NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2699 8.2649 123.5769 52.6072 20.6138 177.3225 3 Q 4.2931 7.8586 115.6706 55.4414 28.9654 174.3695 4 Q 3.3038 6.9801 116.3268 60.1580 28.2283 174.4855 5 S 3.8102 6.8948 113.2343 57.6804 62.0330 171.8386 6 P 4.1351 0.0000 0.0000 62.3019 32.4236 177.1247 7 Y 3.6207 7.7870 113.1518 58.0667 35.6042 169.4690 8 S 4.0913 7.7770 115.2415 58.3318 62.6600 174.5680 9 A 3.9167 9.2547 129.4801 55.7647 18.1869 178.8697 10 A 3.1159 6.7166 109.6478 53.6542 19.8860 176.6732 11 M 4.6697 8.3420 111.6784 53.8175 33.6132 176.8845 12 A 4.2316 7.7923 117.8011 53.2778 18.2179 179.9118 13 E 3.9681 7.9635 117.8258 59.0005 29.9310 178.3866 14 Q 4.0099 8.0107 119.5443 59.4690 29.1680 178.5422 15 R 4.2498 8.0730 118.4402 59.3919 30.0543 178.5116 16 H 4.4258 7.8319 118.0161 59.3462 29.8198 177.1758 17 E 4.0855 8.8812 120.6711 59.0892 29.1229 179.2195 18 E 4.0398 8.7337 119.5703 58.9507 29.5108 178.8649 19 W 4.4244 8.6775 128.8300 60.7266 30.8326 178.0837 20 L 3.5546 8.0124 118.6886 57.4136 40.9574 179.4833 21 R 3.8516 7.6194 119.1881 58.9775 29.8635 178.4254 22 F 3.9479 7.7519 120.3462 61.1581 39.5531 176.9891 23 V 2.9969 7.0866 117.9436 66.1827 31.1081 177.7536 24 D 4.1863 7.7428 118.1532 57.0870 40.5565 178.4608 25 L 3.7895 7.5381 120.7531 58.1288 42.0360 178.8037 26 L 3.6549 7.5001 120.3384 57.6552 41.7099 178.7290 27 K 3.8975 7.6258 119.4583 59.6794 32.1011 178.4807 28 N 4.2916 8.0458 116.3265 56.1174 38.3680 176.9768 29 A 3.9345 8.0023 122.3409 55.6768 18.4351 179.1799 30 Y 3.9945 8.0680 114.9686 61.5540 37.7273 179.2312 31 Q 4.1474 7.8186 117.7800 58.1627 28.8235 177.4862 32 N 4.7686 7.9693 114.9430 51.9208 39.0475 174.3997 33 D 4.5608 8.0092 118.9293 55.8763 39.2740 174.1613 34 L 4.6953 7.9983 116.0080 54.5785 42.7741 178.6709 35 H 3.9334 7.9767 118.1489 58.5120 28.3340 176.7475 36 L 3.8524 7.3357 122.9640 57.4660 41.9581 177.1875 37 P 4.2715 0.0000 0.0000 65.5667 31.2577 178.0078 38 L 3.9510 7.7451 119.9264 58.0935 42.1282 178.9284 39 L 4.4144 8.3717 118.9190 57.3302 41.3307 178.8974 40 N 4.4970 7.8591 115.8522 55.3360 38.5895 176.8108 41 L 4.1791 7.6376 121.3414 58.2136 42.4528 178.3736 42 M 4.2704 8.5170 117.5939 56.1621 32.2260 176.3550 43 L 4.9054 7.0704 117.1827 52.9127 44.9285 176.5046 44 T 4.4448 8.5802 111.6382 60.1691 71.6286 174.1109 45 P 4.2549 0.0000 0.0000 65.9789 31.2903 178.4835 46 D 4.3540 8.0324 116.2615 57.3114 41.1954 178.0107 47 E 4.0088 7.9329 118.0156 59.2827 29.2144 179.4625 48 R 3.9599 7.7127 117.0260 59.2854 30.4403 178.6929 49 E 4.1042 8.2297 118.0980 59.4141 29.4956 179.1242 50 A 4.0321 8.1259 120.7776 55.3640 18.3903 179.7297 51 L 4.1199 8.1473 117.5665 57.6084 41.4797 179.9150 52 G 3.6282 8.0295 105.8500 48.2929 0.0000 175.8979 53 T 3.9199 7.8976 118.1568 66.3147 68.3931 176.8715 54 R 3.9743 8.0988 120.0790 59.2451 30.0241 179.4863 55 V 3.6700 7.8644 112.3270 64.2943 31.3959 178.8907 56 R 3.9072 7.7739 117.9115 59.2157 29.9005 179.0070 57 I 3.6757 7.8393 119.5601 64.5487 37.2720 178.6456 58 V 3.5815 8.0890 119.2717 65.8539 31.2999 177.6804 59 E 3.8810 8.3516 119.0596 59.5184 29.6190 178.7977 60 E 4.0171 8.5178 118.7796 59.1262 29.1933 179.4174 61 L 4.0446 7.9107 118.8381 57.6318 41.7709 179.0715 62 L 4.1323 7.5977 117.6814 57.7172 41.4068 179.1316 63 R 4.0477 8.3439 118.9171 57.5491 29.8435 177.2150 64 G 4.5814 7.7871 105.1882 46.4112 0.0000 173.2907 65 E 4.3697 7.6134 119.3049 56.0792 30.3321 175.4948 66 M 4.8348 7.5260 114.4418 52.7121 34.4878 175.5614 67 S 4.3663 8.5404 116.1173 58.5929 65.2101 175.4956 68 Q 4.0791 8.4741 120.2527 58.6174 27.9583 178.7354 69 R 3.9212 7.9069 119.7523 59.1885 30.0793 178.3078 70 E 3.9598 8.2351 118.5423 59.2068 29.4683 178.6151 71 L 3.9018 7.7370 120.3439 58.4147 42.0590 179.0409 72 K 3.8982 8.1774 119.1239 59.5427 32.1720 178.4824 73 N 4.3797 7.7912 115.7705 55.8661 38.3345 176.9793 74 E 4.0154 8.1793 119.9871 59.3486 29.9393 178.4975 75 L 4.3156 8.1567 116.2788 54.3223 42.1351 176.9761 76 G 3.8138 7.5556 105.2999 46.6401 0.0000 173.3988 77 A 4.6960 7.7927 121.1844 49.6802 21.7028 177.5115 78 G 3.9639 8.1191 107.9161 44.6849 0.0000 175.2043 79 I 3.7132 8.2639 120.2132 63.5730 37.9620 178.1512 80 A 4.0244 8.0157 121.5180 55.5174 18.0411 179.5302 81 T 3.9467 7.8214 113.8898 66.5130 68.4706 177.1724 82 I 3.8175 7.5622 121.6340 64.4586 37.2606 178.2691 83 T 3.9406 7.9319 116.7039 66.6251 68.2352 176.8838 84 R 4.0488 8.1573 120.1896 59.1426 29.9886 179.4115 85 G 3.5486 7.8523 105.5387 47.7311 0.0000 175.6043 86 S 4.0992 8.5083 116.3106 61.3407 62.3456 176.1348 87 N 4.3830 8.5863 119.4608 56.3313 38.0102 177.6579 88 S 4.1291 7.8633 115.8561 61.5066 63.2145 176.1360 89 L 4.1176 8.2682 123.3171 58.0867 41.5830 179.0660 90 K 3.9378 7.7487 117.2574 59.4148 