NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4501 8.4345 117.1012 56.8999 64.7069 173.9981 *3 Y 4.4445 7.4158 116.0610 56.4824 39.9517 176.4458 4 M 4.0830 10.0758 125.7176 57.5719 33.2052 175.8109 5 L 4.5862 7.4739 118.3985 51.7670 43.0426 174.5741 6 P 4.5447 0.0000 0.0000 62.6474 32.9492 174.8578 7 H 4.9832 8.7624 119.6376 55.0744 30.1127 174.5811 8 L 4.6213 8.3884 123.1365 53.6749 42.3954 176.5100 9 H 4.6487 10.6268 122.1354 56.6486 29.5174 174.7882 10 N 5.0161 7.7268 116.7092 50.8374 40.9354 175.1620 11 G 3.9971 8.7038 107.8940 47.1808 0.0000 175.4628 12 W 4.1169 8.3807 130.1770 60.4865 30.7992 177.9350 13 Q 3.6621 8.9569 118.2757 58.6910 28.0838 179.0026 14 V 3.2049 7.5983 118.7804 65.8982 31.4971 177.4763 15 D 4.1491 8.1482 117.8753 57.5933 40.9228 178.3835 16 Q 3.5467 7.7055 118.3496 58.4768 28.2657 178.4982 17 A 3.6457 7.2826 121.2960 54.9000 18.7019 179.5436 18 I 3.7035 7.3434 118.2934 64.5178 37.0174 178.7435 19 L 4.7157 7.9907 120.0908 56.8588 41.4809 179.1733 20 S 4.3482 8.0747 113.2019 58.8112 63.1764 173.7110 21 E 4.5412 7.1611 121.8539 54.8795 30.3683 175.4831 22 E 4.2232 8.7358 123.4889 57.3772 30.4230 176.6938 23 D 5.1128 8.0534 114.6158 53.7362 42.3463 175.3669 24 R 5.1910 7.6779 117.1427 54.2104 34.1107 175.5779 25 V 4.4805 9.1773 115.6487 61.6753 33.3497 175.4448 26 V 4.6610 9.4053 125.2631 61.6139 33.1936 174.5329 27 V 4.5959 9.0584 129.3968 61.4738 33.2991 174.4620 28 I 4.7737 8.5813 129.0344 59.3948 40.4841 174.4667 29 R 4.5565 8.5642 128.4405 55.3635 31.4985 174.8009 30 F 4.9306 9.1440 125.8896 55.5943 41.6764 175.7892 31 G 3.8635 7.8017 110.3725 46.3371 0.0000 170.3602 32 H 5.0311 7.6028 116.2124 54.0709 29.8561 175.9588 33 D 4.4306 9.0030 125.4317 57.1073 40.8266 178.0707 34 W 4.4770 7.9716 114.0323 57.8625 29.1262 176.7247 35 D 3.7932 7.1479 120.2430 53.2976 42.0610 174.9698 36 P 4.3028 0.0000 0.0000 66.4755 31.0813 178.9595 37 T 3.9156 8.7490 115.8108 66.5896 68.3733 176.2140 38 C 4.2214 8.1333 118.0481 59.9987 38.1088 175.8203 39 M 3.9899 8.0300 120.3929 58.4210 31.6910 179.0004 40 K 3.9771 7.8192 118.3221 59.5571 32.1602 179.1865 41 M 3.9522 8.2375 118.7240 58.7480 32.0939 178.0339 42 D 4.2967 8.5553 119.4707 57.1488 40.9516 178.3628 43 E 3.9002 8.1469 119.9144 59.2294 29.5447 179.1181 44 V 3.6262 7.5059 118.9920 65.5198 31.5175 177.8544 45 L 3.9380 8.0103 118.8317 58.0936 41.2349 179.0012 46 Y 3.9445 8.1923 118.9032 60.5532 38.6594 177.8799 47 S 4.3512 8.4357 114.9430 59.9975 63.1863 175.1834 48 I 4.4114 7.2766 115.0318 60.2122 37.7610 176.8380 49 A 3.7808 7.4039 123.4731 55.5933 18.4733 179.4772 50 E 3.8790 7.7928 116.3432 59.3601 29.4240 179.0466 51 K 3.7347 7.9069 118.2786 59.3541 32.3674 177.4197 52 V 3.2993 7.4425 109.4928 60.4381 31.8654 177.3832 53 K 3.6867 7.3455 122.3932 59.6226 31.9533 177.6681 54 N 4.4703 7.8749 114.8179 55.4951 38.7098 175.1761 55 F 4.7210 7.6002 109.8548 55.8146 39.8135 174.3005 56 A 5.2280 7.1952 119.7386 50.8065 22.2980 176.0864 57 V 4.2690 8.8054 119.8393 59.8115 34.7164 174.4871 58 I 4.8515 7.9167 123.8278 59.7700 39.5156 174.4336 59 Y 4.9743 8.8086 122.7043 56.2302 42.6676 174.0901 60 L 4.9080 8.6255 120.9589 52.9425 45.2970 175.8570 61 V 4.4596 8.3469 122.3110 61.0875 35.1516 173.4622 62 D 5.3280 8.7312 127.8358 53.3552 42.0624 176.5861 63 I 4.6041 8.5834 119.7019 62.6383 37.7430 177.6622 64 T 4.2070 8.3150 119.7874 66.7397 68.7961 175.5860 65 E 4.1491 8.7656 121.0991 58.2934 29.8823 176.7338 66 V 4.4526 8.3824 120.2727 60.3217 31.4066 173.5255 67 P 4.6516 0.0000 0.0000 63.5473 32.0931 178.8699 68 D 4.1358 8.2517 120.0559 57.7121 40.7627 178.3473 69 F 4.5599 8.0776 115.1361 57.5283 39.1462 177.0565 70 N 3.8419 8.1529 118.5410 54.7078 38.1562 176.3042 