NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2909 8.2993 120.1345 55.7863 33.9008 175.8759 11 P 4.2520 0.0000 0.0000 63.1510 32.1471 173.6448 12 K 4.8976 9.7200 124.9040 54.5642 36.3204 175.7693 13 L 5.2359 8.9736 120.0555 53.3070 45.3369 176.4567 14 L 4.9123 8.6922 122.8474 53.4780 43.4752 174.8820 15 Y 4.6794 8.9437 127.3906 56.2845 39.8546 174.0230 16 C 4.3678 8.5388 129.4533 58.6134 31.9569 174.5944 17 S 3.8658 8.4360 122.1519 61.1079 62.7570 173.9058 18 N 4.1832 7.5976 119.1625 55.7456 37.4628 174.0876 19 G 3.6326 8.4135 115.2886 43.6854 0.0000 171.5732 20 G 3.4145 6.6504 106.4228 46.3651 0.0000 171.1420 21 H 5.1110 6.8286 114.7430 53.8774 33.7038 174.3169 22 F 5.4813 9.1423 117.6917 55.4335 41.3937 175.4412 23 L 4.4623 9.0356 126.1023 55.5368 43.3450 175.7632 24 R 5.1032 9.4269 125.7492 53.8634 33.5918 173.5784 25 I 4.7313 8.4235 127.5825 59.6315 38.1817 175.7715 26 L 4.1875 9.1497 128.4671 53.2201 42.2343 176.9614 27 P 4.3571 0.0000 0.0000 65.2163 31.3170 176.5426 28 D 4.7421 8.0400 118.5861 53.1009 40.0252 177.7322 29 G 4.0727 8.1115 106.4279 47.1357 0.0000 174.0300 30 T 4.5261 7.4578 116.5503 62.7302 69.1233 173.9051 31 V 4.8871 7.9126 126.0977 61.3361 34.3090 174.8716 32 D 4.5458 8.5645 124.4502 53.6753 44.5889 174.4223 33 G 5.0997 8.3480 103.7299 45.8478 0.0000 172.1137 34 T 4.7915 8.4357 113.3705 60.5645 70.6941 174.7909 35 R 4.4025 8.7703 124.9357 58.4937 30.8962 175.4768 36 D 4.4498 8.0980 117.9316 54.3490 40.1273 176.6672 37 R 3.3400 8.4608 126.9596 58.1919 30.3237 177.2124 38 S 4.4613 7.7791 110.3305 58.0568 63.5155 173.7347 39 D 4.4707 7.6288 121.2477 55.0010 41.3487 175.4933 40 Q 4.5300 8.4214 123.0257 56.5383 29.1949 175.8658 41 H 4.8968 8.8476 112.7294 55.5250 30.5282 174.4005 42 I 4.7357 7.6806 110.5163 59.9665 38.5175 175.0475 43 Q 4.3957 7.8020 123.4902 55.4504 30.0881 174.7201 44 L 4.8886 8.8904 123.4469 52.8739 46.3912 175.3602 45 Q 4.7528 8.9815 124.3260 54.3542 30.9634 174.3338 46 L 4.7212 8.5635 127.5538 54.3892 42.7957 176.5479 47 S 4.7037 8.9558 120.8563 56.7412 63.7913 174.1154 48 A 5.0897 8.6046 128.7383 50.5554 16.5927 176.9564 49 E 4.2508 8.4619 122.3969 58.9134 30.4833 176.6308 50 S 4.6769 7.5561 110.8948 56.6664 67.3874 174.7933 51 V 3.6214 8.5817 121.1219 65.5150 31.2092 176.6617 52 G 4.0688 8.0120 105.3965 45.0375 0.0000 172.2520 53 E 4.8807 7.7503 119.7077 55.8589 31.4787 175.5496 54 V 4.8177 8.2609 119.7834 62.0457 35.7774 172.6847 55 Y 4.8288 8.9014 123.0962 56.3094 41.4389 175.2018 56 I 4.7915 8.5838 122.4555 59.4604 40.5095 174.0654 57 K 5.0487 8.5162 126.7451 54.4309 35.6846 175.8887 58 S 4.6606 8.8997 118.9874 58.9146 62.9815 174.9998 59 T 4.1105 8.1683 115.8902 63.1286 69.4070 175.8007 60 E 4.1200 8.0636 122.7455 58.6565 30.0149 177.1178 61 T 4.0691 7.5967 106.7570 61.6151 69.4337 176.0590 62 G 4.2373 8.1014 108.9729 45.3672 0.0000 173.6260 63 Q 4.2066 7.5387 119.4817 56.0205 30.0438 175.1381 64 Y 4.9916 9.0998 121.5822 57.2054 39.6686 174.8180 65 L 4.4188 9.6145 126.8646 55.3024 43.2382 175.0928 66 A 5.5601 8.7340 128.9041 50.7101 23.3059 174.5450 *68 D 5.5058 8.9554 113.6095 53.8880 40.7017 176.7436 69 T 4.0379 8.6860 109.1134 64.8696 68.5321 174.5515 70 D 4.6587 8.3892 119.9377 54.0957 40.9609 177.2183 71 G 3.3215 8.6489 108.1810 45.1300 0.0000 173.2682 72 L 4.4892 8.6744 122.8328 53.9587 42.7593 176.3381 73 L 4.5352 8.4013 126.3934 54.9192 42.6424 175.3971 74 Y 5.0395 8.6217 119.9816 56.1314 42.2008 173.2526 75 G 4.4538 9.0038 106.8445 44.8462 0.0000 172.8256 76 S 5.0633 9.4780 122.2797 56.9811 64.2213 174.6214 77 Q 4.4790 8.9219 124.2626 56.1388 29.1008 