NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3221 8.2649 123.5847 51.9046 19.9759 175.6306 11 L 4.5549 8.1208 119.2110 53.4430 43.1048 175.2014 12 L 4.7277 9.3073 123.1695 54.4427 43.9545 175.9719 13 T 4.5335 8.7383 117.4393 60.8308 68.5685 173.6246 14 P 4.8219 0.0000 0.0000 66.0191 31.7289 178.8430 15 G 3.8085 8.0989 103.7881 48.1299 0.0000 175.0352 16 E 3.9387 8.3442 121.2080 59.3025 29.5882 179.3808 17 V 3.5756 8.0175 117.4923 66.4179 31.3361 178.1903 18 A 4.1622 8.0385 122.5882 55.4280 17.9716 180.4882 19 K 3.9641 8.1416 121.8893 60.0139 32.0590 181.6455 20 R 4.3370 7.9534 116.7333 57.7771 30.2169 177.9560 21 S 4.6364 7.9097 113.7792 57.7824 64.0373 174.7008 22 G 3.8784 8.4937 108.5493 46.4347 0.0000 173.3704 23 V 4.4871 7.4973 110.1796 58.1637 35.4503 176.2761 24 A 4.1759 8.1530 123.2812 52.0021 20.2322 179.2101 25 V 3.5373 8.2086 120.8477 66.1052 31.6492 178.8839 26 S 3.9839 7.9600 114.3926 61.1866 62.5862 176.2849 27 A 3.7413 7.6290 123.2059 54.9820 18.1874 179.5130 28 L 3.9455 7.6918 117.5110 58.1236 41.6983 179.2957 29 H 4.3097 8.4143 116.4076 58.9425 28.6143 177.5141 30 F 4.3109 8.3429 122.1561 61.7411 39.1938 176.6084 31 Y 4.2307 8.0817 116.7073 61.2421 37.5749 178.5213 32 E 4.1841 8.7557 121.7452 58.7814 29.5574 179.0440 33 S 4.1633 7.9657 113.4607 60.9031 63.1421 175.6013 34 K 4.2635 7.8509 119.9910 54.9508 32.2585 176.6603 35 G 3.9632 7.9533 107.2267 46.9891 0.0000 174.7207 36 L 4.6846 8.6097 119.1345 54.4077 43.0593 176.9183 37 I 4.6152 7.3734 110.8395 59.4333 40.7098 173.8229 38 T 4.6190 8.2436 116.7490 61.8606 71.4472 173.0026 39 S 4.8406 8.3214 116.8893 56.7592 66.4773 172.8781 40 I 4.6753 7.8434 120.6717 59.6916 41.3602 174.6743 41 R 4.9669 8.5434 125.3924 54.9344 32.0020 176.4566 42 N 4.6842 9.0479 121.3237 51.4851 39.3804 175.4447 43 S 4.2092 8.7173 112.0946 60.6695 62.5965 174.6203 44 G 4.0598 7.6597 108.7106 45.7464 0.0000 173.5939 45 N 4.1059 8.1506 114.9257 53.8432 39.1992 173.8300 46 Q 4.2642 7.8436 116.3554 56.4740 29.9105 176.0838 47 R 4.4376 8.4167 121.6435 56.4345 30.9166 176.2905 48 R 4.5826 8.7412 120.3652 54.8713 34.6559 173.7853 49 Y 4.8095 9.2869 121.9720 56.0232 41.2654 175.2823 50 K 4.4769 9.3784 124.2056 57.3000 32.6092 179.3336 51 R 3.6766 8.2066 127.4390 58.6342 31.0050 178.3008 52 D 4.3002 8.2839 116.2736 57.5537 40.9971 178.7383 53 V 3.9159 8.8138 120.5923 65.1188 31.0535 178.2193 54 L 3.9837 8.6020 119.7083 57.8813 41.5036 179.7919 55 R 3.8641 7.9512 117.7171 59.2912 29.8337 178.7192 56 Y 4.0750 7.7596 115.9522 61.1042 37.9833 178.3070 57 V 3.6526 8.2689 119.1230 66.2741 31.5742 177.6341 58 A 4.0487 8.1455 120.1362 55.6181 18.1737 179.7618 59 I 4.0523 8.0795 118.0848 64.5965 37.2417 178.6342 60 I 3.6943 8.6194 121.4484 64.4656 36.8196 178.6717 61 K 4.0378 8.3719 119.3656 59.3948 31.8614 179.5997 62 I 3.7358 7.9932 120.0515 64.2704 37.0412 178.2337 63 A 3.0281 8.3646 122.0205 54.8207 17.9651 179.7664 64 Q 3.9098 7.8619 116.3958 59.1691 28.5997 178.9356 65 R 3.8906 7.8460 117.9036 59.5937 30.2423 178.9750 66 I 3.8193 7.4791 117.9936 62.7408 36.9434 177.1880 67 G 3.8983 8.2345 107.7692 45.3061 0.0000 172.9867 68 I 4.0452 7.1710 120.3240 59.0869 38.1956 174.8231 69 P 4.4086 0.0000 0.0000 62.1778 33.3236 177.0764 70 L 3.7579 8.5789 121.0453 58.2303 41.6283 179.4932 71 A 3.9435 8.0672 119.6948 55.9156 18.3159 179.7395 72 T 3.9342 7.7867 113.3147 66.7957 68.3274 176.9197 73 I 3.7972 7.6480 121.2649 63.8371 37.2596 178.3326 74 G 3.6489 8.0105 106.9740 47.4842 0.0000 175.7097 75 E 4.0906 8.4970 119.8725 58.3795 29.4692 178.2924 76 A 4.5861 7.5338 118.7979 53.2700 20.0498 178.4866 77 F 4.7163 8.1823 115.0122 56.4099 39.3948 177.9511 78 G 3.9270 9.4663 108.7901 45.9960 0.0000 175.1633 79 V 4.2863 8.8212 123.5025 63.7746 34.5981 175.0700 *85 T 4.1906 7.7748 110.4611 60.2833 69.9716 177.9506 86 L 4.5655 7.3601 125.4989 54.2412 43.0996 176.9070 87 S 4.5782 8.2786 122.1117 57.5293 66.4904 174.0247 88 A 4.3231 8.4615 124.1270 55.4831 18.4540 180.5103 89 K 3.9983 8.0772 124.2574 60.5953 31.9377 181.5723 90 E 4.1092 8.4253 120.3692 60.9627 29.4738 180.5995 91 W 4.5775 7.9616 130.0951 61.2604 30.5663 178.9992 92 K 3.7251 8.0843 125.2333 60.0364 31.1707 181.6951 93 Q 4.0497 8.0850 