NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6480 8.3649 120.5333 53.9343 42.2654 175.2257 2 L 4.0840 8.3951 124.0394 53.8561 42.5560 174.4410 3 Y 5.0039 8.8162 122.2551 55.8500 42.8742 173.6901 4 F 4.4176 8.0807 124.4299 55.1964 42.0416 174.3824 5 N 4.4996 8.9291 124.1565 51.7323 39.1252 173.6832 6 P 4.3742 0.0000 0.0000 65.7484 31.4480 178.4807 7 R 4.0776 8.1809 117.0412 58.3124 30.0007 177.8016 8 F 4.5781 8.1357 116.2393 59.3670 40.7833 176.3028 9 L 4.0565 8.2526 119.0840 55.6836 39.7908 177.5084 *19 L 4.4969 8.9975 129.1649 54.6775 44.4838 178.4999 20 S 4.2143 8.1547 115.9373 61.4422 62.6204 176.3823 21 R 3.7926 7.8205 119.1921 59.2442 29.0284 178.7235 22 F 4.5976 7.4950 119.6220 59.6140 38.7547 177.2620 23 E 4.4377 8.4096 116.8884 58.3966 29.2796 177.9406 24 N 4.9003 7.7755 114.9790 52.8193 39.0719 175.7022 25 G 4.0974 8.0269 109.5092 45.1525 0.0000 174.7027 26 Q 4.1683 8.3767 119.6448 56.1474 29.3117 176.8051 27 E 4.4233 8.6626 119.7946 57.2926 30.8739 176.5976 28 L 4.7806 7.4276 118.6073 52.4736 45.0785 173.8915 29 P 4.5509 0.0000 0.0000 60.9261 32.7318 173.7325 30 P 4.5791 0.0000 0.0000 62.6819 32.1006 176.4314 31 G 3.7706 7.8829 108.8549 46.9930 0.0000 170.6899 32 T 5.0408 7.6933 116.1963 61.8872 70.2689 174.1136 33 Y 4.8648 8.9169 123.7118 55.9293 42.0887 174.9542 34 R 4.7585 8.8092 123.5823 56.2867 30.7057 175.7546 35 V 4.8843 8.9072 119.3280 59.6590 36.6265 174.3963 36 D 5.2624 9.0000 122.6731 53.6865 42.4646 175.6493 37 I 4.8513 9.0251 125.8767 60.2259 39.0250 174.4537 38 Y 4.9762 9.2266 124.8251 55.9770 41.6017 174.5152 39 L 5.0464 8.5329 124.1951 53.6761 45.2770 176.2687 40 N 4.1284 9.9662 125.4579 54.7481 36.6718 174.1919 41 N 4.4330 8.6671 108.8619 54.0581 36.6059 174.4789 42 G 4.2575 7.9251 107.0500 43.3435 0.0000 172.8562 43 Y 2.9669 8.4552 124.7283 57.7044 39.5218 175.5916 44 M 4.2058 6.8166 124.3676 56.2770 34.8738 175.1321 45 A 4.1650 5.8813 116.8211 52.3089 22.9664 175.1086 46 T 5.0591 8.3396 114.8651 62.6252 71.6949 173.9019 47 R 4.5603 8.5828 122.0200 55.2532 33.5035 173.6239 48 D 5.0879 8.6721 119.6111 54.4084 41.6664 176.5230 49 V 4.4534 9.0149 122.5072 61.4632 35.2595 174.2802 50 T 4.7543 8.4894 124.2389 63.0815 70.3363 173.4082 51 F 5.1539 9.8120 125.0352 55.9209 41.7453 174.5744 52 N 5.3235 8.8676 121.0193 51.2850 41.7851 174.5150 53 T 4.3603 8.5433 117.3112 64.4146 69.1695 173.7704 54 G 3.9629 8.1430 110.9563 45.6689 0.0000 172.7588 55 D 4.5569 8.8246 119.5893 54.5714 40.6106 175.0238 56 S 4.6133 8.0252 118.7307 57.0790 65.0171 176.1735 57 E 3.9815 8.9359 123.8862 59.1433 29.3944 178.0669 58 Q 4.0782 8.0083 117.5733 56.4638 29.3737 177.1129 59 G 4.0517 8.8771 107.2098 44.8784 0.0000 172.8579 60 I 5.2496 7.2624 111.0239 59.3093 41.0672 175.1129 61 V 4.7910 9.1120 116.3408 58.8633 35.7437 173.5339 62 P 3.7741 0.0000 0.0000 62.6113 32.3767 176.3339 63 C 4.7197 8.2783 122.3488 55.0753 45.1436 172.8391 64 L 5.1674 8.1322 126.1052 52.9990 45.4132 177.0278 65 T 4.8241 8.9907 113.0948 59.7879 70.4650 175.8273 66 R 3.8224 8.5963 120.9357 59.6883 29.9584 178.2503 67 A 3.9688 7.9146 119.9351 55.1012 18.1849 179.5003 68 Q 3.9102 7.7960 115.7133 59.1280 29.1263 178.6400 69 L 4.0871 8.0154 119.7257 57.6642 41.6686 179.3511 70 A 4.4270 8.5019 122.5395 54.6984 18.1600 179.8136 71 S 4.1874 8.0381 110.8934 60.9317 63.0824 175.4825 72 M 4.3675 8.5444 120.6127 55.0013 32.5857 175.2040 73 G 3.4259 7.6328 110.3104 44.9788 0.0000 173.8978 74 L 4.2142 7.8675 124.1862 55.0148 42.7774 175.3831 75 N 4.9161 9.1715 125.7747 51.9224 38.0000 175.2110 76 T 3.8304 8.3736 116.4363 64.2462 68.9575 176.5910 77 A 4.1253 8.1526 123.7562 54.1489 18.8276 177.8501 78 S 4.4745 8.2899 109.8229 58.4104 64.1139 173.7117 79 V 4.3316 7.5513 122.2890 60.7647 31.8279 174.7792 80 A 4.1708 8.5906 131.0531 53.6840 18.8639 177.5974 81 G 3.9475 8.9732 110.1721 45.8573 0.0000 175.0627 82 M 4.0933 7.8681 120.1577 58.0561 32.4384 177.9617 83 N 4.4492 8.0625 115.1348 55.2817 37.6199 175.8793 84 L 4.1935 7.4592 117.2199 56.0962 42.0908 177.3771 