NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 L 4.2331 8.0427 122.4969 54.8730 44.0581 176.7719 28 E 3.9635 8.0418 119.3431 56.9690 29.8353 173.2165 29 E 4.1211 10.3213 126.6961 56.2682 28.8683 173.3564 30 N 5.2616 7.7105 116.7873 50.1173 42.0333 172.2122 31 P 4.5570 0.0000 0.0000 63.3536 31.6294 175.7909 32 A 4.1195 8.5216 125.2370 51.6441 18.8924 175.7789 33 P 4.2634 0.0000 0.0000 62.4434 32.0455 176.1644 34 D 4.5834 8.5737 122.2549 54.5333 42.3054 174.7996 35 F 5.0194 7.5380 116.4016 56.4177 41.1089 172.6639 36 T 5.1531 8.6755 116.1487 62.0054 71.5180 173.3599 37 L 4.9257 8.6483 124.6338 52.8900 46.9994 175.5433 38 N 4.9953 8.7083 118.4735 53.7997 39.8559 175.6103 39 T 4.7484 8.6541 119.4309 61.7269 69.8668 175.8760 40 L 4.1183 8.5009 121.7999 57.1632 42.1710 177.4410 41 N 4.9820 7.4624 116.3216 51.9352 37.0064 176.0799 42 G 3.9469 8.1546 103.6167 46.8114 0.0000 173.0104 43 E 4.4776 7.6036 120.0163 55.6961 31.4512 175.5171 44 V 4.9143 8.0811 119.3701 61.3430 35.1039 174.5542 45 V 4.3435 8.5061 125.4453 60.9359 34.9155 173.8537 46 K 4.5192 8.4463 129.0366 54.4208 33.3403 175.8794 47 L 3.6721 7.6546 130.7543 58.2855 42.3694 178.6757 48 S 4.1983 8.2085 114.6266 61.7341 62.8067 175.6458 49 D 4.7045 8.0234 116.4966 54.8948 40.2005 176.5837 50 L 4.5931 7.5918 117.7393 53.9857 42.3965 176.4110 51 K 3.9718 7.8866 118.8978 58.0645 32.1903 176.7967 52 G 4.0920 8.8911 111.5394 45.1446 0.0000 173.4421 53 Q 4.8233 7.4502 116.9375 53.7246 32.6422 175.4343 54 V 4.0529 8.2771 121.6522 62.8719 33.0087 175.0333 55 V 5.1518 8.5835 126.6439 60.0923 34.8591 174.1886 56 I 4.7412 7.9936 127.9104 59.7356 38.7297 175.2896 57 V 4.0594 8.4917 129.1380 61.7120 32.6270 174.0863 58 N 5.4002 8.7086 127.2634 51.7902 41.6846 172.8666 59 F 5.3042 9.3417 125.2258 55.6634 41.5568 174.9723 60 W 5.3686 8.9880 119.6860 55.7463 32.2480 173.0665 61 A 3.8826 7.9867 119.2455 50.4656 21.1344 177.7531 62 T 3.0853 8.2378 111.7676 64.0905 68.8488 175.5331 63 W 4.4533 7.2109 116.1039 56.4909 28.5959 176.5272 64 C 4.8239 7.4284 120.3258 54.8170 39.1807 172.2419 65 P 4.2742 0.0000 0.0000 65.1672 30.9006 176.9467 66 P 4.3204 0.0000 0.0000 65.6042 31.3033 178.9844 67 C 4.2390 8.3441 114.9870 60.5599 39.9370 176.4752 68 R 3.9993 7.8844 117.6717 58.8985 29.7489 178.3062 69 E 4.1599 8.0626 118.9400 58.5234 29.8532 177.6965 70 E 4.4868 7.9756 115.4497 56.3797 30.0796 177.9900 71 I 3.4472 6.9912 120.6928 64.1307 37.3289 175.5148 72 P 4.0738 0.0000 0.0000 65.4113 30.8833 177.1824 73 S 4.3373 7.5882 114.4467 57.3664 60.9816 174.3157 *76 R 4.2646 8.0138 127.9219 56.6584 32.2188 177.9088 77 L 3.9888 7.5639 118.3468 57.7941 42.4287 177.5952 78 N 4.4428 8.2727 115.8831 56.5954 39.1748 175.5248 79 A 4.0695 8.0869 119.0268 55.2766 18.4658 180.1176 80 A 3.9475 7.2825 116.2075 51.8983 17.5602 177.0695 *82 A 3.9793 8.0316 121.8339 54.8947 19.4522 178.2214 83 G 4.0028 9.0809 111.8272 45.2334 0.0000 173.6313 84 K 4.4514 7.5103 118.1164 54.7232 33.8515 175.7084 85 P 4.7527 0.0000 0.0000 62.0840 29.4619 173.8203 86 F 5.2626 7.9645 127.0271 58.0306 43.1929 172.9457 87 R 4.3129 8.0058 123.5011 54.5079 35.2107 173.5362 *89 L 4.1732 8.3377 118.3693 55.6464 43.3449 176.4067 90 C 4.9238 8.7539 123.9973 57.9382 28.7866 172.6745 91 V 3.9665 8.6559 125.0213 62.6253 32.2480 174.5150 92 S 4.1085 9.2465 124.4775 56.9642 63.6028 174.1064 93 I 4.3928 7.4819 119.1412 60.4124 38.5397 175.5348 94 D 4.3506 7.3809 123.5166 55.0753 41.0308 177.5533 95 E 3.9642 9.0087 124.8348 58.9476 30.1672 177.6312 96 G 3.7536 8.2081 106.0782 45.1791 0.0000 174.5919 97 G 3.6952 7.8286 109.7600 45.8915 0.0000 175.4058 98 K 3.7508 8.8240 118.9668 59.8080 32.0510 179.0625 99 V 3.5451 7.7982 117.3695 65.9462 31.4968 177.5753 100 A 3.9651 7.7871 119.9359 55.2358 18.2178 179.8300 101 V 3.4126 7.8822 116.8431 66.0741 31.5594 177.8872 102 E 4.0180 8.6576 