121.2870 60.7595 28.0907 181.2268 94 L 3.4889 8.1136 122.4396 56.1635 41.4547 179.5524 95 S 3.4665 7.1529 114.3627 61.4196 62.7429 176.9872 96 S 3.8988 7.2982 118.3091 60.9782 62.5097 176.0335 97 Q 3.9021 7.5901 123.6344 57.9226 28.4724 178.2823 98 W 4.7571 7.7523 119.1195 58.6113 30.1027 178.3676 99 R 4.0173 8.5569 118.8578 58.9564 29.3709 178.3241 100 E 4.0221 8.3942 119.5171 59.3445 29.7795 178.3358 101 E 3.9762 7.7119 118.4936 59.4936 29.4369 179.1713 102 L 4.0958 8.3911 120.5066 57.8414 41.8627 178.5578 103 D 4.3912 7.7200 119.2298 57.6336 41.3977 178.6808 104 R 3.9792 8.3689 121.4423 61.6634 29.3893 180.2968 105 R 4.0908 8.5048 119.8712 59.4768 29.9267 178.4482 106 I 3.6697 7.3363 119.1123 64.8647 37.0504 178.0400 107 H 4.1992 8.3497 117.0744 59.1781 28.5966 177.9511 108 T 3.8662 8.0716 117.3589 66.8050 68.3765 176.7079 109 L 4.0315 7.9626 120.7704 57.7474 41.5876 179.8528 110 V 3.6072 8.2261 118.5667 65.6045 31.3569 177.7981 111 A 3.9459 8.2550 120.9156 55.2102 18.0162 178.8960 112 L 3.8379 7.6752 118.1311 58.7536 42.1059 178.9965 113 R 3.6928 8.0708 118.1517 59.7617 29.7966 178.2233 114 D 4.2789 8.0170 118.3317 57.3158 41.0854 178.1218 115 E 3.9214 8.3540 119.3442 59.6079 29.4174 179.1843 116 L 3.9325 8.8606 120.9291 58.6214 41.8774 178.7807 117 D 4.5786 7.9990 117.2748 57.2473 40.9697 178.9685 118 G 3.7255 7.9452 105.8534 47.9899 0.0000 175.2835 119 C 4.3539 7.9593 117.6476 60.9759 27.8438 175.8953 120 I 3.7557 7.3797 120.7254 63.7636 36.8402 177.0678 121 G 3.9812 7.5859 106.2584 45.4455 0.0000 173.1321 122 C 4.0302 8.2603 120.3363 58.3351 30.7008 174.3582 123 G 4.0399 9.4628 104.5264 45.3454 0.0000 174.3984 124 C 4.1683 7.9747 115.3685 59.7072 30.1414 174.1480 125 L 3.5669 8.0650 120.1825 55.7826 39.1018 175.9090 126 S 4.1734 7.8300 114.3779 57.9773 62.6674 176.3212 127 R 3.8882 8.4893 129.5782 59.7861 30.2071 178.6295 128 S 4.3568 7.7870 111.8639 58.3778 61.9532 177.0713 129 D 4.7201 8.0970 116.5269 55.7564 45.4076 174.7627 130 C 4.8063 7.8904 120.4503 56.6700 33.8082 172.3317 131 P 4.3280 0.0000 0.0000 65.9404 31.3448 179.0401 132 L 3.8643 7.5855 117.1327 57.8528 42.0763 179.0471 133 R 4.1959 7.9241 116.5236 58.0807 30.4937 177.1152 134 N 4.7614 7.3305 117.3176 49.7383 36.2047 173.0326 135 P 4.3949 0.0000 0.0000 63.9009 31.1343 177.0792 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 10 A 8.26 4.32 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 11 L 8.12 4.55 0.00 1.63 1.61 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.31 4.73 0.00 1.74 1.69 1.01 0.64 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 13 T 8.74 4.53 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 1.29 0.00 0.00 14 P 0.00 4.82 0.00 2.19 2.39 0.00 3.82 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 2.12 2.33 0.00 15 G 8.10 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 0.00 0.00 0.00 16 E 8.34 3.94 0.00 2.21 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 0.00 2.44 2.43 0.00 17 V 8.02 3.58 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 1.05 0.00 0.00 18 A 8.04 4.16 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 19 K 8.14 3.96 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 20 R 7.95 4.34 0.00 1.78 2.02 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 21 S 7.91 4.64 0.00 3.94 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 22 G 8.49 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 23 V 7.50 4.49 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 0.88 0.00 0.00 0.96 0.00 0.00 24 A 8.15 4.18 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 25 V 8.21 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 26 S 7.96 3.98 0.00 3.83 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 27 A 7.63 3.74 1.13 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 28 L 7.69 3.95 0.00 1.89 1.71 0.76 1.12 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 29 H 8.41 4.31 0.00 3.39 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.34 4.31 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 31 Y 8.08 4.23 0.00 3.17 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 32 E 8.76 4.18 0.00 2.28 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 2.36 