NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3651 8.4401 118.7929 56.4663 31.1094 174.7025 3 A 4.4375 8.3486 121.3642 51.6218 22.6387 173.2045 4 K 4.9381 8.6527 114.5519 55.7297 36.7355 173.6734 5 A 4.7378 8.2042 124.1351 50.7825 22.6587 175.6438 6 I 5.0188 7.4282 115.1558 62.4556 41.3387 170.5623 7 A 4.2780 7.9079 123.3631 51.4901 20.9591 175.7915 8 R 4.7963 8.4187 130.9389 56.9054 28.7058 179.2289 9 Y 3.7315 8.1844 108.4021 59.1520 34.6673 174.9762 10 V 4.1178 8.1393 123.1885 60.9024 31.2928 174.7722 11 R 3.9909 8.7563 126.9944 57.1567 29.8767 176.8008 12 I 3.9320 7.7244 125.9108 60.0032 39.8505 175.0369 13 S 4.2949 7.9363 116.4955 58.7285 60.3304 173.1201 14 P 3.9414 0.0000 0.0000 65.1739 31.8002 177.8550 15 R 3.2547 8.4050 111.0350 59.6153 30.4061 179.2354 16 K 3.9239 9.1097 115.9043 58.7531 32.7194 180.1493 17 V 3.0436 8.3006 116.4394 64.3496 32.9299 178.4060 18 R 3.8636 9.0770 117.8440 59.2520 29.9601 178.4302 19 L 4.0283 8.2565 117.5891 58.6560 41.9583 180.5707 20 V 2.5964 8.2100 108.2648 64.3487 33.0291 176.7740 21 V 3.4539 9.5677 110.6343 64.7026 32.7918 178.8266 22 D 4.3984 7.5487 121.9695 56.0767 42.1091 177.0071 23 L 4.3747 12.0000 119.9147 54.9706 41.4941 179.6554 24 I 3.4505 9.1336 113.0515 63.5112 38.8319 174.6439 25 R 3.6884 9.7650 119.1683 51.2522 32.8938 174.4787 26 G 4.6826 7.6902 106.7552 45.1248 0.0000 173.1897 27 K 4.4343 8.5717 124.8818 54.6948 36.9823 174.4203 28 S 4.2350 8.3658 116.2137 57.7000 63.1628 173.8424 29 L 4.3075 9.1041 123.6627 55.3674 41.8107 180.7315 30 E 3.3351 8.7100 113.4206 58.4363 31.0240 176.3812 31 E 3.7628 9.2504 118.7572 59.4140 29.8933 178.1617 32 A 4.0006 7.6129 120.2225 55.5172 18.8040 179.7484 33 R 3.8423 7.1835 113.6967 58.5212 30.9139 177.2227 34 N 4.9450 8.2990 115.3927 53.3783 40.5811 176.0720 35 I 3.7123 9.3818 121.5353 64.6873 37.0246 178.2658 36 L 3.8367 7.7489 118.8945 57.4190 42.1416 178.8464 37 R 3.8744 8.0633 118.2393 58.9910 30.0191 176.5788 38 Y 5.0406 8.0467 111.7248 57.8615 39.7791 177.6111 39 T 4.6933 8.2493 119.4613 61.2912 67.9985 172.8078 40 N 5.0394 8.7543 119.5234 53.1129 40.3477 177.4444 41 K 4.7803 8.4861 110.2556 53.1212 33.8454 174.3184 42 R 4.0902 8.3617 114.9112 54.2870 29.8771 179.8387 43 G 3.7169 9.2247 98.3235 47.2152 0.0000 175.6480 44 A 3.1685 10.6000 112.2057 51.9717 20.1534 180.7844 45 Y 3.1920 9.2273 117.9980 55.1552 41.9885 175.3898 46 F 3.6799 10.0510 110.1397 60.4442 39.7935 179.1085 47 V 3.3779 7.0848 122.9715 66.4107 32.7862 176.3763 48 A 3.7161 8.8774 119.5142 56.2046 17.6951 180.4147 49 K 4.0000 8.3669 111.5274 57.6848 33.2937 177.6721 50 V 3.6625 7.4209 117.5686 64.4601 32.1418 177.2015 51 L 4.4982 9.1136 118.4071 55.8172 42.6477 178.4955 52 E 3.9729 9.0695 119.7216 59.2250 29.6821 178.8341 53 S 4.3289 7.9101 113.1914 60.6405 62.7111 175.6645 54 A 4.1074 7.8682 124.2245 53.9565 18.3321 178.7306 55 A 3.8957 8.5169 119.1327 54.5832 19.0705 179.3754 56 A 3.7951 9.4276 117.7274 53.8507 17.9631 181.3363 57 N 3.7100 6.0243 117.3899 54.8566 43.2110 176.1516 58 A 4.3270 8.1868 116.1331 53.2343 17.7643 181.4981 59 V 3.2431 8.1891 118.0595 67.1286 33.6113 175.5651 60 N 4.4874 7.9259 114.5441 55.9249 38.3589 175.9024 61 N 5.0067 9.0752 112.0100 53.0033 40.4778 174.7245 62 H 4.6373 8.9507 114.3449 54.3491 30.1832 173.6633 63 D 3.7518 7.9152 117.6529 55.0331 39.8784 173.0108 *65 L 4.0498 8.0156 117.4007 54.4511 42.1275 178.1296 66 E 4.0691 8.7789 127.6999 57.5357 29.4530 179.1287 67 D 3.6355 9.1931 110.8125 53.7845 42.8678 176.6593 68 R 3.6190 8.4654 122.2889 57.1318 30.4190 176.3332 69 L 5.3764 12.0000 119.6249 53.1604 44.5566 174.7459 70 Y 4.9315 6.8073 115.3006 58.4967 41.1044 174.1428 71 V 4.8725 8.2253 105.3043 57.3810 32.5036 175.3694 72 K 4.4942 8.1917 125.0077 59.6957 32.3260 176.2325 73 A 4.7396 7.7112 116.3630 51.3220 22.3762 