NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2517 8.1185 123.5702 52.3875 21.3677 178.7719 3 A 3.8314 7.6638 116.5165 54.2031 19.1586 178.0677 4 N 4.3550 8.7662 113.4492 55.2998 39.6526 174.6988 5 K 4.4862 7.2767 116.7173 55.9709 32.5448 176.3181 6 E 4.2334 7.8781 121.4462 56.4892 30.6206 175.8880 7 R 5.2813 8.4654 122.8512 54.8563 34.4730 174.2699 8 T 4.7876 8.6645 114.6108 60.5687 71.9645 171.9614 9 F 5.3147 8.7996 127.3295 56.6796 41.4956 174.2558 10 I 4.5724 8.0427 126.6089 59.5044 40.6740 174.2536 11 M 4.7863 7.8754 124.7352 53.6323 35.8456 173.7307 12 V 3.9546 8.5959 126.9480 62.2692 33.0453 175.9945 13 K 4.6106 8.9377 127.9180 55.1973 33.3644 176.3254 14 P 4.3342 0.0000 0.0000 65.2622 31.0026 178.6881 15 D 4.5247 8.1259 116.8405 56.0705 39.3805 178.9832 16 G 3.5578 8.0643 107.6483 47.5244 0.0000 176.0581 17 V 3.5890 7.6447 120.2066 65.9881 31.5271 178.0312 18 Q 4.0856 8.0908 116.5056 58.5098 28.5436 178.0708 19 R 4.4209 7.8294 116.7141 54.7991 30.9751 176.3775 20 G 3.8440 7.9144 106.3653 47.3543 0.0000 174.5687 21 L 4.4084 7.6938 115.1085 54.1872 42.9426 179.5008 22 V 3.5905 7.8497 120.0311 66.0169 31.5026 177.9088 23 G 3.7390 8.0451 104.8695 47.9823 0.0000 175.2560 24 K 3.9560 7.9662 120.7187 59.2142 31.8280 179.3527 25 I 3.8352 7.7282 119.8939 64.5040 36.9659 178.5971 26 I 4.1007 7.9438 120.7407 64.3711 36.8481 177.9431 27 E 3.9947 8.4785 120.2476 59.4607 29.3809 179.0822 28 R 3.8413 7.8380 117.9691 59.3993 30.0022 179.1390 29 F 3.6490 7.7648 116.0440 60.0957 38.6312 177.6579 30 E 4.2423 8.4995 118.4591 59.6298 29.1508 178.9282 31 Q 3.9406 8.0611 118.2964 59.4133 29.1038 178.3926 32 K 3.8951 7.4844 118.8075 58.5366 32.2430 177.2703 33 G 3.9372 7.4875 104.1381 44.8699 0.0000 173.8223 34 F 4.8810 7.6068 118.5648 57.3928 40.1973 174.5856 35 K 4.7877 9.2973 122.7207 54.6491 33.9185 175.1812 36 L 3.1715 8.9739 130.3199 55.1227 42.1169 176.1362 37 V 4.3815 8.6173 126.1358 64.0013 34.1512 175.0440 38 A 4.6375 7.0736 119.3211 50.7983 22.4034 174.9393 39 L 5.0647 7.9857 119.6162 54.2835 45.0383 174.1420 40 K 4.6008 8.6751 122.1673 56.2536 36.2894 173.4644 41 F 5.2998 8.8043 124.3589 57.2469 40.9391 174.4924 42 T 4.3523 8.3429 118.7484 61.0231 71.5245 171.8408 43 W 4.6776 8.5690 135.0000 55.2955 31.5257 175.5680 44 A 4.2260 8.6166 131.3173 51.9493 18.7748 177.5936 45 S 4.5207 8.3512 117.2139 57.7502 65.6123 175.7737 46 K 3.9385 8.5618 122.7848 59.6263 31.9746 179.1612 47 E 3.8989 8.1088 119.2185 59.2335 29.5114 178.5575 48 L 3.8648 7.7195 120.2893 57.9695 42.1199 178.9056 49 L 4.1677 8.1905 119.2430 57.8740 41.3403 179.3295 50 E 4.6963 8.3953 117.9106 59.0261 29.7043 179.3649 51 K 4.1421 7.6354 117.7105 59.6982 32.0009 178.7503 52 H 4.1019 8.2137 117.2141 58.9098 29.9389 176.0371 53 Y 4.8483 8.5042 116.8953 57.8118 38.4950 177.2910 54 A 3.9652 7.8022 126.5324 55.6580 18.4689 180.1370 55 D 4.5496 8.0737 112.8096 55.8158 41.3930 176.7655 56 L 4.4539 8.3858 119.3724 54.2719 41.8491 178.2269 57 S 2.7982 6.7494 114.0944 61.6275 62.9363 175.3376 58 A 4.4542 7.5234 120.8299 52.2208 18.8035 177.0018 59 R 4.5615 7.1974 117.3667 54.9117 31.6655 174.9469 60 P 3.9263 0.0000 0.0000 63.8120 31.4918 176.2958 61 F 4.2677 8.2566 116.7791 58.1420 37.0525 177.9053 62 F 4.3584 7.8421 124.0572 61.1320 39.0855 174.2122 63 P 4.1557 0.0000 0.0000 65.5207 31.1724 178.7996 64 G 3.6002 7.9243 103.9356 47.4336 0.0000 175.6329 65 L 3.9377 7.6031 122.2209 58.1054 41.8967 179.0209 66 V 3.4891 7.3504 118.1890 65.9291 31.1335 177.7891 67 N 4.4025 8.1654 115.9189 56.1022 38.6794 176.6057 68 Y 4.1775 