NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 S 4.3526 8.3193 116.7954 58.5710 64.5738 174.2712 31 I 2.8994 8.4585 112.0714 62.0617 38.1972 168.6158 32 V 3.7674 8.4382 125.2432 62.7534 32.0392 176.4794 33 L 4.1526 8.6326 127.0623 54.3738 41.6186 173.2645 34 E 3.7295 8.1374 125.6735 54.8470 28.1082 171.8428 35 P 4.3437 0.0000 0.0000 63.1613 32.6865 176.6697 36 I 4.3291 8.9220 122.8789 58.9367 38.8736 173.1731 37 Y 4.5145 8.0130 123.1171 58.2246 38.4361 176.5274 38 W 4.7328 9.4772 135.0000 55.8753 29.2618 173.6813 39 N 4.8678 8.5682 121.7950 52.2799 41.5157 175.5632 40 S 4.6210 9.1239 121.9910 61.5038 63.1626 176.0459 41 S 4.1617 8.2834 114.2675 59.6869 63.2622 173.5070 42 N 4.4240 9.6422 121.3142 53.5283 38.2547 175.3267 43 S 4.2268 8.6976 121.8205 61.1699 63.1574 175.9835 44 K 3.9910 8.3126 119.6852 58.4663 31.8119 177.6770 45 F 4.3398 7.5644 118.6734 55.3403 37.3110 173.0405 46 L 3.9728 8.0588 122.4821 53.7965 41.1760 174.7503 47 P 4.3956 0.0000 0.0000 64.7990 31.0416 176.7363 48 G 4.0146 10.0465 111.8342 45.3760 0.0000 173.6092 49 Q 4.4021 8.1288 117.2465 54.7817 31.2940 176.3190 50 G 4.3988 8.0185 104.7995 46.0326 0.0000 171.5338 51 L 4.6352 8.7859 120.9177 53.2099 44.5144 176.8114 52 V 4.6597 8.3037 125.8809 61.2966 33.1763 174.6162 53 L 4.6167 9.0656 127.1770 52.2948 45.7652 175.5978 54 Y 5.1377 7.6266 115.4981 56.7566 37.4779 174.5737 55 P 4.1157 0.0000 0.0000 62.6999 33.1954 177.3911 56 Q 4.7419 8.2545 123.3242 53.7941 32.4245 174.6477 57 I 4.2441 9.3232 124.0830 62.9186 37.1241 176.1227 58 G 4.1703 9.2949 115.1756 45.7617 0.0000 173.9703 59 D 4.6896 8.3021 120.2690 54.4576 42.0791 175.4802 60 K 5.0478 8.7903 123.5712 54.6527 35.1087 174.5719 61 L 5.0121 9.2484 127.8628 53.5067 46.2489 174.4627 62 D 5.2196 8.6888 124.7471 52.7159 43.6690 174.9759 63 I 4.6575 8.4397 125.7617 60.2790 38.7876 175.1581 64 I 4.8944 8.3336 127.3163 59.8227 40.7313 174.2439 65 C 5.5383 9.3036 123.8768 53.9423 41.0972 171.8758 66 P 5.1557 0.0000 0.0000 62.5809 32.0581 177.4699 67 K 4.5641 8.8228 121.2337 57.5464 34.9592 176.2989 68 V 5.1276 7.4164 110.0645 61.8587 36.1582 173.5372 *72 T 3.8894 8.3477 117.4631 63.1326 69.0204 171.3910 73 V 3.7061 8.3923 125.6275 63.4161 28.6976 170.3819 *75 Q 4.2916 7.9929 124.5275 55.1210 30.8749 174.6793 76 Y 4.1726 7.9302 118.5941 57.3854 39.4009 174.3425 77 E 4.1132 7.8260 126.7490 55.2887 29.4225 175.4748 78 Y 4.2215 8.7287 123.6793 57.8394 38.8095 174.7846 79 Y 4.9719 9.0105 120.8079 56.4974 43.2610 174.4883 80 K 4.6586 8.4587 121.8942 54.7442 33.6918 174.5229 81 V 3.8023 8.4253 126.9467 62.0888 32.7501 174.2529 82 Y 4.8678 8.9418 124.6613 56.3261 42.2065 173.8413 83 M 5.1149 8.6212 120.4940 54.2701 33.6861 175.2317 84 V 4.8205 9.2714 118.5127 59.4305 37.1124 174.6772 85 D 4.9559 8.5559 121.4009 52.4247 40.5212 177.0686 86 K 2.6174 8.6634 119.7946 59.6606 31.5214 177.4513 87 D 4.2329 8.0538 116.7335 57.8699 40.8901 178.0561 88 Q 4.0524 7.9065 117.5466 58.4310 28.5758 178.6268 89 A 3.9201 7.7171 121.7678 54.4396 18.7942 177.7762 90 D 4.3795 7.4364 116.1549 54.8454 42.1990 176.6024 91 R 3.6158 8.2963 118.4079 58.1304 27.4426 177.7590 92 C 4.2322 7.5062 115.4364 56.4988 41.0199 175.1360 93 T 5.1542 8.2376 112.2632 59.9555 71.7211 173.1444 94 I 4.3374 8.9973 122.5030 60.9035 41.2871 174.3052 95 K 4.0165 8.6945 124.2273 56.8908 33.0864 177.6388 *97 E 3.9992 9.0625 122.2220 56.9213 31.3614 174.7520 98 N 4.1666 8.2619 120.1853 53.7158 36.6173 171.9760 99 T 4.8626 7.9713 118.0414 60.2771 71.6740 172.5781 100 P 3.7255 0.0000 0.0000 62.4325 31.8237 176.5868 101 L 3.9290 8.6624 124.1521 56.1378 42.6535 177.1736 102 L 4.5165 7.3193 118.3262 52.3530 44.9753 176.5978 103 N 4.7351 8.2765 125.2510 52.1625 37.3359 175.3240 104 C 4.5598 8.2938 117.1946 57.8855 41.2760 176.0480 105 A 5.0043 8.5140 122.7887 53.1130 21.5012 176.6564 106 K 4.4269 7.7855 120.9104 53.6507 31.8684 174.4365 107 P 2.9700 0.0000 0.0000 64.1840 31.3822 178.8592 108 D 4.3933 7.7472 