NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4138 8.1927 115.4070 57.7653 64.7436 174.1987 4 R 3.6710 8.5606 120.8588 58.9388 29.7479 176.9558 5 L 3.9805 8.3103 120.3443 57.9650 42.4243 178.4257 6 K 4.0386 7.8775 119.7941 59.6933 32.1788 178.7924 7 T 3.8069 8.0338 115.8530 66.7254 68.3275 176.3652 8 A 4.0520 8.0401 122.4577 55.0771 18.4306 179.6783 9 V 3.6644 8.0963 116.9136 66.4833 31.5368 177.6334 10 Y 3.9152 8.4797 116.3274 61.5051 37.7334 178.5173 11 D 4.4005 8.4138 119.4942 57.7024 40.7729 178.3947 12 Y 4.2185 8.4274 120.3466 60.6560 38.6973 177.5359 13 L 3.5526 8.2054 119.4254 58.0190 41.8216 178.5179 14 N 4.4008 8.8065 112.5598 53.3351 38.9549 174.5271 15 D 4.2682 7.8286 117.8802 55.1193 39.9561 173.8489 16 V 3.7193 7.9828 119.4067 62.3071 32.8848 174.6228 17 D 4.3288 8.7881 126.0818 54.7082 40.5288 176.0759 18 I 4.5514 8.2512 125.7824 60.6783 35.7136 173.2774 19 T 4.2181 7.7767 118.6404 61.4270 72.5705 174.4255 20 E 4.4814 8.4722 120.9750 55.6052 29.6456 174.1873 21 C 4.7327 7.9441 117.6888 57.5871 32.5046 173.7031 22 T 4.1644 7.9714 117.8337 63.0903 69.2501 174.5541 23 E 4.5816 7.8824 121.7678 54.4508 32.3501 175.9977 *25 D 4.5118 8.5236 121.3411 54.0559 43.3866 177.1725 26 L 4.0473 7.8895 119.8242 57.6137 42.4121 177.8050 27 L 3.9747 7.8125 120.4375 58.5455 41.7014 178.3423 28 C 4.0128 8.1303 117.5834 63.0060 31.4839 175.5953 29 Q 4.0117 7.8373 119.0491 58.2164 28.1942 178.4673 30 L 3.8487 8.5081 123.1203 58.1583 42.1067 179.1444 31 S 3.7628 8.0090 113.9776 61.0333 62.9061 176.0912 32 N 4.3360 7.8702 120.3767 56.1651 38.2333 176.4581 33 C 4.3590 7.9064 119.4380 60.0366 39.6345 175.2359 34 C 4.0120 8.1101 118.3446 63.0587 27.7849 175.8341 35 D 4.4579 8.4561 120.6130 57.5639 40.3655 178.8677 36 F 4.2442 8.1057 121.0470 61.2782 39.4196 177.2525 37 I 3.3626 7.7896 119.4751 64.2742 36.6537 177.7513 38 N 4.4713 8.5238 117.0840 56.7068 38.7878 176.2309 39 E 4.0496 7.7792 119.3610 59.7845 29.8994 178.7188 40 T 3.7895 7.4246 114.4471 65.8173 68.6650 175.5987 41 Y 4.0240 8.1998 116.9188 57.5543 37.9800 177.1635 42 A 4.0250 7.7240 124.7140 55.4271 18.5649 180.5093 43 K 3.9205 7.8591 116.3041 59.6322 32.0421 179.2057 44 N 4.2738 7.8245 116.2951 56.4976 38.4195 176.8313 45 Y 4.1891 7.9129 117.8730 60.5181 37.7959 177.7514 46 D 4.3752 8.0126 120.3020 57.6546 40.8141 178.7970 47 T 3.8699 7.7302 115.7958 66.6720 68.1980 176.7253 48 L 4.0327 7.1980 120.0757 57.8793 41.7306 178.8329 49 Y 4.5095 7.6143 116.1730 60.9324 37.7907 177.8641 50 D 4.6173 7.7527 119.8645 56.9351 41.1319 178.0623 51 I 4.0814 7.2870 111.7399 61.4186 39.0860 176.9222 *53 E 4.3582 8.1209 121.8778 57.4658 31.5910 177.2778 54 R 3.8913 8.0381 117.6893 59.7794 30.1630 178.0090 55 D 4.4000 8.0987 118.0066 57.2902 40.7599 178.8642 56 I 3.6661 7.6051 119.8253 64.5514 37.1780 178.4010 57 L 4.1249 8.1220 118.9033 57.1787 41.5511 178.8109 58 S 4.4316 8.1215 111.9422 57.7283 63.8493 173.1003 59 Y 3.4509 7.8290 122.6166 58.9003 37.9733 171.4707 60 N 4.6800 8.3341 116.9198 51.5803 36.0354 173.3015 61 I 3.4910 7.5049 126.6147 64.2677 37.7636 177.2980 62 V 3.5314 7.8204 118.1692 66.4061 31.0535 177.3422 63 N 4.3751 8.5678 115.7274 56.6900 38.4767 177.4427 64 I 3.7446 7.7538 120.8513 64.2833 37.1527 178.6693 65 K 4.1227 8.4330 119.8283 59.3390 31.8972 178.5790 66 N 4.7106 8.0638 115.1376 54.4447 37.6679 177.2353 67 T 3.8317 7.7009 118.9912 66.9245 68.3951 176.3054 68 L 4.0392 7.8247 119.8321 58.1766 42.1023 179.3915 69 T 4.0331 8.0154 115.7350 66.5524 68.3536 176.3614 70 F 4.0158 8.1727 122.0048 61.2716 39.3502 176.8829 71 A 4.2770 8.2350 117.9067 53.8594 18.5064 178.2512 72 L 4.5281 7.5582 116.3576 53.1454 42.1677 176.2361 73 R 3.8603 7.2500 118.8735 57.7257 30.1398 175.9590 74 D 4.3361 8.7646 122.6630 54.9984 38.4346 173.8862 75 A 4.0967 7.7161 121.9283 