NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2952 8.1749 115.2440 60.8312 68.5395 173.5916 3 P 4.2090 0.0000 0.0000 61.1968 31.8941 174.2188 4 T 4.7296 8.3955 111.3996 59.7109 72.5116 172.8254 5 L 4.6513 8.1819 122.9986 53.3452 45.2779 174.7150 6 E 4.8969 8.7745 126.4986 54.6589 32.1505 174.4565 7 T 5.3475 8.4377 115.4300 60.0257 72.7731 172.9754 8 K 4.7298 8.8875 120.4809 55.1658 36.2582 174.9531 9 Y 4.2680 8.9414 125.0152 58.6341 38.1915 174.8419 10 V 4.2049 7.8165 125.3076 63.8572 34.3249 174.9129 11 F 4.7760 6.3093 112.0760 56.3072 41.0293 172.4194 12 T 5.1328 8.9939 117.1443 62.1097 70.8785 173.5872 13 I 4.6887 8.9631 127.8056 60.2860 39.3364 174.7638 14 T 4.8263 9.0830 124.5838 61.9302 70.5385 173.1908 15 A 4.8251 8.6452 129.7435 50.2007 21.1645 176.0253 16 R 4.6406 8.7843 123.4008 55.8267 31.4213 175.8082 17 I 4.7704 8.4561 117.3695 59.1977 39.8673 176.4531 18 G 4.1266 8.5035 114.7418 46.2479 0.0000 172.8706 19 D 4.7408 8.6086 122.2523 53.9804 41.9684 176.6962 20 V 3.9936 8.3123 122.3226 63.1997 32.4906 175.1289 21 T 4.6908 8.9650 124.5604 61.7470 71.2734 172.9468 22 S 5.1822 8.7174 120.0706 56.6196 64.4838 173.4349 23 A 4.2770 9.3013 128.0104 52.2898 19.6306 177.2329 24 G 3.6974 7.9955 101.9963 43.9818 0.0000 171.4409 25 E 4.6609 8.3961 119.5474 55.0433 30.4511 176.9109 26 I 4.4978 7.7852 121.3934 60.5524 38.1165 176.4730 27 G 4.3375 8.7612 114.9901 46.9011 0.0000 175.0631 28 T 4.3684 7.3586 111.1487 58.4683 68.0916 173.7991 29 G 4.0929 8.1356 114.7825 46.2312 0.0000 170.1587 30 V 4.2249 8.2183 120.7853 62.3511 32.9306 175.0284 31 R 4.8308 8.7424 129.6229 55.9465 31.0022 175.2643 32 R 5.1938 8.9884 122.4105 54.5129 33.5407 174.2180 33 I 4.9125 9.2386 120.9969 59.6507 41.4339 174.6447 34 I 4.6083 8.4366 126.8650 58.6070 39.9081 173.2652 35 P 4.6650 0.0000 0.0000 62.7266 32.6280 175.5282 36 I 4.5946 8.2983 124.4773 60.2564 38.1689 175.7227 37 L 4.4198 10.6157 126.4204 54.3783 43.5990 177.4897 38 G 3.7526 8.3218 105.5471 44.9849 0.0000 170.5679 39 G 4.1740 7.5034 106.1148 45.0937 0.0000 171.8800 40 E 5.1554 8.3260 116.4923 54.5703 33.8265 174.6581 41 V 4.7336 8.7187 120.2952 61.0373 34.5461 174.1420 42 K 4.9549 8.8457 128.8131 54.7510 35.9218 175.3347 43 G 4.2510 8.6973 112.4272 45.9332 0.0000 171.9316 44 E 4.2149 8.3519 117.0132 57.6248 29.3129 178.2593 45 G 3.9144 8.8624 110.9750 45.8987 0.0000 172.6217 46 I 4.4217 7.6247 121.5612 59.4011 38.9743 174.5876 47 S 4.8071 8.4380 119.7202 56.9840 65.6619 172.8017 48 G 4.3737 9.0930 113.6409 45.7407 0.0000 170.8537 49 Q 5.1626 8.8558 118.6258 53.6652 31.7905 175.8507 50 V 4.2448 8.2968 124.2665 62.6827 32.5370 175.5387 51 L 4.2837 8.9410 128.8759 53.1335 42.2484 175.9011 52 P 4.4616 0.0000 0.0000 60.5680 30.5141 174.4013 53 F 4.6627 7.0855 111.4781 57.1055 40.8814 173.5842 54 G 4.1371 10.4420 106.5267 45.1820 0.0000 171.6816 55 A 4.8070 8.2780 117.3153 50.7251 23.1527 174.7950 56 D 4.9019 8.8369 120.2817 52.9415 42.9746 175.2697 57 F 5.1090 8.9310 125.5745 56.3106 40.2086 175.2719 58 Q 5.0866 9.2418 123.4340 54.0907 32.3328 174.8400 59 I 5.0067 8.4465 121.8214 59.7156 40.5615 174.5902 60 I 4.7087 8.6554 128.5840 59.9014 38.5780 176.2162 61 R 4.4585 8.9376 126.9336 54.8507 30.7811 175.8472 62 P 4.1692 0.0000 0.0000 65.3282 31.3569 177.0516 63 N 4.8129 8.0708 113.0535 52.4914 37.3398 175.4429 64 E 3.9904 8.5751 116.8289 56.6337 28.1460 174.3746 65 L 4.5956 7.6430 120.9359 54.9007 43.6788 175.5189 66 I 4.8847 8.6977 126.1584 59.6162 40.1611 174.3067 67 E 4.8212 9.2183 128.0526 55.4241 30.9950 175.5039 68 L 5.0780 9.0169 124.8725 53.3212 45.2249 175.8638 69 E 5.2565 9.5020 123.2213 55.2604 31.7708 172.0861 70 A 5.3975 9.5513 127.5216 49.7747 21.4616 175.5469 71 K 5.1039 9.0761 121.7199 55.1460 35.6027 174.9520 72 Y 5.3545 8.3610 123.6840 56.9075 41.3176 173.2417 73 A 5.1816 8.5894 118.5287 51.3059 23.1302 175.5307 74 F 5.4113 8.9705 114.0633 54.9832 42.0276 173.3513 75 E 5.1927 9.2043 121.3428 54.6117 32.1546 175.6023 76 T 4.6921 8.8474 118.0527 60.9523 70.2007 175.5165 77 D 4.3235 9.0668 123.3033 56.6394 39.2975 177.4317 78 D 4.4854 8.0126 115.8389 53.7488 39.5032 176.6910 79 G 3.8967 