NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1800 8.3144 120.1281 56.1893 32.5336 174.4982 3 K 4.3556 8.5450 125.9428 53.3242 33.6898 169.5698 4 V 3.8672 9.2846 128.5249 63.1582 32.2795 175.3772 5 V 4.2251 8.5518 121.2600 62.4914 33.0219 176.1239 6 A 4.5034 7.4055 120.0169 50.4567 22.6803 175.4278 7 V 4.5212 8.2358 120.1217 61.1947 33.9224 174.8614 8 V 4.1692 8.8905 129.5157 61.3809 33.0756 174.4717 9 K 5.0136 8.5874 127.5379 54.8656 33.6782 175.6169 10 L 4.9182 8.9856 124.4346 52.8803 46.2591 175.3958 11 Q 5.0763 8.5091 118.2430 54.3356 31.7931 175.0246 12 L 4.8936 8.9386 122.9389 52.0365 46.5975 174.0096 13 P 4.8775 0.0000 0.0000 61.8653 32.6509 176.0273 14 A 4.0282 8.9816 127.5695 54.1048 18.5321 178.1483 15 G 3.9718 8.9291 110.7709 45.9397 0.0000 173.9402 16 K 4.6305 8.1678 117.6374 55.6298 33.4619 176.3944 17 A 4.0467 8.6088 122.1278 52.6470 18.6844 177.8242 18 T 4.7524 7.8805 109.9677 59.1286 71.8537 172.3485 19 P 4.3244 0.0000 0.0000 63.6185 31.8842 176.6945 20 A 4.1175 7.5031 122.1002 50.7777 19.0231 175.0726 21 P 4.5074 0.0000 0.0000 62.4533 31.9039 175.4929 22 P 4.4219 0.0000 0.0000 64.1593 32.5012 178.3922 23 V 3.4582 7.9487 119.3178 66.2190 31.3450 177.2662 24 G 3.8161 8.0863 106.3844 46.9454 0.0000 173.6873 25 P 4.1758 0.0000 0.0000 64.9488 31.2411 178.3623 26 A 3.8641 7.7038 119.7650 54.8699 18.6134 179.1944 27 L 4.0862 7.8844 117.4370 57.4019 41.8699 179.7345 28 G 3.6071 8.2196 105.8785 47.6863 0.0000 175.3840 29 Q 3.9753 7.7783 120.8489 58.4552 28.9956 177.1760 30 H 4.8921 7.7881 114.0472 54.7097 29.6246 174.7990 31 G 3.8639 7.8865 108.5190 45.6090 0.0000 174.1315 32 A 4.4627 7.5887 121.0065 51.0095 19.0225 178.9352 33 N 4.6013 8.8450 119.0676 53.3883 38.0342 175.6383 34 I 3.6301 8.1931 128.2442 64.5912 37.4517 177.5471 35 M 4.0562 8.1147 118.2406 58.3619 32.0781 177.5153 36 E 4.0269 8.6937 119.6493 59.2914 29.8571 178.4372 37 F 4.2522 8.5613 120.6499 61.4131 39.3734 176.9330 38 V 3.3140 8.0487 117.9148 66.0636 31.2876 178.0986 39 K 3.9237 8.1424 117.5941 59.4737 31.9652 179.3274 40 A 4.0636 8.2160 121.1770 54.9987 18.3168 179.3470 41 F 3.6470 8.0745 119.4485 61.5230 38.4734 177.2222 42 N 4.2552 8.3362 115.8007 56.0551 38.0467 177.3788 43 A 4.2093 7.8520 121.4930 54.9243 18.5958 179.1280 44 A 4.2128 7.9592 117.7880 53.7249 18.5617 178.1216 45 T 4.3564 6.8989 106.1050 61.1236 69.2021 175.3468 46 A 4.1125 7.4541 128.5584 55.5617 18.6540 179.8197 47 N 4.4469 8.1010 112.9017 55.7685 37.6425 175.6624 48 M 4.2727 7.7762 114.7387 54.4824 32.2374 176.2722 49 G 3.8520 8.0092 108.4810 44.5951 0.0000 172.7047 50 D 4.6393 8.8459 123.9806 53.5528 39.2348 174.8727 51 A 3.8708 7.5457 120.9258 51.4572 19.7211 176.6768 52 I 4.1286 6.8623 120.6851 60.8490 38.7755 175.1261 53 V 4.4820 9.0242 127.6721 60.3099 33.5943 172.9556 54 P 4.9953 0.0000 0.0000 62.6561 32.5157 176.0312 55 V 5.1344 9.2502 123.6176 59.9785 35.3844 173.8989 56 E 5.0263 9.5725 124.8194 54.6944 32.3231 174.3165 57 I 4.9853 8.9756 129.0807 60.1572 39.4419 174.8349 58 T 4.8564 9.0104 124.8238 61.9904 70.4169 173.7739 59 I 4.9089 8.3519 127.3258 59.7596 40.6921 174.9852 60 Y 5.0978 9.0538 123.7913 56.1784 40.4681 176.5459 61 A 4.1826 8.3395 119.6812 54.3450 18.5410 178.1283 62 D 4.7573 8.2493 113.6623 53.0539 39.6582 177.5182 63 R 4.2858 8.1787 119.7437 56.0810 29.3533 176.2295 64 S 4.6168 8.1782 113.1452 58.7395 64.3429 173.0344 65 F 5.6827 8.0674 114.4859 56.5993 40.6098 172.7443 66 T 5.1230 9.3289 109.3978 60.3303 72.5852 172.4211 67 F 5.6815 8.4152 115.4499 55.6433 41.3249 173.7408 68 V 4.5806 8.9639 119.7001 61.4725 34.5862 174.6973 69 T 5.2016 8.7616 117.1682 