 4.4762 8.4714 115.3725 56.0409 38.5806 176.4326 173 L 4.3102 7.5799 118.8410 56.2024 42.2229 178.3598 174 R 4.1074 7.9365 117.0639 56.2387 32.2270 176.5756 175 A 4.6377 7.7518 124.6003 50.0138 17.6561 175.5014 176 D 5.0770 7.2732 121.2386 51.8068 44.9106 176.2018 177 S 4.2882 9.1920 120.0112 61.4333 63.0462 175.3355 178 H 4.3086 8.4746 116.9350 57.2650 28.8166 175.5319 179 A 4.3628 7.5999 122.1970 50.8651 19.5132 177.5025 180 Q 4.1663 8.4870 120.4672 55.8199 30.8715 176.9975 181 W 4.3222 9.1542 135.0000 60.9928 30.1569 177.8558 182 E 3.7678 8.6435 117.5801 59.7033 28.9318 179.2549 183 I 3.7640 7.7547 117.7376 63.9012 37.9427 177.6660 184 Q 4.0925 7.6910 120.5382 58.4077 28.5082 178.7169 185 Q 3.6554 7.4294 118.8294 59.1531 28.7637 178.7017 186 Y 3.9144 7.6636 116.3164 60.7959 37.8650 178.1034 187 A 4.1047 8.2433 122.1479 55.1006 18.4499 179.6684 188 L 3.9264 8.2452 117.6726 57.8870 41.7946 179.6220 189 A 3.9952 7.7975 120.2585 55.0931 18.2380 179.7769 190 I 3.5079 8.0265 118.3671 64.4381 37.1762 178.3757 191 A 4.0789 8.3900 122.0291 55.1612 18.1088 179.5937 192 R 3.5962 7.9584 116.9546 59.7352 30.2152 178.8721 193 I 3.7219 7.6528 119.2583 64.2640 36.9963 178.1998 194 F 4.2241 8.3323 121.7007 61.0640 38.9390 177.1174 195 K 3.3252 7.5868 118.5204 59.3983 31.9982 178.2411 196 E 4.0216 7.9417 117.5581 59.2005 29.4163 178.9482 197 K 4.3309 7.9099 116.9468 57.3632 34.2060 177.0602 198 C 4.9229 8.1705 116.4587 56.4240 28.9517 172.6217 199 P 4.4069 0.0000 0.0000 65.7427 31.2149 178.8116 200 W 4.4356 8.2299 118.1144 59.9684 29.0681 178.4583 201 T 4.0586 8.7698 116.0134 66.6787 67.9216 176.5134 202 F 4.1158 8.5426 122.8908 61.1759 39.3422 176.8928 203 E 3.7950 8.7668 118.3994 59.4846 29.2666 179.2110 204 A 4.1685 8.3146 120.7708 55.1041 18.3677 179.1848 205 F 4.2805 8.5454 119.4993 61.8339 39.2189 177.5152 206 L 3.2768 7.2450 116.8123 57.3790 41.3360 179.4263 207 K 3.7859 7.5902 117.8410 58.7577 32.0418 178.0945 208 Y 4.6159 8.0824 114.3325 57.7424 39.8662 176.4061 209 A 4.6021 7.8286 119.7897 52.2021 21.4601 175.8170 210 Y 3.7850 7.8383 117.8535 58.2727 38.7763 176.2838 211 K 3.9920 9.4322 127.0633 56.9536 33.1936 177.2502 212 G 4.0772 5.8847 106.9031 44.1188 0.0000 171.5206 213 D 4.7954 7.8200 114.1669 54.7642 40.9746 177.5871 214 I 3.8518 8.0031 111.8931 63.0842 37.6712 175.6141 215 L 4.1598 8.1047 125.1601 54.9279 41.2856 176.5512 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 8.31 4.44 0.00 1.61 1.69 0.00 1.29 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.26 7.81 3 I 8.37 4.52 1.89 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 0.68 0.88 0.00 0.00 4 D 9.64 5.11 0.00 2.58 2.62 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 0.00 0.00 0.00 0.00 5 I 8.29 4.32 1.07 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.32 0.00 0.00 0.00 6 L 8.42 3.84 0.00 1.99 1.86 0.40 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.12 4.77 0.00 2.98 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 8 K 8.48 4.51 0.00 1.05 1.54 0.00 1.99 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.43 7.81 9 G 8.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.84 5.35 0.00 3.09 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 11 V 8.91 4.96 2.20 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 1.08 0.00 0.00 1.23 0.00 0.00 12 E 9.61 5.00 0.00 1.90 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 2.14 2.14 0.00 13 L 8.66 4.24 0.00 1.70 1.54 0.69 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 14 V 8.42 3.93 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 0.70 0.00 0.00 0.40 0.00 0.00 15 D 7.40 4.34 0.00 2.61 2.30 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 16 V 7.12 4.48 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 0.38 0.00 0.00 0.73 0.00 0.00 *18 G 8.61 4.18 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 0.00 19 N 7.80 4.75 0.00 2.75 2.80 0.00 0.00 5.95 8.07 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 20 D 8.80 4.49 0.00 2.37 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 21 L 8.31 4.20 0.00 1.82 1.72 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.42 4.12 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.13 1.13 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 0.00 0.00 24 V 7.60 3.51 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 1.10 0.00 0.00 1.13 0.00 0.00 25 R 8.31 3.89 0.00 1.83 2.03 0.00 3.16 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 1.64 1.79 0.00 26 A 7.94 3.84 1.09 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 0.00 0.00 27 A 7.83 3.91 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 28 R 