NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3963 8.0433 122.6803 54.7886 43.1693 175.1653 4 I 4.3914 8.4179 126.1533 58.5438 38.3684 170.0133 5 V 4.3684 9.8014 128.9455 61.1121 34.5959 173.5622 6 N 5.1140 8.8980 125.7788 52.1164 40.2677 174.1507 7 V 4.6443 8.4120 124.9931 61.5207 33.4135 174.4671 8 I 4.8460 8.9592 129.9492 59.6840 39.8387 174.3128 9 N 5.3332 9.4870 125.5663 51.7550 40.7694 175.3864 10 G 4.3580 8.9833 114.8955 43.8857 0.0000 170.6868 11 P 4.4557 0.0000 0.0000 64.4672 31.9833 176.5762 12 N 4.5827 9.2269 118.5431 53.5767 37.6272 176.1168 13 L 4.2333 7.6354 118.1563 56.6905 41.9742 178.5640 14 G 3.8590 8.0527 105.6502 46.5292 0.0000 174.0553 15 R 4.5069 7.4726 117.4440 55.5205 30.7341 176.4422 16 L 3.9860 7.3991 118.7974 55.7125 41.8417 175.7197 17 G 4.2513 8.3697 113.4522 44.7669 0.0000 174.7545 18 R 4.2782 7.9815 122.1730 54.4065 30.2316 176.1846 *25 G 3.7890 7.5317 107.3842 45.1257 0.0000 173.4335 26 G 3.5657 8.5236 108.4879 48.0638 0.0000 174.7995 27 T 4.1299 7.7872 117.4090 63.7212 68.9079 174.9159 28 T 4.9869 8.6974 118.9847 60.3872 71.5095 175.4614 29 H 4.0144 8.5854 120.2839 59.3746 29.9731 176.8113 30 D 4.3600 8.1071 120.2626 57.5928 40.6856 178.5810 31 E 3.9644 7.9364 119.0966 59.1024 29.3731 179.1977 32 L 3.7844 7.9536 120.6401 57.9487 42.1426 179.0063 33 V 3.3849 7.9427 118.3842 66.0502 31.4300 177.8560 34 A 3.9566 7.7922 120.0093 55.1286 18.3335 179.5552 35 L 3.9262 8.0094 117.5399 57.9368 41.5833 179.9347 36 I 3.6894 7.8142 119.6789 64.4387 37.0711 178.2561 37 E 3.9176 8.0855 119.4290 59.3860 29.1574 179.4893 38 R 3.8336 8.0565 118.6083 59.5270 30.0782 178.2879 39 E 3.9701 8.1650 118.5497 58.8859 29.5844 178.5647 40 A 3.9769 8.3774 121.2231 55.1466 18.4943 179.4832 41 A 4.0963 7.9878 119.3338 55.2950 18.2162 179.4911 42 E 3.9540 7.8984 116.6919 58.7518 29.7743 178.0406 43 L 4.4689 7.4727 116.7492 54.0672 42.0501 177.1453 44 G 3.8352 7.9139 107.1487 45.7926 0.0000 173.0004 45 L 4.8315 8.2057 118.7110 52.3411 45.3169 175.6013 46 K 4.6050 8.9074 120.6065 54.6832 34.9201 174.3221 47 A 5.1093 8.6656 128.9094 50.3165 21.2074 176.0420 48 V 4.0121 8.5342 123.3732 61.3443 32.9077 174.4099 49 V 4.6227 8.0776 128.4433 61.5296 32.7002 175.2257 50 R 4.5227 8.8743 126.5351 54.3101 34.2823 173.9027 51 Q 5.3025 8.6989 123.2778 54.5990 31.5415 174.3211 52 S 4.8123 9.1843 119.0822 57.3359 66.0750 174.1821 53 D 4.6102 8.9096 124.3218 54.9839 41.5954 176.7280 54 S 4.5065 7.9084 115.6345 56.6462 63.6775 173.7149 55 E 3.8668 8.7762 129.6821 59.5028 29.4869 178.4723 56 A 3.9225 7.9004 120.1406 55.2445 18.3166 179.2618 57 Q 3.4559 7.5546 117.1878 59.0052 28.9445 178.3475 58 L 4.0954 7.5126 119.5325 57.7652 41.6824 179.3526 59 L 3.8352 7.8888 118.8934 57.7737 41.5641 179.1444 60 D 4.3090 7.8433 117.6959 57.2693 41.2784 178.2794 61 W 4.5590 8.2064 119.7067 60.0329 28.9989 178.6250 62 I 3.8420 8.2333 120.0104 64.6301 36.5319 178.1885 63 H 4.3208 8.1859 117.1347 59.0360 28.5481 177.8896 64 Q 4.0585 8.4199 119.6642 58.9798 28.4804 178.7236 65 A 4.0859 8.1084 121.0874 54.7739 17.9306 179.6390 66 A 3.9553 8.1142 119.7030 55.4830 18.2609 179.6232 67 D 4.3338 7.9702 116.1176 57.1196 41.0368 178.0159 68 A 4.2806 8.0334 117.8528 51.0224 19.5126 176.6026 69 A 3.7245 7.3780 118.8645 53.2561 16.7821 177.0425 70 E 4.8639 8.1382 119.2787 54.5353 31.9240 175.9853 71 P 4.6703 0.0000 0.0000 63.0374 33.2270 175.0939 72 V 4.9091 8.6672 120.6068 61.3351 34.9453 174.1230 73 I 4.7759 9.1879 129.2842 59.8731 38.8822 174.3289 74 L 5.0742 9.1192 130.4065 53.2225 44.8018 174.5738 75 N 5.1936 9.4586 125.8085 51.2325 39.9190 174.5905 76 A 4.3918 8.7242 128.9430 51.5641 20.5005 178.1294 77 G 4.0122 8.1185 105.6028 46.3833 0.0000 177.9607 78 G 3.7630 8.7005 111.2341 48.0824 0.0000 175.0919 79 