8.2527 108.3831 45.0716 0.0000 173.4831 80 A 4.1046 7.8793 122.7415 51.5743 19.4633 177.0497 81 V 4.4665 8.2318 122.3977 60.9731 33.5697 174.8780 82 V 4.2177 8.0839 128.1861 60.8219 33.9633 173.7993 83 Y 4.7245 8.7340 130.2993 57.4759 40.1531 174.1650 84 V 4.1292 8.4960 126.7092 60.7676 34.4009 173.5674 85 E 4.5883 8.3735 129.7781 54.4975 31.5729 174.1160 86 N 5.2026 9.3030 127.6735 51.9145 41.4388 173.0920 87 V 4.8752 8.1244 127.0121 61.3785 34.5566 174.9131 88 G 4.4407 8.7342 113.9016 45.8182 0.0000 171.3696 89 I 5.3818 8.5895 112.0625 59.0974 41.2139 174.4391 90 R 5.1519 8.8309 124.4244 54.9094 33.2034 173.9698 91 F 5.3920 9.0132 127.0156 57.1514 43.8692 173.2997 92 G 4.0577 6.7654 107.6147 43.6252 0.0000 170.5181 93 P 4.0661 0.0000 0.0000 62.6810 32.3496 177.0135 94 V 3.5390 8.4560 122.1845 66.4594 31.3452 177.7884 95 E 3.9293 8.1969 117.3429 59.7519 29.1002 179.4070 96 L 4.0360 7.7423 116.9854 57.4302 41.8170 179.1152 97 L 4.1010 7.5753 118.1009 57.9361 41.6919 179.2371 98 R 4.2128 7.9239 116.8031 57.8214 30.0323 176.8420 99 K 4.0087 7.7157 120.3919 55.4880 32.3526 177.4506 *103 G 3.7574 8.2788 118.4900 45.3556 0.0000 171.2126 104 E 4.4914 7.6065 116.8072 54.1681 31.6987 175.0957 105 P 4.4302 0.0000 0.0000 62.3962 31.8511 176.2935 106 V 4.3713 8.0312 122.5125 60.4728 34.4045 174.3590 107 D 4.4620 8.5207 125.5262 53.5468 40.8827 175.2538 108 P 4.4346 0.0000 0.0000 65.1973 31.5554 177.7415 109 K 4.4931 8.1416 116.2005 56.3345 31.7993 177.2611 110 V 4.3283 7.3733 117.3993 62.3825 33.3640 175.4018 111 I 4.3657 7.2472 119.7191 60.1504 38.6053 174.9534 112 Y 4.2785 8.8915 128.7290 57.2351 39.8062 174.2786 113 F 5.4084 8.2509 129.7106 57.0635 41.6323 172.6243 114 R 5.1346 9.0284 123.3192 54.3926 34.7627 174.2317 115 T 5.1027 8.9447 111.4118 60.3614 73.3391 172.7025 116 R 4.9557 9.1772 122.6700 53.8734 31.8353 172.2340 117 P 4.6121 0.0000 0.0000 62.0048 32.6784 175.4761 118 R 4.3687 8.4505 123.6968 54.3198 32.8855 174.0047 119 F 5.3837 8.6270 123.9097 55.7224 42.1929 174.5523 120 E 4.8457 9.1341 121.2539 55.0908 32.9905 175.0247 121 T 4.8849 8.5506 119.2091 62.5261 72.6537 174.0330 122 G 3.8933 8.6674 111.1362 45.7531 0.0000 173.6462 123 H 4.2998 7.9692 121.4496 55.1800 30.4364 174.0974 124 P 4.3401 0.0000 0.0000 65.7110 31.2718 176.8430 125 N 4.7287 8.4168 112.4598 54.1181 39.0055 174.7707 126 Y 4.5477 8.2822 115.2353 57.4492 39.4546 177.2174 127 Q 4.1311 8.6087 121.5284 58.7971 28.6536 178.2873 128 W 4.6573 8.5389 114.4425 59.2883 28.3093 178.6327 129 L 4.4534 6.8565 118.2657 54.9898 39.8787 177.8751 *131 Q 4.3220 8.0784 115.9859 55.5439 30.4492 174.5511 132 Y 4.7099 7.6948 114.4651 55.8351 42.0221 174.9037 133 L 4.6099 8.1760 121.0758 54.5823 43.3703 175.9544 134 F 5.3298 8.8094 119.2973 55.7576 43.0480 174.4076 135 V 4.6044 9.1363 121.4010 61.1540 34.6622 174.4293 136 G 4.4328 9.3227 114.7472 44.5640 0.0000 172.1734 137 S 5.0244 9.0806 118.0727 56.1784 64.6515 172.7474 138 A 5.1250 8.4265 128.2956 49.8423 22.1237 174.8367 139 A 4.7797 8.4917 119.7957 50.1997 22.6852 175.0935 140 R 4.7960 8.8248 122.1983 55.0353 32.0676 175.0025 141 H 4.9884 8.8806 122.3859 53.3947 32.0680 174.7297 142 A 4.1756 8.6422 122.7552 54.4709 18.3864 177.9517 143 D 4.9247 7.9116 113.1206 53.0392 41.0102 175.3186 144 R 5.0165 7.5514 114.2788 55.4399 33.3668 173.7872 145 V 4.7301 8.7789 120.8272 61.2173 34.4131 174.3366 146 V 4.5178 8.7173 128.5105 61.6264 33.1766 174.4910 147 I 4.7060 9.1308 130.6826 59.6422 39.4645 174.6518 148 D 5.0600 8.8882 128.5490 53.4496 42.3063 175.7586 149 V 4.6683 8.6356 124.4383 61.3959 33.7881 173.9800 150 H 5.2984 9.2605 125.0303 53.8671 32.1114 172.7588 151 Q 3.8658 8.9512 125.3348 55.5896 30.1114 174.9035 152 V 4.0995 8.5314 127.8581 62.5790 32.3522 175.8062 153 L 4.5203 8.9120 127.4694 54.8944 41.3496 176.4072 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 8.17 4.30 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 1.22 0.00 0.00 3 P 0.00 4.21 0.00 2.17 1.98 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 4 T 8.40 4.73 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 1.28 0.00 0.00 5 L 8.18 4.65 0.00 1.55 1.53 