32.0942 178.6434 91 A 4.1847 7.6444 118.6826 52.8826 18.8846 177.8163 92 A 4.1558 7.0637 120.1807 51.2648 19.3369 176.3770 93 P 4.4678 0.0000 0.0000 62.0873 33.3914 178.0066 94 V 3.6176 8.4076 120.0110 66.3741 31.5080 178.0914 95 E 3.9783 8.2396 117.5856 59.4821 29.2688 178.9541 96 L 4.0655 7.9013 119.3372 58.3591 42.3069 178.7652 97 R 4.0023 8.1339 118.1582 59.5697 29.9054 179.1230 98 Q 4.2932 8.2516 115.5906 58.5340 28.8436 177.7395 99 W 4.3896 8.1507 130.3924 59.9090 30.8531 177.9489 100 L 3.4900 8.4252 119.3314 57.7598 40.9735 179.0598 101 E 4.1271 8.0115 115.5560 57.8964 29.3114 177.9727 102 E 4.3131 7.3510 117.4926 58.3133 30.8772 178.1445 103 V 3.5594 7.0908 112.0170 64.3279 31.4134 178.2468 104 L 4.4808 7.4992 114.6046 55.2953 42.5105 175.9860 105 L 4.4913 7.1912 125.6408 55.1528 44.7786 176.8965 *106 K 4.1215 9.0538 130.8287 55.6962 32.3453 175.8687 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 8.26 4.27 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 3 Q 7.86 4.29 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 Q 6.98 3.30 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 5 S 6.89 3.81 0.00 3.77 3.79 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 6 P 0.00 4.14 0.00 2.27 2.20 0.00 3.42 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 1.91 2.06 0.00 7 Y 7.79 3.62 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.78 4.09 0.00 4.01 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 9 A 9.25 3.92 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 10 A 6.72 3.12 1.21 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 11 M 8.34 4.67 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 12 A 7.79 4.23 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 13 E 7.96 3.97 0.00 2.10 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 2.42 2.45 0.00 14 Q 8.01 4.01 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 15 R 8.07 4.25 0.00 1.93 2.02 0.00 3.17 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 16 H 7.83 4.43 0.00 3.55 3.53 0.00 5.60 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 17 E 8.88 4.09 0.00 2.35 2.01 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 2.36 2.41 0.00 18 E 8.73 4.04 0.00 2.17 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 2.36 2.56 0.00 19 W 8.68 4.42 0.00 3.45 3.45 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 20 L 8.01 3.55 0.00 1.82 1.58 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.62 3.85 0.00 2.05 2.04 0.00 3.11 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 7.75 3.95 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.09 3.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.04 0.00 0.00 24 D 7.74 4.19 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.54 3.79 0.00 1.77 1.59 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.50 3.65 0.00 0.98 1.35 0.70 0.91 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 27 K 7.63 3.90 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 28 N 8.05 4.29 0.00 3.02 2.81 0.00 0.00 6.96 7.13 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 29 A 8.00 3.93 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 30 Y 8.07 3.99 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.82 4.15 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 32 N 7.97 4.77 0.00 2.67 2.82 0.00 0.00 7.03 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 33 D 8.01 4.56 0.00 2.86 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 34 L 8.00 4.70 0.00 1.60 1.55 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.98 3.93 0.00 2.56 2.51 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.34 3.85 0.00 1.57 1.62 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.27 0.00 2.27 2.26 0.00 3.63 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 2.18 1.97 0.00 38 L 7.75 3.95 0.00 1.85 1.83 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.37 4.41 0.00 1.77 1.76 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.86 4.50 0.00 2.88 2.88 0.00 0.00 6.93 7.91 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 41 L 7.64 4.18 0.00 1.64 1.95 0.93 0.85 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 42 M 8.52 4.27 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 3.00 0.00 43 L 7.07 4.91 0.00 1.76 1.57 0.99 0.85 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 44 T 8.58 4.44 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 1.25 0.00 0.00 45 P 0.00 4.25 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 46 D 8.03 4.35 0.00 2.79 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 47 E 7.93 4.01 0.00 2.24 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 2.32 2.35 0.00 48 R 7.71 3.96 0.00 2.03 2.02 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 49 E 8.23 4.10 0.00 2.04 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 2.34 2.46 0.00 50 A 8.13 4.03 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 51 L 8.15 4.12 0.00 2.03 1.78 1.03 0.98 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 52 G 8.03 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 53 T 7.90 3.92 4.42 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 1.22 0.00 0.00 54 R 8.10 3.97 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 55 V 7.86 3.