117.4329 54.5545 39.9709 175.3229 109 Q 4.7136 7.5115 115.9348 54.0739 32.1868 174.4495 110 D 5.0000 8.6344 118.8943 53.9660 41.9358 176.2715 111 I 4.6064 8.6400 123.8304 59.8022 39.8664 174.6300 112 K 5.2382 8.1730 124.1247 56.3551 35.3753 174.1656 113 F 4.5543 8.6569 127.8620 56.7138 42.5224 173.3830 114 T 4.5763 7.9103 123.3215 62.4089 69.3461 174.2897 115 I 4.2541 9.1020 128.9697 60.0669 39.1162 175.2137 116 K 4.4249 8.2746 127.6707 54.2287 33.4426 176.5705 117 F 4.1359 8.6925 130.1235 57.1096 36.2011 174.0319 118 Q 4.8723 8.0479 119.1197 54.3500 31.6189 177.2757 119 E 4.6330 9.1595 121.3181 58.4005 30.0458 176.7912 120 F 4.6205 8.0131 118.1855 56.1153 39.9095 175.4162 121 S 5.0355 9.5764 121.7404 55.7265 62.9412 172.6047 122 P 4.3927 0.0000 0.0000 64.3429 31.3701 175.7033 123 N 4.9960 7.8619 117.1618 51.3875 40.6562 175.3333 124 L 3.9040 8.4527 126.3868 57.2809 42.3804 177.3820 125 W 4.6426 9.0567 116.7289 56.2169 29.1943 175.8861 126 G 4.1270 7.4594 107.2755 43.6094 0.0000 174.3906 127 L 3.9856 8.4955 123.3423 55.3367 42.2725 176.3170 128 E 4.9241 7.6865 118.6356 54.9002 33.9229 174.3065 129 F 4.7916 9.3513 119.9142 55.9188 44.0371 173.3078 130 Q 4.8305 8.9926 119.3735 54.2357 31.9212 174.7144 131 K 4.0629 8.8120 127.0048 57.9363 32.8131 175.7693 132 N 4.4188 8.8999 121.3777 54.4987 35.8285 174.2543 133 K 4.6829 7.8597 115.0353 54.7488 36.8690 175.0998 134 D 4.9556 8.1793 121.6878 52.9917 43.6362 174.9793 135 Y 4.9360 8.2931 118.5807 56.3867 42.2125 174.0000 136 Y 5.3991 8.6089 120.3620 56.2937 41.7752 174.6969 137 I 5.2314 9.0645 124.3822 59.7207 40.3857 174.6559 138 I 5.2845 8.7154 119.9587 59.3128 41.9570 174.1091 139 S 5.0957 8.7448 115.4920 56.9545 65.8671 173.7597 140 T 5.3197 8.5842 115.5446 61.0596 70.0764 174.2192 141 S 4.8315 8.0936 118.2046 59.0501 63.6072 175.2069 142 N 3.7713 9.0406 120.5326 55.1325 38.4218 176.0011 143 G 3.7267 8.5378 106.9803 45.6511 0.0000 173.8776 144 S 4.9320 7.4657 112.7539 56.4894 64.8434 173.9227 145 L 3.3570 8.3258 123.1040 57.9906 41.5549 177.8520 146 E 3.7606 7.7529 116.1134 59.2634 30.2395 178.3096 147 G 3.9698 7.7740 106.9665 44.2269 0.0000 173.8166 148 L 4.1434 7.5712 120.5060 56.7282 43.1668 176.7135 149 D 4.9075 7.8639 115.9830 53.7909 41.1456 175.8589 150 N 4.3617 8.1273 117.5971 54.0941 38.8965 174.8662 151 Q 4.3973 8.6811 120.4806 55.8071 29.6245 174.8771 152 E 4.8898 7.6231 117.3328 55.3538 34.7734 175.8563 153 G 3.6816 10.7815 112.1247 45.6980 0.0000 177.2058 154 G 4.5646 8.7260 115.7149 44.7267 0.0000 175.2258 155 V 3.4188 8.9403 118.6298 64.9654 31.6676 176.9430 156 C 3.9701 8.0618 121.3711 59.4247 43.8281 175.0905 157 Q 3.9468 8.3197 120.1899 59.8654 29.0914 178.6459 158 T 3.9132 8.1740 116.3751 65.4042 67.9647 175.8067 159 R 3.9093 6.5332 129.8182 57.3921 31.7200 175.0405 160 A 4.2427 7.4831 118.3892 53.9010 16.3374 178.3791 161 M 3.4680 7.3910 120.4401 54.3405 30.9622 176.2203 162 K 5.0591 7.3970 119.8286 54.4695 37.2557 176.0857 163 I 5.1650 8.8659 122.8167 59.7182 40.6543 174.0657 164 L 4.9571 8.8661 130.0097 53.5811 44.2504 174.8035 165 M 4.6062 8.9115 126.6770 53.7561 34.4179 175.5329 166 K 5.4976 8.8284 126.7708 53.2683 31.5564 175.2833 167 V 3.8215 8.2332 121.8632 64.5439 32.1283 176.3906 168 G 4.1461 9.0297 114.5433 46.3246 0.0000 172.8966 169 Q 4.6937 7.8008 116.4638 53.6515 31.8277 176.2916 170 D 4.2859 8.2200 119.7882 53.2963 42.8633 174.7799 171 A 4.1005 7.6447 122.4940 50.4878 20.7806 176.6371 172 S 4.2554 8.7444 118.0705 59.2636 62.8431 174.5233 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 30 S 8.32 4.35 0.00 3.88 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 31 I 8.46 2.90 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.97 0.00 0.00 32 V 8.44 3.77 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 0.82 0.00 0.00 0.93 0.00 0.00 33 L 8.63 4.15 0.00 1.81 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.14 3.73 0.00 2.08 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 