60.6750 71.1614 173.2932 70 K 4.9419 8.7048 122.0044 54.4285 36.0557 176.0951 71 T 4.1015 8.4456 110.5235 60.9767 69.3515 172.6787 72 P 4.5530 0.0000 0.0000 61.3472 32.0970 175.0791 73 P 4.3235 0.0000 0.0000 63.1577 33.1321 177.5863 74 A 4.0842 8.6757 122.7970 55.3490 18.4179 180.4077 75 S 4.0823 8.0910 112.4334 61.7012 62.8953 175.9008 76 Y 4.0635 8.0788 122.6570 60.4183 38.5087 178.0738 77 L 3.9473 7.7728 119.8981 57.7233 41.8316 179.1733 78 I 3.6594 7.8401 119.8514 64.8050 37.0963 178.7554 79 R 3.9044 7.9675 118.4447 58.8683 29.6457 179.2124 80 K 3.7099 7.7746 119.4298 59.3643 32.0235 178.8272 81 A 4.0442 7.9691 119.1963 54.2056 18.3793 178.5039 82 A 4.3105 7.7011 117.6660 51.9538 19.0743 178.1631 83 G 3.7013 7.4775 104.9970 45.7043 0.0000 173.9137 84 L 4.2400 7.8920 120.4004 53.7449 41.0510 176.2345 85 E 4.7608 8.2777 121.1293 53.7511 32.6677 175.7725 86 K 4.1898 8.3318 119.2653 57.2413 33.6965 176.5514 87 G 3.8098 8.3542 105.9213 46.3750 0.0000 172.9949 *89 H 4.5933 7.7666 114.7127 55.5885 30.0832 172.5558 90 K 4.4287 8.1028 118.1864 54.9069 34.5292 173.0891 91 P 4.3118 0.0000 0.0000 63.8878 32.2831 178.1665 92 G 3.8156 8.5398 107.6085 44.4111 0.0000 172.7958 93 R 3.9534 8.5418 119.0503 56.8324 30.5393 175.7068 94 E 4.7789 8.4223 119.2285 54.2455 32.7192 175.3023 95 K 4.3003 8.3232 119.6158 55.4888 33.3325 177.1469 96 V 3.9317 8.1532 122.2802 62.8609 33.0959 174.7754 97 G 4.3539 8.4739 108.0928 45.0482 0.0000 173.0428 98 R 5.6120 7.8763 115.9289 55.5502 32.6565 174.3564 *102 E 3.9731 8.7914 120.8971 57.4831 28.8783 175.0740 103 Q 4.5735 8.0830 122.4460 54.5073 28.8878 176.9001 104 V 3.5952 7.7908 121.3136 66.9919 31.7913 178.3691 105 L 4.0253 8.0331 119.6359 57.7292 41.6355 179.1466 106 E 4.1603 8.0522 114.8312 58.8453 29.7906 178.6266 107 I 3.8895 7.4596 120.4230 63.9078 36.5382 178.0981 108 A 4.0560 7.7554 121.8259 54.8953 18.0372 179.0648 109 K 4.2337 7.5552 112.6974 57.6683 32.2522 178.5517 110 Q 4.3380 7.5931 118.2556 57.6259 29.3754 176.5569 111 K 4.4243 7.6494 115.7086 56.4867 32.2575 177.4082 112 M 4.0523 7.2955 119.9864 56.2036 31.5948 175.5662 113 P 4.4304 0.0000 0.0000 61.8169 31.1385 175.6650 *120 L 4.3188 8.0677 127.9881 54.6813 43.9626 175.4959 121 E 4.6645 7.6797 113.5902 54.0708 32.4636 173.9554 122 A 4.0002 8.5634 121.7286 52.8248 18.7886 177.7911 123 A 4.3622 9.0133 128.6819 56.7457 19.9322 180.3334 124 A 3.1533 7.4589 115.4685 54.4158 20.1496 179.5417 125 R 4.0499 9.0395 124.4895 57.2970 31.4418 175.5244 126 M 5.2305 7.7195 116.3406 55.0542 32.9483 175.1034 127 I 4.5942 8.1131 118.0278 62.0495 43.7694 178.0903 128 A 4.1223 8.1914 121.8332 55.0164 18.2292 179.4967 129 G 3.9621 7.9119 104.3839 46.4949 0.0000 176.1167 130 S 4.1771 7.9174 116.4622 61.5010 62.6869 175.8954 131 A 4.1408 7.9193 123.1103 55.1845 17.9933 179.9412 132 R 4.3146 7.9130 116.2824 59.0625 29.8858 178.5137 133 S 4.5470 7.6657 111.7969 59.3360 62.7611 174.7147 134 M 4.7388 7.8046 121.8024 54.3601 33.2957 175.4412 135 G 3.9386 7.7869 107.4311 43.7821 0.0000 172.4695 136 V 4.3703 9.2620 126.9351 61.0578 33.0969 175.5811 137 E 4.2635 9.4120 127.6803 56.3654 30.5857 175.9385 138 V 4.5097 8.3124 122.8324 61.6710 33.5080 175.1491 139 V 4.1003 8.6235 125.2367 64.3602 32.4475 178.0925 140 G 4.1213 7.6774 106.3916 44.8934 0.0000 172.9734 141 A 4.2866 8.0692 127.9002 52.1244 18.3781 178.3239 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 K 8.31 4.18 0.00 1.61 1.25 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.23 7.81 3 K 8.54 4.36 0.00 1.90 1.72 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.53 7.81 4 V 9.28 3.87 