NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2487 8.2644 123.5851 52.4734 19.2953 175.5054 2 S 5.1980 8.2049 119.6568 58.6466 64.5071 174.1859 3 N 4.5987 8.6523 125.3744 55.0199 40.2935 173.4927 4 F 4.6060 8.0949 121.4488 58.7682 38.4460 173.4999 5 E 4.9449 8.8289 124.6093 54.1945 33.7233 174.9602 6 E 4.5038 8.7876 121.8571 56.5038 30.4349 175.6444 7 F 5.0059 8.6270 119.5751 55.5477 42.3811 173.2817 8 V 4.2474 8.3628 119.3097 61.7674 31.1937 175.2126 9 L 4.0634 8.4242 131.8687 57.3440 42.8667 176.9856 10 V 4.1097 7.3670 119.9739 61.1031 33.7192 174.4131 11 D 5.0003 8.7260 128.9112 53.5739 39.6314 174.7621 12 N 4.7142 8.5893 123.9603 52.8119 38.7272 176.4585 13 G 4.1399 9.2730 113.7246 44.0059 0.0000 174.7539 14 G 4.1140 7.4832 109.3130 44.9890 0.0000 172.7127 15 T 4.2952 8.0334 114.3500 62.3276 69.1156 173.4388 16 G 3.9533 9.0912 117.2312 44.7354 0.0000 172.4756 17 D 4.4393 7.8335 119.3723 54.9657 42.3164 176.1280 18 V 4.1677 8.2957 122.3582 61.2615 31.9950 174.6386 19 K 4.6024 8.2175 127.0149 55.5968 33.3061 176.8182 20 V 4.6325 8.4979 122.9778 59.8455 34.7221 174.3373 21 A 5.3817 9.3592 123.9440 49.2277 23.1037 173.5070 22 P 4.6885 0.0000 0.0000 63.5219 31.1134 176.7478 23 S 4.6044 8.6728 116.0892 58.8783 65.6242 173.7776 24 N 4.6317 7.7678 115.3792 52.5146 42.0533 174.3908 25 F 5.2950 8.7817 124.3908 56.4634 40.8892 173.8109 26 A 3.8942 8.1473 122.3706 53.3914 18.3271 178.2005 27 N 3.8722 8.7126 121.2288 55.6429 35.4908 174.2407 28 G 3.1149 6.6643 101.0638 46.3333 0.0000 174.1571 29 V 4.3486 6.9128 117.8284 60.3805 34.0139 174.3219 30 A 4.1629 8.4724 131.5487 51.6338 19.4086 175.6172 31 E 5.3595 8.9996 123.1721 54.3116 33.3631 174.7499 32 W 6.0804 9.4562 124.2982 55.5071 34.0281 174.0868 33 I 5.9930 9.4904 116.1630 58.8459 41.2398 174.4178 34 S 4.6991 8.6659 117.9202 57.1197 64.4207 174.7376 35 S 4.4913 8.0262 115.6581 57.1293 60.6271 170.9798 36 N 5.1050 7.3546 118.2366 51.4303 43.2831 174.6886 37 S 4.3619 8.4024 112.6217 58.3144 63.7163 175.0692 38 R 3.9432 8.7162 122.5531 59.7984 30.0659 178.0796 39 S 4.3908 8.3383 112.9177 61.3208 62.9180 175.5614 40 Q 4.6250 8.1189 117.6634 55.7522 29.0853 175.1310 41 A 4.9749 7.2470 118.0463 50.4411 21.7781 177.0764 42 Y 4.3859 9.7441 118.8962 57.3942 39.8020 174.8084 43 K 5.2601 8.9542 123.4501 54.8582 36.4679 175.1811 44 V 5.2038 9.1370 125.8037 61.7605 34.9530 173.8277 45 T 6.0279 9.5133 117.8491 59.6311 72.3097 172.5256 46 C 5.4576 8.6325 122.2369 58.5730 35.4473 172.5709 47 S 4.7594 9.0369 119.0432 57.2853 66.2194 173.5179 48 V 4.7427 8.2022 122.1518 60.6932 34.0051 174.7947 49 R 4.2850 7.5102 116.2512 55.7116 31.8585 173.5147 50 Q 4.4011 8.8105 124.2759 54.9824 29.1918 174.6806 51 S 3.9918 8.0714 123.0140 60.2519 62.6127 175.6672 52 S 4.2310 8.3983 111.8685 57.2608 63.6559 173.9138 53 A 4.3542 8.4109 124.6957 53.0815 18.1624 177.6187 54 N 4.9006 7.9370 113.5803 53.1903 41.1214 174.0828 55 N 5.4266 7.8274 114.7104 51.5477 43.6560 173.4526 56 R 4.6057 8.7134 119.4510 54.4358 33.8914 175.4963 57 K 5.0711 8.5182 120.1135 55.0476 35.5965 175.2100 58 Y 4.5104 9.2159 124.0505 57.5859 40.1524 175.4026 59 T 5.0424 9.0558 119.1247 62.0897 71.7789 172.6639 60 V 4.9397 8.6959 126.9761 61.0779 34.3010 174.7017 61 K 5.1224 9.2742 125.9518 54.7379 36.4678 175.3254 62 V 4.9688 8.5788 123.8638 61.1592 34.8461 173.7597 63 E 5.0126 9.3977 127.4666 54.4837 32.4004 174.9845 64 V 4.3382 8.4228 124.2832 60.3500 34.2569 173.3712 65 P 4.8161 0.0000 0.0000 61.3723 33.5816 174.8729 66 K 4.2917 8.0542 119.9060 54.5878 34.4824 175.5219 67 V 3.9533 7.8249 118.6084 60.0145 34.2345 174.1141 68 A 4.4278 7.8167 124.5772 53.2178 25.9147 177.7536 *82 W 5.0562 7.3120 114.0254 56.6541 31.5203 175.6666 83 R 4.4378 7.8627 117.7872 56.1590 30.5010 175.3929 84 S 4.7464 8.7769 116.1830 56.9924 65.6211 172.3929 85 Y 5.0701 8.5540 119.4160 56.6282 40.0644 174.5994 86 M 4.8400 8.9109 122.2378 54.0023 35.8262 174.5280 87 N 5.1013 8.7017 123.3077 53.0457 41.3188 172.7357 88 M 4.8887 9.6869 127.0031 53.6556 35.7343 174.2786 89 E 5.0711 