NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.3604 8.3301 115.2925 57.9459 63.8676 173.4115 23 A 3.9131 8.4876 120.0278 51.3957 19.9661 176.4792 24 L 3.8360 8.3999 124.9876 58.8030 42.5099 177.5451 25 H 4.0030 8.0873 114.1312 58.8961 28.0187 177.1589 26 W 4.7272 7.4529 120.9421 59.6018 28.9579 178.6049 27 R 4.0529 8.0024 117.4850 59.0710 29.4907 178.9328 28 A 4.0635 8.4742 120.9658 54.6337 18.2242 179.6463 29 A 4.0172 8.4038 119.1784 55.2555 18.8112 179.6666 30 G 3.7628 8.5699 104.4400 48.1451 0.0000 175.4645 31 A 3.9887 8.0141 123.5096 53.4906 19.1491 177.7679 32 A 5.0564 7.6986 118.5758 52.2217 19.0918 175.1958 33 T 4.4379 8.2619 120.6314 64.8770 71.7311 177.5432 34 V 3.5658 7.9712 119.8950 66.2024 31.3141 177.6671 35 L 3.9722 8.0989 119.8820 57.8760 41.8242 178.6739 36 L 3.9126 7.7482 119.9180 58.2254 42.2777 178.8742 37 V 3.6205 8.0881 118.4471 66.0680 31.3480 178.1238 38 I 3.7145 7.6656 119.4860 64.3976 36.9107 178.5444 39 V 3.7146 8.0512 119.2703 65.8833 31.3596 178.0390 40 L 3.9794 8.3194 119.1974 57.7565 41.4712 179.5815 41 L 4.0514 7.9205 118.3302 57.8187 41.5953 179.4446 42 A 4.1906 8.6104 121.3435 55.1722 18.2246 179.9750 43 G 3.7834 9.1047 105.1371 47.6188 0.0000 175.8941 44 S 4.5103 8.0990 115.1844 61.4279 62.4036 175.5505 45 Y 4.4516 8.4387 122.4013 60.8034 38.6100 177.7721 46 L 4.0180 8.7768 120.1239 57.3920 41.6295 179.2937 47 A 3.9622 7.9426 121.2955 55.0070 18.3826 179.8473 48 V 3.5866 7.3459 116.9507 65.3247 31.2893 178.0583 49 L 3.8006 7.2739 119.2457 58.0853 42.0009 178.5577 50 A 4.1875 7.8636 119.5958 54.8952 18.8096 178.9778 51 E 4.0983 8.3963 117.0285 57.5718 29.7489 177.3601 52 R 4.1628 7.1792 118.3417 56.9271 30.5500 176.3327 53 G 3.8958 8.9227 110.2285 45.3679 0.0000 173.3304 54 A 4.4105 7.8210 122.9205 49.6258 18.8827 174.6791 55 P 4.3870 0.0000 0.0000 65.2940 31.7153 177.0957 56 G 3.9272 8.9419 111.3353 45.1003 0.0000 173.7009 57 A 4.0063 7.5257 122.4082 52.5425 18.7076 177.2597 58 Q 4.3806 8.2665 118.6161 55.7059 30.9808 176.3945 59 L 4.2193 7.3156 123.0023 53.7413 40.4263 176.3218 60 I 4.4308 7.2699 109.3421 60.1737 39.2459 176.1218 61 T 4.3721 7.2044 110.8877 59.3666 71.8291 174.4225 62 Y 4.2909 8.1396 121.3884 60.7883 37.8271 177.0174 63 P 4.3770 0.0000 0.0000 65.7848 31.5540 178.9306 64 R 4.2326 8.1092 113.7666 59.0189 29.4379 178.4040 65 A 4.3008 7.9035 122.0940 54.8979 18.3447 179.3166 66 L 4.1146 8.2442 119.3025 57.9498 42.1854 178.9944 67 W 4.4043 8.2706 128.4226 60.0919 30.8035 177.6537 68 W 3.9389 8.8707 128.6002 60.5117 30.0922 177.7117 69 A 2.8537 8.2648 120.5332 55.0093 17.6316 179.3432 70 C 3.9414 7.9152 115.3920 62.7664 28.1095 175.8414 71 E 3.7998 7.4721 119.1177 57.4515 29.2182 179.0222 72 T 3.6787 6.9058 116.8554 66.2125 68.4063 176.7433 73 A 3.8308 7.8656 124.2223 55.0341 18.5832 179.1443 74 T 3.9147 7.5176 105.2178 62.0436 69.3905 176.2462 75 T 3.4914 7.7053 111.3487 62.2686 69.0167 172.4589 76 V 3.8413 6.6934 128.5453 63.3172 30.1648 177.9059 *78 Y 4.6845 8.8581 114.7296 56.4855 39.3570 175.7817 79 G 4.2215 8.6966 106.2179 45.2374 0.0000 173.7662 80 D 4.6790 8.1586 119.2987 55.3685 40.0472 176.5903 81 L 4.5401 7.6862 118.1442 53.5221 45.7188 174.2818 82 Y 4.7817 7.1996 117.9790 55.3989 40.1581 172.2307 83 P 4.5077 0.0000 0.0000 62.9001 32.1615 176.5359 84 V 4.3246 9.1208 113.3121 61.4218 33.5744 176.7113 85 T 4.4592 8.1769 111.2909 59.8877 71.6902 175.2836 86 L 3.7794 8.1997 122.7467 58.3925 41.9667 179.2820 87 W 4.5274 7.9292 118.2480 59.7415 29.0782 178.5910 88 G 3.6656 8.3239 105.7493 47.9014 0.0000 175.9692 89 R 4.0410 8.2487 120.4272 58.9102 30.1076 178.9261 90 L 4.0274 8.0840 118.8099 58.0550 41.6581 179.5553 91 V 3.7337 8.3247 118.0048 66.3022 31.3170 177.7477 92 A 4.3170 8.4099 120.2892 55.5047 18.2813 179.8328 93 V 3.5692 8.1079 116.7981 66.0166 31.5805 178.5116 94 V 3.6427 7.9090 118.2624 65.8745 31.3788 178.2281 95 V 3.5765 8.1221 118.2573 66.0731 31.2638 177.8601 96 M 3.9093 8.1650 118.5264 58.5019 31.8869 178.8997 97 V 3.5772 7.9029 117.9772 65.9026 31.7027 177.8436 98 A 4.0937 8.2009 120.6436 55.0622 18.2273 179.9404 99 G 3.5640 7.9503 105.4745 47.5334 0.0000 176.0618 100 I 3.8016 8.0735 123.2917 64.2279 37.1807 178.6375 101 T 3.9244 8.4376 117.1173 66.7800 68.4399 176.8454 102 S 4.1813 8.2192 116.0903 61.4379 63.0119 176.2847 103 F 4.3641 8.5285 124.4431 60.7959 39.1080 177.3755 104 G 3.4577 8.3641 105.2646 46.8837 0.0000 175.2447 105 L 4.0784 7.6879 122.2377 57.2887 42.0454 178.9294 106 V 3.6763 7.4391 118.1175 66.0505 31.5190 178.1133 107 T 3.6822 7.4910 115.2441 66.5427 68.3513 176.5597 108 A 3.9115 7.7283 122.0307 54.8695 