2.43 0.00 33 S 7.97 4.16 0.00 4.11 4.12 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 34 K 7.85 4.26 0.00 1.45 1.66 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.65 0.88 7.81 35 G 7.95 3.96 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 0.00 0.00 0.00 36 L 8.61 4.68 0.00 1.53 1.67 0.65 0.38 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 37 I 7.37 4.62 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 1.00 0.00 0.00 38 T 8.24 4.62 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 39 S 8.32 4.84 0.00 3.96 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 40 I 7.84 4.68 1.93 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 1.20 0.43 0.86 0.00 0.00 41 R 8.54 4.97 0.00 1.65 1.81 0.00 3.55 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 42 N 9.05 4.68 0.00 2.79 2.94 0.00 0.00 6.39 7.08 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 43 S 8.72 4.21 0.00 3.84 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 44 G 7.66 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 45 N 8.15 4.11 0.00 2.85 2.88 0.00 0.00 7.06 6.35 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 46 Q 7.84 4.26 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 47 R 8.42 4.44 0.00 1.48 1.27 0.00 3.31 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 48 R 8.74 4.58 0.00 1.61 1.68 0.00 3.23 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 49 Y 9.29 4.81 0.00 2.97 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 50 K 9.38 4.48 0.00 1.93 1.81 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 51 R 8.21 3.68 0.00 1.94 2.00 0.00 3.40 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 52 D 8.28 4.30 0.00 2.87 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 53 V 8.81 3.92 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 0.85 0.00 0.00 0.91 0.00 0.00 54 L 8.60 3.98 0.00 1.77 1.77 0.93 1.14 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 55 R 7.95 3.86 0.00 1.72 1.69 0.00 2.99 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 1.50 1.56 0.00 56 Y 7.76 4.07 0.00 3.27 3.14 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 57 V 8.27 3.65 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 1.20 0.00 0.00 1.11 0.00 0.00 58 A 8.15 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 4.05 2.45 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.84 1.63 0.00 0.00 60 I 8.62 3.69 1.93 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.50 0.00 0.00 61 K 8.37 4.04 0.00 2.00 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.69 7.81 62 I 7.99 3.74 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 1.11 0.00 0.00 63 A 8.36 3.03 0.28 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 64 Q 7.86 3.91 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 65 R 7.85 3.89 0.00 2.01 1.99 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 66 I 7.48 3.82 1.70 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 1.55 0.53 0.83 0.00 0.00 67 G 8.23 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 68 I 7.17 4.05 1.47 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.27 0.64 0.00 0.00 69 P 0.00 4.41 0.00 2.22 2.13 0.00 3.61 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 2.00 2.00 0.00 70 L 8.58 3.76 0.00 1.71 1.72 1.25 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.07 3.94 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 72 T 7.79 3.93 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 I 7.65 3.80 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.39 0.23 0.00 0.00 74 G 8.01 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 0.00 0.00 0.00 75 E 8.50 4.09 0.00 2.06 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 2.36 2.34 0.00 76 A 7.53 4.59 1.55 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 0.00 0.00 77 F 8.18 4.72 0.00 3.11 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 78 G 9.47 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 79 V 8.82 4.29 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 0.81 0.00 0.00 0.95 0.00 0.00 *85 T 7.77 4.19 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 86 L 7.36 4.57 0.00 1.52 1.42 0.80 0.49 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 