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 0.63 0.00 0.00 0.91 0.00 0.00 5 V 8.55 4.23 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 0.76 0.00 0.00 0.92 0.00 0.00 6 A 7.41 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.24 4.52 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 0.80 0.00 0.00 0.86 0.00 0.00 8 V 8.89 4.17 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 0.57 0.00 0.00 0.88 0.00 0.00 9 K 8.59 5.01 0.00 1.64 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 L 8.99 4.92 0.00 1.44 1.42 0.64 0.64 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 11 Q 8.51 5.08 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 L 8.94 4.89 0.00 1.17 1.29 0.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.88 0.00 2.11 1.98 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 A 8.98 4.03 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 15 G 8.93 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 16 K 8.17 4.63 0.00 1.74 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.41 7.81 17 A 8.61 4.05 1.09 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 0.00 0.00 0.00 0.00 0.00 18 T 7.88 4.75 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 19 P 0.00 4.32 0.00 2.19 2.12 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 20 A 7.50 4.12 1.25 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 21 P 0.00 4.51 0.00 2.02 1.96 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 P 0.00 4.42 0.00 2.12 2.23 0.00 3.63 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 1.95 1.87 0.00 23 V 7.95 3.46 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 1.04 0.00 0.00 0.91 0.00 0.00 24 G 8.09 3.82 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 0.00 0.00 0.00 25 P 0.00 4.18 0.00 2.22 2.27 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 26 A 7.70 3.86 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 27 L 7.88 4.09 0.00 1.69 1.48 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.22 3.61 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 0.00 0.00 0.00 29 Q 7.78 3.98 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 30 H 7.79 4.89 0.00 3.12 3.23 0.00 5.77 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 31 G 7.89 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 A 7.59 4.46 1.12 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 0.00 0.00 0.00 0.00 0.00 33 N 8.85 4.60 0.00 2.96 3.13 0.00 0.00 7.07 7.85 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 34 I 8.19 3.63 1.87 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 1.45 0.70 0.91 0.00 0.00 35 M 8.11 4.06 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 36 E 8.69 4.03 0.00 2.30 2.46 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 2.44 2.63 0.00 37 F 8.56 4.25 0.00 2.73 3.09 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 0.00 0.00 0.00 38 V 8.05 3.31 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 0.99 0.00 0.00 1.04 0.00 0.00 39 K 8.14 3.92 0.00 2.01 1.86 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 40 A 8.22 4.06 1.63 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 0.00 0.00 41 F 8.07 3.65 0.00 1.58 2.48 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 42 N 8.34 4.26 0.00 2.83 2.83 0.00 0.00 6.97 7.08 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 43 A 7.85 4.21 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 44 A 7.96 4.21 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 45 T 6.90 4.36 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 0.51 0.00 0.00 46 A 7.45 4.11 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 47 N 8.10 4.45 0.00 2.82 2.94 0.00 0.00 6.06 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 48 M 7.78 4.27 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 49 G 8.01 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 0.00 0.00 0.00 50 D 8.85 4.64 0.00 2.94 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 51 A 7.55 3.87 1.17 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 0.00 0.00 52 I 6.86 4.13 1.52 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 1.10 0.19 0.90 0.00 0.00 53 V 9.02 4.