175.5944 78 T 4.6716 8.0156 109.0081 58.8818 71.1154 172.1595 79 P 4.1786 0.0000 0.0000 62.4641 30.6889 174.5294 80 N 5.2150 8.2157 123.8224 50.7207 40.2710 174.9550 81 E 3.9398 8.6475 114.3929 59.5071 30.0651 177.6889 82 E 4.3649 8.1911 118.3768 56.5889 29.3433 177.0264 83 C 5.1769 7.9056 115.2846 58.6462 29.9237 173.7171 84 L 4.3980 7.2607 120.1738 53.5630 42.6630 175.7155 85 F 5.1713 8.7161 122.7299 55.5151 42.9030 174.2923 86 L 4.8744 8.9342 123.4700 53.9413 43.0432 175.1870 87 E 4.9719 8.7996 125.9226 55.0104 30.9095 175.4033 88 R 4.5824 8.5420 125.3931 54.3044 34.2198 174.9006 89 L 4.3330 8.6179 125.8811 54.8144 40.5848 176.0638 90 E 3.7612 8.9366 124.7553 58.6006 30.0639 180.8531 91 E 4.3778 8.0951 124.9096 56.4440 31.9519 177.0781 92 N 4.7959 8.6542 122.7364 54.7210 38.8084 174.7372 93 H 4.9077 7.9283 113.6916 57.4259 34.9840 173.8014 94 Y 4.4525 8.2710 116.7567 58.0744 39.0858 174.8901 95 N 5.4713 9.4116 120.9972 51.7040 42.2503 173.7650 96 T 4.9151 8.7127 110.9998 60.1121 72.4976 172.2764 97 Y 5.2960 8.9163 121.8139 56.5418 40.6144 174.0785 98 I 4.7194 8.5996 125.6836 58.7472 40.5615 173.9131 99 S 3.4316 8.5923 123.9681 58.3740 62.4377 174.5304 100 K 3.7491 8.4297 130.3375 59.2213 32.2871 178.0472 101 K 3.8378 7.8260 118.6959 59.3295 32.3161 176.8232 102 H 4.4694 7.7360 112.8218 55.4906 29.1863 176.7351 103 A 3.7674 7.6869 125.6770 55.1983 18.2096 180.4941 104 E 3.8708 7.9147 111.7518 58.9064 29.5799 177.8984 105 K 3.9164 8.0519 117.5066 56.0361 32.5903 175.7195 106 N 4.0236 7.7999 116.7652 54.2770 37.6280 173.8366 107 W 5.2544 7.7386 117.4332 55.6448 31.4482 177.0699 108 F 5.6640 9.1896 123.1331 55.8017 41.9192 174.4863 109 V 4.4889 8.8623 119.7052 62.0840 32.9802 175.0253 110 G 4.3228 8.4558 112.2634 45.6848 0.0000 171.6681 111 L 5.3795 8.1369 119.9739 52.3937 44.8735 177.2044 112 K 4.2595 9.3523 122.7526 55.6803 32.9234 178.3320 113 K 3.8171 8.5834 119.6496 59.8101 31.8438 178.2155 114 N 4.5281 7.9916 112.9301 53.4361 37.3868 174.8806 115 G 4.1971 8.4136 108.7158 45.8601 0.0000 174.5110 116 S 4.3608 7.9026 114.2607 57.9773 63.7726 172.9784 117 C 4.8317 8.3130 116.5483 57.8177 30.7340 172.6541 118 K 4.4131 8.7177 123.5614 55.2068 33.0198 176.6167 119 R 3.8086 8.6454 126.2434 56.4219 30.8450 177.3790 120 G 3.5650 9.0604 114.3647 48.2093 0.0000 173.7737 121 P 4.1246 0.0000 0.0000 63.8388 31.1700 176.7274 122 R 4.4499 7.8345 117.6188 56.0954 30.6162 175.6357 123 T 4.8474 7.3829 108.6982 60.6824 71.1653 172.9289 124 H 4.7815 9.3135 119.4036 55.2564 33.2428 172.4564 125 Y 3.9752 8.7347 124.7942 59.6138 38.9984 175.0044 126 G 4.2070 8.5175 113.2580 45.7916 0.0000 174.2367 127 Q 4.0184 7.4615 117.6814 55.8651 29.3733 177.9893 128 K 3.8514 8.4475 121.0062 59.0096 32.9372 178.9918 129 A 3.8127 7.9269 121.7905 54.2476 18.3435 178.2651 130 I 4.2662 6.6594 105.0918 59.8166 38.5129 175.6423 131 L 4.1884 7.2558 123.2752 54.6589 42.2197 175.6500 132 F 5.1626 9.0295 123.6434 55.5958 41.9177 175.0515 133 L 4.7866 9.0857 125.9198 52.4029 43.7452 173.7341 134 P 5.6772 0.0000 0.0000 62.6175 32.0019 175.5285 135 L 4.7731 8.5667 125.5791 52.4201 43.6528 175.0145 136 P 4.9448 0.0000 0.0000 62.0268 33.0187 176.4498 137 V 4.4358 7.5957 117.8165 61.5069 31.9469 175.0036 138 S 4.2767 8.1684 120.5741 59.4360 62.2655 173.4775 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 10 K 8.30 4.29 0.00 1.77 2.17 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 11 P 0.00 4.25 0.00 2.17 2.19 0.00 3.65 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 2.06 2.04 0.00 12 K 9.72 4.90 0.00 1.74 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.65 