NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 K 4.3842 8.3031 120.1461 58.7410 32.7650 175.4337 32 G 3.8189 9.3838 114.6210 44.6973 0.0000 172.0790 33 D 4.1548 7.7333 119.6963 56.3963 42.0685 173.1033 34 K 3.8102 8.3881 123.0982 54.6642 34.5640 175.3900 35 A 3.8148 8.0897 131.7522 51.1852 18.7104 175.4320 36 P 4.2086 0.0000 0.0000 62.7657 31.9098 175.9607 37 D 4.7165 8.3885 122.2736 53.9241 42.9557 174.3458 38 F 4.7980 7.3534 112.2480 56.3522 40.6655 173.0579 39 A 4.9604 9.0310 121.0052 50.4290 20.5197 175.1092 40 L 5.0285 8.9720 121.0630 52.7488 45.5333 174.6926 41 P 4.6679 0.0000 0.0000 63.0675 32.7382 175.8332 42 G 4.6041 8.9430 111.9743 43.2714 0.0000 173.0822 43 K 4.3781 8.7947 117.5649 59.6638 32.7093 178.0277 44 T 4.6574 8.0353 108.9431 58.8382 69.3745 174.2612 45 G 3.9075 7.7057 110.0868 45.9752 0.0000 171.7022 46 V 4.4899 7.8078 119.9060 62.1170 32.8281 176.1403 47 V 4.4480 9.1885 127.7558 61.1757 33.7561 174.4267 48 K 5.3092 8.2984 126.0539 53.2012 35.1249 176.8912 49 L 3.6414 7.5913 127.6723 57.8389 42.0660 179.1085 50 S 4.1306 7.7597 112.3842 60.9057 62.8881 175.0129 51 D 4.4742 8.0014 119.7286 55.6947 40.9007 176.8667 52 K 4.4185 7.8490 119.2262 56.1239 32.1192 176.5994 53 T 3.9239 7.5246 109.7103 63.0906 69.0215 174.6343 54 G 3.9944 8.8000 112.6083 45.0613 0.0000 173.3138 55 S 4.9270 7.4676 115.2419 56.3719 66.6832 173.5718 56 V 4.1326 8.5482 122.4808 62.8083 32.8072 174.9181 57 V 4.7167 8.6343 127.3346 61.4245 34.4307 173.7099 58 Y 4.8215 8.6013 130.2007 56.0201 39.1358 172.8839 59 L 4.4844 8.7468 128.6571 54.2116 43.4958 174.5454 60 D 4.9316 9.0226 126.5819 52.2907 44.0272 174.4235 61 F 5.2827 9.1737 125.0925 55.7351 41.0179 174.8026 62 W 5.1319 8.6194 120.2698 55.1009 32.4143 173.5567 63 A 3.8258 7.7825 118.7111 50.4530 20.9330 177.7811 64 S 3.7296 9.5892 116.4239 60.8487 63.0858 175.6804 65 W 4.3767 7.2104 115.1320 56.9909 28.4617 175.4861 66 C 4.6077 7.7249 121.6353 58.0295 30.7497 173.8511 67 G 3.8913 9.0244 115.0935 47.7102 0.0000 171.8146 68 P 4.5911 0.0000 0.0000 64.7888 31.4005 178.1994 69 C 4.9464 8.2081 117.4163 62.0057 27.8472 175.8216 70 R 4.1626 8.1781 118.7631 58.2889 29.6907 178.3021 71 Q 4.4975 8.0847 117.7962 58.3043 29.6525 177.7284 72 S 3.0661 7.9221 115.1209 61.2745 62.2766 176.6864 73 F 3.9108 8.2118 120.3670 60.0417 39.0773 174.7066 74 P 4.4603 0.0000 0.0000 65.6555 31.2989 179.2833 75 W 4.0498 7.8948 123.9926 58.2034 30.3052 176.3960 *77 N 4.8748 8.3286 115.1363 53.1011 39.8713 177.0073 78 Q 3.9708 7.7050 115.1059 57.3489 29.0444 177.5515 *80 Q 4.3491 8.2133 118.6795 55.9171 30.7745 177.0963 81 A 3.9231 8.1485 118.2454 55.1658 18.5010 179.1021 82 K 3.7148 8.1020 117.0571 58.9667 32.3674 177.4989 83 Y 4.6463 7.4768 113.4100 57.4469 38.8652 177.2180 84 K 4.4018 8.3339 123.4858 58.9368 32.0127 178.3801 85 A 4.0753 7.9730 119.9741 54.8247 18.4185 178.0926 86 K 4.2505 7.7076 113.7985 56.7397 32.4553 177.3186 87 G 3.9188 8.4327 107.8753 45.7860 0.0000 172.7122 88 F 5.4634 8.3182 121.2930 56.4229 41.7632 174.1874 89 Q 4.6791 8.7196 124.7862 54.0258 32.4050 174.3075 90 V 4.0880 8.4645 124.9291 61.5220 33.4752 174.8036 91 V 4.4815 8.4233 127.2955 61.2364 34.1131 174.2979 92 A 4.9047 8.9452 132.2602 50.3782 20.2165 175.9953 93 V 3.9934 8.7669 123.6350 62.8543 32.4828 174.8837 94 N 3.4501 8.9821 128.3988 52.5770 39.9685 175.0178 95 L 4.7993 7.6189 124.9019 54.4542 43.1064 176.4483 96 D 4.5110 8.1792 119.4250 54.0876 41.2188 176.9511 97 A 4.0816 8.9021 126.2943 54.0089 18.9696 177.4170 98 K 4.5224 7.8485 115.7860 54.5506 33.7503 176.8321 99 T 3.8449 8.6558 115.7657 64.4940 68.8997 176.4283 100 G 3.8544 8.3156 110.0392 48.7232 0.0000 174.1213 101 D 4.4733 