NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.7436 8.2233 120.2039 53.5979 41.7447 175.7286 7 W 3.9191 9.1228 128.3409 59.5752 28.8217 176.7567 8 D 4.5895 8.6224 119.1771 56.6281 40.7283 178.1902 9 K 4.2565 8.2183 117.4665 58.0943 32.5701 178.1427 10 T 4.2999 7.8326 108.5907 62.1352 69.8852 175.5928 11 V 3.8561 8.9097 119.1893 65.2568 32.6831 174.8604 12 G 4.3607 7.7631 104.4910 42.6856 0.0000 172.5575 13 A 4.4406 8.2767 122.4875 51.5194 20.3513 178.5692 14 A 3.9799 8.6367 124.9543 55.5030 18.6571 180.2814 15 E 3.9660 8.1551 116.4578 59.6085 29.5678 179.2747 16 D 4.3620 8.0221 118.4414 57.3314 41.0236 178.7163 17 V 3.6385 8.0540 118.9659 65.9801 31.4544 177.8814 18 R 3.9125 8.0764 118.4128 59.6132 29.6936 178.3843 19 R 4.0145 7.7600 116.8149 59.4718 30.3180 178.3648 20 I 3.9238 7.9496 119.6252 64.2959 37.1873 177.6977 21 F 4.0249 8.6462 122.0204 61.7689 38.8304 176.5524 22 E 4.0007 8.7778 118.8702 59.4597 29.1318 177.7506 23 H 4.7480 7.8059 112.4896 54.3762 29.7874 175.3401 24 I 3.7102 7.0247 123.1202 61.2145 37.8244 175.3924 25 P 4.5559 0.0000 0.0000 60.1139 30.0009 175.2267 26 A 4.3799 6.9161 119.9414 51.5545 22.3838 176.3985 27 I 3.9646 7.7566 122.4549 61.5133 37.6849 175.2839 28 L 5.3626 8.7807 126.8680 52.8623 45.4723 176.0140 29 V 4.8334 8.6089 121.9126 60.3179 35.2078 173.6564 30 G 4.4794 9.6658 110.9335 44.4631 0.0000 171.8481 31 L 5.3304 9.1592 122.8807 52.6330 46.1336 175.1330 32 E 4.6465 8.9168 121.6552 55.5787 33.4494 176.4731 33 G 4.2509 9.3772 113.6111 44.0042 0.0000 172.7065 34 P 3.1710 0.0000 0.0000 65.2563 31.2027 176.9826 35 D 4.4165 7.7543 116.0417 53.5200 41.5918 175.9196 36 H 3.8379 7.2613 116.0494 56.9033 26.7814 174.7440 37 R 4.5583 7.9614 118.7359 55.7010 31.9226 178.2295 38 F 4.5171 9.2183 123.0013 58.0733 39.2989 176.2325 39 V 4.3754 8.8505 115.6760 61.4224 34.5565 176.1180 40 A 4.6309 7.7566 121.7560 50.7789 22.2952 175.6323 41 V 5.1461 8.5861 115.2680 59.9026 36.1647 174.6156 42 N 5.3141 8.7020 120.2019 50.4663 40.1349 175.4667 43 A 3.9999 8.5725 119.3264 55.3198 18.2875 179.7576 44 A 4.0033 7.9522 118.9955 55.1824 18.4235 179.0350 45 Y 4.0360 8.5090 118.1348 61.1775 38.8975 178.6985 46 R 4.1541 8.6517 118.7094 58.5820 29.8804 179.0544 47 G 3.6905 7.9437 105.2346 47.1207 0.0000 175.5094 48 F 4.6011 7.9227 122.1927 59.6248 40.2912 175.0616 49 S 4.0463 7.3646 113.4491 55.2511 62.0257 171.3564 50 P 4.6696 0.0000 0.0000 63.7878 31.5775 177.4293 51 L 4.2937 7.6143 118.0208 53.9667 39.8467 175.4134 52 L 4.4136 7.7228 120.9218 54.7354 43.0107 176.4248 53 D 4.4986 8.1286 121.3897 54.0186 42.7232 174.5124 54 T 4.0659 8.0119 114.7138 62.6220 70.0364 176.1481 55 V 3.9604 7.5125 122.1273 64.1630 31.7187 175.5031 56 G 4.1006 9.1845 116.3187 45.2475 0.0000 173.3107 57 Q 4.6836 7.9456 118.8055 53.1830 31.1170 173.5022 58 P 4.6490 0.0000 0.0000 62.3352 32.3364 177.3768 59 A 4.4946 8.6255 124.3323 55.7749 18.1179 180.4815 60 R 3.5854 7.8297 115.8980 59.4072 29.8496 178.7160 61 E 4.0617 7.9435 118.1157 58.3825 29.6803 178.2900 62 V 4.0054 7.7209 117.3605 61.6872 33.3201 175.6186 63 Y 5.1123 7.7141 116.9385 54.6054 37.5666 174.2657 64 P 4.6551 0.0000 0.0000 64.0656 32.3901 177.5760 65 E 4.2892 8.2673 116.8009 57.6440 29.3658 177.3194 66 L 4.6480 7.8030 118.1651 54.7257 41.5179 178.4634 67 E 4.4877 8.4896 121.7192 59.5995 29.6773 179.6251 68 G 3.6792 8.1379 106.4040 48.5754 0.0000 174.8199 69 Q 3.9570 7.5887 118.5657 56.8712 29.1802 176.0842 70 Q 3.4834 7.5388 115.4709 56.9856 26.8072 174.8741 71 I 4.0360 7.4844 118.0706 