85 L 4.1363 7.4417 118.2850 54.1703 42.4673 176.7767 86 A 4.3416 8.1977 123.9069 51.5540 19.3882 178.4926 87 D 4.3562 8.7010 119.8451 57.1115 40.9365 177.6069 88 D 4.6860 7.8858 115.0666 52.7467 39.5749 176.2393 89 A 4.0860 7.5809 123.6298 52.3358 18.9334 176.8102 90 C 4.5760 8.4998 119.1789 55.9136 40.4080 174.1416 91 V 3.6787 8.3571 126.6730 62.3795 31.9724 175.4416 92 P 4.5297 0.0000 0.0000 61.0447 29.9221 175.8302 93 L 3.7691 7.7736 127.1271 59.4054 42.5528 179.2196 94 T 4.0193 7.8535 107.4446 63.9501 69.0217 174.8879 95 T 4.2699 7.7105 111.0660 63.3606 70.0869 175.6640 96 M 3.9396 8.3426 121.4769 56.8290 32.6139 175.6040 97 V 3.5430 7.7538 119.2241 60.0782 31.9542 174.0565 98 Q 4.0775 8.2733 128.4402 57.8447 28.8825 176.0310 99 D 4.5108 8.9168 123.2621 55.0404 38.2440 173.7742 100 A 4.6259 7.8161 120.8198 51.9261 19.5477 177.6938 101 T 4.8527 8.9732 109.2995 60.1173 73.0405 172.8016 102 A 5.1581 8.3590 122.9998 51.0646 22.3214 175.2104 103 H 4.8350 9.3725 122.1134 54.5781 33.9592 171.6283 104 L 4.8976 8.6423 128.1012 53.6320 43.3960 175.5091 105 D 4.4811 9.1356 127.9340 53.1080 40.9151 176.8690 106 V 3.4116 8.4563 126.7470 65.7298 31.8555 177.5209 107 G 3.7453 8.1636 107.2360 48.3548 0.0000 174.0422 108 Q 4.2154 8.2904 116.4900 55.1484 29.8178 175.3631 109 Q 3.3298 7.8480 116.9411 57.2818 26.9208 173.3086 110 R 5.0237 7.6632 117.1531 54.5037 33.3136 174.3257 111 L 4.9173 9.2100 130.0540 54.2298 43.4573 175.0319 112 N 5.1688 9.4007 126.1525 52.1876 40.0388 174.3409 113 L 5.4380 9.0947 125.0298 53.1019 44.9025 175.8907 114 T 5.1964 8.8454 112.0203 60.1107 72.2066 172.7861 115 I 4.9218 9.1126 125.4283 58.6916 40.7059 173.8578 116 P 4.4608 0.0000 0.0000 62.5898 32.1488 177.4014 117 Q 3.9675 8.8342 120.0010 59.0479 28.8078 178.9740 118 A 3.8648 7.8065 119.2569 54.2093 18.5808 177.5312 119 F 5.2435 7.9975 112.8277 56.8508 40.4845 175.6210 120 M 4.7247 7.8966 118.9200 54.1311 33.3048 177.2931 121 S 4.5784 8.7124 119.5034 57.2969 60.4847 173.9692 122 N 4.8731 7.7631 113.9929 52.0648 38.1287 175.8323 123 R 3.8571 7.9557 118.4775 56.3083 30.6203 175.9687 124 A 3.9483 8.5779 126.6530 53.0129 18.7405 177.5310 125 R 4.1847 8.4954 121.8503 56.3953 30.4063 175.1132 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 1 D 8.36 4.65 0.00 2.71 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 2 L 8.40 4.08 0.00 1.92 1.50 0.81 0.49 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 3 Y 8.82 5.00 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 4 F 8.08 4.42 0.00 2.94 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 5 N 8.93 4.50 0.00 2.89 2.78 0.00 0.00 7.43 7.71 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 6 P 0.00 4.37 0.00 2.29 2.34 0.00 3.83 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 2.07 0.00 7 R 8.18 4.08 0.00 1.77 1.94 0.00 3.14 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 8 F 8.14 4.58 0.00 3.32 2.99 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 9 L 8.25 4.06 0.00 1.81 1.34 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *19 L 9.00 4.50 0.00 1.84 1.90 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.15 4.21 0.00 4.06 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 21 R 7.82 3.79 0.00 1.78 2.02 0.00 2.21 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 22 F 7.50 4.60 0.00 3.11 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 23 E 8.41 4.44 0.00 2.26 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 2.60 2.87 0.00 24 N 7.78 4.90 0.00 2.86 2.84 0.00 0.00 7.26 7.56 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 25 G 8.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.38 4.17 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 27 E 8.66 4.42 0.00 1.91 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 2.25 2.28 0.00 28 L 7.43 4.78 0.00 1.31 1.24 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.55 0.00 2.26 1.96 0.00 3.98 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 30 P 0.00 4.58 0.00 1.99 2.09 0.00 3.80 0.00 0.00 3.62 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 31 G 7.88 3.77 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 0.00 32 T 7.69 5.