NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4635 8.1776 115.2934 58.5253 64.4840 175.8929 13 S 4.0025 7.9638 115.3249 60.4735 62.9277 170.7841 14 V 3.6173 8.6789 122.7496 65.8846 31.5183 178.7030 15 E 3.9715 8.2198 117.5091 59.6677 29.4465 179.0868 16 R 3.8978 8.0697 117.8226 59.7986 30.1781 178.2068 17 Y 4.1931 8.8031 119.4382 60.8508 38.7844 177.9384 18 I 3.4589 8.3126 120.9051 64.4562 37.3415 178.4280 19 V 3.4847 8.4200 119.1502 66.1364 31.2604 178.0337 20 S 4.0797 8.4612 114.9339 61.7367 62.4830 176.6513 21 R 3.7479 7.9841 120.8598 59.6282 29.8172 179.2037 22 L 3.6305 8.0165 118.5640 57.5514 41.4278 179.9072 23 R 4.1664 7.9663 118.2898 59.3589 29.8285 178.5942 24 D 4.5749 8.3235 117.2882 56.0225 40.7873 177.7244 25 K 4.6006 7.4776 117.8957 55.7830 32.3923 176.9032 26 G 3.8891 8.0188 106.8241 45.6420 0.0000 173.7014 27 F 4.6694 8.3739 117.4227 56.1153 40.6598 175.4374 28 A 4.5115 9.1618 125.0925 51.1171 19.7119 176.5200 29 V 5.1149 8.4519 122.1690 61.3976 34.8893 174.7374 30 I 4.7211 8.8662 118.9256 59.6978 41.2306 174.9552 31 R 5.7011 8.6027 122.2310 55.3946 32.6789 173.9278 32 A 3.2927 8.4398 120.9959 53.6155 17.2416 176.8160 *39 R 4.1329 7.9739 118.1166 55.4318 31.5595 176.9614 40 K 4.0105 8.3394 117.2753 60.2490 32.7104 179.2001 41 D 4.3373 7.9723 118.3116 57.3327 41.0887 176.9684 42 H 4.4616 7.8835 113.8762 56.8890 28.9623 175.0352 43 V 3.8766 7.0123 114.0872 58.5660 32.7054 174.3277 44 P 4.4467 0.0000 0.0000 62.1535 32.0453 176.2101 45 D 4.5382 8.7580 121.6481 56.7893 42.0849 176.4147 46 I 5.0999 8.0842 118.6389 59.3489 40.9921 174.8762 47 I 4.9461 8.7271 126.7318 59.4612 40.1712 174.3236 48 A 5.2915 9.1812 129.0207 50.0566 22.1612 174.6530 49 L 5.3289 9.0827 121.7750 53.0067 45.9346 175.9166 50 K 4.2226 9.0453 121.7992 56.2340 36.1415 175.6318 51 S 3.7301 9.8304 124.0895 59.6164 60.5196 173.2903 52 G 3.8670 8.4398 105.3827 45.4057 0.0000 173.8177 53 V 4.2854 7.8482 120.2045 60.8705 33.3463 174.2162 54 I 4.9627 8.2612 127.1775 59.4959 39.6543 174.3388 55 I 5.2053 8.8339 120.5109 59.1462 40.3915 174.3160 56 L 5.2709 9.1865 126.7021 53.0578 44.8237 175.6552 57 I 5.0828 8.7284 122.8587 59.8081 41.7337 173.6296 58 E 4.8396 9.1870 128.8307 54.8848 31.1132 174.6838 59 V 4.4266 9.4939 128.3731 61.8174 33.0822 175.2503 60 K 4.5751 9.1212 126.8457 54.8282 35.4459 174.9666 61 S 4.9244 8.7467 120.2899 56.6754 63.4741 173.1159 62 R 4.2122 8.7443 128.9910 55.1329 35.2250 175.7526 *67 K 4.0595 8.6790 128.0592 57.3390 33.2725 175.5661 68 I 4.2388 8.2316 128.5263 61.1939 38.3992 174.4804 69 Y 5.1741 8.5786 126.8882 55.9004 42.3050 174.1418 70 I 4.7136 8.7209 125.6689 59.0439 41.9786 173.9689 71 E 4.1563 9.2365 128.4720 57.1740 30.1971 177.6324 72 K 4.1454 9.0708 125.3979 60.2285 32.4305 178.5356 73 E 4.0185 8.2408 118.0414 59.1720 29.3442 179.0847 74 Q 3.9502 8.1375 119.3175 58.8190 29.2563 177.7431 75 A 4.1166 8.0786 121.8454 55.4637 18.5400 179.5848 76 E 4.0255 8.4712 117.2491 59.1411 28.9225 179.9904 77 G 3.2858 7.8576 106.2737 47.7333 0.0000 175.8388 78 I 4.5879 7.8539 117.3460 62.3881 37.6970 178.4536 79 R 3.8323 7.8894 120.6391 59.1514 29.9130 178.4009 80 E 4.0532 8.3415 119.2126 59.0490 29.5534 178.7248 81 F 3.9770 8.0035 119.5695 61.0213 39.4271 176.9533 82 A 4.0795 8.2035 120.4483 55.1734 18.0095 179.4886 83 K 3.8405 8.3356 116.9790 59.6639 32.3267 178.8762 84 R 4.0057 8.2077 117.7734 59.3257 30.1012 179.0307 85 S 4.1297 8.0229 113.1214 59.3225 62.9093 175.4841 86 G 3.8042 8.0234 109.1862 45.5646 0.0000 173.3524 87 G 4.0539 