2.36 0.00 35 P 0.00 4.34 0.00 1.66 1.67 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 36 I 8.92 4.33 1.87 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 1.13 1.14 0.82 0.00 0.00 37 Y 8.01 4.51 0.00 3.00 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 38 W 9.48 4.73 0.00 3.46 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 39 N 8.57 4.87 0.00 2.93 2.77 0.00 0.00 6.80 7.63 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 40 S 9.12 4.62 0.00 4.01 4.19 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 41 S 8.28 4.16 0.00 4.03 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 42 N 9.64 4.42 0.00 2.99 3.03 0.00 0.00 6.78 7.42 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 43 S 8.70 4.23 0.00 4.02 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 44 K 8.31 3.99 0.00 1.75 1.67 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.36 7.81 45 F 7.56 4.34 0.00 3.17 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 46 L 8.06 3.97 0.00 1.92 1.68 0.92 0.95 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 47 P 0.00 4.40 0.00 2.17 2.12 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 48 G 10.05 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 49 Q 8.13 4.40 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 50 G 8.02 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 0.00 0.00 0.00 0.00 51 L 8.79 4.64 0.00 1.38 1.07 0.40 0.82 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 52 V 8.30 4.66 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 0.42 0.00 0.00 0.90 0.00 0.00 53 L 9.07 4.62 0.00 1.35 1.28 0.86 -0.29 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 54 Y 7.63 5.14 0.00 2.79 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 55 P 0.00 4.12 0.00 0.54 0.87 0.00 3.20 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 56 Q 8.25 4.74 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 57 I 9.32 4.24 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 1.00 0.00 0.00 58 G 9.29 4.17 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 0.00 0.00 0.00 59 D 8.30 4.69 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 5.05 0.00 1.83 1.63 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.30 7.81 61 L 9.25 5.01 0.00 1.95 1.52 0.95 1.28 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 62 D 8.69 5.22 0.00 2.62 2.48 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 0.00 0.00 0.00 0.00 63 I 8.44 4.66 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 1.06 0.00 0.00 64 I 8.33 4.89 1.59 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 1.21 0.00 0.00 65 C 9.30 5.54 0.00 3.09 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 66 P 0.00 5.16 0.00 2.12 2.17 0.00 4.02 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 67 K 8.82 4.56 0.00 1.76 1.86 0.00 1.64 0.00 0.00 1.93 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 68 V 7.42 5.13 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 0.54 0.00 0.00 0.93 0.00 0.00 *72 T 8.35 3.89 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 1.21 0.00 0.00 73 V 8.39 3.71 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 0.77 0.00 0.00 1.01 0.00 0.00 *75 Q 7.99 4.29 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 76 Y 7.93 4.17 0.00 2.82 2.68 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 0.00 0.00 0.00 77 E 7.83 4.11 0.00 1.90 1.44 0.00 0.00 0.00 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 2.25 0.00 78 Y 8.73 4.22 0.00 2.88 2.85 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 0.00 0.00 0.00 79 Y 9.01 4.97 0.00 2.85 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 80 K 8.46 4.66 0.00 1.83 1.86 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.72 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.19 1.35 7.81 81 V 8.43 3.80 1.47 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 -0.04 0.00 0.00 -0.65 0.00 0.00 82 Y 8.94 4.87 0.00 2.84 2.79 