NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2296 8.1593 112.9219 60.8254 69.7731 173.6825 *4 T 4.3181 8.0980 110.7270 62.9264 71.2193 174.3952 5 L 2.9541 7.9199 123.0696 58.1954 41.7823 178.8542 6 N 4.1966 7.8616 116.2003 56.7895 38.7473 176.5661 7 E 3.9816 7.9076 118.8867 59.1256 29.8093 178.8121 8 L 4.1351 8.0938 120.5383 58.2632 42.2498 179.1306 9 L 4.0415 7.9872 118.6125 57.5049 41.2933 179.0308 10 A 4.2058 7.6908 119.4551 54.0605 18.4116 178.5510 11 T 4.1909 7.5676 106.8201 60.6193 70.6325 174.4041 12 N 4.1635 7.8701 118.5876 53.8717 36.1460 172.2655 13 P 4.4805 0.0000 0.0000 62.8675 32.9296 176.7539 14 D 5.1722 8.1661 118.1872 52.4888 39.8854 176.6683 15 G 4.2154 7.7890 110.0490 45.0985 0.0000 173.6847 16 T 4.3751 8.4151 108.8197 61.1266 70.0526 175.7354 17 L 4.2276 8.4440 123.1228 57.4481 41.7090 179.5544 18 E 4.0326 8.1651 118.7790 59.6081 29.4007 178.8358 19 D 4.4810 8.1527 118.3932 57.2726 40.9361 178.9217 20 I 3.8722 7.5006 119.5214 64.1555 37.0043 178.2234 21 A 4.2185 8.3696 121.9710 55.1468 18.2154 179.9880 22 G 3.5421 8.1800 104.2672 47.8252 0.0000 175.8992 23 K 3.9424 8.2669 121.1741 58.5266 32.1407 177.4667 24 Y 4.3459 7.5383 113.8933 56.1554 38.9931 175.2576 25 N 4.1626 8.1798 116.3360 54.4506 36.7836 172.4288 26 T 4.6654 8.0759 110.5892 59.6570 71.2782 173.0630 27 S 4.6041 8.3049 117.3364 57.4812 65.4716 174.6531 28 L 4.0418 8.4498 123.2457 58.2670 41.8495 178.6386 29 F 3.4721 8.6080 120.6826 60.7907 38.9639 176.8875 30 A 3.7212 7.5920 119.2697 55.0243 18.5460 179.5158 31 V 3.5331 7.3840 116.6108 66.1379 31.6456 178.4365 32 V 3.5189 7.6986 118.0395 65.9265 31.1264 177.5785 33 E 3.5870 7.7324 118.0475 58.1680 29.3985 177.5940 34 A 4.3046 7.1426 118.2239 51.2326 19.6281 177.3291 35 L 4.1133 6.8380 117.5965 53.4646 42.5380 175.4550 36 P 4.3654 0.0000 0.0000 62.7763 31.5383 178.0308 37 T 4.1485 8.7651 111.1877 63.6849 68.8568 175.9305 38 A 4.1467 7.9869 123.8235 54.0563 18.7100 177.4328 39 Q 4.8200 8.3964 113.7759 55.8401 31.1144 175.0360 40 C 5.3358 7.9623 119.2391 58.2122 35.7150 172.5712 41 T 4.7264 8.9644 122.0391 61.8544 71.1923 173.0868 42 L 5.3583 8.6917 125.6306 53.4471 44.2194 175.4661 43 A 4.9231 9.0819 122.5005 50.6442 23.4418 176.0069 44 T 4.4512 8.5254 109.1731 60.7236 70.2308 176.3251 45 G 4.3140 8.3079 110.5808 47.5885 0.0000 175.1153 46 D 4.4125 8.0603 118.4313 56.5779 41.5322 177.1232 47 R 4.4956 7.9716 117.2236 56.0473 30.1482 177.3637 48 F 4.1325 8.1476 123.3379 61.9502 39.2840 177.1035 49 D 4.3089 8.2895 117.5827 57.2582 40.5716 178.4130 50 Q 3.9643 8.0487 119.5993 59.1197 29.1790 178.3733 51 V 3.5370 7.9257 119.2234 65.7215 31.6703 177.7299 52 W 3.6915 8.2611 128.3863 60.5275 30.2856 177.4762 53 D 4.5059 8.0509 117.4234 57.7483 40.4539 178.8679 54 T 3.9327 7.5757 115.6930 66.7984 68.4474 176.8971 55 I 2.0000 6.9618 121.1802 63.2802 36.6999 177.7820 56 A 4.0725 7.3404 119.6731 53.4901 18.1759 178.2399 57 T 4.5155 7.4251 107.0790 61.1258 69.6003 174.6850 58 W 4.6861 8.2592 121.2235 56.9852 29.8138 177.6065 59 G 3.8290 7.9813 107.0711 44.0406 0.0000 171.4492 60 E 4.2029 8.6149 120.2915 56.7344 30.2966 177.6758 61 V 4.7205 8.8171 119.1007 60.1204 37.1049 174.0548 62 T 4.9775 8.6826 117.4334 62.0935 70.9568 173.4748 63 L 5.0349 9.0686 129.9974 54.1218 43.9445 175.3936 64 I 5.2577 9.2087 126.4270 59.6473 41.5215 174.0521 65 S 5.0482 9.3385 121.5966 56.8947 64.3799 172.1020 66 H 5.2866 9.0658 127.1044 54.7484 31.8055 172.2305 67 T 4.8263 8.6131 114.9618 59.4365 72.0486 173.8750 68 A 4.1722 8.6746 123.6002 55.1597 18.3926 178.4728 69 D 4.5783 7.9937 113.3742 55.6868 41.8486 176.5005 70 A 4.3988 7.7714 119.6225 51.0384 22.4881 174.8642 71 I 4.8183 8.4226 123.3132 59.6310 39.4303 174.9299 72 L 4.8300 9.0992 128.2315 52.8674 44.1074 175.5817 73 E 5.2839 8.9007 122.6900 54.5343 32.8043 175.3124 74 F 4.5819 9.3404 125.6283 56.5714 42.9829 173.2048 75 K 4.9338 7.8832 126.2874 55.7791 32.9676 175.9853 76 S 4.5915 8.5705 119.0305 57.5778 66.8909 175.1150 