64.5250 38.0179 178.0262 72 Y 4.3485 7.5557 117.7633 60.8311 38.1805 177.4820 73 E 3.9301 8.3124 116.6478 57.2924 29.4949 177.8195 *75 L 4.2851 7.9485 119.2229 54.6809 43.9011 178.9007 76 D 4.5403 8.2697 118.3923 57.3450 40.6352 178.6245 77 R 3.9329 8.1054 119.2423 59.6100 30.0796 178.6833 78 V 3.8706 7.7922 118.7257 65.6912 31.3632 177.2322 79 Y 4.0628 8.0014 118.2925 60.7501 38.7510 177.4603 80 Q 4.0846 8.7392 118.6928 58.6442 28.9945 177.8012 81 T 4.3339 8.1659 109.0118 61.1553 69.8700 176.1459 82 G 3.8926 8.0100 108.3548 45.2316 0.0000 173.1053 83 E 4.2115 8.0021 121.0306 55.1266 29.9492 174.5990 84 P 4.7282 0.0000 0.0000 62.6721 32.4885 175.8018 85 Q 4.7423 8.7230 120.5335 54.2597 32.3913 174.6510 86 S 4.8272 8.6701 118.2401 56.6040 65.9619 173.6390 87 G 3.5635 7.1238 109.1041 44.2287 0.0000 171.3740 88 S 5.7806 8.5214 116.3838 56.0056 65.9520 174.0394 89 E 4.0935 9.2450 122.9531 57.2648 27.2564 175.0351 90 W 4.6129 8.7242 118.9816 56.7968 30.1452 177.1968 91 R 5.0717 8.6077 121.4663 55.3293 30.6225 175.7558 92 L 4.8754 7.8722 118.4144 53.6993 45.9000 175.0000 93 Q 4.5562 8.5049 117.6828 54.5833 31.3235 176.1316 94 T 4.1990 8.3582 112.7146 61.8346 69.8323 173.7487 95 D 4.7724 8.3384 118.9347 54.7406 41.6500 176.7752 *103 E 4.1364 7.8358 119.2047 56.2768 29.4495 174.9115 104 R 4.7416 7.6499 120.6133 54.2390 35.3994 173.4458 105 Y 5.2217 8.6083 118.2585 56.3213 42.1729 174.7007 106 F 5.3767 9.1748 120.7263 55.9712 43.1372 173.9165 107 D 5.2959 9.1509 123.8720 53.9052 42.6289 175.4959 108 F 5.3098 8.0258 115.4124 55.8508 42.0235 173.0498 109 V 4.7261 8.7368 119.8157 61.1853 34.5700 174.1651 110 V 5.0235 9.0933 128.5566 61.3295 34.0859 174.4165 111 T 5.1135 8.5571 117.3331 58.9599 72.2429 171.6950 112 P 4.9907 0.0000 0.0000 62.7989 32.9391 175.2829 113 R 4.6107 9.2953 121.1713 54.7999 32.3238 174.4905 114 R 5.0586 8.5905 125.2212 54.7548 32.3734 176.7771 115 R 4.2945 8.9827 122.1365 54.9979 31.3183 177.5017 116 A 4.0154 8.5538 121.5736 55.4663 18.2123 178.3621 117 D 4.4570 8.0102 112.7134 54.0796 39.9159 177.3038 118 G 3.9394 8.2934 109.3408 45.2519 0.0000 173.9848 119 S 4.3724 8.4720 115.0177 57.5908 64.1451 173.1994 120 I 4.6600 7.9107 122.6822 60.0915 37.8997 175.7631 121 E 4.3792 9.0370 124.1842 56.8328 30.7477 175.8177 122 G 4.2635 6.9568 103.8668 46.5413 0.0000 171.9534 123 V 5.3293 7.8056 111.4444 59.7497 36.4203 174.8251 124 Q 5.0034 8.7615 118.6185 54.9515 32.3823 173.6846 125 L 5.3487 9.0447 119.1768 53.0946 46.7715 175.1412 126 I 4.7632 8.4576 121.1365 59.2574 40.4718 174.3296 127 V 5.0055 8.6987 128.7484 61.0932 34.7596 173.5353 128 D 5.0525 9.4967 126.3270 52.4193 44.4297 173.7586 129 D 4.6268 8.8991 125.8923 53.3090 41.9954 176.0335 130 V 4.4364 8.3878 120.2978 61.1842 32.8039 178.0969 131 T 3.9858 7.9716 119.9864 67.0276 68.0045 176.3231 132 S 4.0882 8.0277 116.4705 61.5529 62.6448 176.5974 133 R 3.8275 7.7739 119.8138 59.3148 29.9880 178.4149 134 V 3.4840 7.2030 116.2143 66.1006 31.8929 177.9943 135 R 4.0372 8.5679 117.7382 58.7548 29.7733 178.1486 136 A 4.5896 7.5954 121.3281 51.8614 18.7402 177.3847 137 R 4.3549 7.8441 115.7581 57.6361 30.3582 176.4013 138 Q 3.5665 8.1805 122.2069 57.6581 30.1380 173.4012 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 6 D 8.22 4.74 0.00 2.74 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 7 W 9.12 3.92 0.00 3.45 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 8 D 8.62 4.59 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 9 K 8.22 4.26 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 