L 4.2495 7.6627 119.1250 57.0919 42.2331 179.2706 80 T 3.8683 7.7777 116.1564 66.9587 68.3518 175.3201 81 H 4.8752 7.8175 114.6494 56.4083 29.4413 175.9373 82 T 4.5355 7.8279 108.1031 61.2873 70.3624 173.1573 83 S 4.5620 8.2355 117.6881 56.6511 62.5196 174.5342 84 V 3.3115 7.9188 128.3560 65.4688 31.4092 177.4452 85 A 3.9449 7.8227 120.2460 55.1038 18.2330 179.2129 86 L 3.8773 8.0950 118.8993 58.1674 42.0395 179.0102 87 R 3.9170 7.6279 117.8784 59.7205 29.7833 178.2323 88 D 4.3587 8.3016 117.5691 57.2642 40.9834 178.3286 89 A 4.1989 7.9855 121.1495 55.4425 18.3817 179.5070 90 C 4.2272 8.2883 114.6441 62.3880 27.9226 175.9604 91 A 4.1425 7.5252 121.7567 54.5876 17.9966 178.9838 92 E 4.1629 7.8660 116.0093 57.4893 29.7492 177.4252 93 L 4.1526 7.2252 120.0054 54.7823 42.0689 177.1186 94 S 4.3316 8.7091 118.1816 60.2989 63.9518 174.6062 95 A 4.4169 7.6709 120.9609 50.3893 19.4938 175.7220 96 P 4.4552 0.0000 0.0000 62.7165 33.0291 175.3065 97 L 5.1856 8.6973 124.3346 53.3967 45.1505 175.0008 98 I 4.7716 8.9434 127.5744 59.4087 39.2110 174.4339 99 E 4.6340 8.9142 129.4804 55.7108 30.8205 175.3971 100 V 4.6832 8.6494 126.2775 61.3228 35.1059 173.7029 101 H 4.8789 8.9829 124.3184 54.1259 31.8199 174.3867 102 I 3.9600 8.7409 124.6304 64.3759 37.8717 176.9375 103 S 4.6025 7.9169 114.1786 56.8872 64.5983 173.5819 104 N 4.5225 8.4650 121.9341 53.0671 37.4511 176.3394 105 V 3.6289 8.1511 123.5912 63.4307 31.8186 174.7897 106 H 4.4614 8.1528 113.1469 57.2676 28.8971 175.7246 107 A 4.5578 7.8519 121.2732 51.9301 19.7611 177.7652 108 R 4.7109 7.1876 115.9662 55.5802 31.6289 175.6792 109 E 3.9490 8.1769 121.8451 56.9625 30.3265 177.5201 110 E 3.8826 8.5933 122.7317 59.1208 29.8888 178.8821 111 F 4.4267 7.6877 112.1976 58.8749 38.1093 175.9894 112 R 3.7463 6.9720 119.0097 57.0747 30.1085 177.1844 113 R 4.0682 7.5638 116.1895 56.6289 30.5181 175.5809 114 H 4.8867 7.8854 117.8785 54.0975 31.8449 173.2337 115 S 4.6721 7.7930 119.3505 56.6807 65.0588 173.5255 116 Y 4.2559 8.5728 124.9959 60.2026 38.3966 177.4370 117 L 4.3109 7.8976 119.6049 56.9465 41.5591 178.8680 118 S 4.2795 7.7444 116.2306 60.6932 62.6363 175.1346 119 P 4.4528 0.0000 0.0000 64.6492 31.1521 177.1167 120 I 4.1729 7.0555 109.2999 60.8619 38.6525 176.0219 121 A 4.2714 7.5320 123.7683 52.1381 19.0118 177.7374 122 T 4.0506 8.7439 117.8954 66.4001 68.8641 174.9884 123 G 4.1146 7.6298 105.8979 44.9560 0.0000 171.2284 124 V 4.9071 8.0631 118.8586 60.9725 34.4981 174.3617 125 I 4.5118 8.9016 128.7222 59.5007 39.6123 174.7951 126 V 4.6574 8.0870 126.0610 62.1498 34.3170 175.6618 127 G 3.9337 8.9475 115.0808 45.9609 0.0000 173.5540 128 L 4.4554 7.8090 117.9093 53.8872 42.4976 178.7419 129 G 3.8176 7.9898 108.2898 46.2239 0.0000 175.5922 130 I 3.9587 8.2838 117.4638 63.9850 38.0515 178.3556 131 Q 4.1687 8.2419 119.9848 58.4466 29.0200 177.7614 132 G 3.6606 7.9459 106.8757 48.1400 0.0000 175.3003 133 Y 4.0360 7.8249 118.7968 61.0769 37.9354 178.5172 134 L 4.1207 8.0136 119.4401 57.7289 41.8961 179.4076 135 L 4.0677 8.2836 118.9821 57.6240 41.5905 179.3677 136 A 4.0742 8.0248 120.6069 54.9724 18.2072 179.7041 137 L 4.0045 8.0905 117.7023 58.0141 41.4942 179.6969 138 R 3.9005 7.8871 117.6345 59.3905 30.3777 177.6152 139 Y 4.2229 8.0509 119.2043 60.8538 38.9577 178.2111 140 L 4.0208 8.0909 119.0593 57.5323 41.4481 179.3115 141 A 4.0527 8.1229 120.2980 54.2747 18.3305 178.1677 142 E 4.2856 7.4786 114.9497 56.5115 29.8831 175.6165 143 H 4.3028 7.7249 120.1550 56.6439 29.9430 172.9738 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 L 8.04 4.40 0.00 1.36 1.65 0.92 0.51 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 4 I 8.42 4.39 1.97 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 1.22 0.60 0.97 0.00 0.00 5 V 9.80 4.37 