NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 4.4001 8.0249 114.2903 61.0766 38.7826 175.0866 10 F 4.3506 8.9083 120.3260 56.7078 39.9508 174.2285 11 G 4.0320 7.9723 111.2942 44.8171 0.0000 171.8582 12 Y 4.3632 8.6305 123.3097 56.7592 40.9236 175.8901 13 D 4.1591 8.2076 129.9307 55.0309 38.8475 175.9054 14 E 3.9805 7.8665 118.8641 59.1418 29.6580 178.5831 15 E 3.9001 7.9756 119.3035 59.1236 29.8064 178.5658 16 K 3.9037 7.8725 119.2646 59.3248 32.2632 178.8963 17 V 3.5534 7.5400 118.6354 66.0383 31.5477 177.4793 18 N 4.2647 8.1131 116.2885 56.7417 38.4830 177.3968 19 R 3.9505 8.2604 119.7474 59.1461 30.1481 178.3823 20 I 4.1925 7.8679 121.1674 63.2015 37.3707 178.1002 21 Q 4.1229 8.9063 119.7701 58.8246 28.2974 179.1285 22 G 3.6268 7.9808 105.5810 48.0021 0.0000 174.8233 23 D 4.5720 8.0637 121.8873 57.1286 40.8883 179.1981 24 L 4.0016 7.9570 119.0350 58.0331 41.5105 179.5173 25 Q 4.1168 7.7566 116.0794 58.6476 28.7358 178.5283 26 T 4.2719 7.6507 109.1211 61.8914 69.4925 174.6289 27 V 4.5215 6.9882 113.9024 59.2544 35.8199 176.1933 28 D 4.6568 8.1436 121.6212 53.4160 38.5895 176.7337 29 I 3.8542 7.6407 124.7749 63.5927 37.6926 177.3014 30 S 4.1832 8.1930 113.9072 61.6116 62.3466 176.4641 31 G 3.7642 8.5506 109.2059 47.1263 0.0000 175.8050 32 V 3.7109 7.7897 121.4545 64.6491 31.4633 178.6633 33 S 4.1053 7.9632 115.3609 61.4083 62.6606 176.4847 34 Q 3.9839 7.9701 120.5215 59.1797 28.5652 179.0655 35 I 3.6892 7.6138 118.9246 64.1819 38.2021 177.9786 36 L 4.0802 8.3202 120.0856 57.4971 40.9388 179.6776 37 K 4.0244 8.2824 118.7760 59.0786 31.7290 178.9068 38 A 3.8630 7.8959 120.2751 55.6274 18.4341 179.5756 39 I 3.7779 7.7224 116.4440 64.3307 37.2190 178.3536 40 A 4.1011 7.7488 120.4415 53.6578 18.8485 177.6130 41 D 4.3995 7.0845 117.6162 54.4401 42.1875 176.6631 42 E 3.9463 8.9933 125.3099 60.0337 29.5211 179.6876 43 N 4.3021 8.0352 115.4914 56.4059 38.7770 177.5042 44 R 4.0105 9.7563 119.6918 59.1918 30.0447 179.0561 45 A 4.0141 8.0921 120.4586 54.9628 18.5181 179.4311 46 K 3.8710 7.9387 117.1617 60.1313 32.1993 179.4400 47 I 3.7434 8.1832 119.9565 64.7269 36.7558 178.7399 48 T 3.9556 7.7711 115.7543 66.4879 68.5236 176.1194 49 Y 4.1045 8.5524 121.7456 60.6999 38.9203 177.4949 50 A 3.8797 8.1388 121.7135 55.4510 18.2153 179.0761 51 L 4.2984 7.6193 114.3468 56.5589 41.8220 178.5108 52 C 4.2235 7.8552 117.2189 61.7984 28.3329 175.0582 53 Q 4.1722 7.4490 118.4472 56.1150 29.2213 175.8284 54 D 4.9410 7.1675 117.2620 52.1396 44.6901 175.4688 55 E 4.1396 8.9325 122.5574 59.0616 29.8015 176.7470 56 E 5.7437 7.7841 115.1839 53.4919 33.3206 175.1877 57 L 5.1173 8.5116 121.8190 53.2864 46.6012 175.7327 58 C 5.3003 8.6829 117.1254 56.8360 32.1963 175.0172 59 V 3.5607 8.5014 118.1964 65.0907 30.7353 178.0296 60 C 4.0428 8.0920 116.9010 62.5686 27.7759 175.1880 61 D 4.4169 8.2164 120.0226 57.7228 40.4499 178.8819 62 I 3.6703 7.5042 119.5006 64.5250 37.1671 178.0262 63 A 3.9877 8.7575 122.5371 55.4416 18.0798 179.2853 64 N 4.2231 8.4970 115.3851 56.7729 38.9309 176.9476 65 I 3.6683 8.9741 119.9943 64.8205 37.3838 177.8748 66 L 4.2302 7.9720 117.1924 54.8658 41.9882 176.9653 67 G 3.8271 7.8185 106.0645 47.0962 0.0000 173.6078 68 V 4.5260 7.9411 111.1350 58.3264 35.4459 176.8307 69 T 4.0323 8.2432 111.9273 62.3143 70.2834 175.1856 70 I 3.7068 8.2850 122.3465 64.3826 37.1635 178.5993 71 A 3.9611 7.9013 121.3120 55.0340 18.3595 178.8738 72 N 4.1468 8.0649 115.0888 56.8224 39.0299 176.8940 73 A 3.9848 7.9620 122.0083 55.3528 18.5985 179.7198 74 S 3.9861 8.5776 113.9893 61.8284 62.8545 176.3640 75 H 4.0592 8.2183 120.8030 59.8243 29.7710 177.0672 76 H 4.2009 8.0186 117.6129 58.8380 28.4588 177.7548 77 L 4.0441 7.8593 120.7106 57.0937 41.3409 179.4147 