8.0326 121.0644 61.0126 38.8133 177.8048 69 M 3.9615 8.1302 117.5706 56.9579 32.0012 177.0995 70 N 5.0116 7.3218 115.8079 53.2424 39.5340 174.7153 71 S 4.6996 7.4950 111.9459 57.6716 63.6564 173.5965 72 G 2.8408 6.3653 108.2796 43.6466 0.0000 171.3766 73 P 3.9786 0.0000 0.0000 62.6358 32.5669 175.6468 74 V 4.4937 8.8050 114.0811 59.7635 36.3491 174.9181 75 V 5.3600 8.7472 122.3490 59.3426 32.1293 172.3598 76 P 4.5437 0.0000 0.0000 62.6681 32.9981 175.3078 77 M 5.1207 8.5784 120.4954 54.2486 37.4664 173.7943 78 V 4.7566 8.0912 119.7652 61.0254 34.9485 174.2984 79 W 5.1327 8.8170 126.6845 54.7789 32.7222 174.0540 80 E 5.1516 10.0391 124.0393 53.8077 32.3540 175.2219 81 G 4.8384 8.7760 114.3597 45.4584 0.0000 171.4502 82 L 4.4393 8.9464 123.1238 55.6884 42.5965 176.1033 83 N 4.4016 9.2248 124.4085 54.3191 37.8371 176.1954 84 V 3.1986 7.6346 118.5941 64.1321 31.2307 177.5704 85 V 3.5228 8.2450 118.8532 65.7148 31.5282 178.0122 86 K 3.9566 7.9326 118.6601 60.0003 32.2854 178.8203 87 T 4.0821 8.2783 116.3389 66.5312 68.3236 176.9405 88 G 3.7045 8.4629 108.2187 47.9449 0.0000 176.0261 89 R 4.0713 7.9947 119.8386 58.8406 29.8111 178.9063 90 Q 3.9969 7.7252 118.5469 59.3806 29.2952 177.7953 91 M 4.1479 8.1289 119.8440 58.3026 31.8630 178.7570 92 L 4.0821 8.0416 119.4112 55.1444 41.7185 177.9960 93 G 4.2277 7.7682 103.2166 44.1213 0.0000 172.6171 94 A 4.1495 8.0671 121.0695 52.2403 18.9271 177.7923 95 T 3.9105 8.7146 118.5556 66.5635 68.7743 174.3031 96 N 4.6172 8.0227 121.6196 51.8659 38.9339 173.2053 97 P 4.2527 0.0000 0.0000 64.8056 31.6262 178.7054 98 A 4.0010 8.2076 119.5691 54.6066 18.3527 177.5409 99 D 4.7315 7.9909 113.7098 54.5024 41.4404 176.9350 100 S 4.4240 7.9395 117.3136 58.3324 64.2974 173.6751 101 L 4.4898 8.3683 123.2929 53.1406 43.4278 174.4415 102 P 4.3122 0.0000 0.0000 64.0415 31.3044 175.8380 103 G 4.0089 8.9625 112.9100 46.1877 0.0000 175.0610 104 T 4.4052 7.6261 109.9710 60.3895 71.5041 176.0462 105 I 3.8036 8.2877 122.3543 64.8552 37.2843 179.2114 106 R 4.1396 8.3883 119.2280 59.1548 29.6561 179.3901 107 G 3.5850 7.9078 104.8138 47.6529 0.0000 174.9733 108 D 4.2785 7.7660 119.9347 55.3905 41.1184 177.2525 109 F 5.0405 7.7937 115.2624 57.2774 40.5759 174.2408 110 C 4.9445 7.9839 113.8255 57.0398 32.9326 173.0812 111 I 4.2925 8.4398 117.0460 62.5360 39.0949 175.9540 112 Q 4.6573 7.6192 120.5178 53.7245 30.8127 176.4395 113 V 3.6430 8.4446 123.1198 64.6053 31.3962 177.3210 114 G 3.7131 7.3159 103.9747 46.3574 0.0000 173.5408 115 R 4.6242 7.7024 118.2374 55.1078 30.7301 174.7447 116 N 4.8487 8.0177 110.2439 52.6735 38.5513 176.5928 117 I 3.2362 8.4425 110.8428 63.7567 38.8952 172.7278 118 I 4.9104 7.4869 117.8823 60.1211 40.1309 173.2032 *120 G 3.7504 8.4292 106.8028 45.2530 0.0000 172.9101 121 S 4.3401 8.4734 119.5712 59.0885 63.2981 175.2072 122 D 4.6295 8.7248 122.7837 54.5712 40.2505 176.2408 123 A 4.6176 7.5098 119.5437 49.7862 23.7601 176.9818 124 V 3.5746 8.3709 120.3863 66.1643 31.6082 178.2405 125 E 3.9880 8.1465 118.0019 59.5912 29.4513 179.3827 126 S 4.2493 8.0905 113.1374 60.9047 63.2706 176.0955 127 A 4.4811 8.0661 126.3126 54.5161 17.6752 179.0950 128 E 3.9083 8.3373 117.8661 59.3775 29.5860 179.3256 129 K 4.0027 7.8352 117.9371 59.5732 32.1895 179.2895 130 E 3.9349 8.5988 119.2665 59.3524 29.2338 179.4486 131 I 3.9428 8.0125 119.6943 64.5576 37.0264 178.4340 132 A 4.0554 7.5968 119.5645 54.6740 18.1966 179.0457 133 L 3.9464 7.4338 118.6840 57.5064 42.2691 178.3273 134 W 4.2017 8.0792 117.3326 56.7032 29.7366 176.4046 135 F 5.2450 7.9439 115.8626 