51.7872 19.1591 179.4907 76 S 4.3659 8.3832 117.6751 57.2524 65.3208 173.5171 77 P 3.9910 0.0000 0.0000 65.9837 30.9153 178.6983 78 S 3.3138 7.7610 113.0826 61.6454 62.7669 177.0792 79 V 3.4895 7.4166 119.9980 65.7629 31.2343 177.8761 80 K 3.7738 8.3297 118.6327 59.8096 31.8966 179.2280 81 L 3.8936 7.8810 118.7976 57.3746 41.5017 179.3009 82 A 3.7712 8.0196 121.0936 55.4340 18.2020 179.8611 83 T 3.7722 8.3146 114.6286 66.4295 68.4455 176.5339 84 L 3.8867 7.9336 122.6145 58.5921 42.1205 179.3152 85 T 3.9784 8.0855 109.5709 64.5668 68.6785 176.0179 86 L 3.2821 7.6672 123.3152 57.8173 41.9965 178.7964 87 L 3.7362 7.9709 120.0277 57.4645 42.0133 178.7306 88 A 3.7086 7.8620 121.1974 55.0521 18.3129 179.4857 89 S 3.8708 7.6452 111.1532 61.4219 62.4146 176.3765 90 V 3.4179 7.4278 120.5874 66.2292 31.2313 178.0484 91 I 3.5929 7.6606 119.3747 64.2960 36.6036 178.6255 92 K 3.9932 7.5338 118.4001 59.0457 32.1180 179.2595 93 K 4.0978 7.8177 118.8722 59.2589 32.1499 179.3364 94 L 4.1504 8.5939 119.6472 57.9005 41.3075 179.1945 95 N 5.2233 7.9574 116.5915 55.2531 38.4476 177.0728 96 K 4.1533 7.8520 119.6804 58.7621 32.1704 178.9328 97 I 4.0686 7.5343 119.4123 62.3436 38.0573 175.6329 98 Q 4.4365 7.0565 118.4076 53.9220 32.3269 173.1285 99 H 4.6651 8.7636 121.9926 56.1401 30.1703 174.5790 100 T 4.5877 8.6837 116.9261 59.8819 70.5806 173.8426 101 D 4.6523 8.5061 125.7735 52.9881 42.0424 176.4576 102 A 4.0245 8.8803 123.5517 54.9512 18.5391 179.8225 103 A 4.4377 7.6925 121.1089 52.0416 17.2718 177.6196 *105 F 4.5605 7.8891 114.9023 57.8411 41.1381 178.0587 106 S 4.2324 8.4892 116.7637 61.7383 61.8852 174.9347 107 E 3.9262 8.1880 121.1333 59.3275 29.4806 178.6950 108 V 3.6223 7.8496 117.6220 66.2277 31.6684 177.8047 109 I 3.7475 8.2375 119.8742 64.5659 36.7104 177.9756 110 D 4.5614 8.5126 119.3392 57.3874 40.4111 179.1163 111 G 3.7131 7.8463 106.1216 47.9869 0.0000 176.0047 112 I 3.8137 7.6758 121.2027 62.9615 37.1431 177.5954 113 V 4.2232 7.2868 116.0454 61.5450 32.1820 175.4556 114 A 4.0790 7.0269 119.2906 53.3969 19.5874 176.8993 115 E 3.7803 8.6857 116.5996 57.5484 27.0495 176.1381 116 E 3.9779 7.7528 119.9585 59.2283 30.1799 177.7318 117 Q 3.9944 8.0090 117.9153 58.9650 28.8914 178.2787 118 Q 4.0036 8.0504 118.5975 58.9542 28.7754 179.1488 119 V 3.5540 7.9317 119.0484 66.1633 31.7568 178.0043 120 I 3.8218 8.3481 120.0787 64.4447 36.8218 178.4568 121 G 3.6916 8.4444 106.7696 47.7610 0.0000 175.4615 122 F 3.9435 8.0175 122.4517 61.2161 39.2895 176.9917 123 I 3.7676 7.6564 118.0029 64.6161 37.0194 177.6249 124 Q 4.2589 7.8307 116.3956 57.3293 29.3897 175.8096 125 K 3.7352 8.0316 117.6373 56.8322 34.2287 178.0705 126 K 3.3322 7.0789 119.3172 59.7114 32.6265 179.4440 127 C 3.7223 6.9730 118.5060 59.5761 39.1665 175.6660 128 K 3.7339 7.5733 119.2083 59.6948 31.6026 178.7054 129 Y 4.2699 7.4572 116.7173 61.2313 37.7180 178.0949 130 N 4.3018 8.6252 117.5709 56.9246 38.7406 177.2392 131 T 2.5370 7.3569 116.7089 66.8490 68.4881 176.7001 132 T 3.9259 7.8012 117.1288 66.5615 68.3884 176.1195 133 Y 4.0606 8.1580 120.7450 61.0227 39.0428 177.6078 134 Y 4.3051 8.5381 120.3284 61.0745 38.8873 177.7748 135 N 4.4347 8.2057 115.4432 55.6244 38.7391 176.9861 136 V 3.8167 7.6736 118.2095 64.1168 31.6659 176.3471 137 R 4.2712 7.3012 116.2698 56.0341 30.2595 176.4273 138 S 4.0856 7.8956 120.0264 59.0989 62.6408 170.8806 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 3 S 8.19 4.41 0.00 4.01 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 4 R 8.56 3.67 0.00 1.98 2.12 0.00 3.41 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 5 L 8.31 3.98 0.00 1.91 1.84 0.93 0.71 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 6 K 7.88 4.04 0.00 1.84 1.75 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.55 7.81 7 T 8.03 3.81 4.39 