7.81 13 L 8.97 5.24 0.00 1.95 1.92 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.69 4.91 0.00 1.45 1.44 0.44 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.94 4.68 0.00 2.97 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 16 C 8.54 4.37 0.00 3.00 2.54 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 17 S 8.44 3.87 0.00 4.14 4.34 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 18 N 7.60 4.18 0.00 2.55 2.63 0.00 0.00 7.20 7.98 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 19 G 8.41 3.63 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 0.00 20 G 6.65 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 21 H 6.83 5.11 0.00 2.99 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.14 5.48 0.00 3.07 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 23 L 9.04 4.46 0.00 1.60 1.44 0.87 0.45 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 24 R 9.43 5.10 0.00 1.88 2.04 0.00 3.42 0.00 0.00 3.30 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 25 I 8.42 4.73 1.87 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 1.31 0.70 0.93 0.00 0.00 26 L 9.15 4.19 0.00 1.73 1.63 0.83 0.99 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 27 P 0.00 4.36 0.00 2.16 2.19 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 28 D 8.04 4.74 0.00 2.83 2.90 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 29 G 8.11 4.07 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 30 T 7.46 4.53 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 1.22 0.00 0.00 31 V 7.91 4.89 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 0.85 0.00 0.00 0.96 0.00 0.00 32 D 8.56 4.55 0.00 2.81 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 33 G 8.35 5.10 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 34 T 8.44 4.79 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 1.36 0.00 0.00 35 R 8.77 4.40 0.00 1.94 2.12 0.00 3.37 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 36 D 8.10 4.45 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.46 3.34 0.00 1.78 1.89 0.00 3.12 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 38 S 7.78 4.46 0.00 3.97 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 39 D 7.63 4.47 0.00 2.87 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 40 Q 8.42 4.53 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 41 H 8.85 4.90 0.00 3.22 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.68 4.74 1.87 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.92 0.00 0.00 43 Q 7.80 4.40 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 44 L 8.89 4.89 0.00 1.48 1.41 0.77 0.49 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 45 Q 8.98 4.75 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.56 4.72 0.00 1.59 1.65 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.96 4.70 0.00 4.05 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 48 A 8.60 5.09 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 0.00 0.00 0.00 0.00 0.00 49 E 8.46 4.25 0.00 2.21 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 2.36 2.47 0.00 50 S 7.56 4.68 0.00 3.83 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 51 V 8.58 3.62 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 0.79 0.00 0.00 0.95 0.00 0.00 52 G 8.01 4.07 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 53 E 7.75 4.88 0.00 2.00 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 2.23 2.22 0.00 54 V 8.26 4.82 2.36 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 0.92 0.00 0.00 1.10 0.00 0.00 55 Y 8.90 4.83 0.00 3.11 2.91 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 