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.95 0.00 0.00 54 P 0.00 5.00 0.00 2.16 1.99 0.00 3.80 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 2.29 2.10 0.00 55 V 9.25 5.13 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 0.94 0.00 0.00 1.44 0.00 0.00 56 E 9.57 5.03 0.00 2.07 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 2.21 2.26 0.00 57 I 8.98 4.99 1.60 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.19 0.68 0.00 0.00 58 T 9.01 4.86 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 0.88 0.00 0.00 59 I 8.35 4.91 1.72 0.00 0.00 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 1.20 0.76 0.94 0.00 0.00 60 Y 9.05 5.10 0.00 3.02 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 61 A 8.34 4.18 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 62 D 8.25 4.76 0.00 2.82 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 63 R 8.18 4.29 0.00 2.13 2.54 0.00 3.17 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 64 S 8.18 4.62 0.00 3.94 4.03 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 65 F 8.07 5.68 0.00 3.18 3.07 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 0.00 0.00 0.00 66 T 9.33 5.12 4.29 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 1.28 0.00 0.00 67 F 8.42 5.68 0.00 3.40 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 68 V 8.96 4.58 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 1.12 0.00 0.00 0.93 0.00 0.00 69 T 8.76 5.20 4.37 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 1.58 0.00 0.00 70 K 8.70 4.94 0.00 1.62 1.79 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.43 7.81 71 T 8.45 4.10 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 1.23 0.00 0.00 72 P 0.00 4.55 0.00 2.23 1.97 0.00 3.81 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 73 P 0.00 4.32 0.00 2.25 2.05 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 74 A 8.68 4.08 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 75 S 8.09 4.08 0.00 4.10 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 76 Y 8.08 4.06 0.00 3.13 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 77 L 7.77 3.95 0.00 1.88 1.72 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.84 3.66 1.86 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 1.52 0.80 0.90 0.00 0.00 79 R 7.97 3.90 0.00 1.80 1.89 0.00 3.13 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 80 K 7.77 3.71 0.00 1.57 1.59 0.00 1.24 0.00 0.00 1.17 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.36 7.81 81 A 7.97 4.04 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 82 A 7.70 4.31 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 83 G 7.48 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 0.00 0.00 0.00 84 L 7.89 4.24 0.00 1.78 1.64 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.28 4.76 0.00 2.00 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 2.12 2.22 0.00 86 K 8.33 4.19 0.00 1.90 1.86 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 87 G 8.35 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 H 7.77 4.59 0.00 3.17 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.10 4.43 0.00 