71 K 4.2453 7.3334 116.5740 56.8391 32.9418 177.2485 72 M 4.1595 7.4782 118.9287 57.0133 32.4377 176.4799 73 Y 4.6491 6.2412 115.2825 55.7995 39.8733 175.3865 *74 E 4.0516 7.8505 115.0032 57.8134 26.8001 178.8381 75 L 4.1797 7.3715 118.9759 61.8293 41.1911 177.4583 *76 Y 3.8036 7.9034 116.4412 60.1516 37.0068 177.6697 *77 D 4.7319 7.8610 121.7704 52.0274 37.5122 177.6122 78 P 4.3769 0.0000 0.0000 62.5209 32.4764 176.5595 79 C 4.5119 8.5565 120.1053 56.7983 40.3081 172.2058 80 T 5.1977 8.5769 116.3344 59.8253 71.6785 172.8789 81 V 4.6433 8.2101 123.4065 61.4398 33.4827 174.6846 82 M 4.7774 8.9288 126.8968 53.4283 35.8913 174.5224 83 F 5.3854 8.3715 119.1429 55.7839 42.8196 174.2062 84 F 5.5475 9.4247 120.9804 55.7954 43.3211 173.7948 85 F 5.0019 9.4521 124.7030 56.9721 42.5915 174.8545 86 R 3.6892 8.8460 126.0253 57.4973 27.7334 176.5175 87 N 4.3645 8.0938 110.8660 53.4274 36.8738 173.9355 88 K 4.8778 7.9177 120.3566 54.5079 34.0868 174.6820 89 H 4.6621 9.0068 125.9860 56.0369 30.3373 173.9743 90 I 4.4984 8.3887 128.6099 60.1186 38.3753 175.4438 91 M 4.4409 8.8417 127.3278 54.6223 33.8018 175.3541 92 I 5.0156 8.2096 121.7139 59.5665 40.8050 174.1131 93 D 4.9037 9.0583 126.8779 52.7490 42.8547 176.3190 94 L 4.9834 8.2609 124.7749 53.8141 42.8851 178.5080 95 G 3.7532 8.3767 107.1326 46.1674 0.0000 174.5063 *102 I 4.0903 7.1929 120.3178 61.0864 37.2848 175.2517 103 N 5.8585 8.8033 120.2333 51.0087 38.1689 175.1733 104 W 5.0305 7.8051 114.0523 55.0803 31.0809 174.4831 105 A 4.0247 8.7718 124.8904 52.1138 18.5340 176.5143 106 M 4.9074 8.0847 119.9615 53.2493 33.4611 175.8708 107 E 4.0648 8.9070 122.1379 59.7144 30.0938 177.1779 108 D 4.5294 7.9936 118.9655 53.9175 41.5042 177.7390 109 K 4.1259 8.6719 124.2232 59.4792 32.7515 178.9835 110 Q 4.0200 8.0534 120.8772 58.9058 29.0032 177.3511 111 E 3.9784 7.9808 120.5137 59.3625 29.6788 178.4886 112 M 4.0475 7.8761 117.9462 58.4100 32.3104 178.1418 113 V 3.6568 7.9156 118.4996 66.0456 31.6112 177.6244 114 D 4.3865 8.3156 118.6430 57.6165 40.6625 178.9968 115 I 3.6690 7.8009 120.0630 64.4075 37.0317 178.6358 116 I 3.7206 7.9115 120.6404 64.3738 36.9230 178.1360 117 E 3.9269 8.6646 120.4807 59.4823 29.4302 178.9816 118 T 3.7561 8.1684 116.0986 66.5529 68.4747 176.7499 119 V 3.3391 7.8628 120.4303 65.9988 31.4197 177.3368 120 Y 3.8739 8.2700 119.5232 60.9282 38.1158 178.4487 121 R 3.4853 8.2799 119.3273 58.6090 30.0743 179.4151 122 G 3.4099 7.8294 105.5638 47.5714 0.0000 175.8313 123 A 4.1649 8.1749 125.5464 54.0368 18.1126 179.7205 124 R 3.6642 7.1392 112.8830 57.8479 29.6610 177.3913 125 K 4.1965 6.8532 113.6395 56.4796 32.7779 177.0769 126 G 4.0809 7.7893 107.1299 45.5193 0.0000 174.5572 127 R 4.1060 8.1106 120.2002 56.0627 30.7417 177.1926 128 G 4.0152 8.5837 107.8330 46.2569 0.0000 172.5788 129 L 5.3810 7.7868 122.2218 53.0964 44.7936 175.8056 130 V 4.5285 8.9249 125.4887 59.8107 34.7814 174.4969 131 V 4.7276 8.2852 121.6268 61.4649 34.1589 175.4165 132 S 4.5044 9.0181 121.6482 55.1959 63.8298 168.6008 133 P 4.5144 0.0000 0.0000 62.1819 30.3806 176.3190 134 K 3.9672 8.7105 130.5125 56.5973 33.3648 177.0764 135 D 4.5019 7.2814 115.2814 53.1120 40.3287 175.6064 136 Y 4.3467 5.9373 118.0056 57.8799 39.1484 175.7953 137 S 4.9367 9.0040 127.3142 59.7851 60.0394 175.8248 *138 T 4.1354 7.4610 117.9836 60.8092 68.9062 176.4027 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 S 8.43 4.45 0.00 3.65 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 *3 Y 7.42 4.44 0.00 2.37 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 0.00 0.00 0.00 4 M 10.08 4.08 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.77 0.00 5 L 7.47 4.59 0.00 1.52 1.50 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.54 