T 7.83 4.30 4.11 0.00 0.00 0.00 0.00 0.00 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 11 V 8.91 3.86 2.23 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 0.82 0.00 0.00 0.31 0.00 0.00 12 G 7.76 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 0.00 0.00 0.00 0.00 13 A 8.28 4.44 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 14 A 8.64 3.98 1.33 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 0.00 0.00 15 E 8.16 3.97 0.00 2.04 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 2.41 2.41 0.00 16 D 8.02 4.36 0.00 2.97 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 17 V 8.05 3.64 2.15 0.00 0.00 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 0.00 0.00 1.06 0.00 0.00 18 R 8.08 3.91 0.00 1.92 2.09 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 19 R 7.76 4.01 0.00 2.06 2.16 0.00 3.34 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 20 I 7.95 3.92 2.08 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 1.71 0.84 0.97 0.00 0.00 21 F 8.65 4.02 0.00 3.19 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 22 E 8.78 4.00 0.00 2.24 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 2.31 2.25 0.00 23 H 7.81 4.75 0.00 3.20 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.02 3.71 1.78 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 1.53 0.69 0.85 0.00 0.00 25 P 0.00 4.56 0.00 2.17 2.09 0.00 3.79 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 1.97 1.96 0.00 26 A 6.92 4.38 1.18 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 0.00 0.00 27 I 7.76 3.96 1.95 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.87 0.00 0.00 28 L 8.78 5.36 0.00 1.31 1.15 0.86 0.35 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 29 V 8.61 4.83 1.68 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 0.73 0.00 0.00 0.82 0.00 0.00 30 G 9.67 4.48 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 0.00 31 L 9.16 5.33 0.00 1.44 1.37 0.74 -0.14 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 32 E 8.92 4.65 0.00 1.91 1.68 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 2.18 2.40 0.00 33 G 9.38 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 0.00 0.00 0.00 0.00 34 P 0.00 3.17 0.00 2.05 2.16 0.00 3.64 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 1.87 1.96 0.00 35 D 7.75 4.42 0.00 2.57 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 36 H 7.26 3.84 0.00 3.18 3.15 0.00 5.61 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 37 R 7.96 4.56 0.00 1.83 1.85 0.00 3.09 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 38 F 9.22 4.52 0.00 3.15 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 39 V 8.85 4.38 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 0.68 0.00 0.00 0.92 0.00 0.00 40 A 7.76 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.59 5.15 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 0.52 0.00 0.00 0.99 0.00 0.00 42 N 8.70 5.31 0.00 2.77 2.35 0.00 0.00 6.76 7.04 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 43 A 8.57 4.00 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 44 A 7.95 4.00 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 45 Y 8.51 4.04 0.00 3.36 3.26 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 46 R 8.65 4.15 0.00 1.97 2.03 0.00 3.23 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 47 G 7.94 3.69 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 48 F 7.92 4.60 0.00 2.97 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 49 S 7.36 4.05 0.00 2.72 