1.65 1.63 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.48 7.81 91 P 0.00 4.31 0.00 2.08 1.97 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 92 G 8.54 3.82 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 0.00 0.00 0.00 93 R 8.54 3.95 0.00 1.81 1.92 0.00 3.32 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 94 E 8.42 4.78 0.00 2.03 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 2.17 2.29 0.00 95 K 8.32 4.30 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.42 7.81 96 V 8.15 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 97 G 8.47 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 98 R 7.88 5.61 0.00 1.82 1.90 0.00 2.67 0.00 0.00 3.80 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 *102 E 8.79 3.97 0.00 1.97 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 2.19 2.31 0.00 103 Q 8.08 4.57 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.70 0.00 0.00 0.00 0.00 0.00 2.30 1.90 0.00 104 V 7.79 3.60 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 0.93 0.00 0.00 0.93 0.00 0.00 105 L 8.03 4.03 0.00 1.75 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.05 4.16 0.00 2.06 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 2.28 2.39 0.00 107 I 7.46 3.89 2.00 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 1.47 0.92 0.93 0.00 0.00 108 A 7.76 4.06 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 0.00 109 K 7.56 4.23 0.00 1.77 1.87 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 110 Q 7.59 4.34 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 111 K 7.65 4.42 0.00 1.76 1.85 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.42 7.81 112 M 7.30 4.05 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.48 0.00 113 P 0.00 4.43 0.00 2.16 2.10 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 *120 L 8.07 4.32 0.00 1.66 1.78 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.68 4.66 0.00 2.06 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 2.16 2.27 0.00 122 A 8.56 4.00 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 0.00 123 A 9.01 4.36 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 0.00 124 A 7.46 3.15 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 0.00 125 R 9.04 4.05 0.00 1.86 1.95 0.00 3.12 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 126 M 7.72 5.23 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 127 I 8.11 4.59 1.88 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 1.24 0.76 0.92 0.00 0.00 128 A 8.19 4.12 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 0.00 129 G 7.91 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 0.00 130 S 7.92 4.18 0.00 4.03 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 0.00 131 A 7.92 4.14 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 0.00 132 R 7.91 4.31 0.00 1.85 1.99 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 133 S 7.67 4.55 0.00 3.97 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 0.00 134 M 7.80 4.74 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 135 G 7.79 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 0.00 136 V 9.26 4.37 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 0.79 0.00 0.00 0.92 0.00 0.00 137 E 9.41 4.26 0.00 1.88 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 2.32 2.40 0.00 138 V 8.31 4.51 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 0.76 0.00 0.00 0.93 0.00 0.00 139 V 8.62 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 0.86 0.00 0.00 0.93 0.00 0.00 140 G 7.68 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.07 4.29 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.