0.00 2.30 2.06 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 7 H 8.76 4.98 0.00 3.00 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.39 4.62 0.00 1.30 1.42 0.36 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 H 10.63 4.65 0.00 3.12 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.73 5.02 0.00 3.07 3.01 0.00 0.00 6.12 7.02 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 11 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.38 4.12 0.00 3.46 3.49 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 13 Q 8.96 3.66 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.76 0.00 14 V 7.60 3.20 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 0.17 0.00 0.00 0.80 0.00 0.00 15 D 8.15 4.15 0.00 2.90 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 16 Q 7.71 3.55 0.00 1.42 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 17 A 7.28 3.65 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 18 I 7.34 3.70 1.70 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.51 0.78 0.00 0.00 19 L 7.99 4.72 0.00 1.46 1.64 0.88 1.17 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 20 S 8.07 4.35 0.00 3.95 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 21 E 7.16 4.54 0.00 2.07 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 2.29 2.46 0.00 22 E 8.74 4.22 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 2.23 2.32 0.00 23 D 8.05 5.11 0.00 2.70 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 24 R 7.68 5.19 0.00 1.84 1.90 0.00 3.24 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 25 V 9.18 4.48 2.45 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 1.05 0.00 0.00 1.26 0.00 0.00 26 V 9.41 4.66 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 1.08 0.00 0.00 1.04 0.00 0.00 27 V 9.06 4.60 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 0.78 0.00 0.00 1.10 0.00 0.00 28 I 8.58 4.77 1.94 0.00 0.00 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 1.10 0.72 -0.10 0.00 0.00 29 R 8.56 4.56 0.00 1.68 1.60 0.00 3.02 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 30 F 9.14 4.93 0.00 2.43 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 0.00 0.00 0.00 31 G 7.80 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 0.00 0.00 0.00 32 H 7.60 5.03 0.00 2.55 2.64 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 9.00 4.43 0.00 2.80 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 34 W 7.97 4.48 0.00 3.54 3.22 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 35 D 7.15 3.79 0.00 1.84 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 0.00 0.00 0.00 0.00 36 P 0.00 4.30 0.00 2.31 2.34 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 37 T 8.75 3.92 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 1.21 0.00 0.00 38 C 8.13 4.22 0.00 3.05 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 39 M 8.03 3.99 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 40 K 7.82 3.98 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 41 M 8.24 3.95 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 42 D 8.56 4.30 0.00 2.81 2.67 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 43 E 8.15 3.90 0.00 2.13 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 2.32 2.31 0.00 44 V 7.51 3.63 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 1.08 0.00 0.00 0.94 0.00 0.00 45 L 8.01 3.94 0.00 1.83 1.64 0.81 0.56 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 46 Y 8.19 3.94 0.00 2.96 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 47 S 8.44 4.35 0.00 4.15 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 0.00 48 I 7.28 4.41 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.89 0.00 0.00 49 A 7.40 3.78 1.10 