77 E 4.6258 8.8211 121.5150 54.9593 30.1347 176.0146 78 L 3.9707 8.3832 129.2203 54.1746 42.5737 174.8084 79 P 4.5005 0.0000 0.0000 62.7639 32.3251 176.0639 80 T 4.6542 8.3743 110.8961 61.9294 70.8252 172.9068 81 G 3.6348 8.3398 108.0363 45.2411 0.0000 171.6325 82 T 4.8164 8.1582 113.4872 60.3429 71.0477 172.2061 83 H 5.3256 8.6974 123.5001 55.0287 30.5790 174.9820 84 R 4.1746 9.3706 118.8462 57.1695 33.5038 174.3217 85 H 4.0760 10.0461 121.2557 56.9449 26.5110 175.7006 86 G 4.0145 8.7586 106.6683 45.2158 0.0000 172.9251 87 Y 4.8805 7.9672 116.5367 55.8950 42.2940 174.7313 88 F 4.9053 9.3757 125.7827 57.2433 40.5964 174.0531 89 N 4.9920 8.9465 125.3836 51.9227 39.9899 174.8192 90 L 4.3524 8.2038 124.4334 54.0168 43.0156 177.1871 91 R 4.4043 8.3606 123.1671 54.3979 29.4324 174.9775 92 G 4.4272 8.1831 112.9404 44.2568 0.0000 171.7293 93 K 4.7288 8.4181 120.0343 54.0880 33.5022 177.2463 94 N 5.0926 8.4695 113.7450 53.9941 40.0233 175.5283 95 G 4.0652 8.7719 108.2051 44.7909 0.0000 173.6333 96 L 4.1591 7.6805 122.0606 52.9599 43.6060 175.2909 97 S 4.6601 8.2751 119.4242 57.5043 65.9222 172.5156 98 G 3.8457 7.2012 105.8721 44.7369 0.0000 170.8568 99 H 5.1923 8.0289 116.4185 54.2013 32.5137 173.2164 100 I 4.4901 8.7295 124.5952 59.1089 39.9363 175.0305 101 R 3.1593 8.4373 127.7371 55.9257 30.3694 176.5095 102 A 3.6377 8.0143 130.3170 55.6863 18.3366 178.4969 103 T 3.9987 7.4530 106.5207 63.5957 68.0412 175.5634 104 S 4.0872 7.7673 117.4225 61.9928 63.2592 173.9082 105 C 4.6634 7.7726 121.6352 59.4715 31.4031 173.0482 106 Q 4.4634 8.9138 126.3071 56.5102 30.5879 175.7358 107 H 5.1664 7.8759 114.5571 54.2295 33.6716 172.4676 108 I 5.0640 9.1932 121.5676 59.5336 41.3413 174.2738 109 A 5.2633 8.8737 127.2702 50.2132 22.7880 174.8471 110 F 4.9392 9.4240 121.0493 56.0045 41.0637 174.7702 111 I 5.1379 9.1757 125.8199 59.4642 39.9521 174.7836 112 E 5.1221 9.3145 127.1261 54.8802 31.5068 175.3148 113 R 4.7424 8.7100 120.3446 54.9270 33.7930 174.4046 114 K 4.6871 8.6156 118.5796 55.8622 33.4272 177.0017 115 F 5.2382 7.7499 122.5697 56.6959 39.9747 174.9902 *117 G 3.6119 7.8862 103.7057 45.2766 0.0000 173.1750 *119 D 4.4662 7.7801 116.6412 54.1363 42.7124 175.7401 120 T 4.9570 8.7860 112.7307 59.9238 73.0232 172.7104 121 A 5.0255 8.4623 123.7043 50.3812 22.2164 175.1461 122 S 4.9344 9.2584 116.7730 56.5326 67.3219 173.2021 123 V 4.3247 8.6222 121.2956 61.1202 33.6565 174.2297 124 V 4.3349 8.4396 128.6634 60.9955 33.7092 174.0836 125 F 4.8610 8.3736 126.3635 55.7759 40.9946 174.6936 126 F 5.2070 9.2036 123.0243 55.7995 42.2834 175.4463 127 N 5.6267 8.8759 119.5755 50.8531 39.6088 175.5619 128 A 3.9603 8.5795 120.5808 55.3825 18.4374 178.3233 129 N 4.4932 8.2194 110.7889 53.9987 39.0803 176.0137 130 G 3.9345 8.5419 107.4158 45.3784 0.0000 173.1178 131 A 4.8207 8.1740 122.3431 50.4343 20.4339 178.0458 132 A 4.4768 8.3967 122.5963 50.5395 20.3350 176.4009 *134 F 4.9249 8.1215 112.2193 57.1898 39.7763 174.0464 135 K 5.2249 9.2777 117.0592 54.8028 36.7878 175.6592 136 I 5.1457 8.7153 122.7862 59.7710 40.5033 174.5199 137 F 5.3010 9.2747 125.8646 55.5096 41.6285 175.5277 138 L 4.5959 8.6701 122.7687 54.8270 42.5913 177.2303 139 G 4.0706 9.2406 109.7487 45.6421 0.0000 172.5959 140 R 5.1964 8.4164 118.0014 54.2681 33.4390 175.1481 141 D 4.9253 8.8552 119.9159 51.6689 41.6654 177.1071 142 S 4.1951 8.5250 112.4431 60.8306 62.7179 174.2529 143 H 4.5828 8.9283 118.5593 55.3223 28.8242 176.1041 144 R 3.9620 8.0547 117.3756 56.8902 28.0829 176.0791 145 Q 4.5608 7.5169 117.7579 54.0111 30.4181 175.3271 146 L 4.3680 8.1508 119.9985 54.4116 42.3201 177.1014 147 L 3.9312 8.6479 122.9389 55.4554 42.0595 178.3273 148 S 4.0417 8.9497 120.6336 61.7381 62.8793 176.6429 149 A 3.9395 7.8866 122.7655 55.1663 18.1417 179.5999 150 Q 3.5139 7.8088 116.1520 58.7506 28.8362 178.5962 151 V 3.4188 7.8896 119.6203 66.0587 31.5072 177.8627 152 D 4.2569 8.1244 118.2901 57.3628 40.6467 178.6826 153 A 3.8799 7.5235 120.8285 54.7667 18.2351 