175.1236 74 A 5.0640 8.5675 120.4754 51.0971 22.3495 175.1534 75 Y 5.1020 8.8396 118.7260 56.0429 42.1243 173.9467 76 V 4.5274 8.2571 118.1779 60.2567 34.2849 174.0648 77 D 5.0895 8.3774 121.7948 52.6928 45.0922 174.3742 78 E 4.4661 8.5243 121.1564 54.3311 31.8502 176.2731 79 G 3.8789 8.6643 115.4115 46.4789 0.0000 173.2297 80 P 3.7692 0.0000 0.0000 60.2940 31.7174 175.3308 81 A 4.7133 8.0983 127.7822 51.6935 20.5715 177.9661 82 L 4.4758 8.4640 116.6380 57.4236 43.3417 176.9516 83 K 4.8760 6.7449 117.7251 53.2183 29.4385 174.9049 84 R 4.6790 9.5307 124.4494 54.2041 32.8944 175.9324 85 V 4.2328 8.3994 117.3248 61.2126 32.7369 175.5148 86 L 4.8545 7.8557 123.6407 52.5302 45.7573 173.6949 87 P 4.0329 0.0000 0.0000 63.5228 31.3401 175.5811 88 R 3.7394 9.4017 122.2965 58.0103 29.5098 178.0774 89 A 3.9631 10.6000 127.5013 55.9756 16.8561 178.0841 90 R 4.1095 12.0000 114.0838 57.7316 28.1733 176.5087 91 G 4.3455 7.4982 106.5863 46.1459 0.0000 173.8236 92 R 4.5645 7.5675 119.8957 53.0608 32.3579 176.0156 93 A 4.1962 8.3512 124.1869 52.6022 18.7502 177.3918 94 D 4.6891 8.3912 120.0701 52.8137 43.8216 174.1384 95 I 5.0579 8.5321 123.5525 59.2120 39.6888 175.8890 96 I 4.4919 7.8455 118.8654 60.1027 41.2072 174.3028 97 K 4.4749 8.2887 122.6630 55.8095 34.8430 176.8888 98 K 4.1101 8.7409 126.3779 56.3584 30.5034 175.8935 99 R 4.3584 8.6692 124.2667 58.4867 27.4819 174.8871 100 T 3.1427 9.0045 111.0661 57.7648 74.1543 172.9000 101 S 4.5744 7.3720 111.3238 58.6131 67.1903 176.7928 102 H 4.8104 9.7097 123.6014 55.9585 30.6460 175.3096 103 I 4.7653 7.9372 119.4138 61.0482 39.9946 174.4899 104 T 5.2111 7.7838 117.4418 59.5658 71.9234 174.5788 105 V 4.6848 7.5714 111.8098 61.0814 35.6117 172.0749 106 I 4.3735 9.1335 127.8010 61.5447 38.8385 175.4087 107 L 5.4987 8.3813 125.9653 54.4089 43.6591 174.4471 108 G 4.3059 7.7115 110.9748 43.5477 0.0000 169.1370 109 E 4.4192 8.6801 118.9739 56.3194 30.6705 176.2937 110 K 5.0400 10.5728 125.1730 56.1772 33.3045 173.8644 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 E 8.44 4.37 0.00 2.01 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 2.16 2.31 0.00 3 A 8.35 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.65 4.94 0.00 1.60 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.42 7.81 5 A 8.20 4.74 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 6 I 7.43 5.02 1.83 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 1.24 1.03 0.88 0.00 0.00 7 A 7.91 4.28 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 8 R 8.42 4.80 0.00 2.12 1.37 0.00 4.05 0.00 0.00 3.56 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 9 Y 8.18 3.73 0.00 2.94 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 10 V 8.14 4.12 2.47 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 1.47 0.00 0.00 1.15 0.00 0.00 11 R 8.76 3.99 0.00 1.87 1.86 0.00 3.55 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 I 7.72 3.93 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.12 0.81 0.00 0.00 13 S 7.94 4.29 0.00 3.85 3.74 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 14 P 0.00 3.94 0.00 2.07 2.00 0.00 3.57 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 15 R 8.41 3.25 0.00 1.85 1.79 0.00 3.16 0.00 0.00 3.33 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 16 K 9.11 3.92 0.00 1.90 1.66 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 V 8.30 3.04 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 1.15 0.00 0.00 1.04 0.00 0.00 18 R 9.08 3.86 0.00 2.07 2.00 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 19 L 8.26 4.03 0.00 1.76 1.78 0.93 0.83 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 20 V 8.21 2.60 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 0.87 0.00 0.00 1.02 0.00 0.00 21 V 9.57 3.45 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 0.82 0.00 