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 50 E 7.79 3.88 0.00 1.87 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 2.19 2.14 0.00 51 K 7.91 3.73 0.00 1.65 1.98 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 52 V 7.44 3.30 1.23 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 0.64 0.00 0.00 0.75 0.00 0.00 53 K 7.35 3.69 0.00 1.86 1.72 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.29 7.81 54 N 7.87 4.47 0.00 2.90 2.93 0.00 0.00 6.65 7.45 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 55 F 7.60 4.72 0.00 1.51 2.38 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 56 A 7.20 5.23 0.99 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 0.00 0.00 57 V 8.81 4.27 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 0.94 0.00 0.00 0.57 0.00 0.00 58 I 7.92 4.85 1.64 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 1.22 0.48 0.81 0.00 0.00 59 Y 8.81 4.97 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 4.91 0.00 1.09 1.24 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.35 4.46 1.43 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 1.05 0.00 0.00 0.50 0.00 0.00 62 D 8.73 5.33 0.00 3.09 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 4.60 2.21 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 1.48 1.20 0.00 0.00 64 T 8.31 4.21 4.65 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 1.32 0.00 0.00 65 E 8.77 4.15 0.00 2.02 2.31 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 2.43 2.33 0.00 66 V 8.38 4.45 2.39 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 1.41 0.00 0.00 1.13 0.00 0.00 67 P 0.00 4.65 0.00 2.29 2.35 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 68 D 8.25 4.14 0.00 1.64 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 0.00 0.00 0.00 69 F 8.08 4.56 0.00 2.94 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 70 N 8.15 3.84 0.00 2.80 2.79 0.00 0.00 6.95 6.18 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 71 K 7.33 4.25 0.00 1.59 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.34 7.81 72 M 7.48 4.16 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 73 Y 6.24 4.65 0.00 3.11 3.08 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 0.00 0.00 0.00 *74 E 7.85 4.05 0.00 2.18 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 0.00 2.12 1.85 0.00 75 L 7.37 4.18 0.00 1.85 1.80 1.05 0.90 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 *76 Y 7.90 3.80 0.00 2.43 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 0.00 0.00 0.00 *77 D 7.86 4.73 0.00 2.77 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 78 P 0.00 4.38 0.00 2.05 2.07 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 79 C 8.56 4.51 0.00 2.91 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 80 T 8.58 5.20 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 81 V 8.21 4.64 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 0.21 0.00 0.00 0.75 0.00 0.00 82 M 8.93 4.78 0.00 1.82 2.16 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 83 F 8.37 5.39 0.00 2.93 2.93 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 84 F 9.42 5.55 0.00 3.09 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 85 F 9.45 5.00 0.00 3.12 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 86 R 8.85 3.69 0.00 1.81 1.82 0.00 3.43 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 87 N 8.09 4.36 0.00 2.94 2.97 0.00 0.00 6.46 6.91 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 88 K 7.92 4.88 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 89 H 9.01 4.66 0.00 3.27 3.30 0.00 5.96 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.39 4.50 1.88 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 1.45 1.09 0.89 0.00 0.00 91 M 8.84 4.44 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 92 I 8.21 5.02 1.91 0.00 0.00 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 1.07 0.62 0.92 0.00 0.00 93 D 9.06 4.90 0.00 2.67 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 94 L 8.26 4.98 0.00 1.62 1.63 1.