179.4750 154 F 3.9981 7.9765 119.5761 61.6524 39.4947 177.7221 155 R 4.0152 8.5363 117.8076 58.9414 29.8137 178.9642 156 A 3.9191 8.0977 120.7980 54.9664 18.2768 179.4365 157 L 3.7998 8.0643 118.6634 58.1629 41.9976 178.7863 158 A 2.7416 6.9845 119.2030 55.0105 18.4915 179.4479 159 S 4.3085 7.9070 113.6536 61.6592 62.7450 176.5932 160 E 4.1265 7.9245 118.0842 58.2737 29.5981 178.1472 161 L 4.1873 7.3143 118.6627 55.0803 42.3352 176.7542 162 Q 4.3786 7.0248 118.4867 53.8813 29.9106 174.0925 163 P 4.4041 0.0000 0.0000 63.1749 31.3299 176.1987 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 2 T 8.16 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 1.21 0.00 0.00 *4 T 8.10 4.32 4.21 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 0.00 0.00 1.23 0.00 0.00 5 L 7.92 2.95 0.00 0.73 1.31 0.37 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.86 4.20 0.00 2.71 2.74 0.00 0.00 7.20 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 7 E 7.91 3.98 0.00 2.15 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 2.34 2.30 0.00 8 L 8.09 4.14 0.00 1.88 1.82 0.99 0.74 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 9 L 7.99 4.04 0.00 1.69 1.67 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.69 4.21 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 11 T 7.57 4.19 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 1.29 0.00 0.00 12 N 7.87 4.16 0.00 2.90 2.90 0.00 0.00 6.94 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 13 P 0.00 4.48 0.00 2.24 2.10 0.00 3.76 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 2.04 2.00 0.00 14 D 8.17 5.17 0.00 2.88 2.91 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 15 G 7.79 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 0.00 0.00 0.00 16 T 8.42 4.38 4.49 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 1.37 0.00 0.00 17 L 8.44 4.23 0.00 1.77 1.81 0.98 0.99 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 18 E 8.17 4.03 0.00 2.06 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 2.27 2.45 0.00 19 D 8.15 4.48 0.00 2.93 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 20 I 7.50 3.87 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 1.04 0.00 0.00 21 A 8.37 4.22 1.56 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 22 G 8.18 3.54 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 0.00 0.00 0.00 23 K 8.27 3.94 0.00 1.86 2.05 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 1.32 7.81 24 Y 7.54 4.35 0.00 3.16 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 25 N 8.18 4.16 0.00 2.85 2.86 0.00 0.00 6.55 7.16 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 26 T 8.08 4.67 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 S 8.30 4.60 0.00 4.36 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 28 L 8.45 4.04 0.00 1.90 2.19 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.61 3.47 0.00 2.69 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 30 A 7.59 3.72 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 31 V 7.38 3.53 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 0.97 0.00 0.00 1.02 0.00 0.00 32 V 7.70 3.52 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 0.95 0.00 0.00 1.14 0.00 0.00 33 E 7.73 3.59 0.00 1.16 1.60 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 2.07 2.02 0.00 34 A 7.14 4.30 1.21 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 0.00 0.00 0.00 0.00 0.00 35 L 6.84 4.11 0.00 1.73 1.60 0.94 1.09 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 36 P 0.00 4.37 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 37 T 8.77 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 38 A 7.99 4.15 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 39 Q 8.40 4.82 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 40 C 7.96 5.34 0.00 3.00 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 41 T 8.96 4.73 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 1.15 0.00 0.00 42 L 8.69 5.36 0.00 1.57 1.69 0.84 0.80 