7.7969 106.9259 45.0944 0.0000 173.6249 88 E 4.6411 9.2480 120.3016 54.9642 30.9294 175.4832 89 L 4.9265 8.3976 127.5856 54.1569 43.8246 175.3200 90 F 5.4029 9.4208 123.9145 55.7033 44.0124 173.3299 91 L 5.1259 9.4141 123.3128 53.6865 44.0015 175.4098 92 G 4.3748 9.5243 115.3779 45.0566 0.0000 172.1138 93 V 5.2624 8.2082 127.0959 59.7795 34.3173 174.4222 94 K 4.6815 8.5446 129.3392 54.9386 33.0835 175.7423 95 L 4.7590 8.9721 128.6703 52.8270 42.9629 176.5620 96 P 4.2474 0.0000 0.0000 65.5782 31.1152 177.9486 97 K 4.6344 7.6451 113.7420 55.5065 33.4526 175.2193 98 M 4.5394 7.6157 115.2134 54.3404 33.9804 172.7693 99 L 5.0742 8.3391 121.3329 53.4304 44.4219 175.5097 100 R 4.7663 8.6961 124.1884 54.3451 35.1794 174.2497 101 F 5.4870 9.1275 119.0224 55.8855 42.7334 174.1664 102 I 4.9429 8.5730 116.8605 58.3640 40.9673 175.2007 103 K 3.4686 8.6411 125.3151 56.4212 32.7663 177.4540 104 F 4.0962 8.7875 127.5826 61.1787 39.5251 176.9709 105 D 4.3939 8.0459 119.3336 57.3163 40.6362 177.3493 106 M 4.1838 7.6154 117.2751 56.8102 32.1253 176.5897 107 L 4.1755 7.5048 120.1295 54.7634 42.3796 176.7255 108 R 4.6862 8.8847 123.0589 54.3322 32.5015 175.7540 109 Q 4.1514 8.7089 124.4548 56.3278 30.0834 175.4012 110 T 4.4295 8.3698 115.8429 60.0676 71.1026 175.6292 111 E 3.9247 8.7911 121.1324 59.2226 29.5632 178.8016 112 G 3.6410 7.9440 105.7571 46.5780 0.0000 174.2914 113 G 3.8122 8.1098 108.4156 45.1668 0.0000 173.6495 114 N 4.5128 7.9160 118.1533 52.0746 40.9562 172.6951 115 Y 4.9589 7.5969 114.6596 56.9334 41.8769 174.9677 116 A 4.9631 8.8305 124.1593 51.2707 23.9805 174.3421 117 I 4.7431 8.5706 117.6441 60.1288 41.8140 173.8765 118 D 4.9697 8.6577 128.1100 52.1990 40.8508 177.3756 119 L 4.1466 8.3190 120.8458 58.4680 39.9558 179.2787 120 E 4.7199 8.0076 121.0260 59.4211 29.2806 179.0087 121 T 3.8707 7.6223 114.1130 66.6382 68.7181 176.5024 122 V 3.7125 7.3648 118.6618 66.0403 31.5418 177.7055 123 E 3.9359 8.4517 118.6783 59.3479 29.1627 178.6649 124 K 4.3710 7.6291 116.0319 57.1823 32.7183 176.7471 125 G 4.0668 8.0043 106.3965 47.0210 0.0000 172.8641 126 M 4.6297 8.8617 117.1464 54.7614 33.1024 176.2412 127 E 4.5523 9.1152 120.5200 55.6786 31.2455 177.4409 128 L 4.0962 9.0403 122.5752 58.9823 41.7915 179.0153 129 E 4.0069 8.2134 118.1920 59.2217 29.5349 178.3101 130 D 4.4203 8.2560 119.2947 56.8819 40.8532 178.3359 131 L 3.8942 7.8896 120.5813 58.0352 42.0178 178.9338 132 V 3.6858 7.5270 117.6401 66.3525 31.5216 178.2887 133 R 4.2549 7.7773 119.0472 58.7951 29.9433 178.4467 134 Y 4.0993 8.2592 119.7625 60.6204 38.7244 178.3018 135 V 3.4483 8.0169 119.2894 65.9495 31.4660 177.7725 136 E 3.9058 8.4568 118.8545 59.4033 29.2688 179.5487 137 S 4.0768 8.0461 114.2607 61.4508 62.8238 176.7837 138 K 3.8865 7.3062 120.6577 58.9429 31.9562 179.1980 139 I 4.0261 7.6817 121.7303 63.7198 36.9806 178.2366 140 S 4.0871 8.1853 116.3184 62.0531 62.7916 177.2007 141 R 3.9446 7.9890 120.0668 59.5061 29.5829 179.2191 142 T 3.9496 7.9204 115.5493 66.1306 68.1606 175.6799 143 L 4.3910 7.9731 118.9999 55.4547 41.8329 176.8948 144 D 5.0032 7.4022 119.4060 53.4312 41.6198 176.4197 145 S 4.2707 7.9187 119.3055 59.1673 62.3196 175.2994 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 12 S 8.18 4.46 0.00 3.88 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 13 S 7.96 4.00 0.00 4.18 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 14 V 8.68 3.62 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 1.18 0.00 0.00 0.94 0.00 0.00 15 E 8.22 3.97 0.00 2.25 