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 1.00 0.00 0.00 0.94 0.00 0.00 6 N 8.90 5.11 0.00 2.79 2.66 0.00 0.00 6.14 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 7 V 8.41 4.64 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 1.11 0.00 0.00 0.98 0.00 0.00 8 I 8.96 4.85 1.94 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 1.12 0.47 1.15 0.00 0.00 9 N 9.49 5.33 0.00 2.68 2.81 0.00 0.00 6.42 7.58 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 10 G 8.98 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 0.00 0.00 0.00 0.00 11 P 0.00 4.46 0.00 2.08 2.04 0.00 4.00 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 2.06 2.30 0.00 12 N 9.23 4.58 0.00 3.01 3.04 0.00 0.00 6.78 6.76 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 13 L 7.64 4.23 0.00 1.94 1.80 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.05 3.86 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 0.00 0.00 0.00 15 R 7.47 4.51 0.00 2.02 1.96 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 16 L 7.40 3.99 0.00 1.80 1.87 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.37 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 0.00 0.00 0.00 18 R 7.98 4.28 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 *25 G 7.53 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 0.00 0.00 0.00 26 G 8.52 3.57 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 0.00 0.00 0.00 27 T 7.79 4.13 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 1.19 0.00 0.00 28 T 8.70 4.99 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 29 H 8.59 4.01 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.11 4.36 0.00 2.72 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 31 E 7.94 3.96 0.00 2.10 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 2.31 2.30 0.00 32 L 7.95 3.78 0.00 1.67 1.62 0.49 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.94 3.38 2.15 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 0.88 0.00 0.00 0.87 0.00 0.00 34 A 7.79 3.96 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 35 L 8.01 3.93 0.00 1.82 1.69 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.81 3.69 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.88 0.00 0.00 37 E 8.09 3.92 0.00 2.13 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 2.42 2.38 0.00 38 R 8.06 3.83 0.00 1.98 2.06 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 E 8.17 3.97 0.00 2.25 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 2.33 2.38 0.00 40 A 8.38 3.98 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 41 A 7.99 4.10 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 42 E 7.90 3.95 0.00 2.34 2.12 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 2.32 2.22 0.00 43 L 7.47 4.47 0.00 1.75 1.68 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.91 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 0.00 0.00 0.00 45 L 8.21 4.83 0.00 1.57 1.58 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.91 4.60 0.00 1.77 1.60 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.67 5.11 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.53 4.01 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 0.76 0.00 0.00 0.88 0.00 0.00 49 V 8.08 4.62 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 0.70 0.00 0.00 0.83 0.00 0.00 50 R 8.87 4.52 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.70 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.00 51 Q 8.70 5.30 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 52 S 9.18 4.81 0.00 3.92 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 53 D 8.91 4.61 0.00 2.70 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 54 S 7.91 4.51 0.00 3.82 3.58 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 55 E 8.78 3.87 