NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.8381 8.1449 118.9036 57.1008 39.1565 174.4305 9 S 4.4078 9.0732 116.4379 58.2155 64.7548 172.2521 10 Y 5.0507 8.7830 117.7632 56.3342 43.3156 173.7453 11 I 4.9568 8.7237 120.8526 59.8552 40.3806 174.8431 12 F 5.2427 9.1730 126.8800 55.8664 41.2533 175.1253 13 K 4.8433 8.8046 123.4794 55.8388 33.7177 175.2101 14 Y 5.5085 9.8083 123.4342 56.2809 41.0398 175.0427 15 I 5.0111 8.4052 116.8075 59.7453 40.4722 174.4511 16 I 5.1102 8.5981 124.1858 59.6065 40.3278 174.7255 17 I 4.5125 9.2701 119.3150 58.5045 41.4107 174.6162 18 G 3.6892 6.3443 111.3793 43.8151 0.0000 171.9904 19 D 4.8541 7.8347 119.6549 54.0340 41.4636 176.2865 20 M 4.0303 8.4755 120.9795 57.1135 32.2945 177.1409 21 G 3.9661 8.9532 110.7042 46.0019 0.0000 174.7089 22 V 3.7471 7.2245 112.7501 62.3248 31.9707 176.9534 23 G 4.2965 8.2982 109.6703 45.9105 0.0000 176.4439 24 K 3.9131 8.5161 120.1300 59.3028 32.1013 178.8087 25 S 4.2882 8.0938 114.8084 61.9025 62.7304 176.2345 26 C 4.1000 8.0948 120.5801 62.5441 31.3690 175.2994 27 L 4.0982 8.4440 120.9055 57.7915 41.1645 179.2723 28 L 4.0198 8.1620 120.0963 58.6020 42.0555 178.6195 29 H 4.1546 8.5304 119.7380 58.4992 29.7871 176.9232 30 Q 3.9390 8.4972 121.8143 59.1364 28.7226 178.0096 31 F 3.9872 7.9982 120.2805 61.6021 39.5684 176.8989 32 T 3.7496 8.0704 108.9393 63.4018 68.5768 175.7119 33 E 4.5388 8.3169 122.1075 56.8625 31.3830 177.1854 *34 K 4.3136 7.8172 119.5698 54.9195 31.6559 181.1840 *43 T 4.2307 7.6531 115.2075 64.3787 69.4499 174.4981 44 I 3.7889 8.3784 126.5996 62.8286 37.5637 177.4776 45 G 3.9833 8.3917 106.1998 44.8747 0.0000 173.2921 46 V 3.6408 8.2124 121.2028 63.6946 32.1050 175.0367 47 E 4.7323 8.9812 126.0527 57.1220 32.0222 175.0315 48 F 5.4508 8.1042 118.9299 56.9150 42.9840 173.6305 49 G 4.1045 7.4775 109.6268 45.6793 0.0000 171.9411 50 T 5.5148 7.8807 109.1245 58.9973 72.4072 173.2309 51 R 4.4033 7.9148 121.0465 55.2526 33.8064 173.6133 52 I 4.5799 8.2552 127.5622 60.7233 37.7754 175.2597 53 I 4.4274 8.6241 121.3123 59.1128 40.8867 173.9066 54 E 4.9691 8.6719 126.0023 55.1587 31.4943 176.3364 55 V 4.1915 8.4995 124.3607 60.1094 34.9909 172.0224 56 S 4.0150 9.4072 123.5667 58.8692 59.9152 173.0348 57 G 3.9458 8.2824 102.9223 46.2238 0.0000 173.4082 58 Q 4.5664 7.4887 117.4482 53.4595 32.0152 174.5519 59 K 4.8240 8.5226 121.4999 55.7187 33.8085 175.6698 60 I 4.8974 8.5889 125.8227 59.2016 40.7982 174.4330 61 K 4.2812 8.7282 129.0270 55.4319 33.4379 175.1776 62 L 4.8333 8.7793 128.5740 53.6787 43.4278 175.5328 63 Q 4.8780 8.9051 123.3885 54.4304 31.2366 174.8280 64 I 5.1462 8.3236 124.0747 59.3525 41.2663 174.1335 65 W 5.6488 9.3022 135.0000 55.7547 33.6938 173.7703 66 D 5.1667 9.9879 129.0855 54.0305 40.3311 175.8172 67 T 3.2987 7.6286 116.7303 60.5297 70.7612 173.8721 *75 A 4.2876 8.6272 122.8466 52.5373 21.0415 178.9489 76 V 3.7899 7.6276 112.8679 65.7571 32.0906 178.9067 77 T 4.1277 8.2073 117.7366 67.2549 68.2734 177.2966 *78 R 3.9581 7.9128 122.1706 61.5444 29.3199 180.8046 79 S 4.4438 8.0202 112.9440 61.0003 62.4773 175.3702 80 Y 4.2973 8.4742 122.7173 60.6917 38.6262 176.8489 81 Y 4.0894 8.5321 117.8038 61.5308 37.9136 179.2740 82 R 4.2110 8.4455 117.0686 58.2825 30.1800 178.2993 83 G 4.0325 7.3979 103.1903 43.0782 0.0000 173.4988 84 A 4.0856 7.5005 124.9314 52.1473 18.8611 177.9762 85 A 4.1473 8.9541 125.7821 54.0284 20.0241 177.3042 86 G 4.0214 7.6847 100.5368 44.6667 0.0000 171.9308 87 A 4.9020 8.8798 122.6072 49.8573 22.4653 175.3641 88 L 4.4320 8.6638 123.9220 54.4753 43.0501 175.8850 89 M 4.6927 9.0474 126.0237 54.0448 33.5885 174.6997 