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 1.20 0.00 0.00 8 A 8.04 4.05 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 9 V 8.10 3.66 2.37 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 1.05 0.00 0.00 1.06 0.00 0.00 10 Y 8.48 3.92 0.00 3.23 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 11 D 8.41 4.40 0.00 3.01 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 12 Y 8.43 4.22 0.00 3.00 3.18 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 13 L 8.21 3.55 0.00 1.46 1.55 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.81 4.40 0.00 2.84 2.89 0.00 0.00 7.27 8.69 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 15 D 7.83 4.27 0.00 2.57 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 16 V 7.98 3.72 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 0.85 0.00 0.00 1.02 0.00 0.00 17 D 8.79 4.33 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 18 I 8.25 4.55 1.91 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 1.50 0.64 0.94 0.00 0.00 19 T 7.78 4.22 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 1.22 0.00 0.00 20 E 8.47 4.48 0.00 1.97 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 2.25 2.23 0.00 21 C 7.94 4.73 0.00 3.00 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 22 T 7.97 4.16 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 1.22 0.00 0.00 23 E 7.88 4.58 0.00 2.00 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 0.00 2.29 2.35 0.00 *25 D 8.52 4.51 0.00 2.70 2.70 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 26 L 7.89 4.05 0.00 1.79 1.63 0.91 0.54 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 27 L 7.81 3.97 0.00 1.94 1.72 0.98 0.86 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 28 C 8.13 4.01 0.00 3.04 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 29 Q 7.84 4.01 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 30 L 8.51 3.85 0.00 1.65 1.77 0.80 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.01 3.76 0.00 4.18 4.02 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 32 N 7.87 4.34 0.00 2.88 2.91 0.00 0.00 6.51 7.47 0.00 0.00 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 C 7.91 4.36 0.00 3.08 3.28 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 34 C 8.11 4.01 0.00 3.02 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 35 D 8.46 4.46 0.00 3.06 2.82 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 36 F 8.11 4.24 0.00 3.07 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 37 I 7.79 3.36 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.45 0.00 0.00 38 N 8.52 4.47 0.00 2.91 3.02 0.00 0.00 7.22 7.51 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 39 E 7.78 4.05 0.00 2.20 1.80 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 2.36 2.40 0.00 40 T 7.42 3.79 3.62 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 0.99 0.00 0.00 41 Y 8.20 4.02 0.00 2.55 1.81 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 42 A 7.72 4.03 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 43 K 7.86 3.92 0.00 1.71 1.81 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 44 N 7.82 4.27 0.00 2.61 2.76 0.00 0.00 7.16 7.48 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 45 Y 7.91 4.19 0.00 2.81 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 0.00 0.00 0.00 46 D 8.01 4.38 0.00 2.89 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 47 T 7.73 3.87 4.31 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 1.20 0.00 0.00 48 L 7.20 4.03 0.00 1.48 1.64 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.61 4.51 0.00 2.96 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 50 D 7.75 4.62 0.00 2.85 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 51 I 7.29 4.08 1.87 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 1.59 0.75 0.91 0.00 