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.38 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 *102 I 7.19 4.09 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.50 0.00 0.00 103 N 8.80 5.86 0.00 2.81 2.90 0.00 0.00 6.16 8.88 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 0.00 104 W 7.81 5.03 0.00 3.37 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 0.00 105 A 8.77 4.02 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 0.00 106 M 8.08 4.91 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 107 E 8.91 4.06 0.00 2.02 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 0.00 2.40 2.40 0.00 108 D 7.99 4.53 0.00 2.75 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 0.00 109 K 8.67 4.13 0.00 1.98 2.07 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 110 Q 8.05 4.02 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 111 E 7.98 3.98 0.00 2.13 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 2.45 2.47 0.00 112 M 7.88 4.05 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 113 V 7.92 3.66 2.28 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 1.17 0.00 0.00 0.97 0.00 0.00 114 D 8.32 4.39 0.00 3.08 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 0.00 115 I 7.80 3.67 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.80 0.00 0.00 116 I 7.91 3.72 2.14 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 1.77 0.99 1.11 0.00 0.00 117 E 8.66 3.93 0.00 2.10 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 2.16 1.94 0.00 118 T 8.17 3.76 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 1.13 0.00 0.00 119 V 7.86 3.34 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 0.88 0.00 0.00 0.13 0.00 0.00 120 Y 8.27 3.87 0.00 3.25 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 0.00 121 R 8.28 3.49 0.00 1.76 1.78 0.00 3.01 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 122 G 7.83 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.16 0.98 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 0.00 124 R 7.14 3.66 0.00 1.66 1.09 0.00 2.88 0.00 0.00 2.70 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.00 125 K 6.85 4.20 0.00 1.84 1.81 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.28 7.81 126 G 7.79 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.11 4.11 0.00 1.91 2.00 0.00 3.02 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 128 G 8.58 4.02 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 0.00 0.00 0.00 129 L 7.79 5.38 0.00 1.57 1.48 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.92 4.53 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 0.69 0.00 0.00 0.87 0.00 0.00 131 V 8.29 4.73 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 0.82 0.00 0.00 0.90 0.00 0.00 132 S 9.02 4.50 0.00 3.86 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 0.00 133 P 0.00 4.51 0.00 2.10 2.09 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 134 K 8.71 3.97 0.00 1.50 1.54 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 3.73 0.00 0.00 0.00 0.00 1.46 1.58 7.81 135 D 7.28 4.50 0.00 2.46 2.43 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 0.00 136 Y 5.94 4.35 0.00 2.99 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 0.00 137 S 9.00 4.94 0.00 4.09 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 0.00 *138 T 7.46 4.14 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 * Residues marked with a * may have inaccurate shift predictions.