55.6040 42.4573 174.0988 136 N 4.8863 9.4581 120.6511 52.1351 39.8889 176.6214 137 E 4.1278 8.7644 120.0482 59.0543 29.8465 179.7894 138 K 4.1247 8.0076 117.5856 59.1978 32.3030 177.9679 139 E 4.1489 8.4291 117.1490 57.8296 29.7114 176.5406 140 L 4.3124 7.2827 119.1959 53.9514 42.1665 176.4992 141 V 4.2826 8.7857 125.7891 61.8213 32.6457 175.0384 142 T 4.8867 8.5147 118.3366 59.8571 70.4445 173.6731 143 W 5.1304 8.4865 121.3409 55.8370 31.0742 173.5187 144 T 4.2920 8.3577 114.3858 60.8364 70.7657 172.6163 145 P 4.3716 0.0000 0.0000 61.9643 32.0838 177.4187 146 A 4.0011 8.8890 125.0766 55.1128 18.5646 178.1500 147 A 4.7338 7.9971 116.4664 52.1332 19.5321 178.3443 148 K 3.8399 8.1439 120.3518 60.6025 31.8676 178.3019 149 D 4.4490 7.9620 116.1063 55.8998 40.8928 177.4437 150 W 4.5889 7.9614 118.0643 57.1827 29.6187 177.3483 151 I 4.0016 7.4025 118.8555 61.4196 38.0077 175.2756 152 Y 4.8910 7.1974 114.9454 55.8989 41.2671 175.4000 153 E 4.1177 8.8397 120.9826 56.7908 29.6576 176.8363 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 A 8.12 4.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.66 3.83 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 4 N 8.77 4.35 0.00 2.47 2.19 0.00 0.00 7.08 7.64 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 5 K 7.28 4.49 0.00 1.76 1.80 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.50 7.81 6 E 7.88 4.23 0.00 2.03 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 2.33 2.32 0.00 7 R 8.47 5.28 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 8 T 8.66 4.79 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 1.21 0.00 0.00 9 F 8.80 5.31 0.00 3.26 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 10 I 8.04 4.57 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.39 0.65 0.00 0.00 11 M 7.88 4.79 0.00 1.64 1.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 12 V 8.60 3.95 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 0.94 0.00 0.00 0.91 0.00 0.00 13 K 8.94 4.61 0.00 2.02 1.83 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.46 7.81 14 P 0.00 4.33 0.00 1.72 1.73 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 15 D 8.13 4.52 0.00 2.98 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 16 G 8.06 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 17 V 7.64 3.59 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 1.22 0.00 0.00 1.07 0.00 0.00 18 Q 8.09 4.09 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 19 R 7.83 4.42 0.00 1.86 1.94 0.00 3.34 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 20 G 7.91 3.84 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 0.00 0.00 0.00 21 L 7.69 4.41 0.00 1.65 1.31 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.85 3.59 2.02 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 1.03 0.00 0.00 0.90 0.00 0.00 23 G 8.05 3.74 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 0.00 0.00 0.00 24 K 7.97 3.96 0.00 1.69 1.79 0.00 1.17 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.40 7.81 25 I 7.73 3.84 2.08 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 1.59 1.20 1.03 0.00 0.00 26 I 7.94 4.10 2.13 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 1.67 0.89 1.26 0.00 0.00 27 E 8.48 3.99 0.00 2.24 2.16 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 2.34 2.40 0.00 28 R 7.84 3.84 0.00 1.88 1.74 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 29 F 7.76 3.65 0.00 2.