NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.7338 8.3027 120.4054 56.0099 31.1797 173.5193 -3 H 3.9528 8.8565 126.9737 59.3177 29.9546 174.7029 -2 H 4.3235 8.4761 115.2313 58.9100 30.0223 175.3705 -1 H 4.3369 8.8314 117.9112 59.2067 29.5217 174.2839 0 H 5.1242 8.3911 116.5302 54.1484 29.6001 174.4611 -2 F 4.2135 8.3561 117.3313 61.6100 40.6223 177.0705 -1 P 4.0269 0.0000 0.0000 67.5067 32.6217 177.4839 0 Y 4.9442 8.0911 118.6302 57.0484 38.4001 176.2611 5 K 4.6215 9.1853 118.1797 55.4625 36.7300 174.9937 6 I 4.8568 8.3904 122.1777 59.7140 39.0624 175.2937 7 V 4.1618 8.5122 127.3061 61.9981 33.8112 175.1565 8 D 4.4529 9.6667 128.8934 55.7347 38.0722 173.5274 9 D 4.4795 8.0384 112.0320 53.8352 38.9237 173.4318 10 V 4.2877 7.5065 120.2858 61.3776 33.7426 174.6666 11 V 3.9765 8.4940 128.9370 62.1731 32.6781 174.8051 12 I 4.6815 8.8280 130.7195 60.0375 38.5793 175.7957 13 L 4.9139 8.8994 129.1698 52.7884 44.2937 174.1446 *15 P 4.5233 0.0000 0.0000 63.1646 31.9422 176.0447 16 N 4.8387 8.8548 117.3527 52.5670 37.9672 173.8704 17 K 4.6783 7.4744 117.0224 54.1535 36.4687 175.1553 18 E 3.8580 8.6906 120.2584 56.9063 29.7110 175.9753 19 L 4.7003 8.1510 125.3333 53.2824 43.1073 175.2509 20 N 4.9254 9.1738 121.1093 51.9751 40.1041 174.4522 21 I 3.3601 8.4302 117.9795 64.5522 37.8893 177.3242 22 E 4.0923 8.2984 119.0307 58.4468 29.4289 177.8198 23 N 5.0239 8.1438 113.4380 52.3094 38.1183 176.0811 24 A 4.0898 8.1300 124.5787 55.9490 18.5161 179.2500 25 H 4.2140 8.3906 116.2281 59.2856 30.0456 176.8885 26 L 4.0235 8.1192 121.7246 58.2187 41.8840 178.6567 27 F 3.8266 8.6544 120.6673 60.9822 39.2489 176.8295 28 K 3.9863 8.4833 119.5214 59.6476 32.0510 178.4990 29 K 3.8965 8.2960 119.9514 59.2435 32.0474 178.4877 30 W 4.1010 8.2647 128.6075 60.4206 30.6716 178.1868 31 V 3.0702 7.9431 118.3875 65.7475 30.8752 178.0381 32 F 3.7884 8.4289 117.6077 60.6442 38.5611 177.4819 33 D 4.2688 8.3145 117.3821 57.3908 40.6941 178.3372 34 E 3.5397 7.6334 118.1174 58.1133 29.5724 176.2490 35 F 4.8236 7.3006 114.2432 58.8441 42.4363 177.4038 36 L 3.9913 7.5540 119.3025 58.1283 41.6590 179.2352 37 N 4.5663 8.3218 113.7541 54.7539 38.5739 175.7979 38 K 4.2833 7.9815 116.4667 55.9783 32.5008 177.0546 39 G 3.7318 8.0266 107.4571 45.3518 0.0000 173.9636 40 Y 4.3132 7.7508 118.0952 57.3298 36.8905 174.3261 41 N 4.9699 8.5797 122.2563 52.1744 39.2763 173.7597 42 K 5.2314 8.1960 119.4076 55.5234 34.6945 175.1456 43 I 5.0748 9.1825 126.0431 59.5533 41.6812 174.3895 44 F 5.6477 9.2356 125.6006 55.9376 41.4853 174.5067 45 L 4.9370 9.0745 127.0534 53.5626 43.1102 175.0519 46 V 4.3606 8.8645 128.0205 62.0598 32.2711 175.7201 47 L 4.6809 9.1938 127.0161 54.5900 42.1273 178.2855 48 S 4.1372 8.3249 117.1483 61.4331 62.7289 175.0618 49 D 4.7245 8.0229 116.1415 53.7983 41.0221 175.9313 50 V 4.0778 7.4365 120.4875 61.1383 31.3881 175.3802 51 E 4.1040 8.8573 129.7594 59.0089 29.8439 176.5358 52 S 4.6498 7.8752 110.2528 57.2182 65.9539 173.4612 53 I 4.6271 8.0980 114.1336 58.9963 40.3025 174.1000 54 D 5.1793 8.4999 121.1119 51.0593 42.3052 176.6075 55 S 4.1605 8.6826 112.7536 61.8269 62.7667 176.3046 56 F 4.0172 8.6249 121.3459 60.3477 38.7952 177.6738 57 S 4.3012 8.7506 113.9878 61.2562 62.7597 176.5519 58 L 4.1299 8.3870 123.1115 57.6212 41.2782 179.5556 59 G 3.6010 8.3043 105.7799 47.7121 0.0000 175.9062 60 V 3.6944 7.9167 120.4915 65.9190 31.5464 178.0671 61 I 3.9045 8.0267 119.6198 64.6020 36.9042 178.5413 62 V 3.6649 8.2349 119.2582 66.1439 31.3439 177.8350 63 N 4.4017 8.4704 116.4649 56.3379 38.2959 177.4942 64 I 3.4420 8.1072 121.4383 64.1171 37.0923 178.1290 65 L 3.8934 8.1048 121.4711 58.1325 41.9438 179.1567 66 K 3.9583 8.3412 118.6228 59.4680 31.9931 179.2650 67 S 4.1021 8.0569 113.2669 61.5548 62.3435 176.3148 68 I 3.6428 7.8680 122.8458 64.3595 36.4964 178.3892 69 S 4.0923 8.4706 114.4930 61.3724 61.9650 176.1738 70 S 4.1782 8.0147 115.2662 61.0581 62.3075 175.5647 71 S 4.4953 7.9870 114.2053 58.0065 63.3910 174.2079 72 G 3.8410 7.7460 109.3799 46.7458 0.0000 174.3233 73 G 4.2283 7.8907 110.7589 45.2922 0.0000 173.4776 