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 33 Y 8.92 4.86 0.00 2.92 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 34 R 8.81 4.76 0.00 1.97 1.93 0.00 3.28 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 35 V 8.91 4.88 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 0.82 0.00 0.00 1.18 0.00 0.00 36 D 9.00 5.26 0.00 2.89 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 37 I 9.03 4.85 1.73 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 1.27 0.69 0.88 0.00 0.00 38 Y 9.23 4.98 0.00 2.91 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 39 L 8.53 5.05 0.00 1.71 1.45 1.01 0.56 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 40 N 9.97 4.13 0.00 2.87 2.89 0.00 0.00 7.11 7.89 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 41 N 8.67 4.43 0.00 2.94 2.99 0.00 0.00 6.90 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 42 G 7.93 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 0.00 0.00 0.00 0.00 43 Y 8.46 2.97 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 44 M 6.82 4.21 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 45 A 5.88 4.16 1.06 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 46 T 8.34 5.06 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 1.34 0.00 0.00 47 R 8.58 4.56 0.00 1.91 2.01 0.00 2.81 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 48 D 8.67 5.09 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 49 V 9.01 4.45 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 0.64 0.00 0.00 0.96 0.00 0.00 50 T 8.49 4.75 4.19 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 1.21 0.00 0.00 51 F 9.81 5.15 0.00 3.14 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 52 N 8.87 5.32 0.00 2.63 2.71 0.00 0.00 6.57 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.54 4.36 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 54 G 8.14 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 55 D 8.82 4.56 0.00 2.63 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 56 S 8.03 4.61 0.00 3.86 3.64 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 57 E 8.94 3.98 0.00 2.13 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 0.00 2.32 2.38 0.00 58 Q 8.01 4.08 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 59 G 8.88 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 0.00 0.00 0.00 60 I 7.26 5.25 2.08 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 1.36 0.90 0.95 0.00 0.00 61 V 9.11 4.79 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 0.93 0.00 0.00 62 P 0.00 3.77 0.00 1.68 1.28 0.00 3.69 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 1.85 1.90 0.00 63 C 8.28 4.72 0.00 2.88 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 64 L 8.13 5.17 0.00 1.51 1.43 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.99 4.82 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 1.21 0.00 0.00 66 R 8.60 3.82 0.00 1.87 1.95 0.00 3.17 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 67 A 7.91 3.97 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 68 Q 7.80 3.91 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 69 L 8.02 4.09 0.00 1.81 1.69 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.50 4.43 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 71 S 8.04 4.19 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.54 4.37 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 73 G 7.63 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 0.00 0.00 0.00 74 L 7.87 4.21 0.00 1.74 1.58 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.17 4.92 0.00 2.81 2.91 0.00 0.00 6.71 7.25 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 76 T 8.37 3.83 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 77 A 8.15 4.13 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 78 S 8.29 4.47 0.00 4.12 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 79 V 7.55 4.33 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 0.86 0.00 0.00 0.88 0.00 0.00 80 A 8.59 4.17 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 81 G 8.