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 50 P 0.00 4.67 0.00 2.04 2.06 0.00 3.65 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 51 L 7.61 4.29 0.00 1.66 1.64 0.96 0.88 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 52 L 7.72 4.41 0.00 1.60 1.56 0.91 0.84 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 53 D 8.13 4.50 0.00 2.59 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 54 T 8.01 4.07 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 0.34 0.00 0.00 55 V 7.51 3.96 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 0.81 0.00 0.00 0.95 0.00 0.00 56 G 9.18 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 57 Q 7.95 4.68 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 58 P 0.00 4.65 0.00 2.14 2.04 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 59 A 8.63 4.49 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.83 3.59 0.00 1.62 1.78 0.00 2.74 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 61 E 7.94 4.06 0.00 1.97 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 2.29 2.28 0.00 62 V 7.72 4.01 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 0.74 0.00 0.00 0.37 0.00 0.00 63 Y 7.71 5.11 0.00 3.27 2.96 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 64 P 0.00 4.66 0.00 2.08 2.13 0.00 3.79 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 65 E 8.27 4.29 0.00 2.13 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 2.43 2.45 0.00 66 L 7.80 4.65 0.00 1.89 1.51 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.49 4.49 0.00 2.08 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 2.64 2.31 0.00 68 G 8.14 3.68 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 69 Q 7.59 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 70 Q 7.54 3.48 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 71 I 7.48 4.04 1.36 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.49 0.56 0.00 0.00 72 Y 7.56 4.35 0.00 3.08 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 73 E 8.31 3.93 0.00 2.33 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 0.00 2.47 2.42 0.00 *75 L 7.95 4.29 0.00 1.76 1.33 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.27 4.54 0.00 3.03 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 77 R 8.11 3.93 0.00 2.13 2.01 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 78 V 7.79 3.87 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 1.17 0.00 0.00 1.03 0.00 0.00 79 Y 8.00 4.06 0.00 3.16 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 80 Q 8.74 4.08 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 81 T 8.17 4.33 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 1.26 0.00 0.00 82 G 8.01 3.89 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 0.00 83 E 8.00 4.21 0.00 2.09 1.91 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 2.34 2.29 0.00 84 P 0.00 4.73 0.00 1.93 2.06 0.00 3.62 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 2.03 2.12 0.00 85 Q 8.72 4.74 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 86 S 8.67 4.83 0.00 3.