90 V 4.9663 8.6155 127.1864 61.2015 34.5697 173.9217 91 Y 4.9230 8.6758 124.7026 55.2401 42.3327 173.4628 92 D 5.2733 8.9823 119.9511 52.4465 42.3583 177.2917 93 I 4.0780 8.7827 121.0990 63.5916 37.7588 177.5016 94 T 4.4900 8.1493 109.1922 61.3273 69.3154 174.9142 95 R 4.4802 8.1154 121.6979 53.6573 32.1984 175.6253 96 R 3.9574 9.3656 125.4168 59.3104 29.7024 178.3564 97 S 4.2459 8.1934 113.9094 61.4924 62.6158 176.4221 98 T 4.8695 8.0103 114.1840 64.0469 68.9653 175.9820 99 Y 3.8712 7.8440 122.0600 60.4841 38.7940 177.0077 100 N 4.1335 8.3772 116.2191 55.7608 38.9951 175.9620 101 H 4.6623 7.5626 115.0392 55.9704 29.0147 176.9505 102 L 4.1839 7.5818 123.1765 57.7787 41.3397 179.4338 103 S 4.3255 7.8379 113.8571 61.3068 63.2130 176.3944 104 S 3.9783 7.8856 116.4169 61.0694 62.1390 176.0406 105 W 4.4330 8.0234 121.2941 59.5404 28.6948 178.3857 106 L 4.1121 8.5245 120.8627 58.1781 41.5219 179.1137 107 T 3.8565 8.0388 115.8052 66.7140 68.4796 176.0747 108 D 4.3698 7.9892 120.0244 57.5641 40.7245 178.7888 109 A 4.1678 8.2575 119.8948 55.3726 18.3051 179.7594 110 R 4.0272 8.3608 116.5630 59.5238 30.1157 178.6732 111 N 4.3159 8.5274 115.6603 56.2561 39.0397 175.8827 112 L 4.5188 8.4193 117.8501 55.6092 42.7434 177.5341 113 T 4.8490 7.9564 109.7475 61.6311 68.8872 173.3269 114 N 5.1494 8.7417 117.7502 49.8564 40.3665 173.6963 115 P 4.3812 0.0000 0.0000 64.7290 31.4120 177.3501 116 N 4.5403 8.0626 114.3687 53.8152 39.0812 175.1794 117 T 3.9199 7.4575 115.0749 64.1681 69.2941 173.9463 118 V 3.7859 8.8278 128.1301 62.5345 32.6315 174.6069 119 I 4.8205 8.2935 128.6951 59.5366 39.6322 174.2159 120 I 4.6841 8.4987 127.3932 58.9871 40.9408 173.7786 121 L 5.0123 9.3087 131.9695 54.3433 43.8141 175.1017 122 I 4.8210 9.3043 126.9226 59.5275 40.5624 174.8350 123 G 3.1460 8.8608 115.5176 44.7396 0.0000 172.6049 124 N 5.0066 8.7071 126.6792 51.3657 42.0860 174.3669 125 K 4.2093 8.7653 115.7020 56.6228 29.3344 178.0801 126 A 4.1402 7.9833 123.3843 54.7224 18.6377 179.7397 127 D 4.4359 8.0930 115.3293 55.8731 40.5400 176.7516 128 L 4.5726 7.6652 123.0306 53.4700 40.9644 177.4849 129 E 3.9389 7.9834 119.7393 59.3487 30.2231 179.7854 130 A 4.0966 7.9618 120.6640 54.1700 18.5247 177.6489 131 Q 4.3751 8.0535 114.0703 55.3923 29.2322 175.6089 132 R 3.9907 7.5707 118.9333 57.1360 30.2795 175.4385 133 D 4.8558 9.2725 122.7885 53.4446 43.1880 175.6233 134 V 4.3456 7.5596 117.6506 61.0075 34.1331 175.0367 135 T 4.2778 8.5837 117.0499 61.1731 69.8926 175.0114 136 Y 4.6694 8.6556 124.6641 60.4517 38.7887 178.3784 137 E 4.0787 8.2847 119.2275 59.4778 29.8549 178.9193 138 E 3.9437 8.2747 117.4859 59.3966 29.5061 179.0236 139 A 3.8818 7.3614 120.2780 54.6931 18.3036 179.5197 140 K 3.4688 7.6093 118.1649 59.3677 32.1821 178.8755 141 Q 3.9131 8.0089 120.0639 58.9664 29.1131 177.8539 142 F 4.0117 8.1555 121.3890 61.1032 39.4152 176.9636 143 A 3.8955 7.9667 120.5266 55.2414 18.0667 179.5635 144 E 4.0756 8.4411 116.4648 59.4231 29.4109 178.8608 145 E 3.8882 8.1090 119.6153 58.1753 29.6840 177.4764 146 N 4.6599 7.3535 113.4409 51.4667 39.4913 174.7360 147 G 3.8918 7.4627 107.8742 46.8704 0.0000 173.8026 148 L 4.9217 7.8896 117.6166 52.4521 44.3789 177.9161 149 L 4.3921 8.1489 121.8151 54.9652 43.1614 175.9826 150 F 5.5372 8.4906 123.0227 57.0351 42.4588 173.5320 151 L 4.4626 8.4503 124.8304 52.8969 46.1903 175.3170 152 E 4.7681 8.3386 121.1668 55.6411 31.6031 175.1000 153 A 4.9082 9.1671 124.0525 50.6500 23.8769 175.1831 154 S 4.7641 9.0775 112.8771 56.3904 64.3146 174.4504 155 A 3.7687 8.9384 131.7596 55.0651 18.5832 178.9413 156 K 4.1174 8.1501 116.3091 59.7690 32.5238 