0.00 56 I 8.58 4.79 1.62 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.74 0.69 0.00 0.00 57 K 8.52 5.05 0.00 1.32 1.68 0.00 0.87 0.00 0.00 1.37 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.20 7.81 58 S 8.90 4.66 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.11 4.20 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 1.17 0.00 0.00 60 E 8.06 4.12 0.00 1.83 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 2.09 2.31 0.00 61 T 7.60 4.07 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 1.26 0.00 0.00 62 G 8.10 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 0.00 0.00 0.00 0.00 63 Q 7.54 4.21 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 64 Y 9.10 4.99 0.00 3.14 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 65 L 9.61 4.42 0.00 1.73 1.39 0.15 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.73 5.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 D 8.96 5.51 0.00 3.14 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 69 T 8.69 4.04 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 1.32 0.00 0.00 70 D 8.39 4.66 0.00 2.71 2.72 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 71 G 8.65 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 0.00 0.00 0.00 72 L 8.67 4.49 0.00 1.57 2.13 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.40 4.54 0.00 1.72 1.60 0.96 0.95 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 74 Y 8.62 5.04 0.00 3.09 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 75 G 9.00 4.45 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 0.00 76 S 9.48 5.06 0.00 4.50 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 77 Q 8.92 4.48 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 78 T 8.02 4.67 4.32 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 1.27 0.00 0.00 79 P 0.00 4.18 0.00 1.60 0.53 0.00 3.80 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 1.87 1.78 0.00 80 N 8.22 5.21 0.00 2.94 3.05 0.00 0.00 5.91 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 81 E 8.65 3.94 0.00 2.11 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 0.00 2.35 2.29 0.00 82 E 8.19 4.36 0.00 2.13 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 2.38 2.38 0.00 83 C 7.91 5.18 0.00 3.16 3.13 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 0.00 0.00 0.00 84 L 7.26 4.40 0.00 1.44 1.38 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.72 5.17 0.00 2.95 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 86 L 8.93 4.87 0.00 1.61 1.61 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.80 4.97 0.00 2.30 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 2.23 2.02 0.00 88 R 8.54 4.58 0.00 1.75 1.77 0.00 3.37 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 89 L 8.62 4.33 0.00 1.64 1.61 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.94 3.76 0.00 1.81 1.70 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 2.07 2.19 0.00 91 E 8.10 4.38 0.00 2.09 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 2.25 2.19 0.00 92 N 8.65 4.80 0.00 2.48 2.69 0.00 0.00 6.53 8.16 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 93 H 7.93 4.91 0.00 2.99 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.27 4.45 0.00 2.90 2.86 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 95 N 9.41 5.47 0.00 2.65 2.17 0.00 0.00 6.36 6.69 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 96 T 8.71 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 0.97 0.00 0.00 97 Y 8.92 5.30 0.00 3.02 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 98 I 8.60 4.72 1.14 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.58 