NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5206 8.1927 115.5567 57.8786 65.3404 171.6648 1 L 4.6968 8.4539 122.0285 53.3545 42.5541 174.7424 2 I 4.8522 9.8024 120.2605 59.1135 41.9753 173.4816 3 L 5.2793 8.8138 123.7930 53.1681 44.3159 175.3840 4 V 4.8386 9.0002 124.4290 61.3621 33.9316 173.5448 5 Y 5.0483 8.6212 129.4341 56.2686 41.0640 174.1629 6 S 5.2647 8.2123 119.0504 57.6121 66.7050 172.3752 7 T 4.8505 7.7685 111.6604 59.7767 71.5758 173.0642 8 F 4.5902 9.1272 120.8554 54.9228 43.1671 174.3945 9 P 4.4189 0.0000 0.0000 65.4034 31.7155 176.0372 10 N 4.9621 7.5980 115.4710 50.6912 41.0968 174.7634 11 E 2.5400 8.0555 120.3138 58.8360 29.3744 178.3120 12 E 3.6938 7.6884 118.1589 59.1878 29.5309 179.1399 13 K 3.7058 8.6549 119.8767 59.0720 32.1517 178.8136 14 A 2.5800 7.2756 120.5917 54.7573 18.1904 179.6947 15 L 3.4813 7.5824 117.6806 57.5840 41.5243 179.4236 16 E 3.7842 8.1300 119.6780 59.2064 29.4741 178.9866 17 I 3.6023 7.5344 120.0751 64.0340 37.0881 178.6040 18 G 3.0708 7.6161 106.7210 47.6345 0.0000 175.6192 19 R 4.0221 8.0784 121.7361 59.1308 30.0700 178.7314 20 K 4.0948 8.2000 118.4184 59.5121 32.0079 179.3757 21 L 3.9640 8.1242 119.5081 57.6687 41.4655 179.5737 22 L 4.0685 8.2037 119.1214 57.7278 41.3179 179.2978 23 E 4.0005 8.2101 118.1536 59.1183 29.5151 178.7626 24 K 4.1745 7.8881 115.6052 55.8394 32.6095 176.9013 25 R 3.8461 7.7490 117.3434 57.2819 28.0169 177.2457 26 L 4.3568 8.0094 118.7054 55.6175 42.4869 177.2409 27 I 4.7103 7.3361 109.5918 58.8479 40.6542 174.7605 28 A 4.2229 8.8075 123.9270 54.4543 19.4760 176.9235 29 C 4.9894 7.6805 108.1875 58.0227 32.4890 172.8524 30 F 5.5433 8.4245 113.2581 55.2990 41.1285 173.7026 31 N 5.1750 9.3805 116.8951 51.6074 41.5687 173.4420 32 A 5.5213 9.0183 124.9963 50.4261 22.4910 174.8071 33 F 4.6699 8.6126 113.6120 55.3368 41.6244 173.2675 34 E 3.3159 7.4966 121.9563 55.7702 30.2381 175.6780 35 I 4.7636 8.4316 118.7055 59.3289 41.6318 173.9533 36 R 5.1700 8.5681 121.8404 54.7703 32.1298 175.5966 37 S 4.9102 9.0690 116.6324 56.8544 67.1922 172.8739 38 G 4.8452 8.3720 106.4155 44.9734 0.0000 171.3096 39 Y 4.8763 7.4823 119.3884 55.9589 41.0041 172.7873 40 W 4.9965 9.2331 120.0407 56.1778 30.6108 176.4826 41 W 5.3001 9.7367 133.7162 57.2928 33.0357 174.8790 42 K 3.2482 9.1598 126.5015 57.4503 29.0387 176.1513 43 G 4.1132 8.6989 103.9574 45.5282 0.0000 173.4267 44 E 4.8829 8.1505 118.4301 54.2584 33.9177 174.9069 45 I 3.8987 7.6755 122.8652 60.7118 38.1605 175.7529 46 V 4.3832 8.4087 119.9075 59.4712 35.2995 174.4506 47 Q 4.9365 8.3393 121.1255 54.3097 31.1052 174.3990 48 D 4.9060 9.1753 122.0387 52.6075 45.8473 173.7266 49 K 5.0352 8.6368 120.3117 54.7604 34.7572 175.4662 50 E 5.0320 9.2081 123.2227 54.9492 35.1593 173.7708 51 W 4.8568 9.3429 119.7987 55.0755 31.9276 175.6078 52 A 4.7559 8.4194 126.1721 50.6781 21.0914 175.6114 53 A 4.9269 8.1061 120.1132 50.3008 23.3217 175.2418 54 I 4.7396 8.6588 114.5432 59.0499 40.4000 174.3661 55 F 5.3699 9.2561 125.7313 55.7546 41.3676 174.5347 56 K 5.0279 9.1587 124.2231 55.6361 34.0238 176.0216 57 T 4.5510 8.6493 118.8418 61.8201 71.2368 172.1101 58 T 4.9173 8.3543 110.8345 60.4576 71.0785 175.6985 59 E 4.0671 9.0658 124.9380 60.4956 29.2018 180.3848 60 E 4.0805 8.1962 116.8421 60.3808 30.0084 180.7365 61 K 4.5687 7.9130 115.7269 56.5960 32.4226 178.0833 62 E 4.0827 8.1346 124.1453 59.8958 29.6097 179.4083 63 K 3.9001 7.9641 123.0205 59.9871 31.8476 180.4740 64 E 4.2020 8.1432 119.7549 58.9909 29.3632 179.1770 65 L 3.9216 8.3373 120.6901 58.3697 42.0850 178.4180 66 Y 4.0432 8.6387 