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 83 M 8.62 5.11 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.66 0.00 84 V 9.27 4.82 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 0.80 0.00 0.00 1.00 0.00 0.00 85 D 8.56 4.96 0.00 2.84 2.85 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 0.00 0.00 0.00 86 K 8.66 2.62 0.00 1.81 1.76 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.16 7.81 87 D 8.05 4.23 0.00 2.64 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 88 Q 7.91 4.05 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 89 A 7.72 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.44 4.38 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.30 3.62 0.00 1.89 1.93 0.00 3.39 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 92 C 7.51 4.23 0.00 2.88 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 93 T 8.24 5.15 4.20 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 1.31 0.00 0.00 94 I 9.00 4.34 1.69 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.16 0.73 0.00 0.00 95 K 8.69 4.02 0.00 1.67 1.45 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.35 7.81 *97 E 9.06 4.00 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 2.24 2.27 0.00 98 N 8.26 4.17 0.00 2.88 2.71 0.00 0.00 7.07 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 99 T 7.97 4.86 4.27 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 1.19 0.00 0.00 100 P 0.00 3.73 0.00 1.73 1.36 0.00 3.55 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 1.84 1.30 0.00 101 L 8.66 3.93 0.00 0.97 0.76 0.46 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.32 4.52 0.00 1.17 1.36 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.28 4.74 0.00 2.65 2.72 0.00 0.00 7.26 7.65 0.00 0.00 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 C 8.29 4.56 0.00 3.26 3.20 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 0.00 105 A 8.51 5.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.43 0.00 1.81 1.64 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.41 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.37 7.81 107 P 0.00 2.97 0.00 1.88 1.33 0.00 3.63 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 108 D 7.75 4.39 0.00 2.75 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 0.00 109 Q 7.51 4.71 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 110 D 8.63 5.00 0.00 2.63 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 0.00 111 I 8.64 4.61 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.20 0.95 0.00 0.00 112 K 8.17 5.24 0.00 1.76 1.63 0.00 1.49 0.00 0.00 2.61 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.25 7.81 113 F 8.66 4.55 0.00 3.29 2.79 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 0.00 114 T 7.91 4.58 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 1.17 0.00 0.00 115 I 9.10 4.25 1.60 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 1.51 0.96 0.22 0.00 0.00 116 K 8.27 4.42 0.00 1.64 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.50 7.81 117 F 8.69 4.14 0.00 3.07 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 0.00 118 Q 8.05 4.87 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.92 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 119 E 9.16 4.63 0.00 1.97 1.49 0.00 0.00 0.00 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 2.39 0.00 120 F 8.01 4.62 0.00 3.06 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 0.00 121 S 9.58 5.04 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.39 0.00 2.11 2.12 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 123 N 7.86 5.00 0.00 2.80 2.71 0.00 0.00 6.66 6.14 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 0.00 124 L 8.45 3.90 0.00 1.32 1.09 0.61 -0.62 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 0.00 125 W 9.06 4.64 0.00 3.54 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 0.00 126 G 7.46 4.13 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 0.00 0.00 0.00 127 L 8.50 3.99 0.00 1.67 1.22 0.96 0.73 