0.00 *53 E 8.12 4.36 0.00 2.24 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 2.29 2.32 0.00 54 R 8.04 3.89 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 55 D 8.10 4.40 0.00 2.76 2.70 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 56 I 7.61 3.67 2.01 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 1.61 0.67 0.89 0.00 0.00 57 L 8.12 4.12 0.00 1.62 1.76 0.93 0.98 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 58 S 8.12 4.43 0.00 4.06 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 0.00 59 Y 7.83 3.45 0.00 3.08 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 60 N 8.33 4.68 0.00 2.76 2.69 0.00 0.00 7.25 7.97 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 61 I 7.50 3.49 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.53 0.00 0.00 62 V 7.82 3.53 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 1.06 0.00 0.00 0.91 0.00 0.00 63 N 8.57 4.38 0.00 3.19 3.07 0.00 0.00 7.14 7.19 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 64 I 7.75 3.74 2.10 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 1.51 0.61 0.92 0.00 0.00 65 K 8.43 4.12 0.00 2.00 1.90 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.67 1.52 7.81 66 N 8.06 4.71 0.00 3.04 3.10 0.00 0.00 7.05 7.86 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 67 T 7.70 3.83 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 1.20 0.00 0.00 68 L 7.82 4.04 0.00 1.66 1.72 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.02 4.03 4.31 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 1.24 0.00 0.00 70 F 8.17 4.02 0.00 3.26 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 71 A 8.24 4.28 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 72 L 7.56 4.53 0.00 1.88 1.67 0.94 0.71 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 73 R 7.25 3.86 0.00 1.61 1.74 0.00 2.83 0.00 0.00 2.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 74 D 8.76 4.34 0.00 2.76 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 75 A 7.72 4.10 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 76 S 8.38 4.37 0.00 4.04 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 77 P 0.00 3.99 0.00 2.04 2.03 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 78 S 7.76 3.31 0.00 3.83 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 79 V 7.42 3.49 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 0.95 0.00 0.00 0.92 0.00 0.00 80 K 8.33 3.77 0.00 1.79 1.88 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.58 7.81 81 L 7.88 3.89 0.00 1.46 1.57 0.79 1.00 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 82 A 8.02 3.77 1.04 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 0.00 0.00 83 T 8.31 3.77 4.33 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 1.18 0.00 0.00 84 L 7.93 3.89 0.00 1.72 1.82 0.98 0.61 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 85 T 8.09 3.98 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 1.25 0.00 0.00 86 L 7.67 3.28 0.00 1.30 1.68 0.61 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.97 3.74 0.00 1.55 1.67 -0.12 0.83 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 88 A 7.86 3.71 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.65 3.87 0.00 3.82 3.77 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 0.00 0.00 0.00 0.00 90 V 7.43 3.42 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 0.86 0.00 0.00 0.89 0.00 0.00 91 I 7.66 3.59 1.91 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.01 0.85 0.00 0.00 92 K 7.53 3.99 0.00 1.83 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 93 K 7.82 4.10 0.00 1.85 1.76 0.00 1.35 0.00 0.00 1.36 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 94 L 8.59 4.15 0.00 1.69 1.85 0.97 0.62 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 95 N 7.96 5.22 0.00 2.99 2.89 0.00 0.00 