74 F 4.9871 9.0326 123.3461 56.4192 42.6915 174.8229 75 F 5.7847 8.4351 127.4043 56.4905 42.0090 173.7328 76 A 4.5694 8.8679 126.3122 50.1405 22.9874 174.6509 77 L 4.7013 8.2631 120.9579 53.5924 43.8672 176.0543 78 V 4.6765 8.2807 122.3815 61.5484 34.8839 175.6544 79 S 3.8007 8.9874 123.9136 58.8111 60.7902 171.1253 80 P 4.3223 0.0000 0.0000 62.5223 32.0418 176.8343 81 N 4.7101 8.4329 119.6422 52.2182 40.1132 175.5696 82 E 3.9604 8.5541 117.7473 59.5108 29.6117 178.6906 83 K 3.8911 8.0205 120.1910 59.2000 32.2575 178.8321 84 V 3.5686 8.5497 118.8794 66.0517 31.4654 177.6203 85 E 3.8760 8.5561 119.4882 59.1742 29.2961 178.7582 86 R 3.8500 8.1244 118.9683 59.2901 30.1409 178.7255 87 V 3.5689 7.5854 118.2133 66.0054 31.6739 178.0106 88 L 3.9991 8.1332 118.9396 57.6581 41.4012 179.5838 89 S 4.5053 8.1536 114.4855 61.1015 62.2665 176.3511 90 L 4.1130 8.0162 120.4408 57.1164 41.3628 178.5361 91 T 4.3367 7.6581 107.5188 60.8685 69.3312 174.8809 92 N 4.2594 8.0785 117.8554 54.0481 37.1712 175.8576 93 L 3.9724 7.7287 122.6714 57.9379 42.3082 178.5399 94 D 4.4570 8.0190 117.0186 55.0856 39.4590 177.7522 95 R 4.1459 7.8429 118.7489 57.3363 30.4277 176.8818 96 I 4.5340 7.7383 108.7467 59.8535 38.8901 175.7498 97 V 4.3935 7.3082 119.7454 59.3384 34.3170 175.2461 98 K 3.9008 8.2251 122.0329 56.6128 33.1504 175.8385 99 I 4.7784 7.5785 124.0520 59.6731 40.4106 174.3156 100 Y 4.7978 8.6060 123.7115 56.1458 41.2872 176.8042 101 D 4.4317 8.8650 122.2770 57.0271 41.5584 176.9892 102 T 4.7685 7.5773 106.9735 59.6294 71.9184 174.6917 103 I 3.6786 8.4189 123.7815 64.4905 37.4262 178.0178 104 S 4.2632 8.0309 113.8935 61.2452 63.4379 175.2921 105 E 3.8768 8.0931 120.7246 59.2121 29.4230 180.0740 106 A 2.9113 7.1692 118.6677 52.1659 17.8775 179.0129 *108 E 4.2036 8.3033 120.8794 57.9931 31.5720 178.2087 109 E 3.9053 7.7426 118.2198 59.1071 29.7661 178.4976 110 V 3.1300 7.2177 116.9023 64.1895 31.7299 177.8542 111 R 3.8963 8.0158 121.4402 59.0021 30.2039 177.2105 112 R 4.2311 7.1953 118.9545 56.0991 31.7214 175.5854 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 -4 H 8.30 4.73 0.00 3.24 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.86 3.95 0.00 3.09 3.18 0.00 5.97 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 -2 H 8.48 4.32 0.00 3.36 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.83 4.34 0.00 3.32 3.68 0.00 5.90 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 0 H 8.39 5.12 0.00 3.35 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 F 8.36 4.21 0.00 3.21 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 -1 P 0.00 4.03 0.00 2.32 2.46 0.00 2.20 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 2.01 2.14 0.00 0 Y 8.09 4.94 0.00 3.09 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 5 K 9.19 4.62 0.00 1.78 1.85 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 6 I 8.39 4.86 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.80 0.95 0.00 0.00 7 V 8.51 4.16 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 0.99 0.00 0.00 0.93 0.00 0.00 8 D 9.67 4.45 0.00 2.76 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 9 D 8.04 4.48 0.00 3.21 2.84 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 10 V 7.51 4.29 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 -0.11 0.00 0.00 0.74 0.00 0.00 11 V 8.49 3.98 1.55 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 -0.37 0.00 0.00 0.25 0.00 0.00 12 I 8.83 4.68 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 1.09 0.00 0.00 13 L 8.90 4.91 0.00 1.91 2.00 1.04 0.65 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 P 0.00 4.52 0.00 2.11 1.93 0.00 4.15 0.00 0.00 3.95 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 16 N 8.85 4.84 0.00 2.84 2.99 0.00 0.00 5.92 7.13 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 17 K 7.47 4.68 0.00 1.74 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 18 E 8.69 3.86 0.00 1.89 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 2.29 2.40 0.00 19 L 8.15 4.70 0.00 1.52 1.41 0.32 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 N 9.17 4.93 0.00 3.09 