0.00 2.04 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 0.00 2.34 2.36 0.00 56 A 7.90 3.92 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 57 Q 7.55 3.46 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 58 L 7.51 4.10 0.00 1.88 1.77 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.89 3.84 0.00 1.82 1.61 0.89 0.79 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 60 D 7.84 4.31 0.00 2.68 2.67 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 61 W 8.21 4.56 0.00 3.59 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 62 I 8.23 3.84 1.96 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 1.84 0.85 0.95 0.00 0.00 63 H 8.19 4.32 0.00 3.40 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.42 4.06 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 65 A 8.11 4.09 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 66 A 8.11 3.96 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 67 D 7.97 4.33 0.00 2.87 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 68 A 8.03 4.28 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 69 A 7.38 3.72 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 70 E 8.14 4.86 0.00 1.85 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 2.26 2.43 0.00 71 P 0.00 4.67 0.00 2.15 2.21 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 72 V 8.67 4.91 2.11 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 0.83 0.00 0.00 0.96 0.00 0.00 73 I 9.19 4.78 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.95 0.00 0.00 74 L 9.12 5.07 0.00 1.70 1.49 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.46 5.19 0.00 2.74 3.04 0.00 0.00 6.92 7.90 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 76 A 8.72 4.39 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 77 G 8.12 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 0.00 0.00 0.00 78 G 8.70 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 79 L 7.66 4.25 0.00 1.89 1.75 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.78 3.87 3.97 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 0.00 0.00 1.25 0.00 0.00 81 H 7.82 4.88 0.00 3.30 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.83 4.54 4.28 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 1.34 0.00 0.00 83 S 8.24 4.56 0.00 3.84 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 84 V 7.92 3.31 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 0.94 0.00 0.00 0.28 0.00 0.00 85 A 7.82 3.94 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 86 L 8.10 3.88 0.00 1.75 1.66 0.93 0.95 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 87 R 7.63 3.92 0.00 2.00 2.10 0.00 3.43 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 88 D 8.30 4.36 0.00 2.81 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 89 A 7.99 4.20 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 90 C 8.29 4.23 0.00 3.18 3.02 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 91 A 7.53 4.14 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 92 E 7.87 4.16 0.00 2.16 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 2.37 0.00 93 L 7.23 4.15 0.00 1.69 1.78 0.97 1.32 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 94 S 8.71 4.33 0.00 3.99 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 95 A 7.67 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.46 0.00 2.20 2.12 0.00 3.58 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 2.18 2.15 0.00 97 L 8.70 5.19 0.00 1.76 1.49 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.94 4.77 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.81 0.00 0.00 99 E 8.91 4.63 0.00 2.01 1.76 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 2.18 2.19 0.00 100 V 8.65 4.68 1.62 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 0.21 