178.0595 157 T 4.0562 7.5127 107.6826 62.8969 69.2368 175.7079 158 G 4.0286 9.1193 112.2381 45.3205 0.0000 173.7237 159 E 4.0716 8.1654 117.1449 57.0794 30.2284 182.4174 160 N 4.4877 8.9734 118.8788 53.3675 36.7510 176.3372 161 V 3.7313 7.7254 119.8908 65.9364 31.5192 177.9926 162 E 4.3664 8.2798 117.8442 59.7711 29.4165 178.6882 163 D 4.3585 8.3294 118.1421 57.4393 40.6151 178.2944 164 A 3.9249 8.1580 121.0797 55.7812 18.1746 179.8604 165 F 4.0731 8.0141 115.4502 60.4090 38.9162 178.1464 166 L 4.2241 8.9509 119.3580 57.5252 41.5559 179.2597 167 E 3.9885 8.9066 118.9102 59.2307 29.3838 178.9735 168 A 3.9034 7.6267 119.1792 55.3580 18.3901 179.3882 169 A 4.4412 8.0425 118.9599 55.5612 18.5153 180.0885 170 K 4.0757 8.3436 116.8269 59.6370 31.9827 179.6147 171 K 4.0342 7.8608 118.4038 59.2869 32.3339 178.7788 172 I 3.6906 8.1556 120.8332 64.4587 36.8162 177.5713 173 Y 4.2097 8.3469 119.4046 60.8618 38.6593 177.9055 174 Q 3.9909 7.8685 117.0359 57.7036 28.8313 176.3452 175 N 4.4534 7.8386 122.2047 53.1791 38.8228 174.5635 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 8 Y 8.14 4.84 0.00 3.19 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 9 S 9.07 4.41 0.00 3.60 3.53 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 0.00 0.00 0.00 0.00 10 Y 8.78 5.05 0.00 2.73 2.92 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 11 I 8.72 4.96 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.98 0.00 0.00 12 F 9.17 5.24 0.00 2.94 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 13 K 8.80 4.84 0.00 1.66 1.11 0.00 1.22 0.00 0.00 0.70 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.40 7.81 14 Y 9.81 5.51 0.00 3.07 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 15 I 8.41 5.01 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.61 0.00 0.00 16 I 8.60 5.11 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.87 0.00 0.00 17 I 9.27 4.51 1.42 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.88 0.00 0.00 18 G 6.34 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 19 D 7.83 4.85 0.00 2.87 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 20 M 8.48 4.03 0.00 2.05 2.07 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 2.70 2.60 0.00 21 G 8.95 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 0.00 0.00 0.00 0.00 22 V 7.22 3.75 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 0.80 0.00 0.00 0.94 0.00 0.00 23 G 8.30 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 0.00 0.00 0.00 0.00 24 K 8.52 3.91 0.00 1.80 1.86 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 S 8.09 4.29 0.00 3.89 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 26 C 8.09 4.10 0.00 3.01 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 27 L 8.44 4.10 0.00 2.02 1.94 0.91 0.58 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 28 L 8.16 4.02 0.00 2.04 1.92 1.09 0.71 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 29 H 8.53 4.15 0.00 3.39 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.50 3.94 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 31 F 8.00 3.99 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 32 T 8.07 3.75 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 1.14 0.00 0.00 33 E 8.32 4.54 0.00 1.74 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 1.94 1.90 0.00 *34 K 7.82 4.31 0.00 1.73 1.67 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.28 7.81 *43 T 7.65 4.23 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 1.23 0.00 0.00 44 I 8.38 3.79 1.90 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 1.37 0.49 0.95 0.00 0.00 45 G 8.39 