117.1492 61.2768 37.8070 178.7843 67 E 4.0258 8.3755 119.2455 59.3561 29.6117 179.1045 68 E 3.8552 8.2857 119.3089 59.2202 29.5429 178.5029 69 L 3.8422 7.9485 119.5035 58.1134 42.2500 178.5668 70 R 4.0100 8.1739 118.7427 59.4239 29.8261 178.6638 71 K 4.1072 7.9807 117.0374 58.4927 32.1641 178.3573 72 L 4.3451 7.6508 117.1116 54.1915 42.4351 176.2915 73 H 4.3182 7.2867 119.9033 54.9160 30.4157 173.6063 74 P 4.4006 0.0000 0.0000 65.2911 31.6830 176.3286 75 Y 4.6852 7.7316 116.2383 57.0292 38.7980 175.1626 76 E 4.1647 8.8964 124.5931 59.0476 30.1583 177.1066 77 T 4.5935 7.3801 114.2501 60.7826 68.9895 171.4601 78 P 4.3738 0.0000 0.0000 61.7687 32.9388 176.8471 79 A 4.3147 8.3115 121.7168 52.0195 19.4331 176.6382 80 I 4.8961 8.3560 123.2299 59.7857 40.4664 174.8639 81 F 5.4033 8.3165 120.5716 55.7074 41.8365 173.1891 82 T 5.2925 8.9666 116.1059 61.9896 70.9880 173.5409 83 L 4.9803 9.3755 126.5660 52.7894 44.0528 176.3302 84 K 4.6485 8.7899 122.8171 56.6632 33.8117 176.3872 85 V 4.4798 8.3146 120.7256 61.4482 33.7656 175.2849 86 E 4.4267 8.6469 123.2526 57.8765 30.3662 176.0573 87 N 5.1162 7.7525 113.3176 52.2207 42.7367 173.8113 88 V 4.5262 7.8953 117.8997 59.9833 34.2754 173.8984 89 L 4.0500 8.6369 124.6726 55.5908 42.5911 177.4039 90 T 3.9594 8.9270 123.2834 67.0448 68.8017 175.3392 91 E 4.1794 8.3140 120.0942 59.6215 29.7715 178.0437 92 Y 4.2983 7.8998 119.4002 58.0722 38.6596 177.0885 *94 N 4.6624 8.3066 117.3310 52.6349 40.9637 176.7881 95 W 4.0292 8.2537 127.3856 60.2759 30.5536 178.0043 96 L 3.3067 8.1400 119.2414 57.6179 40.8626 179.4755 97 R 3.8016 7.6901 116.5166 59.5780 30.1749 177.9684 98 E 4.0136 8.0181 117.2522 59.2972 29.4217 179.2726 99 S 3.9765 7.3014 114.6973 61.1968 62.8856 174.7227 100 V 3.8894 7.0847 118.3794 61.5070 31.3965 175.8547 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 S 8.19 4.52 0.00 3.96 4.14 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 1 L 8.45 4.70 0.00 1.83 1.70 1.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 2 I 9.80 4.85 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.98 0.00 0.00 3 L 8.81 5.28 0.00 1.76 1.75 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 V 9.00 4.84 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 0.87 0.00 0.00 1.16 0.00 0.00 5 Y 8.62 5.05 0.00 2.75 1.62 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 6 S 8.21 5.26 0.00 3.80 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.85 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 1.15 0.00 0.00 8 F 9.13 4.59 0.00 2.91 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 9 P 0.00 4.42 0.00 2.25 2.40 0.00 3.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 10 N 7.60 4.96 0.00 2.91 2.96 0.00 0.00 5.93 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 11 E 8.06 2.54 0.00 1.16 1.32 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 1.51 1.47 0.00 12 E 7.69 3.69 0.00 2.09 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 2.28 0.00 13 K 8.65 3.71 0.00 1.77 1.65 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.34 7.81 14 A 7.28 2.58 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 15 L 7.58 3.48 0.00 1.48 1.64 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.13 3.78 0.00 1.93 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 2.18 2.24 0.00 17 I 7.53 3.60 1.42 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 1.29 0.34 0.69 0.00 0.00 18 G 7.62 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 0.00 0.00 0.00 19 R 8.08 4.02 0.00 1.95 2.05 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 20 K 