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 4.24 0.00 2.28 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 0.00 2.70 2.81 0.00 31 Q 8.06 3.94 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 32 K 7.48 3.90 0.00 1.62 1.78 0.00 1.45 0.00 0.00 1.50 0.00 0.00 3.08 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.06 0.70 7.81 33 G 7.49 3.94 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 0.00 0.00 0.00 34 F 7.61 4.88 0.00 3.19 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 35 K 9.30 4.79 0.00 1.85 1.83 0.00 1.50 0.00 0.00 0.68 0.00 0.00 2.24 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 0.68 7.81 36 L 8.97 3.17 0.00 1.18 1.52 -0.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.62 4.38 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 0.71 0.00 0.00 1.02 0.00 0.00 38 A 7.07 4.64 0.35 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 39 L 7.99 5.06 0.00 1.44 1.39 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.68 4.60 0.00 1.90 2.04 0.00 1.38 0.00 0.00 1.80 0.00 0.00 2.17 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 F 8.80 5.30 0.00 2.90 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 42 T 8.34 4.35 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 1.32 0.00 0.00 43 W 8.57 4.68 0.00 3.40 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 44 A 8.62 4.23 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 45 S 8.35 4.52 0.00 4.03 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 46 K 8.56 3.94 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 47 E 8.11 3.90 0.00 2.00 1.89 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 2.33 2.35 0.00 48 L 7.72 3.86 0.00 1.55 1.58 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.19 4.17 0.00 1.94 1.96 1.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.40 4.70 0.00 2.04 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 2.49 2.59 0.00 51 K 7.64 4.14 0.00 2.02 1.77 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 52 H 8.21 4.10 0.00 3.21 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.50 4.85 0.00 3.54 3.36 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 54 A 7.80 3.97 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 55 D 8.07 4.55 0.00 2.72 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 56 L 8.39 4.45 0.00 2.06 1.87 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 S 6.75 2.80 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.52 4.45 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 59 R 7.20 4.56 0.00 2.00 1.82 0.00 3.32 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 60 P 0.00 3.93 0.00 1.42 0.98 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 61 F 8.26 4.27 0.00 3.25 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 62 F 7.84 4.36 0.00 3.43 3.14 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 63 P 0.00 4.16 0.00 2.24 2.09 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 64 G 7.92 3.60 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 0.00 65 L 7.60 3.94 0.00 1.70 1.72 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.35 3.49 1.91 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 0.92 0.00 0.00 0.22 0.00 0.00 67 N 8.17 4.40 0.00 2.83 2.89 0.00 0.00 6.98 8.11 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 68 Y 8.03 4.18 0.00 3.12 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 69 M 8.13 3.96 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.94 0.00 70 N 7.32 5.01 0.00 2.82 2.93 0.00 0.00 7.12 7.30 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 71 S 7.50 4.70 0.00 4.05 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 0.00 72 G 6.37 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 0.00 0.00 0.00 73 P 0.00 3.98 0.00 1.20 1.49 0.00 3.03 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 74 V 8.81 4.49 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 0.63 0.00 0.00 0.97 0.00 0.00 75 V 8.75 5.36 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 1.30 0.00 0.00 1.12 0.00 0.00 76 P 0.00 4.54 0.00 2.24 1.91 0.00 3.81 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 2.08 2.12 0.00 77 M 8.58 5.12 0.00 1.60 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 78 V 8.09 4.