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 43 A 9.08 4.92 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 44 T 8.53 4.45 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 1.23 0.00 0.00 45 G 8.31 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 0.00 0.00 0.00 0.00 46 D 8.06 4.41 0.00 2.62 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 47 R 7.97 4.50 0.00 1.95 1.96 0.00 3.40 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 48 F 8.15 4.13 0.00 3.32 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 49 D 8.29 4.31 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.05 3.96 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 51 V 7.93 3.54 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 0.90 0.00 0.00 1.10 0.00 0.00 52 W 8.26 3.69 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.05 4.51 0.00 2.81 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 54 T 7.58 3.93 4.21 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 0.00 0.00 1.42 0.00 0.00 55 I 6.96 2.00 1.08 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.06 0.43 0.00 0.00 56 A 7.34 4.07 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 57 T 7.43 4.52 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 1.29 0.00 0.00 58 W 8.26 4.69 0.00 3.42 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 59 G 7.98 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 0.00 0.00 0.00 0.00 60 E 8.61 4.20 0.00 2.01 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 2.30 2.44 0.00 61 V 8.82 4.72 2.30 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 0.86 0.00 0.00 1.00 0.00 0.00 62 T 8.68 4.98 4.38 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 1.26 0.00 0.00 63 L 9.07 5.03 0.00 1.77 1.64 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.21 5.26 2.13 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 1.05 0.00 0.00 65 S 9.34 5.05 0.00 3.94 3.78 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 66 H 9.07 5.29 0.00 3.24 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.61 4.83 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 A 8.67 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.99 4.58 0.00 2.70 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 70 A 7.77 4.40 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.42 4.82 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.58 0.87 0.00 0.00 72 L 9.10 4.83 0.00 1.59 1.61 0.95 0.62 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 73 E 8.90 5.28 0.00 1.82 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 2.20 2.27 0.00 74 F 9.34 4.58 0.00 3.04 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 75 K 7.88 4.93 0.00 1.44 1.63 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.32 7.81 76 S 8.57 4.59 0.00 3.99 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 77 E 8.82 4.63 0.00 2.04 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 2.29 2.16 0.00 78 L 8.38 3.97 0.00 1.29 1.15 0.55 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.50 0.00 2.26 2.07 0.00 3.91 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 2.21 2.19 0.00 80 T 8.37 4.65 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 1.29 0.00 0.00 81 G 8.34 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.16 4.82 4.18 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 1.10 0.00 0.00 83 H 8.70 5.33 0.00 3.15 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.37 4.17 0.00 1.72 1.67 0.00 3.18 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 0.00 85 H 10.05 4.08 0.00 3.39 3.39 0.00 5.76 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 86 G 8.76 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 87 Y 7.97 4.88 0.00 2.97 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 88 F 9.38 4.91 0.00 2.87 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 89 N 8.95 4.99 0.00 2.48 2.63 0.00 0.00 6.67 6.84 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 90 L 8.20 4.35 0.00 1.41 1.49 