18.3310 179.5894 109 A 3.5590 7.6402 119.1300 54.9302 18.3900 179.9217 110 L 3.8958 8.0436 117.6052 57.7903 41.6861 179.4849 111 A 4.0661 7.8473 120.7251 55.4713 18.1877 179.8668 112 T 3.6966 7.5205 113.8266 66.3498 68.4199 176.8224 113 W 4.2574 7.8507 130.3202 60.5107 30.6853 178.1836 114 F 4.2211 8.4946 118.1651 60.3989 38.3162 177.8670 115 V 3.6538 8.5340 118.3232 66.1286 31.2292 178.3273 116 G 3.7231 8.1335 104.3898 47.8559 0.0000 175.1606 117 R 4.4314 8.0424 122.2148 58.5510 30.2236 178.1768 118 E 3.9012 8.3861 119.5408 59.0842 29.4005 178.4750 119 Q 4.1205 7.9172 117.4998 58.9833 28.7753 178.9056 120 E 4.1181 7.9184 119.6849 59.1871 29.5925 178.8174 121 R 4.0115 7.3717 115.7991 58.1741 30.2660 176.4622 122 R 4.2058 7.8311 121.6742 57.0221 30.7071 175.1805 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 22 S 8.33 4.36 0.00 3.85 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 23 A 8.49 3.91 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.40 3.84 0.00 1.74 1.67 0.91 0.92 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 25 H 8.09 4.00 0.00 3.06 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.45 4.73 0.00 3.41 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.05 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 28 A 8.47 4.06 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 29 A 8.40 4.02 1.52 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 0.00 0.00 30 G 8.57 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.01 3.99 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 32 A 7.70 5.06 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 33 T 8.26 4.44 4.43 0.00 0.00 0.00 0.00 0.00 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 34 V 7.97 3.57 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 1.03 0.00 0.00 0.93 0.00 0.00 35 L 8.10 3.97 0.00 2.02 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.75 3.91 0.00 1.81 1.88 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.09 3.62 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 0.99 0.00 0.00 0.97 0.00 0.00 38 I 7.67 3.71 2.06 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 1.40 0.56 0.91 0.00 0.00 39 V 8.05 3.71 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 1.05 0.00 0.00 1.00 0.00 0.00 40 L 8.32 3.98 0.00 1.88 1.73 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.92 4.05 0.00 1.75 1.73 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.61 4.19 1.41 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 43 G 9.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.51 0.00 4.17 4.30 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 45 Y 8.44 4.45 0.00 3.12 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 46 L 8.78 4.02 0.00 1.90 1.77 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.94 3.96 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.35 3.59 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 0.68 0.00 0.00 0.63 0.00 0.00 49 L 7.27 3.80 0.00 1.28 1.72 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.86 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.10 0.00 2.01 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 0.00 2.30 2.24 0.00 52 R 7.18 4.16 0.00 1.76 1.80 0.00 3.03 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 53 G 8.92 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 0.00 0.00 0.00 54 A 7.82 4.41 1.26 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 55 P 0.00 4.39 0.00 2.03 2.02 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 56 G 8.94 3.93 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 0.00 0.00 0.00 57 A 7.53 4.01 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 58 Q 8.27 4.38 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.45 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 59 L 7.32 4.22 0.00 1.33 1.23 0.66 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.27 4.43 1.73 0.00 0.00 0.78 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 0.74 0.79 0.00 0.00 61 T 7.20 4.37 4.18 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 1.12 0.00 0.00 62 Y 8.14 4.29 0.00 3.20 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 63 P 0.00 4.38 0.00 2.22 2.17 0.00 3.67 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 2.18 2.26 0.00 64 R 8.11 4.23 0.00 2.21 2.28 0.00 2.94 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 65 A 7.90 4.30 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.11 0.00 1.97 2.03 1.02 0.99 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 67 W 8.27 4.40 0.00 3.41 3.35 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 68 W 