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 2.44 2.44 0.00 16 R 8.07 3.90 0.00 2.11 2.05 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 17 Y 8.80 4.19 0.00 3.04 3.23 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 18 I 8.31 3.46 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.80 0.00 0.00 19 V 8.42 3.48 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 1.02 0.00 0.00 0.93 0.00 0.00 20 S 8.46 4.08 0.00 3.94 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 21 R 7.98 3.75 0.00 1.63 1.72 0.00 3.05 0.00 0.00 2.79 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.90 0.00 22 L 8.02 3.63 0.00 1.38 0.99 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.97 4.17 0.00 2.12 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 1.67 1.78 0.00 24 D 8.32 4.57 0.00 2.73 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 25 K 7.48 4.60 0.00 1.99 2.03 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.32 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 26 G 8.02 3.89 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 0.00 0.00 0.00 27 F 8.37 4.67 0.00 2.88 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 28 A 9.16 4.51 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 29 V 8.45 5.11 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 0.92 0.00 0.00 0.98 0.00 0.00 30 I 8.87 4.72 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.93 0.00 0.00 31 R 8.60 5.70 0.00 1.79 1.91 0.00 3.41 0.00 0.00 3.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 32 A 8.44 3.29 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 *39 R 7.97 4.13 0.00 1.53 1.88 0.00 3.04 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 40 K 8.34 4.01 0.00 1.91 2.05 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 41 D 7.97 4.34 0.00 2.75 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 42 H 7.88 4.46 0.00 3.37 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.01 3.88 1.73 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 0.64 0.00 0.00 0.89 0.00 0.00 44 P 0.00 4.45 0.00 1.81 1.84 0.00 2.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 45 D 8.76 4.54 0.00 2.73 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 46 I 8.08 5.10 1.85 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 1.21 0.85 0.86 0.00 0.00 47 I 8.73 4.95 1.91 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 1.19 0.85 1.00 0.00 0.00 48 A 9.18 5.29 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 49 L 9.08 5.33 0.00 1.52 1.52 0.94 0.66 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 50 K 9.05 4.22 0.00 0.79 0.87 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.97 1.00 7.81 51 S 9.83 3.73 0.00 3.89 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 52 G 8.44 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 53 V 7.85 4.29 2.17 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 1.00 0.00 0.00 0.87 0.00 0.00 54 I 8.26 4.96 1.93 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 1.43 0.58 0.99 0.00 0.00 55 I 8.83 5.21 1.87 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 1.56 0.91 1.08 0.00 0.00 56 L 9.19 5.27 0.00 1.64 1.59 1.12 0.82 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 57 I 8.73 5.08 1.88 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 1.06 1.01 1.10 0.00 0.00 58 E 9.19 4.84 0.00 2.01 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 2.35 2.38 0.00 59 V 9.49 4.43 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 0.91 0.00 0.00 0.99 0.00 0.00 60 K 9.12 4.58 0.00 