2.91 0.00 0.00 6.16 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 21 I 8.43 3.36 1.34 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.73 0.00 0.00 22 E 8.30 4.09 0.00 2.18 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 2.30 2.20 0.00 23 N 8.14 5.02 0.00 3.10 3.11 0.00 0.00 6.15 7.19 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 24 A 8.13 4.09 1.58 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 0.00 0.00 25 H 8.39 4.21 0.00 3.38 3.45 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.12 4.02 0.00 1.95 2.09 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.65 3.83 0.00 2.88 3.10 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 28 K 8.48 3.99 0.00 2.07 2.04 0.00 1.64 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.63 1.65 7.81 29 K 8.30 3.90 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.45 7.81 30 W 8.26 4.10 0.00 3.63 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 31 V 7.94 3.07 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 0.70 0.00 0.00 0.45 0.00 0.00 32 F 8.43 3.79 0.00 3.13 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 33 D 8.31 4.27 0.00 2.51 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 34 E 7.63 3.54 0.00 1.16 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 1.61 1.47 0.00 35 F 7.30 4.82 0.00 2.83 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 36 L 7.55 3.99 0.00 1.16 1.34 -0.40 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.32 4.57 0.00 2.75 2.86 0.00 0.00 7.00 7.15 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 38 K 7.98 4.28 0.00 1.95 1.84 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.46 7.81 39 G 8.03 3.73 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 0.00 0.00 0.00 40 Y 7.75 4.31 0.00 3.03 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 41 N 8.58 4.97 0.00 2.69 2.93 0.00 0.00 5.97 7.14 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 42 K 8.20 5.23 0.00 1.88 1.80 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.48 7.81 43 I 9.18 5.07 2.00 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 1.05 0.61 1.02 0.00 0.00 44 F 9.24 5.65 0.00 2.95 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 45 L 9.07 4.94 0.00 2.12 1.70 1.16 1.00 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 46 V 8.86 4.36 2.35 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 0.86 0.00 0.00 1.08 0.00 0.00 47 L 9.19 4.68 0.00 1.77 1.62 0.90 0.85 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 48 S 8.32 4.14 0.00 3.88 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 49 D 8.02 4.72 0.00 2.87 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 50 V 7.44 4.08 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 0.74 0.00 0.00 0.94 0.00 0.00 51 E 8.86 4.10 0.00 1.94 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 0.00 2.29 2.35 0.00 52 S 7.88 4.65 0.00 4.02 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 53 I 8.10 4.63 1.89 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 1.47 0.75 0.91 0.00 0.00 54 D 8.50 5.18 0.00 2.93 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 55 S 8.68 4.16 0.00 4.10 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 56 F 8.62 4.02 0.00 3.26 3.22 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 57 S 8.75 4.30 0.00 4.09 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 58 L 8.39 4.13 0.00 1.92 1.78 0.94 0.95 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 59 G 8.30 3.60 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 0.00 60 V 7.92 3.69 2.37 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 1.38 0.00 0.00 1.14 0.00 0.00 61 I 8.03 3.90 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 1.13 0.00 0.00 62 V 8.23 3.66 2.24 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 1.14 0.00 0.00 0.99 0.00 0.00 63 N 8.47 4.40 0.00 3.03 2.97 0.00 0.00 7.06 8.31 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 64 I 8.11 3.44 1.64 0.00 0.00 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 1.18 0.92 -0.11 0.00 0.00 65 L 8.10 3.89 0.00 2.07 1.98 1.06 0.70 