7.89 4.04 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 29 V 7.37 3.25 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 0.65 0.00 0.00 0.92 0.00 0.00 30 S 8.34 4.56 0.00 3.79 3.63 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 *31 F 8.66 3.68 0.00 2.46 1.70 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 *37 D 8.89 4.39 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.52 4.08 0.00 2.20 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 2.36 2.69 0.00 39 E 8.04 3.84 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 116 E 8.21 3.99 0.00 1.99 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 2.39 2.36 0.00 117 R 8.27 4.01 0.00 1.86 1.93 0.00 3.23 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 118 V 7.53 3.54 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 0.94 0.00 0.00 0.93 0.00 0.00 119 T 7.90 3.79 4.37 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 1.21 0.00 0.00 120 E 8.03 3.90 0.00 2.12 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 0.00 2.29 2.34 0.00 121 K 8.17 3.98 0.00 1.94 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 122 I 7.79 3.65 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.83 0.00 0.00 123 S 8.13 4.07 0.00 3.97 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 0.00 124 E 8.12 3.87 0.00 2.15 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 0.00 2.28 2.34 0.00 125 I 7.56 3.63 1.82 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 1.37 0.99 0.87 0.00 0.00 126 V 7.61 3.20 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 0.05 0.00 0.00 0.79 0.00 0.00 127 D 8.11 4.26 0.00 2.88 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 0.00 128 K 8.19 3.95 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.64 7.81 129 A 8.75 3.99 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 0.00 130 Y 8.09 4.26 0.00 2.96 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 0.00 131 R 8.29 3.74 0.00 1.97 1.92 0.00 3.19 0.00 0.00 3.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 132 T 8.11 3.86 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 133 Y 7.95 4.07 0.00 3.12 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 0.00 134 L 7.64 3.45 0.00 1.59 1.45 0.54 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.21 4.05 0.00 2.07 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 2.25 2.16 0.00 136 L 7.89 3.90 0.00 1.75 1.63 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.34 3.75 1.65 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.24 0.76 0.00 0.00 138 E 8.24 4.05 0.00 2.03 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 2.24 2.49 0.00 139 S 7.49 4.54 0.00 3.94 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 0.00 140 G 8.23 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.88 3.85 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 0.97 0.00 0.00 0.90 0.00 0.00 142 P 0.00 4.43 0.00 2.31 2.17 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 143 R 8.80 4.03 0.00 1.96 2.23 0.00 3.22 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 144 E 8.26 3.97 0.00 2.14 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 0.00 2.31 2.40 0.00 145 V 7.60 3.90 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 146 A 8.26 4.12 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 0.00 147 R 8.69 4.02 0.00 2.03 2.38 0.00 2.87 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.69 0.00 148 I 7.59 3.94 1.90 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 1.85 0.63 0.99 0.00 0.00 149 V 7.47 4.03 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 1.12 0.00 0.00 150 L 7.26 4.31 0.00 1.80 1.77 0.57 1.08 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 0.00 151 P 0.00 4.64 0.00 2.43 2.21 0.00 4.01 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.97 0.00 152 L 8.52 4.29 0.00 1.67 1.92 0.92 0.56 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 0.00 153 N 8.38 5.06 0.00 3.20 3.25 0.00 0.00 5.91 6.67 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 0.00 154 L 8.12 4.11 0.00 2.06 1.52 0.84 0.53 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 0.00 155 Y 8.60 4.63 0.00 2.82 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 0.00 156 T 9.24 4.75 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 1.15 0.00 0.00 157 R 8.35 5.40 0.00 1.82 1.85 0.00 3.36 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 158 F 8.81 5.63 0.00 3.40 3.22 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 0.00 159 F 9.41 5.35 0.00 3.02 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 0.00 160 W 9.45 5.48 0.00 3.23 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 0.00 161 T 8.87 5.50 4.13 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 1.13 0.00 0.00 162 V 7.61 4.52 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 0.00 0.00 -0.49 0.00 0.00 0.67 0.00 0.00 163 N 8.55 5.06 0.00 3.16 2.94 0.00 0.00 6.04 7.01 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 0.00 164 A 8.57 3.