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 0.00 0.00 0.00 46 V 8.21 3.64 2.16 0.00 0.00 0.00 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 1.05 0.00 0.00 47 E 8.98 4.73 0.00 2.23 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 2.50 2.75 0.00 48 F 8.10 5.45 0.00 2.75 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 49 G 7.48 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 0.00 0.00 0.00 0.00 50 T 7.88 5.51 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 1.06 0.00 0.00 51 R 7.91 4.40 0.00 1.54 1.58 0.00 2.51 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 52 I 8.26 4.58 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.90 0.00 0.00 53 I 8.62 4.43 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 1.14 0.60 0.99 0.00 0.00 54 E 8.67 4.97 0.00 1.94 1.84 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 2.16 2.23 0.00 55 V 8.50 4.19 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 0.71 0.00 0.00 0.93 0.00 0.00 56 S 9.41 4.01 0.00 3.53 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 57 G 8.28 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 58 Q 7.49 4.57 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 59 K 8.52 4.82 0.00 1.75 1.77 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.46 7.81 60 I 8.59 4.90 1.53 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.73 -0.11 0.00 0.00 61 K 8.73 4.28 0.00 0.79 0.87 0.00 0.75 0.00 0.00 1.14 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.07 0.99 7.81 62 L 8.78 4.83 0.00 1.68 1.32 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.91 4.88 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 64 I 8.32 5.15 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 1.21 0.00 0.00 65 W 9.30 5.65 0.00 3.41 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 66 D 9.99 5.17 0.00 2.80 2.93 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 67 T 7.63 3.30 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 0.41 0.00 0.00 *75 A 8.63 4.29 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 76 V 7.63 3.79 2.24 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 1.24 0.00 0.00 1.01 0.00 0.00 77 T 8.21 4.13 4.23 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 1.01 0.00 0.00 *78 R 7.91 3.96 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 79 S 8.02 4.44 0.00 3.99 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 0.00 80 Y 8.47 4.30 0.00 3.68 3.39 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 81 Y 8.53 4.09 0.00 3.48 3.39 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 82 R 8.45 4.21 0.00 1.87 2.06 0.00 3.37 0.00 0.00 3.55 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 83 G 7.40 4.03 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 0.00 0.00 0.00 84 A 7.50 4.09 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 85 A 8.95 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.68 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 0.00 0.00 0.00 87 A 8.88 4.90 1.10 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 0.00 0.00 88 L 8.66 4.43 0.00 1.51 1.42 0.56 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 M 9.05 4.69 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 90 V 8.62 4.97 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 0.89 0.00 0.00 0.82 0.00 0.00 91 Y 8.68 4.92 0.00 3.19 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 92 D 8.98 5.27 0.00 2.78 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 93 I 8.78 4.08 1.99 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 1.35 0.70 0.92 0.00 0.00 94 T 8.15 4.49 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 