8.3755 119.7339 57.2231 41.1055 178.9810 102 A 4.0150 8.1157 118.6460 52.9073 17.8490 178.8408 *104 K 4.2702 8.1173 122.2694 57.9319 34.1350 177.8548 105 F 4.0744 8.3520 120.2561 61.4583 39.2038 177.2904 106 L 4.1264 8.9127 118.5538 56.8221 41.4770 178.9224 107 A 4.1837 7.5531 119.1641 53.7276 18.4527 177.9851 108 Q 4.1443 7.6300 114.7329 57.0079 30.3902 176.2618 109 V 3.9062 7.6129 121.8685 59.5972 30.4632 172.4447 110 P 4.1797 0.0000 0.0000 62.5831 31.5003 176.5151 111 A 3.9447 8.0482 123.1373 50.3102 19.9035 175.6583 112 E 4.2175 7.9786 124.7283 56.9245 29.8261 176.4815 113 F 4.9450 6.4639 111.6991 55.4655 41.6829 173.9948 114 T 4.0785 8.3272 115.6061 63.8897 69.1653 173.9269 115 V 4.9771 8.4745 124.9480 61.0721 34.4844 174.2447 116 A 4.9468 8.6688 127.7815 50.0851 22.9331 174.5288 117 F 4.8455 8.8318 117.7192 55.0705 41.7641 175.9399 118 D 4.8300 8.5372 122.1821 51.6904 41.0683 173.9850 119 P 4.5083 0.0000 0.0000 66.0723 31.6284 178.6203 120 K 4.0376 8.0471 116.4577 57.0501 32.0104 176.8703 121 G 3.8842 8.6974 107.8293 47.1554 0.0000 176.5309 122 Q 3.9092 8.5725 120.3263 58.8873 28.8758 178.0815 123 T 4.0188 9.4705 112.2929 64.2307 68.7932 174.8215 124 P 3.6058 0.0000 0.0000 65.0157 31.0885 178.4072 125 R 3.9328 7.4918 118.8003 59.2669 29.8002 178.3622 126 L 4.0584 7.6818 117.4827 57.3311 41.7156 178.0101 127 Y 4.2054 8.2579 114.2665 56.5024 38.4381 175.4353 128 G 3.9722 7.7937 108.1715 46.1868 0.0000 174.7348 129 V 3.6908 8.1513 119.4427 62.7947 31.8589 175.5425 130 K 4.5751 8.5482 125.2226 56.4816 34.2171 176.6938 131 G 3.7348 7.1853 107.6998 44.2844 0.0000 170.6141 *133 P 4.4092 0.0000 0.0000 63.1160 33.4562 176.0544 134 T 5.2962 8.4382 116.0625 61.8710 72.3673 173.2924 135 S 5.0759 9.3577 120.2157 56.4448 66.8616 173.1200 136 F 5.7177 9.2271 120.6587 54.7721 41.7728 173.9846 137 L 4.8402 8.6698 127.1011 54.6565 43.3031 175.5312 138 I 5.0702 9.4417 127.3275 59.5832 40.9499 174.6816 139 D 5.0567 8.4756 123.6726 51.8220 41.8178 177.3374 140 R 4.4641 8.6601 117.2957 58.6808 30.1144 177.4438 141 N 4.5935 8.8075 114.3878 54.2285 39.1323 175.9722 142 G 3.9341 8.1112 105.6397 46.9777 0.0000 176.1689 143 K 4.0987 7.7632 120.7534 56.0635 34.5936 177.6864 144 V 4.1791 8.1039 118.1225 63.1619 31.5343 170.0608 145 L 4.9544 8.7216 126.5623 55.1611 44.3487 176.6030 146 L 4.5800 7.7314 118.6004 53.8718 45.7366 173.9702 147 Q 4.3846 8.6726 125.1896 54.6411 31.5094 173.3989 148 H 4.8999 9.4161 127.7003 54.2676 32.3846 172.7333 149 V 4.5231 8.2589 125.4477 62.2162 33.2067 176.3864 150 G 4.0255 10.7481 114.9054 45.6075 0.0000 172.9038 151 F 4.6557 8.3999 122.7377 57.7506 41.4660 174.0869 152 R 4.6091 9.9828 126.2320 53.3480 33.6014 170.9011 153 P 3.7886 0.0000 0.0000 65.7348 31.4140 177.9012 154 A 4.1226 7.6851 116.9258 53.1654 18.6332 177.8971 155 D 4.3906 8.3230 118.0774 56.0317 41.3370 178.6370 156 K 3.1130 6.6570 118.2611 59.4862 31.9955 178.2129 157 E 3.9655 8.1261 118.1924 59.4463 29.4727 178.4031 158 A 3.9715 7.8805 119.8726 55.2102 18.4078 179.3373 159 L 3.9554 8.2637 117.6847 58.1063 41.7001 179.4548 160 E 3.9680 9.1259 119.5714 59.2338 29.4907 178.9200 161 Q 3.9333 8.4253 118.5571 59.2082 28.6494 178.7970 162 Q 4.1128 8.4736 117.9789 58.7424 28.8707 178.9702 163 I 3.6748 7.8553 121.4173 64.1098 37.0797 177.9248 164 L 3.4660 7.9979 121.3033 58.0920 41.6201 178.8164 165 A 3.9115 8.0727 119.5182 55.1586 18.4100 179.1921 166 A 4.0898 7.5926 117.1658 53.8785 18.4872 177.5487 167 L 4.2494 7.6834 122.2032 54.7835 42.0354 176.2479 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 31 K 8.30 4.38 0.00 1.80 1.90 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.50 7.81 32 G 9.38 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 33 D 7.73 4.15 0.00 2.69 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 34 K 8.39 3.81 0.00 1.74 1.98 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.29 7.81 35 A 8.09 3.81 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 36 P 0.00 4.21 0.00 1.95 1.92 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 37 D 8.39 4.72 0.00 2.61 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 38 F 7.35 4.80 0.00 3.16 3.19 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 39 A 9.03 4.