8.87 3.94 0.00 3.46 3.55 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 69 A 8.26 2.85 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 70 C 7.92 3.94 0.00 3.05 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 71 E 7.47 3.80 0.00 1.70 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 1.76 1.84 0.00 72 T 6.91 3.68 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 0.92 0.00 0.00 73 A 7.87 3.83 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.52 3.91 4.08 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 1.16 0.00 0.00 75 T 7.71 3.49 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 1.08 0.00 0.00 76 V 6.69 3.84 1.64 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 -0.05 0.00 0.00 0.72 0.00 0.00 *78 Y 8.86 4.68 0.00 3.24 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 79 G 8.70 4.22 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 0.00 80 D 8.16 4.68 0.00 2.94 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 81 L 7.69 4.54 0.00 1.84 1.53 1.17 0.75 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 82 Y 7.20 4.78 0.00 3.06 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 83 P 0.00 4.51 0.00 2.24 1.85 0.00 3.99 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 84 V 9.12 4.32 2.11 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 0.82 0.00 0.00 0.97 0.00 0.00 85 T 8.18 4.46 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 1.25 0.00 0.00 86 L 8.20 3.78 0.00 1.57 1.42 0.64 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.93 4.53 0.00 3.40 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 88 G 8.32 3.67 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 0.00 0.00 0.00 89 R 8.25 4.04 0.00 2.11 2.02 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 90 L 8.08 4.03 0.00 2.14 1.93 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.32 3.73 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 1.37 0.00 0.00 1.16 0.00 0.00 92 A 8.41 4.32 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.11 3.57 2.28 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 1.02 0.00 0.00 0.97 0.00 0.00 94 V 7.91 3.64 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 0.99 0.00 0.00 1.05 0.00 0.00 95 V 8.12 3.58 2.06 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 0.70 0.00 0.00 1.03 0.00 0.00 96 M 8.16 3.91 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 97 V 7.90 3.58 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 1.02 0.00 0.00 0.97 0.00 0.00 98 A 8.20 4.09 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 99 G 7.95 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 0.00 100 I 8.07 3.80 1.94 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 1.48 0.98 0.98 0.00 0.00 101 T 8.44 3.92 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 1.22 0.00 0.00 102 S 8.22 4.18 0.00 4.17 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 0.00 103 F 8.53 4.36 0.00 3.17 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 0.00 104 G 8.36 3.46 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 0.00 105 L 7.69 4.08 0.00 1.98 1.65 0.89 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 0.00 106 V 7.44 3.68 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 1.12 0.00 0.00 1.08 0.00 0.00 107 T 7.49 3.68 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 1.08 0.00 0.00 108 A 7.73 3.91 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 0.00 109 A 7.64 3.56 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 0.00 110 L 8.04 3.90 0.00 1.71 1.35 0.99 1.16 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 0.00 111 A 7.85 4.07 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 0.00 112 T 7.52 3.70 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 113 W 7.85 4.26 0.00 3.24 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 0.00 114 F 8.49 4.22 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 3.65 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 1.00 0.00 0.00 0.95 0.00 0.00 116 G 8.13 3.72 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 0.00 117 R 8.04 4.43 0.00 2.16 1.91 0.00 3.31 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 118 E 8.39 3.90 0.00 2.09 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 2.27 2.36 0.00 119 Q 7.92 4.12 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 120 E 7.92 4.12 0.00 2.03 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 2.35 2.55 0.00 121 R 7.37 4.01 0.00 1.84 2.07 0.00 3.14 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 122 R 7.83 4.21 0.00 1.88 1.75 0.00 3.35 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.