NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.5460 8.1648 122.9783 51.9400 18.9431 174.2502 *2 I 4.0704 7.6672 119.2615 61.1334 38.4703 176.0776 3 V 4.1039 8.6779 119.0187 62.7119 32.6797 176.4949 4 G 4.6850 7.5264 104.5825 46.1728 0.0000 172.1972 5 L 5.2783 8.5006 122.8907 53.1701 45.3929 175.6881 6 G 4.3153 9.0408 111.6325 45.1748 0.0000 171.2370 7 T 5.2594 8.2370 115.4656 60.7869 71.0259 172.2482 8 D 4.7416 8.8459 124.2333 53.1668 45.2272 173.6734 9 I 5.0823 8.4967 124.4411 59.1644 40.9385 174.1934 10 A 4.9286 9.3842 129.9791 50.0379 22.6117 174.8423 11 E 4.5274 8.8686 122.7313 55.4239 30.2909 177.3265 12 I 3.7216 8.5139 128.7281 64.4869 37.0756 178.0984 13 E 4.0651 8.0609 119.6216 59.2791 29.4311 178.9660 14 R 3.8502 7.7525 118.5275 58.9988 30.0721 179.1664 15 V 3.5931 7.6401 117.6747 65.9719 31.6569 177.7862 16 E 4.0369 8.4291 118.5410 59.4006 29.1698 179.4765 17 K 3.9421 8.3225 118.4755 59.4298 32.0652 179.2599 18 A 3.8323 7.9394 121.0251 55.0559 18.1562 179.7305 19 L 4.1848 8.2083 117.3991 57.8933 41.4889 179.5562 20 A 4.0852 8.0132 119.9176 54.4571 18.2810 179.2809 21 R 4.2502 7.4711 115.5962 58.2393 31.1002 178.2360 22 S 4.7129 8.5417 112.7700 56.2148 64.8667 176.0899 23 G 3.9740 8.6788 111.1484 45.9870 0.0000 176.2512 24 E 4.0379 9.0070 124.4529 58.9995 28.9511 177.6019 25 N 4.3958 7.8036 116.0625 56.1750 38.7930 176.8760 26 F 4.5063 8.1968 121.1803 61.3805 39.6376 176.9430 27 A 3.3094 7.8704 120.3538 55.1115 17.8366 179.8722 28 R 3.7885 8.1795 115.7680 58.9965 30.1155 178.9720 29 R 4.0392 7.5003 118.0284 59.3731 30.1585 178.2428 30 I 3.4798 7.3004 118.1629 62.2286 37.6912 176.0764 31 L 4.8955 7.2308 118.6348 52.8753 43.6827 177.1002 32 T 3.9954 8.8618 113.4007 61.2831 70.6862 175.5109 33 D 4.3157 8.4629 121.7435 57.7260 41.0977 178.7783 34 S 4.2492 8.0108 112.9515 61.5857 62.4825 176.0027 35 E 4.2279 8.1017 120.7043 59.1991 29.1924 179.1615 36 L 3.9705 8.1797 119.5746 57.5805 41.4189 179.2679 37 E 3.9660 7.8089 117.2286 59.7340 29.2530 179.5128 38 Q 4.0003 7.9915 115.9219 58.7357 29.1776 177.9795 39 F 2.8746 7.9684 121.6201 61.3479 39.1544 176.9749 40 H 4.0059 8.3524 114.4066 58.6234 28.5198 177.3175 41 A 4.0396 7.3746 121.4300 53.3359 18.6388 177.9645 42 S 4.1076 6.8761 111.9682 58.4582 62.8676 174.0081 43 K 4.3664 8.4133 123.8617 56.5574 33.1123 176.7169 44 Q 4.6289 7.9729 117.5869 53.9884 29.3932 176.1199 45 Q 3.9508 7.9317 120.2014 58.7972 29.1569 178.9767 46 G 3.7313 8.1158 106.2880 47.9655 0.0000 175.7894 47 R 3.9724 8.0208 120.4145 58.7340 30.2577 178.5271 48 F 4.0285 8.5986 120.7411 61.5340 39.3792 177.0208 49 L 4.1474 8.9127 119.9972 58.0819 41.9077 178.6454 50 A 4.1116 8.4841 121.1411 55.1582 18.2639 179.7967 51 K 3.9795 8.0781 116.8153 59.6982 32.0370 179.8756 52 R 3.8711 7.8286 117.8981 59.0347 29.8690 178.8603 53 F 3.9992 8.7376 120.7221 61.1913 39.3344 177.0294 54 A 4.5119 8.6069 121.4580 54.6813 18.1524 179.3962 55 A 3.8649 8.1235 119.3208 55.3527 18.4366 180.1068 56 K 3.4880 8.2544 117.2164 59.3310 32.1057 179.5275 57 E 3.6305 8.2166 118.9642 59.1599 29.3339 179.1591 58 A 3.8648 8.1152 120.8387 55.1597 18.4657 179.5541 59 A 3.8078 7.8694 119.5940 55.1794 18.2378 180.0375 60 S 4.1286 7.5625 112.7749 61.4335 63.0719 176.9712 61 K 3.9499 7.9794 121.9959 59.0893 31.7535 179.1584 62 A 4.1745 8.1243 121.1243 55.1117 17.9976 179.6992 63 L 4.0192 7.7040 117.0548 56.1724 41.7427 178.4534 64 G 4.0441 7.9459 105.3043 45.2722 0.0000 173.6871 65 T 4.2292 7.6789 108.9089 60.2049 70.7122 175.8547 66 G 3.9755 7.7325 110.7718 45.5880 0.0000 173.7124 67 I 3.8342 7.8021 118.4092 59.4230 35.6583 174.7015 68 A 4.1767 8.3865 127.2522 52.3011 22.6429 176.0849 69 Q 3.5401 9.8653 114.8606 57.1781 26.0943 175.6928 70 G 3.9131 8.5045 105.8982 45.2175 0.0000 174.4377 71 V 4.0478 7.7013 121.1891 62.1826 32.4042 174.9926 72 T 4.8447 8.2902 115.9030 59.2219 72.0988 174.8606 73 F 4.3668 8.6554 119.7071 61.0974 38.9486 177.3287 74 H 4.6297 7.8491 114.7145 57.6813 28.7419 175.8946 75 D 4.4293 7.9722 118.7032 54.4996 40.9301 175.4317 76 F 5.3637 7.8357 118.0120 55.7987 41.7253 174.8963 77 T 4.8437 9.0105 119.5615 61.8436 71.8639 172.7951 78 I 4.8839 8.9814 127.7590 59.9357 39.0347 175.1368 79 S 5.0063 8.8005 122.1191 57.1335 66.5456 172.2462 