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.12 3.56 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 0.00 0.00 0.00 88 S 8.52 5.78 0.00 3.80 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 89 E 9.24 4.09 0.00 2.22 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 2.24 2.37 0.00 90 W 8.72 4.61 0.00 3.57 3.32 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 91 R 8.61 5.07 0.00 1.33 1.27 0.00 2.62 0.00 0.00 3.97 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.00 92 L 7.87 4.88 0.00 1.70 1.65 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.50 4.56 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 94 T 8.36 4.20 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 1.25 0.00 0.00 95 D 8.34 4.77 0.00 2.62 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 *103 E 7.84 4.14 0.00 1.88 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 0.00 2.20 2.34 0.00 104 R 7.65 4.74 0.00 1.80 1.55 0.00 3.20 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 105 Y 8.61 5.22 0.00 2.79 2.79 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 0.00 0.00 0.00 0.00 106 F 9.17 5.38 0.00 3.21 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 0.00 107 D 9.15 5.30 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 5.31 0.00 3.09 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 0.00 109 V 8.74 4.73 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 0.91 0.00 0.00 0.86 0.00 0.00 110 V 9.09 5.02 2.14 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 1.00 0.00 0.00 1.01 0.00 0.00 111 T 8.56 5.11 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 1.22 0.00 0.00 112 P 0.00 4.99 0.00 2.10 2.26 0.00 3.72 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 1.99 2.09 0.00 113 R 9.30 4.61 0.00 2.03 1.91 0.00 3.35 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 114 R 8.59 5.06 0.00 1.74 1.83 0.00 3.25 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 115 R 8.98 4.29 0.00 2.00 1.87 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 116 A 8.55 4.02 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 0.00 117 D 8.01 4.46 0.00 2.80 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 0.00 118 G 8.29 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 0.00 0.00 0.00 119 S 8.47 4.37 0.00 3.96 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 0.00 120 I 7.91 4.66 1.45 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.80 0.00 0.00 121 E 9.04 4.38 0.00 2.17 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 0.00 2.40 2.29 0.00 122 G 6.96 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 0.00 123 V 7.81 5.33 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 0.93 0.00 0.00 0.95 0.00 0.00 124 Q 8.76 5.00 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 125 L 9.04 5.35 0.00 1.59 1.54 0.85 0.78 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 0.00 126 I 8.46 4.76 1.88 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 1.11 1.64 0.92 0.00 0.00 127 V 8.70 5.01 1.81 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 0.56 0.00 0.00 0.78 0.00 0.00 128 D 9.50 5.05 0.00 2.76 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 0.00 0.00 0.00 0.00 129 D 8.90 4.63 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.44 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 1.00 0.00 0.00 1.01 0.00 0.00 131 T 7.97 3.99 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 1.29 0.00 0.00 132 S 8.03 4.09 0.00 3.84 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 0.00 133 R 7.77 3.83 0.00 1.76 2.09 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 134 V 7.20 3.48 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.62 0.00 0.00 135 R 8.57 4.04 0.00 1.98 1.99 0.00 3.21 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 136 A 7.60 4.59 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 0.00 137 R 7.84 4.35 0.00 1.86 2.00 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 138 Q 8.18 3.57 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.