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 56 R 7.77 3.91 0.00 1.99 1.98 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 57 I 7.84 3.68 2.01 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 0.69 0.92 0.00 0.00 58 V 8.09 3.58 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 1.02 0.00 0.00 1.00 0.00 0.00 59 E 8.35 3.88 0.00 2.06 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 0.00 2.28 2.47 0.00 60 E 8.52 4.02 0.00 2.04 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 2.51 2.49 0.00 61 L 7.91 4.04 0.00 1.81 1.73 0.93 0.85 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 62 L 7.60 4.13 0.00 1.79 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.34 4.05 0.00 2.06 2.08 0.00 3.21 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 G 7.79 4.58 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 65 E 7.61 4.37 0.00 1.75 1.96 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 2.26 2.22 0.00 66 M 7.53 4.83 0.00 2.10 2.05 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 2.45 2.49 0.00 67 S 8.54 4.37 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.47 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 69 R 7.91 3.92 0.00 1.92 1.92 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 70 E 8.24 3.96 0.00 2.23 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 2.33 2.31 0.00 71 L 7.74 3.90 0.00 1.91 1.78 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.18 3.90 0.00 1.87 1.99 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.73 7.81 73 N 7.79 4.38 0.00 2.98 2.84 0.00 0.00 6.58 7.54 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 74 E 8.18 4.02 0.00 2.21 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 2.32 2.36 0.00 75 L 8.16 4.32 0.00 1.73 1.70 0.99 1.21 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 76 G 7.56 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.79 4.70 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.12 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 79 I 8.26 3.71 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 1.57 1.20 0.91 0.00 0.00 80 A 8.02 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.82 3.95 4.34 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 1.22 0.00 0.00 82 I 7.56 3.82 2.01 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 1.64 0.39 0.96 0.00 0.00 83 T 7.93 3.94 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 1.21 0.00 0.00 84 R 8.16 4.05 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 85 G 7.85 3.55 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 0.00 86 S 8.51 4.10 0.00 3.92 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 87 N 8.59 4.38 0.00 2.80 2.85 0.00 0.00 7.11 6.96 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 S 7.86 4.13 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 89 L 8.27 4.12 0.00 2.01 1.78 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.75 3.94 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 91 A 7.64 4.18 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 92 A 7.06 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.47 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 94 V 8.41 3.62 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 1.17 0.00 0.00 0.95 0.00 0.00 95 E 8.24 3.98 0.00 2.10 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 2.40 2.45 0.00 96 L 7.90 4.07 0.00 1.80 1.87 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.13 4.00 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 98 Q 8.25 4.29 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 99 W 8.15 4.39 0.00 3.43 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 3.49 0.00 1.95 1.66 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.01 4.13 0.00 1.93 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 2.33 2.63 0.00 102 E 7.35 4.31 0.00 1.84 1.88 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 2.21 2.62 0.00 103 V 7.09 3.56 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 0.16 0.00 0.00 -0.13 0.00 0.00 104 L 7.50 4.48 0.00 1.66 1.59 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.19 4.49 0.00 1.53 0.61 0.89 0.77 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 *106 K 9.05 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.