118.6895 59.4523 29.3033 178.9038 103 E 3.9444 8.2139 119.0886 59.4157 29.7649 178.3712 104 F 4.3054 8.3184 120.5274 61.8240 39.4446 177.2463 105 F 4.5166 8.6048 117.2097 60.2765 38.4357 177.8252 106 R 3.8688 8.0389 117.9086 59.5001 30.0664 178.4864 107 K 4.0845 7.9800 117.1357 59.3803 32.1348 178.9579 108 T 3.8135 7.5092 108.6105 61.7171 69.1045 176.1193 109 G 3.7448 7.6245 108.4977 45.1990 0.0000 173.5214 110 F 4.7019 7.4076 117.9855 57.5109 39.7151 174.8420 111 T 3.3221 7.5731 115.0289 60.9811 69.9021 172.6171 112 L 4.3497 7.5181 125.4077 53.1564 45.6822 174.0365 113 P 4.5924 0.0000 0.0000 62.2059 30.7139 174.9264 114 V 4.7815 8.2540 124.4342 61.6268 33.7083 174.2519 115 L 5.1070 8.6217 126.2612 52.9982 45.1463 175.1810 116 L 4.8644 8.3726 121.9688 52.6204 43.6940 176.9958 117 D 4.6274 8.5069 122.9100 52.2205 41.4928 176.5093 118 A 4.0661 8.2039 123.3871 55.2219 18.5994 178.6386 119 D 4.5203 7.9761 112.0877 53.0169 40.2140 177.1904 120 K 4.0746 8.6071 119.6491 57.4293 30.4326 177.8797 121 R 3.9351 8.0362 118.3060 59.1180 29.3388 178.8896 122 V 3.7610 8.0121 118.7373 65.2638 31.5776 178.0705 123 G 3.1154 7.8565 105.2142 47.5915 0.0000 175.7931 124 K 3.9247 8.1728 121.4763 59.0251 31.8332 179.1282 125 L 3.9753 7.8643 119.8042 58.0872 42.0819 177.8689 126 Y 3.7777 7.8225 114.1859 57.3291 38.0990 176.1593 127 G 3.8761 7.6186 107.8143 46.2215 0.0000 174.2072 128 T 4.9336 7.4234 108.4149 61.1666 69.4008 174.2109 129 T 4.4304 8.2633 118.5808 64.6220 70.9137 174.1580 130 G 4.1547 7.5096 106.6456 45.3121 0.0000 172.2612 131 V 4.5651 8.1837 111.4319 58.7869 35.3412 173.6713 132 P 5.1555 0.0000 0.0000 61.7942 33.7142 174.3334 133 E 5.2004 8.6852 120.8992 55.3208 33.5107 173.8014 134 T 5.3880 9.1876 122.5993 61.9620 73.0094 172.8050 135 F 5.4183 9.9027 124.1820 55.6954 42.8754 174.3324 136 V 4.9704 8.9993 121.9903 61.2707 34.5183 174.1995 137 I 5.1920 8.8462 128.4789 59.5624 40.6725 175.4555 138 D 4.9641 9.2636 127.6852 52.3045 41.1563 177.5983 139 R 4.1466 8.6735 116.5546 59.4058 30.0399 178.0666 140 H 4.6988 8.2541 112.7696 55.4058 28.9643 175.7826 141 G 3.8985 8.6263 108.4301 45.7517 0.0000 173.4304 142 V 4.3231 8.3536 120.5199 61.4187 32.6203 175.1092 143 I 4.4353 8.1864 128.1025 61.6773 37.2335 176.1901 144 L 4.5538 9.5878 130.4299 56.3287 43.5685 176.6002 145 K 4.7038 8.0040 118.3232 54.6939 35.9622 174.5016 146 K 4.6986 8.6546 127.4842 54.4605 34.4455 174.9371 147 V 4.3341 8.9479 127.6193 61.0590 34.1364 174.0609 148 V 4.3235 8.5658 128.0375 62.5711 32.5335 176.6096 149 G 4.0126 9.1697 112.4457 44.9668 0.0000 172.4811 150 A 4.8742 8.1892 121.3985 51.5157 18.9857 177.7211 *152 E 3.9463 8.3486 118.8456 55.9303 29.1907 176.2571 153 W 4.3892 8.6232 123.4687 57.6346 29.4687 177.3460 154 D 4.5899 7.8810 117.3621 55.2116 39.9758 177.2023 155 H 4.6215 7.7724 117.4208 54.5897 30.6469 174.2643 156 P 4.2686 0.0000 0.0000 66.0244 31.2238 178.7190 157 E 3.9859 8.2173 116.6416 59.4997 29.3168 179.5632 158 V 3.6251 7.7237 117.3908 66.1107 31.8060 177.5277 159 I 3.7073 7.6472 118.9479 64.8513 36.9713 178.2425 160 A 4.1215 8.5094 121.2528 54.6501 17.9783 179.3975 161 F 4.1241 8.5601 119.4237 61.4060 39.6430 177.1046 162 L 4.1195 8.4139 118.7429 57.9272 41.2836 179.0853 163 N 4.2464 7.9452 115.0538 56.4293 38.5829 176.4939 164 N 4.2401 7.6139 116.9992 55.7941 38.8730 174.0523 165 E 4.1421 7.9413 125.0036 56.0497 29.7722 175.0627 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 27 L 8.04 4.23 0.00 1.82 1.89 0.80 0.40 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 28 E 8.04 3.96 0.00 2.12 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 2.36 2.37 0.00 29 E 10.32 4.12 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 30 N 7.71 5.26 0.00 2.70 2.68 0.00 0.00 6.69 8.70 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 31 P 0.00 4.56 0.00 2.09 2.12 