8.20 4.09 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.53 7.81 21 L 8.12 3.96 0.00 1.71 1.60 0.16 0.74 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 22 L 8.20 4.07 0.00 1.97 1.77 1.14 0.98 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 23 E 8.21 4.00 0.00 2.12 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 2.34 2.48 0.00 24 K 7.89 4.17 0.00 1.71 1.82 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.55 7.81 25 R 7.75 3.85 0.00 1.93 1.96 0.00 3.11 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 1.53 1.55 0.00 26 L 8.01 4.36 0.00 1.59 1.69 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.34 4.71 2.16 0.00 0.00 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 1.41 0.79 0.95 0.00 0.00 28 A 8.81 4.22 0.94 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 29 C 7.68 4.99 0.00 3.05 3.31 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 30 F 8.42 5.54 0.00 2.88 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 31 N 9.38 5.17 0.00 2.77 2.86 0.00 0.00 6.90 8.35 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 32 A 9.02 5.52 1.46 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 0.00 0.00 33 F 8.61 4.67 0.00 2.87 3.01 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 34 E 7.50 3.32 0.00 1.16 1.42 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 0.00 1.98 1.81 0.00 35 I 8.43 4.76 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 1.12 0.77 0.82 0.00 0.00 36 R 8.57 5.17 0.00 1.71 1.87 0.00 3.31 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 37 S 9.07 4.91 0.00 4.01 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 38 G 8.37 4.85 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 39 Y 7.48 4.88 0.00 3.15 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 40 W 9.23 5.00 0.00 3.29 3.27 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 41 W 9.74 5.30 0.00 3.50 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 42 K 9.16 3.25 0.00 1.52 1.58 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.61 0.21 7.81 43 G 8.70 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 0.00 0.00 0.00 0.00 44 E 8.15 4.88 0.00 1.94 1.76 0.00 0.00 0.00 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 2.30 0.00 45 I 7.68 3.90 1.34 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.51 0.00 0.00 46 V 8.41 4.38 1.85 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 0.89 0.00 0.00 0.19 0.00 0.00 47 Q 8.34 4.94 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.82 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 48 D 9.18 4.91 0.00 2.62 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 49 K 8.64 5.04 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.44 7.81 50 E 9.21 5.03 0.00 1.92 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 2.40 2.40 0.00 51 W 9.34 4.86 0.00 3.36 3.12 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 52 A 8.42 4.76 0.25 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 53 A 8.11 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.66 4.74 1.99 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 1.41 0.79 1.18 0.00 0.00 55 F 9.26 5.37 0.00 3.03 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 56 K 9.16 5.03 0.00 1.90 1.90 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.54 7.81 57 T 8.65 4.55 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 1.29 0.00 0.00 58 T 8.35 4.92 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 1.18 0.00 0.00 59 E 9.07 4.07 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 2.37 2.55 0.00 60 E 8.20 4.08 0.00 2.06 