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.77 4.90 0.00 2.07 1.76 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 2.28 2.27 0.00 7 T 8.44 5.35 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 1.22 0.00 0.00 8 K 8.89 4.73 0.00 1.83 1.89 0.00 1.30 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.37 7.81 9 Y 8.94 4.27 0.00 2.92 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 10 V 7.82 4.20 1.94 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 1.54 0.00 0.00 1.07 0.00 0.00 11 F 6.31 4.78 0.00 3.05 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 12 T 8.99 5.13 4.36 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 1.29 0.00 0.00 13 I 8.96 4.69 1.99 0.00 0.00 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 1.23 1.20 1.04 0.00 0.00 14 T 9.08 4.83 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 1.25 0.00 0.00 15 A 8.65 4.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.78 4.64 0.00 1.71 1.82 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 17 I 8.46 4.77 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.84 0.00 0.00 18 G 8.50 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 19 D 8.61 4.74 0.00 2.57 2.60 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 20 V 8.31 3.99 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 0.76 0.00 0.00 0.91 0.00 0.00 21 T 8.96 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 S 8.72 5.18 0.00 3.85 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 23 A 9.30 4.28 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 24 G 8.00 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 25 E 8.40 4.66 0.00 1.94 1.87 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 2.25 2.29 0.00 26 I 7.79 4.50 1.88 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 1.40 0.87 0.97 0.00 0.00 27 G 8.76 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 0.00 0.00 0.00 0.00 28 T 7.36 4.37 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 29 G 8.14 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 30 V 8.22 4.22 2.09 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 1.06 0.00 0.00 0.94 0.00 0.00 31 R 8.74 4.83 0.00 2.04 1.83 0.00 3.30 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 32 R 8.99 5.19 0.00 1.98 1.97 0.00 2.77 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 33 I 9.24 4.91 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.40 0.00 0.00 34 I 8.44 4.61 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.86 0.00 0.00 35 P 0.00 4.66 0.00 2.04 1.95 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 36 I 8.30 4.59 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.38 0.65 0.00 0.00 37 L 10.62 4.42 0.00 1.49 1.65 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.32 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 39 G 7.50 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 40 E 8.33 5.16 0.00 1.95 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 2.22 2.25 0.00 41 V 8.72 4.73 1.51 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 0.20 0.00 0.00 0.24 0.00 0.00 42 K 8.85 4.95 0.00 1.82 1.61 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.37 7.81 43 G 8.70 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 0.00 0.00 0.00 44 E 8.35 4.21 0.00 2.01 1.94 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 2.41 2.44 0.00 45 G 8.86 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 I 7.62 4.42 1.84 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 0.62 0.00 0.00 47 S 8.44 4.81 0.00 3.83 3.65 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 48 G 9.09 4.37 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 0.00 49 Q 8.86 5.16 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 50 V 8.30 4.