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.73 0.00 0.00 79 W 8.82 5.13 0.00 3.19 3.04 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 0.00 0.00 0.00 0.00 80 E 10.04 5.15 0.00 2.00 1.82 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 2.24 2.40 0.00 81 G 8.78 4.84 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 0.00 0.00 0.00 82 L 8.95 4.44 0.00 1.78 2.00 0.96 0.95 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 83 N 9.22 4.40 0.00 3.03 2.92 0.00 0.00 6.93 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 84 V 7.63 3.20 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.14 0.00 0.00 85 V 8.24 3.52 2.19 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 1.05 0.00 0.00 0.99 0.00 0.00 86 K 7.93 3.96 0.00 1.89 1.96 0.00 1.80 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.55 7.81 87 T 8.28 4.08 4.55 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 1.39 0.00 0.00 88 G 8.46 3.70 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 0.00 0.00 0.00 89 R 7.99 4.07 0.00 2.04 2.02 0.00 3.27 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 90 Q 7.73 4.00 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 91 M 8.13 4.15 0.00 1.83 2.08 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 92 L 8.04 4.08 0.00 1.76 1.77 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.77 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.07 4.15 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 95 T 8.71 3.91 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 96 N 8.02 4.62 0.00 2.81 2.73 0.00 0.00 7.15 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 97 P 0.00 4.25 0.00 2.40 2.24 0.00 3.99 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 98 A 8.21 4.00 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 99 D 7.99 4.73 0.00 2.79 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 0.00 100 S 7.94 4.42 0.00 3.93 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 0.00 101 L 8.37 4.49 0.00 1.57 1.54 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.31 0.00 1.88 1.92 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 103 G 8.96 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.63 4.41 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 1.28 0.00 0.00 105 I 8.29 3.80 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.63 1.11 0.00 0.00 106 R 8.39 4.14 0.00 1.95 2.00 0.00 3.34 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 107 G 7.91 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 0.00 108 D 7.77 4.28 0.00 1.79 1.61 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 0.00 109 F 7.79 5.04 0.00 3.19 3.04 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 0.00 0.00 0.00 0.00 110 C 7.98 4.94 0.00 3.23 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 0.00 111 I 8.44 4.29 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 1.31 0.70 0.91 0.00 0.00 112 Q 7.62 4.66 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 113 V 8.44 3.64 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 