80 H 5.4011 8.5616 114.6158 54.7538 32.9642 173.7914 81 D 4.7677 8.8011 121.2799 52.1596 41.2795 177.2186 82 K 4.1011 8.4787 117.3193 59.1993 32.0637 178.2307 83 L 4.1932 7.9946 116.6826 55.1604 41.9860 177.4292 84 G 4.0081 8.0726 107.1246 44.3739 0.0000 173.7467 85 K 4.2368 8.2442 122.8604 55.7270 33.1648 174.3395 86 P 4.7751 0.0000 0.0000 62.6465 32.5125 175.4207 87 L 4.8449 8.9934 121.8366 52.8218 45.5160 174.9995 88 L 5.1035 8.5517 124.2145 53.3691 44.2589 175.3297 89 I 4.6433 8.7938 126.8459 59.5224 40.4040 174.6301 90 L 5.0514 8.5436 126.1877 53.7182 43.7936 175.6478 91 S 4.3732 8.4986 116.2253 57.1424 67.1660 174.2421 92 G 3.6713 8.7092 107.2820 46.5739 0.0000 175.7348 93 Q 3.9069 8.6012 118.7627 59.0221 28.9830 178.3894 94 A 3.8440 7.9013 121.3414 54.9843 18.3899 179.3168 95 A 3.8721 7.7388 119.2674 54.9600 18.3948 179.5001 96 E 3.8234 8.0465 117.7927 59.4205 29.6739 179.1071 97 L 3.9248 8.1345 118.9547 57.8061 41.6371 179.2169 98 A 3.9922 8.1811 121.0751 55.2957 18.2453 179.8861 99 S 4.0788 8.1439 112.7074 61.6481 62.9893 176.6855 100 Q 4.0201 7.8631 120.8267 58.5719 28.5787 178.1208 101 L 4.2222 7.9572 117.0972 54.4448 41.8888 176.8445 102 Q 3.5457 8.1964 117.6708 56.5772 26.7645 173.5597 103 V 3.9214 8.0472 118.1281 63.3513 31.8915 175.1880 104 E 4.7408 9.2366 125.5733 56.3354 32.2430 176.0651 105 N 5.0708 8.0117 115.8422 51.4413 43.2255 173.4396 106 I 4.9462 8.2594 122.6010 59.7951 40.6567 174.4717 107 H 5.0126 9.3043 123.4861 53.8710 32.2148 172.4785 108 L 5.2458 8.5105 123.4494 53.4588 45.2993 175.2078 109 S 4.8391 9.0434 119.2292 56.6802 66.1556 172.5543 110 I 5.0627 8.2413 124.4477 59.9247 40.6175 174.6801 111 S 4.6704 8.3450 117.3571 57.1291 65.3382 172.7314 112 D 5.0658 8.3990 124.4049 51.6633 42.3028 174.4915 113 E 4.7297 8.9602 117.7684 54.8394 32.5354 175.4296 114 R 3.6779 7.6642 119.3363 59.7587 30.1189 177.6892 115 H 4.6165 8.3101 112.5016 55.5710 30.9510 173.3585 116 Y 5.3097 7.9137 115.8552 56.0686 42.1464 174.5641 117 A 5.3868 9.1704 123.7876 49.2429 22.9823 174.9490 *119 A 4.5283 8.2111 119.1185 52.4778 20.5541 175.9823 120 T 5.1503 8.5447 115.0756 61.7936 73.1392 173.4059 121 V 5.0011 8.9830 124.6401 61.1732 35.2871 174.1508 122 I 5.0701 8.9562 127.5062 59.5084 40.8302 174.1779 123 L 5.2604 8.8597 126.8369 52.9284 44.1853 175.4101 124 E 5.0838 9.3388 121.2675 54.3294 33.3954 176.2320 125 R 4.5908 8.3154 115.4099 55.5793 29.7554 175.6486 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 0 A 8.16 4.55 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 *2 I 7.67 4.07 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 1.42 0.59 0.98 0.00 0.00 3 V 8.68 4.10 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 0.64 0.00 0.00 0.97 0.00 0.00 4 G 7.53 4.69 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 0.00 0.00 0.00 5 L 8.50 5.28 0.00 1.57 1.47 0.91 0.93 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 6 G 9.04 4.32 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 0.00 7 T 8.24 5.26 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 1.20 0.00 0.00 8 D 8.85 4.74 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.50 5.08 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.91 0.00 0.00 10 A 9.38 4.93 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 11 E 8.87 4.53 0.00 2.16 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 2.26 2.10 0.00 12 I 8.51 3.72 1.79 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 1.43 0.52 0.91 0.00 0.00 13 E 8.06 4.07 0.00 1.99 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 0.00 2.35 2.38 0.00 14 R 7.75 3.85 0.00 1.93 1.87 0.00 3.31 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 15 V 7.64 3.59 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 1.28 0.00 0.00 0.89 0.00 0.00 16 E 8.43 4.04 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 17 K 8.32 3.94 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.60 7.81 18 A 7.94 3.83 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 19 L 8.21 4.18 0.00 1.99 1.86 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.01 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.47 4.25 0.00 1.69 1.96 0.00 3.06 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 22 S 8.54 4.71 0.00 