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 32 A 8.52 4.12 1.48 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 0.00 0.00 33 P 0.00 4.26 0.00 2.09 1.93 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.55 0.00 34 D 8.57 4.58 0.00 2.65 2.59 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 35 F 7.54 5.02 0.00 3.18 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 36 T 8.68 5.15 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 1.22 0.00 0.00 37 L 8.65 4.93 0.00 1.63 1.53 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.71 5.00 0.00 2.69 2.74 0.00 0.00 6.91 7.05 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 39 T 8.65 4.75 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 1.32 0.00 0.00 40 L 8.50 4.12 0.00 1.71 1.81 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.46 4.98 0.00 2.93 2.97 0.00 0.00 6.72 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 42 G 8.15 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 43 E 7.60 4.48 0.00 1.90 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 2.31 2.26 0.00 44 V 8.08 4.91 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 0.78 0.00 0.00 0.94 0.00 0.00 45 V 8.51 4.34 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 0.91 0.00 0.00 46 K 8.45 4.52 0.00 1.78 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.29 7.81 47 L 7.65 3.67 0.00 0.75 1.30 0.83 0.86 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 48 S 8.21 4.20 0.00 3.88 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 49 D 8.02 4.70 0.00 2.63 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 50 L 7.59 4.59 0.00 1.85 1.55 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.89 3.97 0.00 1.72 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.39 7.81 52 G 8.89 4.09 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 0.00 0.00 0.00 53 Q 7.45 4.82 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 54 V 8.28 4.05 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 1.11 0.00 0.00 0.99 0.00 0.00 55 V 8.58 5.15 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 1.01 0.00 0.00 0.83 0.00 0.00 56 I 7.99 4.74 1.67 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 1.21 1.01 0.64 0.00 0.00 57 V 8.49 4.06 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 0.33 0.00 0.00 0.96 0.00 0.00 58 N 8.71 5.40 0.00 2.64 2.43 0.00 0.00 6.66 7.28 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 59 F 9.34 5.30 0.00 3.27 2.95 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 60 W 8.99 5.37 0.00 3.40 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 61 A 7.99 3.88 -0.01 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 62 T 8.24 3.09 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 63 W 7.21 4.45 0.00 3.47 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 64 C 7.43 4.82 0.00 2.46 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 65 P 0.00 4.27 0.00 2.27 2.17 0.00 3.77 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 66 P 0.00 4.32 0.00 2.21 2.14 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 67 C 8.34 4.24 0.00 3.19 3.33 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 68 R 7.88 4.00 0.00 2.01 2.34 0.00 3.66 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 69 E 8.06 4.16 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 70 E 7.98 4.49 0.00 2.40 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 0.00 2.58 2.38 0.00 71 I 6.99 3.45 1.53 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 0.88 0.54 0.09 0.00 0.00 72 P 0.00 4.07 0.00 2.00 2.11 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 73 S 7.59 4.34 0.00 4.21 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 *76 R 8.01 4.26 0.00 1.92 2.05 0.00 3.12 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 77 L 7.56 3.99 0.00 1.83 1.71 0.94 1.14 