78 R 3.8717 7.9140 118.7700 59.7688 29.7613 178.3777 79 T 3.8842 7.7073 115.5902 67.0444 68.4428 176.2750 80 L 3.8848 7.8061 120.0696 57.7802 41.6422 179.0667 81 Y 4.3991 7.9730 120.9372 60.2460 38.6386 177.8461 82 K 3.8933 8.1820 118.2421 59.3364 32.2632 178.4981 83 Q 4.3010 7.5566 115.3485 55.7196 29.2643 176.8908 84 G 3.8211 7.7298 108.9087 45.4565 0.0000 175.5546 85 V 3.7253 8.1281 122.1716 65.0059 32.2698 176.4181 86 V 5.0168 7.8080 112.1008 59.6122 35.2678 175.1464 87 N 5.2266 9.4126 121.7991 52.6077 40.8116 173.8492 88 F 5.5099 8.4106 114.8029 54.8442 42.1475 173.9484 89 R 3.9628 8.2101 114.2358 55.9805 31.9209 174.4528 90 K 4.3372 8.8114 128.3354 55.3712 32.9838 171.1529 *92 G 3.8657 9.1791 115.5137 45.1879 0.0000 174.6503 93 K 4.0189 9.2825 124.7252 56.0959 32.9327 179.0005 94 L 4.4144 7.6592 119.1027 53.4243 42.3194 175.3701 95 A 3.9376 8.2191 128.4488 51.9099 18.5659 176.0000 96 L 4.8762 8.4275 123.0454 53.3124 44.5138 175.3897 97 Y 5.3653 8.9940 120.4032 56.3912 41.5883 174.8647 98 S 5.3032 8.9672 116.2451 55.2902 67.6745 172.7616 99 L 4.2913 8.5784 122.3240 55.1912 42.4268 177.5922 100 G 4.2107 9.4181 114.1868 46.1966 0.0000 173.3853 101 G 4.5146 7.6008 115.0258 44.0534 0.0000 173.2060 102 E 3.8799 8.4201 121.5188 59.0983 29.2318 179.0283 103 A 4.0038 8.1547 120.3463 55.6864 18.1708 179.6324 104 I 3.6726 7.7040 117.5143 64.3436 37.1024 178.7549 105 R 3.9225 7.9406 119.3368 59.2904 29.9181 178.3643 106 Q 3.9940 8.1652 117.8835 59.0226 28.7717 178.6630 107 I 3.6892 7.9137 120.8997 64.8389 37.1552 178.1987 108 M 4.0967 7.8418 118.7380 58.9609 32.0635 178.1396 109 M 4.2031 8.2229 118.8467 58.0906 32.1406 178.8060 110 I 3.6853 8.1841 120.2238 64.4203 37.3628 177.7973 111 A 4.0537 8.1078 121.4065 55.9317 17.9328 179.2760 112 L 3.6632 8.2239 115.2017 58.1563 42.1362 179.1910 113 A 4.1439 8.4867 120.0749 55.8268 18.2349 178.8122 114 H 4.0252 8.6550 115.3877 59.7185 30.0419 177.2574 115 K 4.0301 7.7072 117.1666 58.0568 31.9078 177.2312 116 K 4.1425 7.6817 123.3989 56.5362 32.0962 176.5399 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 9 I 8.02 4.40 1.94 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 1.42 1.13 0.96 0.00 0.00 10 F 8.91 4.35 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 11 G 7.97 4.03 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 0.00 0.00 0.00 12 Y 8.63 4.36 0.00 2.95 2.92 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 13 D 8.21 4.16 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.87 3.98 0.00 1.96 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 2.49 2.34 0.00 15 E 7.98 3.90 0.00 2.05 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 2.35 2.40 0.00 16 K 7.87 3.90 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.47 7.81 17 V 7.54 3.55 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 1.01 0.00 0.00 1.02 0.00 0.00 18 N 8.11 4.26 0.00 2.96 2.87 0.00 0.00 6.74 6.94 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 19 R 8.26 3.95 0.00 1.89 2.17 0.00 3.08 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 20 I 7.87 4.19 1.88 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 1.54 1.37 0.92 0.00 0.00 21 Q 8.91 4.12 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 22 G 7.98 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 0.00 0.00 0.00 23 D 8.06 4.57 0.00 2.92 2.75 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 24 L 7.96 4.00 0.00 1.88 1.72 0.93 0.73 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 25 Q 7.76 4.12 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 26 T 7.65 4.27 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 1.24 0.00 0.00 27 V 6.99 4.52 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 0.69 0.00 