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 66 K 8.34 3.96 0.00 2.03 1.87 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 67 S 8.06 4.10 0.00 4.04 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 68 I 7.87 3.64 1.73 0.00 0.00 0.59 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 0.27 0.98 0.00 0.00 69 S 8.47 4.09 0.00 3.92 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 70 S 8.01 4.18 0.00 4.01 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 71 S 7.99 4.50 0.00 4.06 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 72 G 7.75 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 0.00 0.00 0.00 73 G 7.89 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 0.00 0.00 0.00 0.00 74 F 9.03 4.99 0.00 3.16 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 75 F 8.44 5.78 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 76 A 8.87 4.57 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 77 L 8.26 4.70 0.00 1.42 1.45 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.28 4.68 2.10 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 0.96 0.00 0.00 0.78 0.00 0.00 79 S 8.99 3.80 0.00 4.04 3.92 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 80 P 0.00 4.32 0.00 2.15 2.02 0.00 3.73 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 1.95 1.90 0.00 81 N 8.43 4.71 0.00 3.01 3.03 0.00 0.00 6.01 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 82 E 8.55 3.96 0.00 2.21 2.24 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 2.35 2.36 0.00 83 K 8.02 3.89 0.00 1.84 1.98 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 84 V 8.55 3.57 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 0.97 0.00 0.00 85 E 8.56 3.88 0.00 2.10 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 2.34 0.00 86 R 8.12 3.85 0.00 2.04 2.08 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 87 V 7.59 3.57 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 0.98 0.00 0.00 0.99 0.00 0.00 88 L 8.13 4.00 0.00 1.84 1.66 0.87 0.63 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 89 S 8.15 4.51 0.00 4.08 3.99 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 90 L 8.02 4.11 0.00 1.70 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.66 4.34 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 1.28 0.00 0.00 92 N 8.08 4.26 0.00 3.03 2.95 0.00 0.00 6.62 6.26 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 93 L 7.73 3.97 0.00 1.75 1.77 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.02 4.46 0.00 2.79 2.84 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 95 R 7.84 4.15 0.00 1.94 2.00 0.00 3.09 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 96 I 7.74 4.53 1.87 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 1.39 0.73 0.90 0.00 0.00 97 V 7.31 4.39 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 0.74 0.00 0.00 0.64 0.00 0.00 98 K 8.23 3.90 0.00 1.42 1.27 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 99 I 7.58 4.78 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.79 0.00 0.00 100 Y 8.61 4.80 0.00 2.73 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 0.00 101 D 8.87 4.43 0.00 2.84 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 0.00 102 T 7.58 4.77 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 1.22 0.00 0.00 103 I 8.42 3.68 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.58 1.07 0.00 0.00 104 S 8.03 4.26 0.00 3.95 3.99 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 0.00 105 E 8.09 3.88 0.00 2.07 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 2.31 2.23 0.00 106 A 7.17 2.91 0.18 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 *108 E 8.30 4.20 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 2.25 2.35 0.00 109 E 7.74 3.91 0.00 1.87 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 2.86 2.48 0.00 110 V 7.22 3.13 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 0.63 0.00 0.00 0.42 0.00 0.00 111 R 8.02 3.90 0.00 1.92 1.99 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 112 R 7.20 4.23 0.00 1.97 1.83 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.