87 S 8.28 4.58 0.00 4.09 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 88 A 8.46 4.32 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 89 K 8.08 4.00 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 90 E 8.43 4.11 0.00 1.94 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 2.25 2.21 0.00 91 W 7.96 4.58 0.00 3.37 3.28 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 92 K 8.08 3.73 0.00 1.79 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 93 Q 8.09 4.05 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 94 L 8.11 3.49 0.00 0.99 0.13 0.95 0.83 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 95 S 7.15 3.47 0.00 3.31 2.63 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 96 S 7.30 3.90 0.00 3.92 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 97 Q 7.59 3.90 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 98 W 7.75 4.76 0.00 3.49 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.56 4.02 0.00 1.87 2.17 0.00 3.15 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 100 E 8.39 4.02 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 101 E 7.71 3.98 0.00 2.10 1.99 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 2.38 2.55 0.00 102 L 8.39 4.10 0.00 1.85 1.84 0.92 0.99 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 0.00 103 D 7.72 4.39 0.00 3.12 2.74 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 0.00 104 R 8.37 3.98 0.00 1.80 1.95 0.00 3.35 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 105 R 8.50 4.09 0.00 2.02 1.96 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 106 I 7.34 3.67 1.95 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 1.50 0.76 0.84 0.00 0.00 107 H 8.35 4.20 0.00 3.34 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.07 3.87 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 1.21 0.00 0.00 109 L 7.96 4.03 0.00 1.91 1.71 1.03 0.65 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 0.00 110 V 8.23 3.61 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 1.03 0.00 0.00 1.02 0.00 0.00 111 A 8.25 3.95 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 0.00 112 L 7.68 3.84 0.00 2.00 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.07 3.69 0.00 2.07 2.07 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 114 D 8.02 4.28 0.00 2.95 2.69 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 0.00 0.00 0.00 0.00 115 E 8.35 3.92 0.00 2.14 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 0.00 2.34 2.58 0.00 116 L 8.86 3.93 0.00 1.76 1.80 0.92 1.26 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 0.00 117 D 8.00 4.58 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.95 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 0.00 119 C 7.96 4.35 0.00 3.13 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 0.00 120 I 7.38 3.76 1.87 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 0.75 0.91 0.00 0.00 121 G 7.59 3.98 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 0.00 0.00 0.00 122 C 8.26 4.03 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.46 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 7.97 4.17 0.00 3.09 3.07 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 0.00 125 L 8.06 3.57 0.00 1.78 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.83 4.17 0.00 3.65 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 0.00 127 R 8.49 3.89 0.00 1.83 1.88 0.00 3.14 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 128 S 7.79 4.36 0.00 3.67 3.72 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 0.00 129 D 8.10 4.72 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 0.00 130 C 7.89 4.81 0.00 2.94 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 0.00 131 P 0.00 4.33 0.00 2.21 2.28 0.00 3.68 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 2.11 2.11 0.00 132 L 7.59 3.86 0.00 1.62 1.74 0.94 0.89 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 0.00 133 R 7.92 4.20 0.00 1.81 1.97 0.00 3.14 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 134 N 7.33 4.76 0.00 2.79 2.83 0.00 0.00 7.08 7.60 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 0.00 135 P 0.00 4.39 0.00 2.20 2.09 0.00 3.79 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.