0.00 1.03 0.00 0.00 22 D 7.55 4.40 0.00 2.89 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 23 L 12.00 4.37 0.00 1.68 1.26 0.95 0.91 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 24 I 9.13 3.45 1.90 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 1.33 0.73 0.94 0.00 0.00 25 R 9.77 3.69 0.00 2.01 1.96 0.00 3.33 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 26 G 7.69 4.68 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 0.00 0.00 0.00 27 K 8.57 4.43 0.00 1.98 2.06 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.49 7.81 28 S 8.37 4.23 0.00 3.95 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 29 L 9.10 4.31 0.00 1.82 0.88 0.93 0.92 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 30 E 8.71 3.34 0.00 2.12 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 2.35 2.33 0.00 31 E 9.25 3.76 0.00 2.06 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 2.34 2.30 0.00 32 A 7.61 4.00 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 33 R 7.18 3.84 0.00 2.08 2.03 0.00 3.13 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 34 N 8.30 4.94 0.00 2.95 2.91 0.00 0.00 6.91 8.24 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 35 I 9.38 3.71 1.94 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 1.55 1.09 0.94 0.00 0.00 36 L 7.75 3.84 0.00 1.64 1.74 0.96 0.91 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 37 R 8.06 3.87 0.00 1.86 1.88 0.00 3.01 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 0.00 38 Y 8.05 5.04 0.00 3.10 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.25 4.69 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 1.31 0.00 0.00 40 N 8.75 5.04 0.00 2.67 1.87 0.00 0.00 6.90 6.68 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 41 K 8.49 4.78 0.00 1.82 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 R 8.36 4.09 0.00 1.77 1.19 0.00 3.08 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 43 G 9.22 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 0.00 0.00 0.00 44 A 10.60 3.17 1.37 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 45 Y 9.23 3.19 0.00 3.23 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 46 F 10.05 3.68 0.00 3.31 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 47 V 7.08 3.38 2.27 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 0.84 0.00 0.00 1.05 0.00 0.00 48 A 8.88 3.72 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 49 K 8.37 4.00 0.00 1.61 1.65 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.48 7.81 50 V 7.42 3.66 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 0.95 0.00 0.00 0.90 0.00 0.00 51 L 9.11 4.50 0.00 2.01 1.65 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.07 3.97 0.00 1.73 1.92 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 2.34 2.41 0.00 53 S 7.91 4.33 0.00 3.80 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 54 A 7.87 4.11 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 55 A 8.52 3.90 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 56 A 9.43 3.80 1.20 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 0.00 0.00 57 N 6.02 3.71 0.00 3.02 2.76 0.00 0.00 7.33 8.48 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 58 A 8.19 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.19 3.24 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 0.81 0.00 0.00 0.92 0.00 0.00 60 N 7.93 4.49 0.00 3.00 2.86 0.00 0.00 6.92 7.90 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 61 N 9.08 5.01 0.00 2.62 2.79 0.00 0.00 6.96 8.04 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 62 H 8.95 4.64 0.00 3.08 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.92 3.75 0.00 2.72 2.62 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 *65 L 8.02 4.05 0.00 1.93 1.70 0.93 0.87 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 66 E 8.78 