0.00 0.99 0.00 0.00 28 D 8.14 4.66 0.00 2.78 2.55 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 29 I 7.64 3.85 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 1.52 1.07 0.91 0.00 0.00 30 S 8.19 4.18 0.00 3.88 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 31 G 8.55 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 32 V 7.79 3.71 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 1.03 0.00 0.00 0.93 0.00 0.00 33 S 7.96 4.11 0.00 4.04 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 34 Q 7.97 3.98 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 35 I 7.61 3.69 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 1.52 1.35 0.98 0.00 0.00 36 L 8.32 4.08 0.00 1.71 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.28 4.02 0.00 2.06 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 38 A 7.90 3.86 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 39 I 7.72 3.78 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 1.47 0.75 0.93 0.00 0.00 40 A 7.75 4.10 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 41 D 7.08 4.40 0.00 2.92 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 3.95 0.00 2.08 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 2.40 2.48 0.00 43 N 8.04 4.30 0.00 2.63 2.73 0.00 0.00 6.99 7.66 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 44 R 9.76 4.01 0.00 1.92 2.03 0.00 3.13 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 45 A 8.09 4.01 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 46 K 7.94 3.87 0.00 2.01 1.93 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.74 7.81 47 I 8.18 3.74 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 0.88 0.00 0.00 48 T 7.77 3.96 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 1.24 0.00 0.00 49 Y 8.55 4.10 0.00 3.10 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 50 A 8.14 3.88 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 51 L 7.62 4.30 0.00 1.78 1.74 0.96 1.03 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 52 C 7.86 4.22 0.00 2.62 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 53 Q 7.45 4.17 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 1.57 2.36 0.00 54 D 7.17 4.94 0.00 2.58 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 55 E 8.93 4.14 0.00 2.00 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 2.27 0.00 56 E 7.78 5.74 0.00 1.81 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 0.00 2.22 2.16 0.00 57 L 8.51 5.12 0.00 1.59 1.53 0.92 0.92 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 58 C 8.68 5.30 0.00 3.09 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 59 V 8.50 3.56 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 0.91 0.00 0.00 0.86 0.00 0.00 60 C 8.09 4.04 0.00 3.00 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 61 D 8.22 4.42 0.00 2.90 2.75 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 62 I 7.50 3.67 1.98 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 1.41 0.91 0.86 0.00 0.00 63 A 8.76 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.50 4.22 0.00 3.00 2.91 0.00 0.00 7.21 7.28 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 65 I 8.97 3.67 1.92 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 1.54 0.71 0.94 0.00 0.00 66 L 7.97 4.23 0.00 1.64 1.73 0.92 0.73 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 67 G 7.82 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 0.00 0.00 0.00 68 V 7.94 4.53 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 0.82 0.00 0.00 1.00 0.00 0.00 69 T 8.24 4.03 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 1.20 0.00 0.00 70 I 8.29 3.71 1.86 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 1.57 0.84 0.90 0.00 0.00 71 A 7.90 