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 51 L 8.94 4.28 0.00 0.86 1.41 1.03 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 52 P 0.00 4.46 0.00 2.23 2.11 0.00 3.44 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 53 F 7.09 4.66 0.00 3.12 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 54 G 10.44 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 4.81 0.65 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 0.00 0.00 56 D 8.84 4.90 0.00 2.68 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 57 F 8.93 5.11 0.00 3.04 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 58 Q 9.24 5.09 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 59 I 8.45 5.01 2.04 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 1.27 1.16 0.92 0.00 0.00 60 I 8.66 4.71 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.92 0.00 0.00 61 R 8.94 4.46 0.00 1.93 1.80 0.00 3.04 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 62 P 0.00 4.17 0.00 2.03 2.15 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 63 N 8.07 4.81 0.00 2.89 2.89 0.00 0.00 6.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.58 3.99 0.00 2.30 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 0.00 2.25 2.41 0.00 65 L 7.64 4.60 0.00 1.27 1.44 0.12 0.77 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 66 I 8.70 4.88 1.81 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 1.23 0.59 0.87 0.00 0.00 67 E 9.22 4.82 0.00 1.92 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 2.28 2.27 0.00 68 L 9.02 5.08 0.00 1.64 1.77 1.16 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 69 E 9.50 5.26 0.00 2.10 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 2.31 2.33 0.00 70 A 9.55 5.40 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.08 5.10 0.00 1.98 2.01 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 72 Y 8.36 5.35 0.00 2.97 3.03 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 73 A 8.59 5.18 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 74 F 8.97 5.41 0.00 3.07 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 75 E 9.20 5.19 0.00 2.01 1.81 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 2.16 2.27 0.00 76 T 8.85 4.69 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 0.94 0.00 0.00 77 D 9.07 4.32 0.00 2.76 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 78 D 8.01 4.49 0.00 2.88 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 79 G 8.25 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 80 A 7.88 4.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.23 4.47 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 0.77 0.00 0.00 0.90 0.00 0.00 82 V 8.08 4.22 0.67 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 0.56 0.00 0.00 0.22 0.00 0.00 83 Y 8.73 4.72 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.50 4.13 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 0.00 0.00 0.36 0.00 0.00 0.98 0.00 0.00 85 E 8.37 4.59 0.00 1.57 1.52 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 2.14 2.15 0.00 86 N 9.30 5.20 0.00 2.75 2.76 0.00 0.00 6.24 7.74 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 87 V 8.12 4.88 2.09 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 0.96 0.00 0.00 0.94 0.00 0.00 88 G 8.73 4.44 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 0.00 0.00 0.00 89 I 8.59 5.38 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.96 0.00 0.00 90 R 8.83 5.15 0.00 0.98 1.45 0.00 2.78 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 91 F 9.01 5.39 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 6.77 4.06 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 0.00 0.00 0.00 93 P 0.00 4.07 0.00 2.10 1.94 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 94 V 8.46 3.54 2.05 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 1.13 0.00 0.00 0.95 0.00 0.00 95 E 8.20 3.93 0.00 1.99 1.98 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 2.39 2.35 0.00 96 L 7.74 4.04 0.00 1.68 1.70 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.58 4.10 0.00 1.78 1.72 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.92 4.21 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 99 K 7.72 4.01 0.00 1.92 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.37 7.81 *103 G 8.28 3.76 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 0.00 0.00 0.00 104 E 7.61 4.49 0.00 1.96 1.88 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 2.26 2.31 0.00 105 P 0.00 4.43 0.00 2.05 2.02 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 106 V 8.03 4.37 