7.00 7.77 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 96 K 7.85 4.15 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 97 I 7.53 4.07 2.17 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 1.47 0.40 0.79 0.00 0.00 98 Q 7.06 4.44 0.00 1.35 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 99 H 8.76 4.67 0.00 3.10 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.68 4.59 4.38 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 1.54 0.00 0.00 101 D 8.51 4.65 0.00 2.67 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 0.00 102 A 8.88 4.02 0.81 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 0.00 103 A 7.69 4.44 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 *105 F 7.89 4.56 0.00 3.21 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 0.00 106 S 8.49 4.23 0.00 4.12 3.93 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 0.00 0.00 0.00 107 E 8.19 3.93 0.00 2.14 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 2.40 2.45 0.00 108 V 7.85 3.62 2.33 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 1.00 0.00 0.00 1.04 0.00 0.00 109 I 8.24 3.75 2.11 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 1.07 0.00 0.00 110 D 8.51 4.56 0.00 2.84 2.78 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 0.00 111 G 7.85 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 0.00 112 I 7.68 3.81 2.01 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 1.53 0.55 0.89 0.00 0.00 113 V 7.29 4.22 2.37 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 0.87 0.00 0.00 0.98 0.00 0.00 114 A 7.03 4.08 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 0.00 115 E 8.69 3.78 0.00 2.11 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 2.30 2.20 0.00 116 E 7.75 3.98 0.00 2.20 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 2.38 2.40 0.00 117 Q 8.01 3.99 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 118 Q 8.05 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 119 V 7.93 3.55 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 0.99 0.00 0.00 1.01 0.00 0.00 120 I 8.35 3.82 1.98 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 1.46 0.87 0.91 0.00 0.00 121 G 8.44 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 0.00 0.00 0.00 122 F 8.02 3.94 0.00 3.13 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 0.00 123 I 7.66 3.77 2.04 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 1.56 0.77 0.89 0.00 0.00 124 Q 7.83 4.26 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 125 K 8.03 3.74 0.00 1.57 1.09 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.27 7.81 126 K 7.08 3.33 0.00 1.46 0.98 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.48 7.81 127 C 6.97 3.72 0.00 2.71 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 0.00 128 K 7.57 3.73 0.00 1.79 1.84 0.00 1.50 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 129 Y 7.46 4.27 0.00 3.02 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 0.00 130 N 8.63 4.30 0.00 2.69 2.95 0.00 0.00 7.06 7.21 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 0.00 131 T 7.36 2.54 4.10 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 1.03 0.00 0.00 132 T 7.80 3.93 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 1.22 0.00 0.00 133 Y 8.16 4.06 0.00 3.04 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 0.00 134 Y 8.54 4.31 0.00 3.45 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 0.00 135 N 8.21 4.43 0.00 2.90 2.90 0.00 0.00 7.10 7.19 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 0.00 136 V 7.67 3.82 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 0.73 0.00 0.00 0.91 0.00 0.00 137 R 7.30 4.27 0.00 1.75 1.71 0.00 2.90 0.00 0.00 2.71 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 138 S 7.90 4.09 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.