0.93 0.00 0.00 99 S 8.59 3.43 0.00 3.87 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 0.00 100 K 8.43 3.75 0.00 1.59 1.75 0.00 1.78 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.29 7.81 101 K 7.83 3.84 0.00 1.53 1.46 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.13 1.30 7.81 102 H 7.74 4.47 0.00 3.09 2.48 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.69 3.77 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 0.00 104 E 7.91 3.87 0.00 1.99 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 2.13 2.17 0.00 105 K 8.05 3.92 0.00 0.79 1.22 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.08 0.94 7.81 106 N 7.80 4.02 0.00 2.80 2.95 0.00 0.00 7.08 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 0.00 107 W 7.74 5.25 0.00 3.31 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 0.00 108 F 9.19 5.66 0.00 3.00 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 0.00 109 V 8.86 4.49 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 0.91 0.00 0.00 1.00 0.00 0.00 110 G 8.46 4.32 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 0.00 0.00 0.00 111 L 8.14 5.38 0.00 1.53 1.68 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.35 4.26 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.56 7.81 113 K 8.58 3.82 0.00 1.71 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.40 7.81 114 N 7.99 4.53 0.00 2.82 2.94 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.41 4.20 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 0.00 116 S 7.90 4.36 0.00 3.98 4.06 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 0.00 117 C 8.31 4.83 0.00 3.05 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 0.00 118 K 8.72 4.41 0.00 1.74 1.75 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81 119 R 8.65 3.81 0.00 1.69 1.61 0.00 3.14 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 120 G 9.06 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 0.00 121 P 0.00 4.12 0.00 2.06 1.92 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 122 R 7.83 4.45 0.00 1.84 1.95 0.00 3.07 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 123 T 7.38 4.85 4.45 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 1.33 0.00 0.00 124 H 9.31 4.78 0.00 3.21 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.73 3.98 0.00 3.19 2.85 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 0.00 126 G 8.52 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 0.00 0.00 0.00 0.00 127 Q 7.46 4.02 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 128 K 8.45 3.85 0.00 1.66 1.67 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.27 7.81 129 A 7.93 3.81 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 0.00 130 I 6.66 4.27 1.77 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 1.06 0.61 0.76 0.00 0.00 131 L 7.26 4.19 0.00 1.33 1.66 0.22 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.03 5.16 0.00 3.23 3.11 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 0.00 133 L 9.09 4.79 0.00 1.02 1.68 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.68 0.00 2.19 2.20 0.00 3.42 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 135 L 8.57 4.77 0.00 1.76 1.66 0.77 0.92 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 0.00 136 P 0.00 4.94 0.00 2.08 2.07 0.00 3.75 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 1.98 1.96 0.00 137 V 7.60 4.44 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 0.71 0.00 0.00 0.88 0.00 0.00 138 S 8.17 4.28 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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.