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.97 3.94 0.00 1.91 2.06 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.05 0.00 166 S 8.79 4.32 0.00 3.91 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 0.00 167 L 7.72 4.07 0.00 1.58 1.33 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *169 N 8.15 4.72 0.00 2.95 3.15 0.00 0.00 6.72 7.71 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 0.00 170 F 8.44 4.06 0.00 3.22 3.21 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 0.00 171 L 8.36 4.02 0.00 2.05 2.01 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.47 4.48 0.00 3.02 2.95 0.00 0.00 6.86 7.85 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 0.00 173 L 7.58 4.31 0.00 1.49 1.66 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.94 4.11 0.00 0.85 1.32 0.00 2.95 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 175 A 7.75 4.64 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.27 5.08 0.00 2.70 2.44 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 0.00 177 S 9.19 4.29 0.00 4.02 4.15 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 0.00 178 H 8.47 4.31 0.00 3.28 3.42 0.00 5.84 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 0.00 179 A 7.60 4.36 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 0.00 180 Q 8.49 4.17 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 181 W 9.15 4.32 0.00 3.52 3.39 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 0.00 182 E 8.64 3.77 0.00 2.31 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 2.58 2.50 0.00 183 I 7.75 3.76 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.83 0.00 0.00 184 Q 7.69 4.09 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 185 Q 7.43 3.66 0.00 1.72 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.18 0.00 186 Y 7.66 3.91 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 A 8.24 4.10 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 0.00 188 L 8.25 3.93 0.00 1.77 1.69 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.80 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 0.00 190 I 8.03 3.51 2.08 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.73 0.70 0.00 0.00 191 A 8.39 4.08 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 0.00 192 R 7.96 3.60 0.00 2.02 2.09 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 193 I 7.65 3.72 2.11 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 1.06 0.00 0.00 194 F 8.33 4.22 0.00 2.81 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 0.00 195 K 7.59 3.33 0.00 0.79 1.48 0.00 1.91 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.44 7.81 196 E 7.94 4.02 0.00 2.10 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 2.44 2.48 0.00 197 K 7.91 4.33 0.00 2.08 1.93 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.80 7.81 198 C 8.17 4.92 0.00 2.76 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 4.41 0.00 2.37 2.32 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 200 W 8.23 4.44 0.00 3.70 3.27 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 0.00 201 T 8.77 4.06 4.52 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 1.31 0.00 0.00 202 F 8.54 4.12 0.00 2.46 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.77 3.80 0.00 2.34 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 2.43 2.79 0.00 204 A 8.31 4.17 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 0.00 205 F 8.55 4.28 0.00 3.12 3.21 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 0.00 206 L 7.24 3.28 0.00 1.47 1.41 0.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.59 3.79 0.00 1.28 0.82 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.50 7.81 208 Y 8.08 4.62 0.00 2.89 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 0.00 209 A 7.83 4.60 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 0.00 210 Y 7.84 3.78 0.00 1.43 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 9.43 3.99 0.00 1.58 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.59 7.81 212 G 5.88 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 0.00 213 D 7.82 4.80 0.00 2.82 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 0.00 214 I 8.00 3.85 1.93 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 1.61 0.69 0.97 0.00 0.00 215 L 8.10 4.16 0.00 0.83 1.30 0.59 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.