NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7538 8.3493 119.5561 52.9407 42.7699 175.7300 9 S 4.6163 7.7946 120.6807 59.0615 61.8454 173.6794 10 I 4.3461 9.1670 123.6251 59.5217 38.9766 176.0721 11 I 4.5082 8.1928 126.0476 59.6872 39.1256 175.2253 12 R 4.7446 8.3759 121.2084 54.3624 32.6308 175.3981 13 F 5.0486 8.1220 115.4033 55.0404 41.1951 173.7188 14 S 4.5878 8.6619 115.8543 56.7467 63.6390 173.5004 15 V 4.5465 8.0488 125.7212 60.8185 34.1996 174.5815 16 S 4.7484 8.6497 119.8083 56.3826 64.8280 173.3069 17 L 4.8101 8.3447 126.6978 52.9416 44.9944 177.0390 18 Q 4.2137 8.4548 119.9617 54.7847 29.2061 177.0318 19 Q 4.0634 9.0171 121.7276 59.0446 28.6345 179.7835 20 N 4.3622 8.2468 117.1111 56.1197 37.0267 176.7453 21 L 3.9488 8.0771 122.4283 57.6642 42.1461 178.5870 22 L 3.9248 7.8420 119.8490 58.3554 42.1249 178.5466 23 D 4.3384 8.6023 119.2520 57.2927 40.6231 178.4279 24 E 3.9589 8.0608 119.9198 58.8916 29.5446 178.5541 25 L 3.8845 8.0943 120.5746 58.2839 42.0523 178.6291 26 D 4.3286 8.3482 119.1217 57.4813 40.7857 178.3797 27 N 4.3033 8.2593 117.4416 56.7174 38.9314 176.9348 28 R 3.9422 8.2384 120.3866 59.2533 30.1019 178.4205 29 I 3.7898 8.0049 119.9621 64.5152 36.6051 178.5075 30 I 3.7459 7.5839 120.3611 64.4296 36.7861 178.6481 31 K 4.0443 7.9973 117.9137 58.9737 31.9586 178.1882 32 N 4.8953 8.2498 113.5857 52.3588 38.8645 175.3928 33 G 3.7878 7.7073 107.4734 46.5696 0.0000 173.8730 34 Y 4.4190 8.0610 116.5445 57.2819 38.7986 175.8401 35 S 4.6675 9.7342 117.9655 59.4772 64.5166 175.1527 36 S 4.6474 7.5640 113.5363 56.0589 66.4875 175.4605 37 R 3.8565 8.4719 121.9056 59.5565 29.8262 179.1584 38 S 3.9943 8.0015 112.3661 61.3129 62.3567 175.7922 39 E 3.9393 8.0355 121.8215 59.0788 29.4393 178.5628 40 L 3.1916 7.6085 119.8418 58.0179 42.1422 178.9579 41 V 3.5594 7.7398 118.2446 65.9374 31.3163 177.9251 42 R 3.8919 7.9684 118.3710 59.6041 30.1054 178.2777 43 D 4.4155 8.1598 118.6457 57.6478 40.7890 178.5538 44 M 4.0524 8.4223 119.6104 58.6586 32.0776 178.9697 45 I 3.7878 7.8346 119.8313 64.1724 37.0062 178.7441 46 R 3.9475 7.6474 117.9081 59.2056 30.2073 178.6830 47 E 4.1124 8.0512 117.8694 59.5426 29.0880 179.5228 48 K 4.1843 8.0801 119.7719 58.9697 31.8602 179.3408 49 L 4.0913 7.7289 117.8574 56.9191 41.4612 178.4338 50 V 4.3535 7.4566 110.3455 60.6313 32.1175 174.8410 51 E 4.6595 7.6656 117.1670 53.7873 32.4669 173.3477 52 D 4.3684 8.8003 122.1581 55.4477 40.5107 178.2372 *56 E 4.0489 8.4207 126.2767 56.5992 31.3328 174.9420 57 D 4.8728 7.8159 119.7594 51.3787 41.7992 177.8685 58 N 4.3863 8.7035 123.3787 51.6220 38.9955 173.7273 59 P 4.0125 0.0000 0.0000 62.1875 31.9042 175.0736 60 N 5.1062 7.8184 117.3192 51.6892 40.4502 174.0081 61 D 4.8299 8.6421 115.9088 54.9427 41.6393 176.9683 62 E 4.0884 8.3082 120.6042 56.6974 30.5023 176.5196 63 S 4.6036 8.6498 119.0004 58.3834 63.4401 173.2722 64 K 4.7987 8.9242 124.7975 54.7442 36.9088 175.1064 65 I 4.7888 8.4859 123.1720 60.4533 39.6851 174.3846 66 A 5.1169 9.2431 128.9812 50.6707 23.5203 174.9291 67 V 4.7476 9.2633 119.5060 61.0044 34.8187 174.0020 68 L 5.0544 8.9918 130.4962 53.4923 44.0864 174.9281 69 V 4.6738 8.9380 127.7371 61.6039 33.2899 174.5210 70 V 5.1558 8.9319 128.4020 60.2742 34.3839 173.9524 71 I 4.8170 7.5480 128.3768 