1.23 0.00 0.00 95 R 8.12 4.48 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 96 R 9.37 3.96 0.00 1.94 1.98 0.00 3.10 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 97 S 8.19 4.25 0.00 4.11 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 98 T 8.01 4.87 4.43 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 1.41 0.00 0.00 99 Y 7.84 3.87 0.00 2.70 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 0.00 100 N 8.38 4.13 0.00 2.53 2.72 0.00 0.00 7.08 7.87 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 0.00 101 H 7.56 4.66 0.00 3.53 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.58 4.18 0.00 0.90 1.31 0.27 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.84 4.33 0.00 4.11 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 0.00 104 S 7.89 3.98 0.00 3.73 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 0.00 105 W 8.02 4.43 0.00 3.67 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 0.00 106 L 8.52 4.11 0.00 2.06 1.99 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.04 3.86 4.41 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 1.19 0.00 0.00 108 D 7.99 4.37 0.00 3.09 2.88 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 0.00 109 A 8.26 4.17 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 0.00 110 R 8.36 4.03 0.00 1.90 1.99 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 111 N 8.53 4.32 0.00 2.69 2.95 0.00 0.00 7.30 7.70 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 0.00 112 L 8.42 4.52 0.00 1.94 1.75 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.96 4.85 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 1.34 0.00 0.00 114 N 8.74 5.15 0.00 2.94 3.09 0.00 0.00 7.40 7.79 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 0.00 115 P 0.00 4.38 0.00 2.05 2.14 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 116 N 8.06 4.54 0.00 2.82 2.77 0.00 0.00 6.96 7.70 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 0.00 117 T 7.46 3.92 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 1.13 0.00 0.00 118 V 8.83 3.79 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 0.70 0.00 0.00 0.88 0.00 0.00 119 I 8.29 4.82 1.84 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 1.17 0.80 0.96 0.00 0.00 120 I 8.50 4.68 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.85 0.77 0.00 0.00 121 L 9.31 5.01 0.00 1.95 1.95 1.27 1.07 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 0.00 122 I 9.30 4.82 1.77 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 1.05 0.73 0.79 0.00 0.00 123 G 8.86 3.15 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 0.00 124 N 8.71 5.01 0.00 2.68 2.79 0.00 0.00 6.96 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 0.00 125 K 8.77 4.21 0.00 2.11 1.87 0.00 2.27 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.36 7.81 126 A 7.98 4.14 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 0.00 127 D 8.09 4.44 0.00 2.84 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 0.00 128 L 7.67 4.57 0.00 1.89 1.85 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.98 3.94 0.00 2.15 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 2.56 2.32 0.00 130 A 7.96 4.10 1.31 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 0.00 0.00 0.00 131 Q 8.05 4.38 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 132 R 7.57 3.99 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 133 D 9.27 4.86 0.00 2.64 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 0.00 134 V 7.56 4.35 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 0.11 0.00 0.00 0.74 0.00 0.00 135 T 8.58 4.28 4.54 