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.36 4.40 0.00 1.70 1.74 0.00 3.21 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 92 G 8.18 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 0.00 0.00 0.00 0.00 93 K 8.42 4.73 0.00 1.72 1.60 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.00 7.81 94 N 8.47 5.09 0.00 2.74 2.89 0.00 0.00 7.38 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 95 G 8.77 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 0.00 0.00 0.00 0.00 96 L 7.68 4.16 0.00 1.31 1.49 0.69 0.82 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 97 S 8.28 4.66 0.00 3.82 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 98 G 7.20 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 99 H 8.03 5.19 0.00 2.97 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.73 4.49 1.83 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.79 0.00 0.00 101 R 8.44 3.16 0.00 1.41 1.55 0.00 3.06 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.00 102 A 8.01 3.64 1.21 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 0.00 0.00 0.00 0.00 0.00 103 T 7.45 4.00 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 1.09 0.00 0.00 104 S 7.77 4.09 0.00 3.98 3.81 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 0.00 105 C 7.77 4.66 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.91 4.46 0.00 1.67 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0.00 *134 F 8.12 4.92 0.00 3.29 3.32 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 0.00 135 K 9.28 5.22 0.00 1.92 1.57 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.47 7.81 136 I 8.72 5.15 1.97 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 1.29 1.14 0.96 0.00 0.00 137 F 9.27 5.30 0.00 3.02 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 0.00 138 L 8.67 4.60 0.00 1.52 1.74 0.61 0.93 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 0.00 139 G 9.24 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 0.00 0.00 0.00 0.00 140 R 8.42 5.20 0.00 1.77 1.95 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 141 D 8.86 4.93 0.00 2.86 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 0.00 142 S 8.53 4.20 0.00 3.92 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 0.00 143 H 8.93 4.58 0.00 3.33 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.05 3.96 0.00 1.99 2.07 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 145 Q 7.52 4.56 0.00 2.56 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 146 L 8.15 4.37 0.00 1.58 1.53 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.65 3.93 0.00 1.67 1.62 1.01 1.09 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 0.00 148 S 8.95 4.04 0.00 3.83 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 0.00 149 A 7.89 3.94 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 0.00 150 Q 7.81 3.51 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 151 V 7.89 3.42 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 1.05 0.00 0.00 0.81 0.00 0.00 152 D 8.12 4.26 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.52 3.88 0.71 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 0.00 0.00 154 F 7.98 4.00 0.00 2.70 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.54 4.02 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 156 A 8.10 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.06 3.80 0.00 2.05 1.86 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 158 A 6.98 2.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 S 7.91 4.31 0.00 3.97 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 0.00 160 E 7.92 4.13 0.00 2.11 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 2.54 2.30 0.00 161 L 7.31 4.19 0.00 1.65 1.70 0.92 1.32 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 0.00 162 Q 7.02 4.38 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 163 P 0.00 4.40 0.00 2.17 2.03 0.00 3.78 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 1.97 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.