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 0.80 0.00 0.00 1.04 0.00 0.00 107 D 8.52 4.46 0.00 2.80 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 0.00 108 P 0.00 4.43 0.00 2.23 2.11 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 109 K 8.14 4.49 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 110 V 7.37 4.33 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 0.79 0.00 0.00 0.93 0.00 0.00 111 I 7.25 4.37 1.94 0.00 0.00 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 1.13 0.98 1.03 0.00 0.00 112 Y 8.89 4.28 0.00 3.21 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 0.00 113 F 8.25 5.41 0.00 2.98 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 0.00 114 R 9.03 5.13 0.00 1.64 1.72 0.00 3.12 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 115 T 8.94 5.10 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 1.24 0.00 0.00 116 R 9.18 4.96 0.00 1.84 1.83 0.00 3.10 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 117 P 0.00 4.61 0.00 1.34 1.94 0.00 3.91 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 1.98 1.95 0.00 118 R 8.45 4.37 0.00 1.70 1.55 0.00 3.00 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 119 F 8.63 5.38 0.00 2.95 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 0.00 120 E 9.13 4.85 0.00 2.14 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 2.36 0.00 121 T 8.55 4.88 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 1.16 0.00 0.00 122 G 8.67 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 0.00 123 H 7.97 4.30 0.00 3.29 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.34 0.00 2.09 2.13 0.00 3.34 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 1.98 2.10 0.00 125 N 8.42 4.73 0.00 2.81 2.66 0.00 0.00 6.68 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.28 4.55 0.00 3.00 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 0.00 127 Q 8.61 4.13 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 128 W 8.54 4.66 0.00 3.83 3.47 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 0.00 0.00 0.00 0.00 129 L 6.86 4.45 0.00 1.56 1.52 -0.63 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 *131 Q 8.08 4.32 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.72 0.00 132 Y 7.69 4.71 0.00 2.59 2.49 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 0.00 133 L 8.18 4.61 0.00 1.65 1.57 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.81 5.33 0.00 3.12 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 0.00 135 V 9.14 4.60 2.13 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 1.08 0.00 0.00 0.97 0.00 0.00 136 G 9.32 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 0.00 137 S 9.08 5.02 0.00 3.78 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 0.00 138 A 8.43 5.12 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 0.00 139 A 8.49 4.78 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 0.00 140 R 8.82 4.80 0.00 1.91 1.83 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 141 H 8.88 4.99 0.00 3.20 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.64 4.18 1.29 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 0.00 0.00 143 D 7.91 4.92 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.55 5.02 0.00 2.04 2.01 0.00 2.71 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 145 V 8.78 4.73 2.09 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 1.12 0.00 0.00 1.02 0.00 0.00 146 V 8.72 4.52 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 0.91 0.00 0.00 0.99 0.00 0.00 147 I 9.13 4.71 1.89 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 1.06 0.43 0.85 0.00 0.00 148 D 8.89 5.06 0.00 2.79 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 0.00 149 V 8.64 4.67 1.11 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 0.89 0.00 0.00 0.86 0.00 0.00 150 H 9.26 5.30 0.00 3.17 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.95 3.87 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 1.94 1.49 0.00 152 V 8.53 4.10 2.15 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 0.81 0.00 0.00 0.93 0.00 0.00 153 L 8.91 4.52 0.00 1.53 1.59 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.