3.92 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 23 G 8.68 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.01 4.04 0.00 2.18 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 2.43 2.51 0.00 25 N 7.80 4.40 0.00 2.92 2.93 0.00 0.00 6.98 7.96 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 26 F 8.20 4.51 0.00 3.00 3.21 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 27 A 7.87 3.31 0.74 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 0.00 0.00 28 R 8.18 3.79 0.00 1.85 2.02 0.00 3.19 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 29 R 7.50 4.04 0.00 1.82 2.11 0.00 3.34 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 30 I 7.30 3.48 1.44 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.63 0.00 0.00 31 L 7.23 4.90 0.00 1.48 1.50 0.47 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.86 4.00 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 1.25 0.00 0.00 33 D 8.46 4.32 0.00 2.65 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 34 S 8.01 4.25 0.00 3.89 3.87 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 35 E 8.10 4.23 0.00 2.27 2.12 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 2.42 2.40 0.00 36 L 8.18 3.97 0.00 1.86 1.64 0.94 0.82 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 37 E 7.81 3.97 0.00 2.23 2.03 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 2.36 2.56 0.00 38 Q 7.99 4.00 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 39 F 7.97 2.87 0.00 2.61 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 40 H 8.35 4.01 0.00 3.21 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.37 4.04 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 42 S 6.88 4.11 0.00 3.57 3.46 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 0.00 0.00 0.00 0.00 43 K 8.41 4.37 0.00 1.75 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.39 7.81 44 Q 7.97 4.63 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 45 Q 7.93 3.95 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.63 2.15 0.00 46 G 8.12 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 47 R 8.02 3.97 0.00 2.06 2.04 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.60 4.03 0.00 3.30 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.91 4.15 0.00 2.09 1.84 0.59 0.55 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 50 A 8.48 4.11 1.44 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 51 K 8.08 3.98 0.00 1.91 1.80 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 52 R 7.83 3.87 0.00 1.99 1.98 0.00 3.25 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 53 F 8.74 4.00 0.00 3.13 3.25 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 54 A 8.61 4.51 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 55 A 8.12 3.86 1.34 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 56 K 8.25 3.49 0.00 1.89 1.84 0.00 1.88 0.00 0.00 2.17 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.67 7.81 57 E 8.22 3.63 0.00 1.91 1.83 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 2.00 1.67 0.00 58 A 8.12 3.86 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 59 A 7.87 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.56 4.13 0.00 4.07 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 61 K 7.98 3.95 0.00 1.93 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.54 7.81 62 A 8.12 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.70 4.02 0.00 1.88 1.78 0.97 1.05 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 64 G 7.95 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 65 T 7.68 4.23 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 1.21 0.00 0.00 66 G 7.73 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 67 I 7.80 3.83 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.21 0.63 0.00 0.00 68 A 8.39 4.18 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 69 Q 9.87 3.54 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.50 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 71 V 7.70 4.05 2.33 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 1.02 0.00 0.00 0.90 0.00 0.00 72 T 8.29 4.84 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 1.19 0.00 0.00 73 F 8.66 4.37 0.00 3.30 3.39 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 74 H 7.85 4.63 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.97 4.43 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.84 5.36 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.01 4.