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 78 N 8.27 4.44 0.00 2.68 2.80 0.00 0.00 6.92 7.96 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 79 A 8.09 4.07 1.26 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 0.00 0.00 80 A 7.28 3.95 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 *82 A 8.03 3.98 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 83 G 9.08 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 0.00 0.00 0.00 84 K 7.51 4.45 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.30 7.81 85 P 0.00 4.75 0.00 2.22 2.23 0.00 3.47 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 2.09 2.09 0.00 86 F 7.96 5.26 0.00 2.98 2.86 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 87 R 8.01 4.31 0.00 1.48 1.61 0.00 3.32 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 *89 L 8.34 4.17 0.00 1.54 1.63 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.75 4.92 0.00 2.91 2.54 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 0.00 91 V 8.66 3.97 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 0.69 0.00 0.00 0.27 0.00 0.00 92 S 9.25 4.11 0.00 3.18 3.42 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 93 I 7.48 4.39 1.85 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 1.17 0.64 0.94 0.00 0.00 94 D 7.38 4.35 0.00 2.49 2.56 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 95 E 9.01 3.96 0.00 1.93 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 2.29 2.30 0.00 96 G 8.21 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 0.00 0.00 0.00 97 G 7.83 3.70 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 0.00 0.00 0.00 98 K 8.82 3.75 0.00 1.83 1.84 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.54 7.81 99 V 7.80 3.55 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 1.00 0.00 0.00 0.94 0.00 0.00 100 A 7.79 3.97 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 0.00 101 V 7.88 3.41 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 0.59 0.00 0.00 0.77 0.00 0.00 102 E 8.66 4.02 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 2.61 2.51 0.00 103 E 8.21 3.94 0.00 2.25 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 0.00 2.38 2.46 0.00 104 F 8.32 4.31 0.00 3.21 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 0.00 105 F 8.60 4.52 0.00 3.34 3.01 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 0.00 106 R 8.04 3.87 0.00 1.97 2.16 0.00 3.29 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 107 K 7.98 4.08 0.00 1.72 1.81 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 108 T 7.51 3.81 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 0.55 0.00 0.00 109 G 7.62 3.74 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 0.00 0.00 0.00 110 F 7.41 4.70 0.00 2.81 2.59 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 0.00 111 T 7.57 3.32 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 1.06 0.00 0.00 112 L 7.52 4.35 0.00 1.65 1.41 0.47 0.80 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 0.00 113 P 0.00 4.59 0.00 2.04 2.00 0.00 3.50 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 2.07 2.06 0.00 114 V 8.25 4.78 2.28 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 1.15 0.00 0.00 1.36 0.00 0.00 115 L 8.62 5.11 0.00 1.61 1.53 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.37 4.86 0.00 1.52 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.51 4.63 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.20 4.07 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 0.00 119 D 7.98 4.52 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.61 4.07 0.00 1.96 1.98 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.51 7.81 121 R 8.04 3.94 0.00 2.08 2.31 0.00 2.78 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 122 V 8.01 3.76 1.92 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 0.40 0.00 0.00 0.87 0.00 0.00 123 G 7.86 