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.97 5.03 0.00 1.71 1.76 0.53 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.67 0.00 2.21 2.24 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 42 G 8.94 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.38 0.00 1.96 2.16 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.37 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.71 7.81 44 T 8.04 4.66 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 1.25 0.00 0.00 45 G 7.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.81 4.49 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 0.97 0.00 0.00 47 V 9.19 4.45 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 48 K 8.30 5.31 0.00 1.81 1.50 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.23 7.81 49 L 7.59 3.64 0.00 0.76 1.22 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.76 4.13 0.00 3.97 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 51 D 8.00 4.47 0.00 2.63 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 52 K 7.85 4.42 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.45 7.81 53 T 7.52 3.92 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 1.22 0.00 0.00 54 G 8.80 3.99 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 0.00 0.00 0.00 55 S 7.47 4.93 0.00 3.78 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 56 V 8.55 4.13 2.32 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 1.27 0.00 0.00 1.03 0.00 0.00 57 V 8.63 4.72 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 0.92 0.00 0.00 0.97 0.00 0.00 58 Y 8.60 4.82 0.00 3.26 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 59 L 8.75 4.48 0.00 1.73 1.64 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.02 4.93 0.00 2.47 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 0.00 0.00 0.00 0.00 61 F 9.17 5.28 0.00 3.16 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 62 W 8.62 5.13 0.00 3.40 3.37 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 63 A 7.78 3.83 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.59 3.73 0.00 3.94 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 65 W 7.21 4.38 0.00 3.48 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.72 4.61 0.00 2.58 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 67 G 9.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.59 0.00 2.33 2.51 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 69 C 8.21 4.95 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 70 R 8.18 4.16 0.00 2.00 2.05 0.00 3.23 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 71 Q 8.08 4.50 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 72 S 7.92 3.07 0.00 3.42 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 73 F 8.21 3.91 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.46 0.00 2.33 2.20 0.00 4.06 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 75 W 7.89 4.05 0.00 3.39 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.87 0.00 3.15 2.99 0.00 0.00 6.64 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 78 Q 7.71 3.97 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 *80 Q 8.21 4.35 