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 0.00 128 E 7.69 4.92 0.00 1.58 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 2.14 2.31 0.00 129 F 9.35 4.79 0.00 2.86 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 0.00 130 Q 8.99 4.83 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 131 K 8.81 4.06 0.00 1.81 1.75 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 132 N 8.90 4.42 0.00 2.97 2.97 0.00 0.00 6.76 7.23 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 0.00 133 K 7.86 4.68 0.00 1.68 1.28 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.41 7.81 134 D 8.18 4.96 0.00 2.30 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 0.00 0.00 0.00 135 Y 8.29 4.94 0.00 3.05 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 0.00 136 Y 8.61 5.40 0.00 2.87 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 0.00 137 I 9.06 5.23 2.15 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 1.38 1.14 1.02 0.00 0.00 138 I 8.72 5.28 2.02 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 1.24 0.99 1.05 0.00 0.00 139 S 8.74 5.10 0.00 4.11 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 0.00 140 T 8.58 5.32 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 1.26 0.00 0.00 141 S 8.09 4.83 0.00 4.09 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 0.00 142 N 9.04 3.77 0.00 2.58 2.88 0.00 0.00 7.17 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 0.00 143 G 8.54 3.73 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 0.00 0.00 0.00 144 S 7.47 4.93 0.00 4.09 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 0.00 145 L 8.33 3.36 0.00 0.27 1.31 0.36 0.64 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 0.00 146 E 7.75 3.76 0.00 1.93 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 2.37 0.00 147 G 7.77 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 0.00 148 L 7.57 4.14 0.00 1.70 1.69 1.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.86 4.91 0.00 2.70 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 0.00 150 N 8.13 4.36 0.00 2.97 2.79 0.00 0.00 7.01 7.69 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 0.00 151 Q 8.68 4.40 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 152 E 7.62 4.89 0.00 1.89 1.79 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 2.18 2.19 0.00 153 G 10.78 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.73 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 3.42 2.44 0.00 0.00 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 0.96 0.00 0.00 156 C 8.06 3.97 0.00 3.10 3.35 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 0.00 157 Q 8.32 3.95 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 158 T 8.17 3.91 4.35 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 1.21 0.00 0.00 159 R 6.53 3.91 0.00 1.72 1.84 0.00 3.37 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 160 A 7.48 4.24 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 0.00 161 M 7.39 3.47 0.00 0.51 1.42 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.38 0.00 162 K 7.40 5.06 0.00 1.75 1.80 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 163 I 8.87 5.16 2.17 0.00 0.00 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 1.27 1.42 1.00 0.00 0.00 164 L 8.87 4.96 0.00 1.85 1.51 0.55 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 165 M 8.91 4.61 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 166 K 8.83 5.50 0.00 1.76 1.87 0.00 1.74 0.00 0.00 2.14 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 0.99 7.81 167 V 8.23 3.82 2.42 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 1.04 0.00 0.00 1.11 0.00 0.00 168 G 9.03 4.15 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 0.00 169 Q 7.80 4.69 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 170 D 8.22 4.29 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.64 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.74 4.26 0.00 3.87 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.