4.07 0.00 1.92 1.84 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 2.29 2.30 0.00 67 D 9.19 3.64 0.00 3.04 3.02 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 68 R 8.47 3.62 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 L 12.00 5.38 0.00 1.66 1.61 0.94 0.86 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 70 Y 6.81 4.93 0.00 3.39 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 71 V 8.23 4.87 2.18 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 1.17 0.00 0.00 1.19 0.00 0.00 72 K 8.19 4.49 0.00 1.80 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.60 7.81 73 A 7.71 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.57 5.06 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 75 Y 8.84 5.10 0.00 2.99 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 76 V 8.26 4.53 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 0.77 0.00 0.00 0.97 0.00 0.00 77 D 8.38 5.09 0.00 2.68 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 78 E 8.52 4.47 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 79 G 8.66 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 80 P 0.00 3.77 0.00 1.86 1.72 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 81 A 8.10 4.71 1.20 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 0.00 0.00 82 L 8.46 4.48 0.00 1.63 1.57 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 83 K 6.74 4.88 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 84 R 9.53 4.68 0.00 1.76 1.78 0.00 3.71 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 85 V 8.40 4.23 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 0.67 0.00 0.00 0.92 0.00 0.00 86 L 7.86 4.85 0.00 1.69 1.55 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.03 0.00 2.03 2.03 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 88 R 9.40 3.74 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.62 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 89 A 10.60 3.96 1.37 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 90 R 12.00 4.11 0.00 1.99 2.08 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 91 G 7.50 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 0.00 0.00 0.00 0.00 92 R 7.57 4.56 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 93 A 8.35 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.39 4.69 0.00 2.54 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 95 I 8.53 5.06 1.70 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 1.03 0.96 0.88 0.00 0.00 96 I 7.85 4.49 1.85 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 1.33 0.75 0.90 0.00 0.00 97 K 8.29 4.47 0.00 1.59 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 98 K 8.74 4.11 0.00 1.64 1.74 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.39 7.81 99 R 8.67 4.36 0.00 1.64 2.12 0.00 3.35 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 100 T 9.00 3.14 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 1.09 0.00 0.00 101 S 7.37 4.57 0.00 4.02 3.78 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 0.00 102 H 9.71 4.81 0.00 3.26 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.94 4.77 1.90 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 1.29 0.80 0.89 0.00 0.00 104 T 7.78 5.21 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 0.50 0.00 0.00 105 V 7.57 4.68 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 0.72 0.00 0.00 1.00 0.00 0.00 106 I 9.13 4.37 2.12 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 1.12 1.18 0.85 0.00 0.00 107 L 8.38 5.50 0.00 1.60 1.40 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.71 4.31 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 0.00 109 E 8.68 4.42 0.00 1.97 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 2.20 2.30 0.00 110 K 10.57 5.04 0.00 2.07 2.06 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.