8.8300 123.4420 54.6596 32.6531 174.8981 90 L 4.6362 9.2589 128.4184 53.7011 44.0879 175.1041 91 T 5.0115 8.5671 123.6536 62.3769 69.9928 174.3853 92 I 4.5662 8.9379 127.6087 58.6583 40.4074 173.5532 93 P 5.3971 0.0000 0.0000 62.0058 32.0048 177.9125 94 V 3.4195 8.1773 122.0941 65.9963 31.4467 177.4776 95 F 4.4572 7.1986 115.6692 58.4688 38.9784 175.2021 96 A 4.2481 7.6251 125.6352 52.3096 18.6676 178.3923 97 T 4.3339 8.9646 114.5445 60.8419 71.2737 175.7956 98 N 4.3068 8.6038 118.4396 56.7529 38.3606 177.0493 99 D 4.3917 8.1423 118.1009 57.6547 41.1867 178.2308 100 D 4.5486 8.5592 119.2990 57.9026 40.8351 178.6644 101 C 3.9986 8.1749 116.5430 62.8991 28.1603 175.9143 102 A 3.9453 7.9364 122.1772 55.5529 17.9046 178.8864 103 L 3.8201 7.8536 118.2259 58.4944 42.1565 179.0831 104 I 3.6357 7.6512 118.7532 64.6781 37.1144 177.8223 105 V 3.5025 8.1062 118.9076 66.0927 31.2715 177.9146 106 K 4.0190 8.1821 117.6529 59.6757 31.9882 178.7823 107 A 3.9232 7.9679 120.5738 55.1215 18.3536 179.4990 108 L 3.7547 7.6212 117.0406 58.1652 41.5436 179.5106 109 Q 4.1550 8.0907 116.7519 59.5714 29.0197 179.4377 110 G 3.6549 8.6233 106.9302 47.8092 0.0000 175.4209 111 T 3.6849 8.0542 113.6031 63.6228 68.5319 175.0495 112 F 4.9682 7.4241 117.1267 56.0528 40.6814 176.0144 113 K 4.0434 7.7056 121.1796 56.3830 32.6274 176.0988 114 T 4.0429 8.3373 121.6051 65.5394 68.7681 174.7327 115 G 3.9645 9.0676 113.1178 45.1757 0.0000 172.6928 116 N 4.7741 8.0313 117.7354 52.2576 39.6691 175.5632 117 P 3.3783 0.0000 0.0000 61.9216 32.5918 177.5670 118 I 4.0991 7.7918 117.6781 65.4497 37.6004 177.3842 119 A 4.0825 8.2831 121.0578 55.8907 18.0189 179.4071 120 T 3.8009 8.0320 106.0977 65.0723 68.5040 175.8601 121 A 4.0257 9.0653 124.2991 54.9605 18.4777 179.2900 122 I 3.6413 8.0937 117.2855 64.7405 37.1864 178.5459 123 A 4.3089 8.1221 119.4713 54.3820 18.1473 178.4239 124 A 4.4820 7.4220 116.5558 50.8034 19.8224 175.8992 125 N 4.2231 8.6770 115.4275 55.2818 37.8026 173.7008 126 S 4.8717 8.3231 110.7756 56.4123 67.4056 174.8715 127 G 4.1519 8.3698 111.6983 45.2629 0.0000 172.4830 128 I 4.5090 8.3663 122.0213 59.7442 39.0066 175.1758 129 Y 4.4543 8.0239 122.1561 57.2029 38.0171 175.0402 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.25 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 2 S 8.20 5.20 0.00 4.05 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 3 N 8.65 4.60 0.00 2.81 2.90 0.00 0.00 7.08 7.45 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 4 F 8.09 4.61 0.00 2.81 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 5 E 8.83 4.94 0.00 2.15 1.94 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 2.31 2.61 0.00 6 E 8.79 4.50 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 7 F 8.63 5.01 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.25 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 0.73 0.00 0.00 0.91 0.00 0.00 9 L 8.42 4.06 0.00 1.22 1.42 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.37 4.11 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 0.86 0.00 0.00 0.84 0.00 0.00 11 D 8.73 5.00 0.00 2.64 2.57 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 12 N 8.59 4.71 0.00 2.68 2.77 0.00 0.00 7.21 8.84 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 13 G 9.27 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 0.00 0.00 0.00 0.00 14 G 7.48 4.11 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 0.00 0.00 0.00 15 T 8.03 4.30 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 1.19 0.00 0.00 16 G 9.09 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 0.00 0.00 0.00 17 D 7.83 4.44 0.00 2.54 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 18 V 8.30 4.17 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 0.06 0.00 0.00 0.46 0.00 0.00 19 K 8.22 4.60 0.00 1.59 1.62 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.36 7.81 20 V 8.50 4.63 1.53 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 0.26 0.00 0.00 0.92 0.00 0.00 21 A 9.36 5.38 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 22 P 0.00 4.69 0.00 1.58 0.61 0.00 3.69 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.27 0.00 23 S 8.67 4.60 0.00 3.