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.87 4.09 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 83 N 8.06 4.45 0.00 2.85 2.94 0.00 0.00 6.07 7.79 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 84 L 7.46 4.19 0.00 1.82 1.75 0.91 0.81 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 85 L 7.44 4.14 0.00 1.74 1.58 0.89 0.55 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 86 A 8.20 4.34 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 87 D 8.70 4.36 0.00 2.66 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 88 D 7.89 4.69 0.00 2.75 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 89 A 7.58 4.09 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 90 C 8.50 4.58 0.00 2.93 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 91 V 8.36 3.68 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 0.75 0.00 0.00 0.89 0.00 0.00 92 P 0.00 4.53 0.00 2.22 2.17 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 93 L 7.77 3.77 0.00 1.68 1.69 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.85 4.02 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 1.27 0.00 0.00 95 T 7.71 4.27 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 1.19 0.00 0.00 96 M 8.34 3.94 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 97 V 7.75 3.54 1.97 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 0.08 0.00 0.00 0.64 0.00 0.00 98 Q 8.27 4.08 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.32 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 99 D 8.92 4.51 0.00 2.96 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 0.00 100 A 7.82 4.63 1.22 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 0.00 101 T 8.97 4.85 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 1.23 0.00 0.00 102 A 8.36 5.16 1.22 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 0.00 103 H 9.37 4.83 0.00 3.26 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.64 4.90 0.00 1.72 1.53 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 105 D 9.14 4.48 0.00 2.71 2.53 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 0.00 0.00 0.00 0.00 106 V 8.46 3.41 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 0.66 0.00 0.00 0.84 0.00 0.00 107 G 8.16 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 0.00 108 Q 8.29 4.22 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 109 Q 7.85 3.33 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 110 R 7.66 5.02 0.00 1.89 1.73 0.00 2.88 0.00 0.00 2.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 111 L 9.21 4.92 0.00 2.03 1.69 1.09 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.40 5.17 0.00 2.82 2.78 0.00 0.00 6.49 6.70 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 0.00 113 L 9.09 5.44 0.00 1.66 1.56 0.91 0.28 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 0.00 114 T 8.85 5.20 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 1.24 0.00 0.00 115 I 9.11 4.92 1.93 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 1.23 0.69 1.03 0.00 0.00 116 P 0.00 4.46 0.00 2.48 2.07 0.00 3.89 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 2.60 2.23 0.00 117 Q 8.83 3.97 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 118 A 7.81 3.86 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 0.00 119 F 8.00 5.24 0.00 3.01 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 0.00 120 M 7.90 4.72 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 121 S 8.71 4.58 0.00 3.72 3.84 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 0.00 0.00 0.00 122 N 7.76 4.87 0.00 2.77 2.87 0.00 0.00 6.29 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 0.00 123 R 7.96 3.86 0.00 1.78 1.88 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 124 A 8.58 3.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.50 4.18 0.00 1.73 1.76 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.