0.76 0.00 0.00 0.95 0.00 0.00 114 G 7.32 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 0.00 115 R 7.70 4.62 0.00 1.72 1.83 0.00 3.30 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 116 N 8.02 4.85 0.00 2.90 3.04 0.00 0.00 6.05 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 0.00 117 I 8.44 3.24 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 1.03 0.00 0.00 118 I 7.49 4.91 1.91 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 1.19 1.78 1.04 0.00 0.00 *120 G 8.43 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.47 4.34 0.00 4.01 3.90 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 0.00 122 D 8.72 4.63 0.00 2.82 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 0.00 123 A 7.51 4.62 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 0.00 124 V 8.37 3.57 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 1.08 0.00 0.00 0.95 0.00 0.00 125 E 8.15 3.99 0.00 2.11 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 2.41 2.44 0.00 126 S 8.09 4.25 0.00 4.07 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 0.00 127 A 8.07 4.48 1.49 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 0.00 0.00 0.00 128 E 8.34 3.91 0.00 2.41 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 0.00 2.32 2.42 0.00 129 K 7.84 4.00 0.00 2.06 1.82 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 130 E 8.60 3.93 0.00 1.89 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 2.27 2.50 0.00 131 I 8.01 3.94 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.06 1.05 0.00 0.00 132 A 7.60 4.06 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 0.00 133 L 7.43 3.95 0.00 1.59 1.79 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.08 4.20 0.00 3.07 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 0.00 135 F 7.94 5.25 0.00 3.15 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 0.00 136 N 9.46 4.89 0.00 2.78 2.76 0.00 0.00 7.22 7.44 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 0.00 137 E 8.76 4.13 0.00 2.05 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 0.00 2.43 2.38 0.00 138 K 8.01 4.12 0.00 1.79 1.90 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 139 E 8.43 4.15 0.00 2.28 2.22 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 2.47 2.40 0.00 140 L 7.28 4.31 0.00 1.64 1.57 0.93 0.60 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 0.00 141 V 8.79 4.28 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 0.73 0.00 0.00 0.86 0.00 0.00 142 T 8.51 4.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 143 W 8.49 5.13 0.00 3.57 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 0.00 144 T 8.36 4.29 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 1.17 0.00 0.00 145 P 0.00 4.37 0.00 2.07 1.83 0.00 3.36 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.89 0.00 146 A 8.89 4.00 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 0.00 147 A 8.00 4.73 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 0.00 148 K 8.14 3.84 0.00 1.98 1.86 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.61 7.81 149 D 7.96 4.45 0.00 2.24 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 0.00 0.00 0.00 0.00 150 W 7.96 4.59 0.00 3.37 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 0.00 151 I 7.40 4.00 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.07 0.00 0.00 152 Y 7.20 4.89 0.00 2.89 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 0.00 153 E 8.84 4.12 0.00 1.96 1.84 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 2.32 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.