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 81 A 8.15 3.92 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 82 K 8.10 3.71 0.00 1.50 1.44 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.97 7.81 83 Y 7.48 4.65 0.00 2.75 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 84 K 8.33 4.40 0.00 1.90 2.00 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.39 7.81 85 A 7.97 4.08 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 86 K 7.71 4.25 0.00 1.95 1.91 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 87 G 8.43 3.92 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 0.00 0.00 0.00 88 F 8.32 5.46 0.00 3.15 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 89 Q 8.72 4.68 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 90 V 8.46 4.09 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 -0.07 0.00 0.00 0.33 0.00 0.00 91 V 8.42 4.48 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 0.94 0.00 0.00 0.88 0.00 0.00 92 A 8.95 4.90 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 93 V 8.77 3.99 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 0.72 0.00 0.00 0.39 0.00 0.00 94 N 8.98 3.45 0.00 1.65 2.18 0.00 0.00 6.61 6.53 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 95 L 7.62 4.80 0.00 1.29 1.61 0.93 0.96 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 96 D 8.18 4.51 0.00 2.69 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 97 A 8.90 4.08 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 98 K 7.85 4.52 0.00 2.03 1.75 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 99 T 8.66 3.84 3.99 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 1.05 0.00 0.00 100 G 8.32 3.85 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 0.00 0.00 0.00 101 D 8.38 4.47 0.00 3.04 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 0.00 102 A 8.12 4.02 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 *104 K 8.12 4.27 0.00 1.99 2.17 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.48 7.81 105 F 8.35 4.07 0.00 3.39 3.43 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 0.00 106 L 8.91 4.13 0.00 1.81 1.85 1.36 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.55 4.18 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 0.00 108 Q 7.63 4.14 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 109 V 7.61 3.91 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 0.00 0.00 0.81 0.00 0.00 0.13 0.00 0.00 110 P 0.00 4.18 0.00 2.15 2.00 0.00 3.68 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 1.95 1.93 0.00 111 A 8.05 3.94 0.58 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 0.00 0.00 112 E 7.98 4.22 0.00 1.93 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 0.00 2.23 2.18 0.00 113 F 6.46 4.94 0.00 3.00 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 0.00 114 T 8.33 4.08 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 1.24 0.00 0.00 115 V 8.47 4.98 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 0.66 0.00 0.00 1.03 0.00 0.00 116 A 8.67 4.95 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 0.00 117 F 8.83 4.85 0.00 2.92 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 0.00 118 D 8.54 4.83 0.00 2.61 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 0.00 0.00 0.00 0.00 119 P 0.00 4.51 0.00 2.22 2.30 0.00 3.95 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 2.01 2.03 0.00 120 K 8.05 4.04 0.00 1.78 1.92 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 121 G 8.70 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 0.00 122 Q 8.57 3.91 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 123 T 9.47 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 124 P 0.00 3.61 0.00 2.09 1.92 