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 0.00 0.00 0.00 124 K 8.17 3.92 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 125 L 7.86 3.98 0.00 1.78 2.05 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.82 3.78 0.00 2.80 2.59 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 0.00 127 G 7.62 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 0.00 0.00 0.00 128 T 7.42 4.93 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 0.95 0.00 0.00 129 T 8.26 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 1.23 0.00 0.00 130 G 7.51 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 0.00 131 V 8.18 4.57 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 0.80 0.00 0.00 0.72 0.00 0.00 132 P 0.00 5.16 0.00 2.31 2.28 0.00 3.89 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 2.08 1.89 0.00 133 E 8.69 5.20 0.00 2.14 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 0.00 2.22 2.36 0.00 134 T 9.19 5.39 4.59 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 1.08 0.00 0.00 135 F 9.90 5.42 0.00 3.07 3.16 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 0.00 0.00 0.00 136 V 9.00 4.97 2.29 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 1.35 0.00 0.00 1.19 0.00 0.00 137 I 8.85 5.19 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.93 0.00 0.00 138 D 9.26 4.96 0.00 2.71 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 0.00 139 R 8.67 4.15 0.00 1.70 1.89 0.00 3.07 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 140 H 8.25 4.70 0.00 3.13 3.34 0.00 5.96 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 0.00 141 G 8.63 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 0.00 0.00 0.00 142 V 8.35 4.32 2.29 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 1.04 0.00 0.00 0.97 0.00 0.00 143 I 8.19 4.44 2.30 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 1.20 0.00 0.00 144 L 9.59 4.55 0.00 1.91 1.92 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.00 4.70 0.00 1.97 1.65 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.40 1.01 7.81 146 K 8.65 4.70 0.00 1.55 1.54 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.53 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 0.67 7.81 147 V 8.95 4.33 2.29 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 0.88 0.00 0.00 0.92 0.00 0.00 148 V 8.57 4.32 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 0.85 0.00 0.00 0.90 0.00 0.00 149 G 9.17 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 0.00 150 A 8.19 4.87 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 E 8.35 3.95 0.00 1.91 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.39 0.00 153 W 8.62 4.39 0.00 3.54 3.30 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 0.00 154 D 7.88 4.59 0.00 2.80 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 0.00 155 H 7.77 4.62 0.00 3.26 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.27 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 157 E 8.22 3.99 0.00 2.03 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 2.39 2.44 0.00 158 V 7.72 3.63 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 1.38 0.00 0.00 0.78 0.00 0.00 159 I 7.65 3.71 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 1.69 1.02 0.90 0.00 0.00 160 A 8.51 4.12 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 0.00 161 F 8.56 4.12 0.00 3.08 3.40 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 0.00 162 L 8.41 4.12 0.00 1.99 1.77 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 163 N 7.95 4.25 0.00 2.69 2.87 0.00 0.00 7.02 7.35 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 0.00 164 N 7.61 4.24 0.00 2.95 2.88 0.00 0.00 7.06 8.99 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 0.00 165 E 7.94 4.14 0.00 1.72 1.75 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 2.13 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.