1.78 1.70 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 61 S 8.75 4.92 0.00 3.89 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 62 R 8.74 4.21 0.00 1.65 1.59 0.00 3.42 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 *67 K 8.68 4.06 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.70 7.81 68 I 8.23 4.24 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 1.14 0.50 0.95 0.00 0.00 69 Y 8.58 5.17 0.00 2.87 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 70 I 8.72 4.71 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.94 0.00 0.00 71 E 9.24 4.16 0.00 2.00 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 2.52 2.36 0.00 72 K 9.07 4.15 0.00 1.96 1.87 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.73 7.81 73 E 8.24 4.02 0.00 2.11 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 0.00 2.44 2.41 0.00 74 Q 8.14 3.95 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 75 A 8.08 4.12 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 76 E 8.47 4.03 0.00 2.02 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 2.35 2.67 0.00 77 G 7.86 3.29 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 0.00 78 I 7.85 4.59 1.60 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.39 0.86 0.00 0.00 79 R 7.89 3.83 0.00 2.11 1.98 0.00 3.27 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 80 E 8.34 4.05 0.00 2.18 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 0.00 2.32 2.37 0.00 81 F 8.00 3.98 0.00 3.17 3.13 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 82 A 8.20 4.08 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 83 K 8.34 3.84 0.00 1.75 1.96 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 84 R 8.21 4.01 0.00 1.68 1.81 0.00 3.33 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 85 S 8.02 4.13 0.00 3.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 0.00 0.00 0.00 87 G 7.80 4.05 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 0.00 0.00 0.00 88 E 9.25 4.64 0.00 2.36 2.31 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 2.43 2.68 0.00 89 L 8.40 4.93 0.00 1.72 1.46 0.74 0.23 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 90 F 9.42 5.40 0.00 3.02 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 91 L 9.41 5.13 0.00 2.00 1.65 1.33 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.52 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 0.00 0.00 0.00 0.00 93 V 8.21 5.26 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 1.15 0.00 0.00 0.93 0.00 0.00 94 K 8.54 4.68 0.00 1.90 1.68 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.48 7.81 95 L 8.97 4.76 0.00 1.74 1.55 0.89 0.91 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 96 P 0.00 4.25 0.00 2.01 2.13 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 97 K 7.65 4.63 0.00 1.65 1.73 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 98 M 7.62 4.54 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 99 L 8.34 5.07 0.00 1.62 1.57 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.70 4.77 0.00 1.54 1.70 0.00 3.24 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.79 0.00 101 F 9.13 5.49 0.00 3.00 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 0.00 102 I 8.57 4.94 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.93 0.00 0.00 103 K 8.64 3.47 0.00 1.64 1.56 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.13 7.81 104 F 8.79 4.10 0.00 3.08 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 0.00 105 D 8.05 4.39 0.00 2.63 2.69 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 