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 1.20 0.00 0.00 136 Y 8.66 4.67 0.00 3.31 3.09 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 0.00 0.00 0.00 0.00 137 E 8.28 4.08 0.00 2.16 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 2.50 2.65 0.00 138 E 8.27 3.94 0.00 2.16 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 0.00 2.20 1.80 0.00 139 A 7.36 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.61 3.47 0.00 1.59 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 141 Q 8.01 3.91 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 142 F 8.16 4.01 0.00 3.13 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 0.00 143 A 7.97 3.90 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 0.00 144 E 8.44 4.08 0.00 2.17 2.23 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 2.57 2.29 0.00 145 E 8.11 3.89 0.00 1.98 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 0.00 2.15 2.25 0.00 146 N 7.35 4.66 0.00 2.40 2.51 0.00 0.00 6.97 6.99 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 0.00 147 G 7.46 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 0.00 148 L 7.89 4.92 0.00 1.49 1.61 0.96 0.94 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 0.00 149 L 8.15 4.39 0.00 1.60 1.60 0.90 0.81 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 0.00 150 F 8.49 5.54 0.00 2.87 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 0.00 151 L 8.45 4.46 0.00 1.43 1.31 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.34 4.77 0.00 1.93 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 0.00 2.47 2.34 0.00 153 A 9.17 4.91 1.15 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 0.00 154 S 9.08 4.76 0.00 3.84 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 0.00 155 A 8.94 3.77 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 0.00 156 K 8.15 4.12 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 157 T 7.51 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 1.21 0.00 0.00 158 G 9.12 4.03 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 0.00 0.00 0.00 159 E 8.17 4.07 0.00 1.95 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 2.24 2.16 0.00 160 N 8.97 4.49 0.00 2.94 2.91 0.00 0.00 6.80 7.68 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 0.00 161 V 7.73 3.73 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 1.32 0.00 0.00 1.09 0.00 0.00 162 E 8.28 4.37 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 163 D 8.33 4.36 0.00 2.92 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 0.00 164 A 8.16 3.92 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 0.00 165 F 8.01 4.07 0.00 2.41 2.41 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 0.00 166 L 8.95 4.22 0.00 1.78 1.80 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.91 3.99 0.00 2.00 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 2.54 2.48 0.00 168 A 7.63 3.90 1.18 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 0.00 0.00 169 A 8.04 4.44 1.66 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 0.00 170 K 8.34 4.08 0.00 2.03 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.72 7.81 171 K 7.86 4.03 0.00 2.15 1.95 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 172 I 8.16 3.69 1.85 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 1.25 0.74 -0.30 0.00 0.00 173 Y 8.35 4.21 0.00 3.13 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 0.00 174 Q 7.87 3.99 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 175 N 7.84 4.45 0.00 2.67 2.62 0.00 0.00 6.80 6.90 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 * Residues marked with a * may have inaccurate shift predictions.