0.00 0.00 0.65 0.00 0.00 101 H 8.98 4.88 0.00 3.02 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.74 3.96 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.64 0.97 0.00 0.00 103 S 7.92 4.60 0.00 3.97 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 0.00 104 N 8.46 4.52 0.00 2.74 2.76 0.00 0.00 6.98 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 0.00 105 V 8.15 3.63 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 0.81 0.00 0.00 0.93 0.00 0.00 106 H 8.15 4.46 0.00 3.28 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.85 4.56 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 0.00 108 R 7.19 4.71 0.00 1.61 1.59 0.00 3.18 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 109 E 8.18 3.95 0.00 1.16 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 2.37 2.22 0.00 110 E 8.59 3.88 0.00 2.00 1.95 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 2.38 2.36 0.00 111 F 7.69 4.43 0.00 3.09 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 0.00 112 R 6.97 3.75 0.00 1.75 1.76 0.00 2.91 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.00 113 R 7.56 4.07 0.00 1.92 1.97 0.00 3.21 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 114 H 7.89 4.89 0.00 3.00 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.79 4.67 0.00 3.77 3.59 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 0.00 116 Y 8.57 4.26 0.00 3.18 2.97 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 0.00 0.00 0.00 117 L 7.90 4.31 0.00 1.70 1.72 0.93 0.82 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 0.00 118 S 7.74 4.28 0.00 3.84 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 0.00 119 P 0.00 4.45 0.00 2.04 2.13 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 120 I 7.06 4.17 1.89 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 1.27 0.87 0.94 0.00 0.00 121 A 7.53 4.27 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 0.00 122 T 8.74 4.05 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 1.22 0.00 0.00 123 G 7.63 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 0.00 124 V 8.06 4.91 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 0.96 0.00 0.00 0.97 0.00 0.00 125 I 8.90 4.51 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.85 0.00 0.00 126 V 8.09 4.66 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 0.85 0.00 0.00 0.96 0.00 0.00 127 G 8.95 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 0.00 0.00 0.00 128 L 7.81 4.46 0.00 1.63 1.68 0.91 0.92 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 0.00 129 G 7.99 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 0.00 130 I 8.28 3.96 1.92 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 1.52 1.24 0.94 0.00 0.00 131 Q 8.24 4.17 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.95 3.66 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 0.00 0.00 0.00 133 Y 7.82 4.04 0.00 3.15 2.99 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 0.00 0.00 0.00 134 L 8.01 4.12 0.00 1.82 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.28 4.07 0.00 1.69 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.02 4.07 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 0.00 137 L 8.09 4.00 0.00 2.00 1.76 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.89 3.90 0.00 1.98 2.15 0.00 3.30 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 8.05 4.22 0.00 3.19 3.12 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 0.00 140 L 8.09 4.02 0.00 1.97 1.74 0.99 1.21 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 0.00 141 A 8.12 4.05 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 0.00 142 E 7.48 4.29 0.00 2.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 143 H 7.72 4.30 0.00 2.84 2.98 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.