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.77 4.63 0.00 2.85 2.80 0.00 0.00 6.62 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 25 F 8.78 5.30 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 3.89 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 27 N 8.71 3.87 0.00 2.81 2.87 0.00 0.00 7.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 6.66 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 0.00 0.00 0.00 29 V 6.91 4.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 30 A 8.47 4.16 0.17 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 31 E 9.00 5.36 0.00 2.14 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 0.00 2.35 2.40 0.00 32 W 9.46 6.08 0.00 3.56 2.89 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 33 I 9.49 5.99 1.98 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 1.01 1.36 1.04 0.00 0.00 34 S 8.67 4.70 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 35 S 8.03 4.49 0.00 3.85 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 36 N 7.35 5.10 0.00 2.81 2.75 0.00 0.00 7.26 7.57 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 37 S 8.40 4.36 0.00 4.05 4.04 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 38 R 8.72 3.94 0.00 1.81 2.07 0.00 3.35 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 39 S 8.34 4.39 0.00 4.06 4.12 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 0.00 0.00 0.00 40 Q 8.12 4.62 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 41 A 7.25 4.97 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 42 Y 9.74 4.39 0.00 2.83 2.89 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 43 K 8.95 5.26 0.00 1.89 1.67 0.00 1.69 0.00 0.00 2.04 0.00 0.00 2.87 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.49 7.81 44 V 9.14 5.20 2.35 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 1.02 0.00 0.00 1.02 0.00 0.00 45 T 9.51 6.03 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 1.36 0.00 0.00 46 C 8.63 5.46 0.00 3.19 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 47 S 9.04 4.76 0.00 3.93 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 48 V 8.20 4.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 49 R 7.51 4.28 0.00 1.81 1.89 0.00 2.97 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 50 Q 8.81 4.40 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 51 S 8.07 3.99 0.00 4.03 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 52 S 8.40 4.23 0.00 3.86 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 53 A 8.41 4.35 1.26 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 0.00 0.00 54 N 7.94 4.90 0.00 2.59 2.79 0.00 0.00 6.72 6.73 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 55 N 7.83 5.43 0.00 2.56 2.62 0.00 0.00 6.98 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 56 R 8.71 4.61 0.00 1.78 1.61 0.00 2.92 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 57 K 8.52 5.07 0.00 1.63 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 58 Y 9.22 4.51 0.00 2.87 2.86 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 59 T 9.06 5.04 4.30 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 1.31 0.00 0.00 60 V 8.70 4.94 2.14 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 1.01 0.00 0.00 1.01 0.00 0.00 61 K 9.27 5.12 0.00 1.78 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 62 V 8.58 4.97 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 1.02 0.00 0.00 0.97 0.00 0.00 63 E 9.40 5.01 0.00 1.89 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 64 V 8.42 4.34 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 65 P 0.00 4.82 0.00 1.88 1.82 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.00 66 K 8.05 4.29 0.00 1.51 1.61 0.00 1.46 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.19 7.81 67 V 7.82 3.