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 125 R 7.49 3.93 0.00 1.73 2.17 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 126 L 7.68 4.06 0.00 2.05 1.75 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.26 4.21 0.00 2.78 2.83 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 0.00 128 G 7.79 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 0.00 129 V 8.15 3.69 1.89 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 0.72 0.00 0.00 0.39 0.00 0.00 130 K 8.55 4.58 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.66 7.81 131 G 7.19 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 *133 P 0.00 4.41 0.00 2.27 2.34 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 134 T 8.44 5.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 135 S 9.36 5.08 0.00 2.99 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 0.00 136 F 9.23 5.72 0.00 2.91 3.10 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 0.00 137 L 8.67 4.84 0.00 2.05 1.70 1.29 1.04 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 0.00 138 I 9.44 5.07 1.95 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 1.44 0.96 0.98 0.00 0.00 139 D 8.48 5.06 0.00 2.82 2.83 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 0.00 140 R 8.66 4.46 0.00 1.91 2.08 0.00 3.41 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 141 N 8.81 4.59 0.00 2.83 2.83 0.00 0.00 7.18 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 0.00 142 G 8.11 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 0.00 143 K 7.76 4.10 0.00 2.03 1.86 0.00 1.65 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.63 7.81 144 V 8.10 4.18 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 1.14 0.00 0.00 1.04 0.00 0.00 145 L 8.72 4.95 0.00 1.71 1.72 0.96 1.16 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 0.00 146 L 7.73 4.58 0.00 1.79 1.54 0.98 0.68 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 0.00 147 Q 8.67 4.38 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.46 0.00 0.00 0.00 0.00 0.00 2.04 1.68 0.00 148 H 9.42 4.90 0.00 3.27 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.26 4.52 2.02 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 0.83 0.00 0.00 0.86 0.00 0.00 150 G 10.75 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 0.00 151 F 8.40 4.66 0.00 2.98 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 0.00 152 R 9.98 4.61 0.00 1.72 1.70 0.00 3.36 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 153 P 0.00 3.79 0.00 2.07 2.09 0.00 3.46 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 154 A 7.69 4.12 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 0.00 155 D 8.32 4.39 0.00 1.96 2.34 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 0.00 156 K 6.66 3.11 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.44 1.08 7.81 157 E 8.13 3.97 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 158 A 7.88 3.97 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 0.00 159 L 8.26 3.96 0.00 1.84 1.98 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 160 E 9.13 3.97 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 161 Q 8.43 3.93 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 162 Q 8.47 4.11 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 163 I 7.86 3.67 1.49 0.00 0.00 0.46 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 1.39 -0.28 0.00 0.00 164 L 8.00 3.47 0.00 1.62 1.71 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.07 3.91 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 0.00 166 A 7.59 4.09 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 0.00 167 L 7.68 4.25 0.00 1.60 1.53 0.63 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.