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.06 4.15 0.00 2.82 3.01 0.00 0.00 7.13 8.31 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 73 A 7.96 3.98 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 74 S 8.58 3.99 0.00 3.92 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 75 H 8.22 4.06 0.00 3.15 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.02 4.20 0.00 3.24 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.86 4.04 0.00 1.68 1.41 0.21 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.91 3.87 0.00 2.07 2.03 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 79 T 7.71 3.88 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 1.22 0.00 0.00 80 L 7.81 3.88 0.00 1.95 1.78 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.97 4.40 0.00 3.37 3.25 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 82 K 8.18 3.89 0.00 1.79 1.88 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.74 7.81 83 Q 7.56 4.30 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.95 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 84 G 7.73 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 85 V 8.13 3.73 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 0.95 0.00 0.00 0.94 0.00 0.00 86 V 7.81 5.02 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 0.98 0.00 0.00 1.21 0.00 0.00 87 N 9.41 5.23 0.00 2.79 2.75 0.00 0.00 6.49 7.96 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 88 F 8.41 5.51 0.00 2.23 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 89 R 8.21 3.96 0.00 1.72 1.82 0.00 2.89 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 90 K 8.81 4.34 0.00 1.56 1.63 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.00 7.81 *92 G 9.18 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 93 K 9.28 4.02 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 0.99 7.81 94 L 7.66 4.41 0.00 1.57 1.62 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.22 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.43 4.88 0.00 1.60 1.56 0.92 0.63 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 97 Y 8.99 5.37 0.00 3.00 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 98 S 8.97 5.30 0.00 3.88 4.03 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 99 L 8.58 4.29 0.00 1.81 1.61 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.42 4.21 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 0.00 0.00 0.00 101 G 7.60 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.42 3.88 0.00 2.08 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 2.39 2.47 0.00 103 A 8.15 4.00 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 0.00 104 I 7.70 3.67 1.97 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 1.41 1.60 0.93 0.00 0.00 105 R 7.94 3.92 0.00 1.87 2.19 0.00 3.29 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 106 Q 8.17 3.99 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 107 I 7.91 3.69 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 1.41 0.90 0.92 0.00 0.00 108 M 7.84 4.10 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 109 M 8.22 4.20 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.95 0.00 110 I 8.18 3.69 1.95 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 1.47 0.94 0.92 0.00 0.00 111 A 8.11 4.05 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 0.00 112 L 8.22 3.66 0.00 1.89 1.71 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.49 4.14 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 0.00 114 H 8.65 4.03 0.00 3.16 3.58 0.00 5.96 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 0.00 115 K 7.71 4.03 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.63 7.81 116 K 7.68 4.14 0.00 1.96 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.