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.83 0.00 0.00 68 A 7.82 4.43 1.08 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 *82 W 7.31 5.06 0.00 3.30 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 83 R 7.86 4.44 0.00 1.51 1.81 0.00 3.06 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 0.00 84 S 8.78 4.75 0.00 3.83 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 85 Y 8.55 5.07 0.00 2.87 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 86 M 8.91 4.84 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 87 N 8.70 5.10 0.00 2.78 2.71 0.00 0.00 6.77 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 9.69 4.89 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 89 E 8.83 5.07 0.00 1.88 1.87 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 2.23 2.30 0.00 90 L 9.26 4.64 0.00 1.77 1.67 0.96 0.66 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 91 T 8.57 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 92 I 8.94 4.57 1.99 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 1.30 0.91 0.98 0.00 0.00 93 P 0.00 5.40 0.00 2.18 2.13 0.00 3.93 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 2.20 2.17 0.00 94 V 8.18 3.42 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 0.55 0.00 0.00 0.84 0.00 0.00 95 F 7.20 4.46 0.00 3.14 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 96 A 7.63 4.25 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 97 T 8.96 4.33 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 1.28 0.00 0.00 98 N 8.60 4.31 0.00 2.84 2.92 0.00 0.00 6.78 8.08 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 99 D 8.14 4.39 0.00 2.65 2.76 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 0.00 100 D 8.56 4.55 0.00 2.97 2.76 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 0.00 101 C 8.17 4.00 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.94 3.95 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 0.00 103 L 7.85 3.82 0.00 1.78 1.78 0.91 1.12 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 0.00 104 I 7.65 3.64 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.13 0.90 0.00 0.00 105 V 8.11 3.50 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 1.06 0.00 0.00 0.91 0.00 0.00 106 K 8.18 4.02 0.00 2.00 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 107 A 7.97 3.92 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 0.00 108 L 7.62 3.75 0.00 1.84 1.86 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.09 4.15 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 110 G 8.62 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.05 3.68 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 1.01 0.00 0.00 112 F 7.42 4.97 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 0.00 113 K 7.71 4.04 0.00 1.94 1.70 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 114 T 8.34 4.04 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 1.23 0.00 0.00 115 G 9.07 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 0.00 0.00 0.00 116 N 8.03 4.77 0.00 2.99 2.70 0.00 0.00 6.98 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 0.00 117 P 0.00 3.38 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 118 I 7.79 4.10 2.09 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.59 1.06 0.00 0.00 119 A 8.28 4.08 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 0.00 0.00 120 T 8.03 3.80 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 0.00 121 A 9.07 4.03 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 0.00 122 I 8.09 3.64 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.93 0.00 0.00 123 A 8.12 4.31 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 0.00 124 A 7.42 4.48 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 0.00 125 N 8.68 4.22 0.00 2.82 2.90 0.00 0.00 6.87 7.53 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 0.00 126 S 8.32 4.87 0.00 3.99 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 0.00 127 G 8.37 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 0.00 0.00 0.00 128 I 8.37 4.51 1.91 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 1.51 0.95 0.89 0.00 0.00 129 Y 8.02 4.45 0.00 3.04 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.