0.00 106 M 7.62 4.18 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 107 L 7.50 4.18 0.00 1.25 1.48 -0.30 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.88 4.69 0.00 1.75 1.80 0.00 3.23 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 109 Q 8.71 4.15 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.01 1.70 0.00 110 T 8.37 4.43 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 1.13 0.00 0.00 111 E 8.79 3.92 0.00 1.97 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 2.29 0.00 112 G 7.94 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.11 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 0.00 114 N 7.92 4.51 0.00 2.42 2.13 0.00 0.00 6.72 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 0.00 115 Y 7.60 4.96 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 116 A 8.83 4.96 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 0.00 117 I 8.57 4.74 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.93 0.00 0.00 118 D 8.66 4.97 0.00 3.11 2.77 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 0.00 119 L 8.32 4.15 0.00 1.92 1.97 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.01 4.72 0.00 2.22 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 2.40 2.32 0.00 121 T 7.62 3.87 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 1.20 0.00 0.00 122 V 7.36 3.71 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 0.95 0.00 0.00 123 E 8.45 3.94 0.00 2.22 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 2.31 2.60 0.00 124 K 7.63 4.37 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 125 G 8.00 4.07 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 0.00 0.00 0.00 126 M 8.86 4.63 0.00 2.17 2.30 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 2.88 2.64 0.00 127 E 9.12 4.55 0.00 2.09 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 2.34 2.44 0.00 128 L 9.04 4.10 0.00 1.97 1.76 0.70 0.59 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 0.00 129 E 8.21 4.01 0.00 2.15 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 2.39 2.48 0.00 130 D 8.26 4.42 0.00 3.02 2.77 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 0.00 131 L 7.89 3.89 0.00 1.53 1.64 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.53 3.69 2.26 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 1.18 0.00 0.00 0.89 0.00 0.00 133 R 7.78 4.25 0.00 2.07 2.01 0.00 3.23 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 134 Y 8.26 4.10 0.00 3.21 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 0.00 135 V 8.02 3.45 2.40 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 1.03 0.00 0.00 1.19 0.00 0.00 136 E 8.46 3.91 0.00 2.18 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 2.31 2.57 0.00 137 S 8.05 4.08 0.00 4.00 4.07 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 0.00 138 K 7.31 3.89 0.00 1.80 1.81 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.96 1.26 7.81 139 I 7.68 4.03 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.84 0.84 0.00 0.00 140 S 8.19 4.09 0.00 3.98 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 0.00 141 R 7.99 3.94 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 142 T 7.92 3.95 4.36 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 1.18 0.00 0.00 143 L 7.97 4.39 0.00 1.66 1.69 0.90 0.85 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 0.00 144 D 7.40 5.00 0.00 2.65 2.63 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 0.00 145 S 7.92 4.27 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.