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 2.23 1.97 0.00 61 K 7.91 4.57 0.00 1.91 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 62 E 8.13 4.08 0.00 2.17 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 2.18 2.47 0.00 63 K 7.96 3.90 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.11 7.81 64 E 8.14 4.20 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 2.40 2.37 0.00 65 L 8.34 3.92 0.00 1.76 1.99 0.70 1.12 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 66 Y 8.64 4.04 0.00 3.11 3.03 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 67 E 8.38 4.03 0.00 2.20 2.01 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 2.37 2.63 0.00 68 E 8.29 3.86 0.00 2.05 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 2.24 2.28 0.00 69 L 7.95 3.84 0.00 1.42 1.62 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.17 4.01 0.00 2.02 2.11 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 71 K 7.98 4.11 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.56 7.81 72 L 7.65 4.35 0.00 1.56 1.62 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.29 4.32 0.00 3.26 3.30 0.00 5.75 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 74 P 0.00 4.40 0.00 2.19 2.12 0.00 3.34 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 75 Y 7.73 4.69 0.00 2.80 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 76 E 8.90 4.16 0.00 1.97 2.01 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 2.33 2.37 0.00 77 T 7.38 4.59 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 1.23 0.00 0.00 78 P 0.00 4.37 0.00 1.76 1.41 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 79 A 8.31 4.31 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 80 I 8.36 4.90 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 -0.05 0.00 0.00 81 F 8.32 5.40 0.00 3.17 3.17 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 82 T 8.97 5.29 4.44 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 1.36 0.00 0.00 83 L 9.38 4.98 0.00 1.72 1.67 1.20 0.90 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 84 K 8.79 4.65 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 85 V 8.31 4.48 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 0.97 0.00 0.00 1.02 0.00 0.00 86 E 8.65 4.43 0.00 2.02 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 2.28 2.28 0.00 87 N 7.75 5.12 0.00 2.68 2.69 0.00 0.00 6.70 7.68 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 88 V 7.90 4.53 2.20 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 0.72 0.00 0.00 1.18 0.00 0.00 89 L 8.64 4.05 0.00 1.76 1.68 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.93 3.96 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 1.25 0.00 0.00 91 E 8.31 4.18 0.00 2.15 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 2.44 2.41 0.00 92 Y 7.90 4.30 0.00 2.96 3.15 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 0.00 0.00 0.00 0.00 *94 N 8.31 4.66 0.00 3.05 2.93 0.00 0.00 6.64 7.68 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 95 W 8.25 4.03 0.00 3.41 3.27 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 96 L 8.14 3.31 0.00 1.57 1.55 0.93 0.76 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 97 R 7.69 3.80 0.00 1.75 2.05 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 98 E 8.02 4.01 0.00 1.87 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 2.44 2.47 0.00 99 S 7.30 3.98 0.00 3.37 3.44 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 0.00 100 V 7.08 3.89 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 0.51 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.