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 78 I 8.98 4.88 1.85 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 1.25 0.43 0.84 0.00 0.00 79 S 8.80 5.01 0.00 3.85 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 80 H 8.56 5.40 0.00 2.99 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.80 4.77 0.00 2.91 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 82 K 8.48 4.10 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 83 L 7.99 4.19 0.00 1.76 1.72 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.07 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 85 K 8.24 4.24 0.00 1.90 2.03 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 86 P 0.00 4.78 0.00 2.06 2.00 0.00 3.77 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 2.16 1.99 0.00 87 L 8.99 4.84 0.00 1.49 1.53 0.92 0.36 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 88 L 8.55 5.10 0.00 1.60 1.54 1.10 1.00 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 89 I 8.79 4.64 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 0.43 0.91 0.00 0.00 90 L 8.54 5.05 0.00 1.47 1.49 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.50 4.37 0.00 3.73 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 92 G 8.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.60 3.91 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 94 A 7.90 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.74 3.87 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 96 E 8.05 3.82 0.00 2.09 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 0.00 2.28 2.37 0.00 97 L 8.13 3.92 0.00 1.70 1.69 0.90 1.15 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 98 A 8.18 3.99 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 99 S 8.14 4.08 0.00 4.07 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 0.00 100 Q 7.86 4.02 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 101 L 7.96 4.22 0.00 1.75 1.71 0.92 1.24 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 0.00 102 Q 8.20 3.55 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 103 V 8.05 3.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 104 E 9.24 4.74 0.00 1.80 1.93 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 2.22 2.42 0.00 105 N 8.01 5.07 0.00 2.75 2.57 0.00 0.00 6.93 7.21 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 0.00 106 I 8.26 4.95 1.83 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 1.34 0.58 0.91 0.00 0.00 107 H 9.30 5.01 0.00 3.02 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.51 5.25 0.00 1.55 1.46 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.04 4.84 0.00 3.90 3.62 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 0.00 110 I 8.24 5.06 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.90 0.00 0.00 111 S 8.35 4.67 0.00 3.81 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 0.00 112 D 8.40 5.07 0.00 2.92 2.59 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 0.00 0.00 0.00 0.00 113 E 8.96 4.73 0.00 2.16 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 0.00 2.27 2.38 0.00 114 R 7.66 3.68 0.00 1.78 1.93 0.00 3.16 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.00 115 H 8.31 4.62 0.00 2.95 2.51 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.91 5.31 0.00 2.93 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 0.00 117 A 9.17 5.39 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 *119 A 8.21 4.53 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 0.00 120 T 8.54 5.15 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 1.26 0.00 0.00 121 V 8.98 5.00 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 0.96 0.00 0.00 0.89 0.00 0.00 122 I 8.96 5.07 1.91 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 1.23 0.70 0.93 0.00 0.00 123 L 8.86 5.26 0.00 1.59 1.56 0.98 0.53 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 0.00 124 E 9.34 5.08 0.00 1.99 2.03 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 2.38 2.25 0.00 125 R 8.32 4.59 0.00 2.06 2.04 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.