59.6680 39.4583 174.2187 72 Y 5.1564 8.1469 123.8282 55.3010 42.4408 173.6849 73 D 4.7715 9.3915 120.8806 53.7093 41.3403 177.3291 74 G 3.7466 8.8761 116.6702 47.6989 0.0000 173.5847 75 G 3.7762 8.5645 107.9255 45.5287 0.0000 173.7448 76 Q 4.1861 8.0643 122.8034 54.8068 28.4632 175.2872 77 R 4.1193 8.3246 125.2178 57.6816 30.6682 177.5014 78 E 3.9191 9.0296 120.0227 56.8704 28.0003 176.0645 79 L 3.8569 7.7511 120.8088 58.2781 42.0054 178.3417 80 N 4.1080 7.9941 116.3914 56.5099 38.8723 176.3227 81 Q 3.8988 7.9781 120.5308 59.3781 29.2079 178.4868 82 R 4.0958 8.1648 119.1252 59.4725 29.9879 179.0079 83 M 4.0372 8.0279 118.6282 58.2417 31.8453 178.8572 84 I 3.5582 7.9298 120.2557 64.3631 37.1379 178.0361 85 D 4.3635 8.3578 120.1015 57.6309 40.4488 179.1510 86 I 3.7443 7.5524 118.8915 64.3089 37.4544 178.2472 87 Q 4.1362 8.2296 119.0386 59.3690 28.3578 178.4240 88 H 4.2499 8.3145 116.0558 58.6333 27.5680 176.8842 89 A 4.4427 7.8451 120.4217 52.7264 18.8006 179.1361 90 S 4.3518 7.7404 112.6705 59.4145 63.2456 175.7126 91 G 3.9951 7.6384 108.5330 45.3839 0.0000 173.8275 92 T 4.1751 7.6447 109.4901 61.6457 69.8017 173.9314 93 H 4.7816 9.0914 123.7453 54.4985 31.0585 173.6790 94 V 4.0077 8.2222 126.8159 62.8183 31.2390 175.7235 95 L 4.2664 8.9250 129.7882 57.1966 42.4377 177.0129 96 C 5.0012 7.2535 111.2550 57.9779 31.9702 173.0557 97 T 5.2555 8.6176 109.4661 60.3449 71.7241 173.1763 98 T 4.7315 8.7698 119.4132 62.2584 72.3035 172.5333 99 H 5.5373 9.0727 122.9669 54.0532 31.6251 173.4728 100 I 4.7653 8.4469 114.1866 59.6641 41.5881 173.4954 101 H 4.8923 8.8494 120.9100 55.1219 28.9730 175.1086 102 M 4.3174 8.4966 121.0867 55.9030 32.1025 174.9637 103 D 4.5390 7.2976 117.1428 52.6928 41.7071 175.4398 104 E 3.6585 8.7778 117.6984 59.2379 29.9212 177.3513 105 H 4.7737 8.1487 114.4004 57.3458 31.2117 174.7430 106 N 5.0190 9.1825 116.2186 52.9671 40.0172 174.0185 107 C 4.9255 8.4774 120.0477 57.6475 31.9086 172.5189 108 L 5.0064 8.5700 124.4525 53.2023 44.2685 174.5547 109 E 5.3071 9.5974 127.5580 54.4966 32.9752 174.2294 110 T 4.9868 8.7122 116.9489 60.0752 71.3737 173.1582 111 I 4.7983 8.7938 127.6592 59.6261 39.5676 174.5292 112 I 4.8625 8.4616 129.3399 59.8948 38.9220 175.2790 113 L 5.1590 8.8455 126.4473 54.7598 44.6571 174.2561 114 Q 4.9813 9.1795 116.3737 54.3263 32.5368 174.5893 115 G 4.2629 8.1629 107.5875 46.4972 0.0000 171.8064 116 N 5.7613 8.4450 117.7419 51.0736 38.9011 176.4101 117 S 3.9686 8.3330 113.7818 61.8959 62.7037 177.2476 118 F 4.3013 7.7651 119.6493 60.6107 38.7248 177.5104 119 E 4.0475 9.0986 118.6427 59.4407 29.3102 179.5508 120 I 3.7200 7.7660 119.8667 64.4297 37.2097 178.2616 121 Q 3.9710 8.1269 120.4376 59.1641 28.8326 178.3066 122 R 3.9093 8.0143 119.6983 59.1887 30.1217 178.2679 123 L 3.9182 7.9711 120.2064 58.2097 42.1106 178.7172 124 Q 3.9848 8.1443 119.4533 59.2755 28.8585 178.3107 125 L 4.0317 7.9662 120.0235 57.7556 41.4388 179.3692 126 E 4.0018 8.0007 117.7244 59.4699 29.7370 179.1651 127 I 3.9673 7.9361 120.0902 64.2549 36.9719 178.7572 128 G 3.8548 8.2901 105.6754 46.9563 0.0000 174.9188 129 G 3.9564 7.4706 105.7022 43.7891 0.0000 173.7807 130 L 4.2160 7.4527 122.5042 53.6966 42.4204 176.5558 131 R 4.1060 8.4139 123.6616 57.8308 30.5639 176.0862 132 G 4.0271 9.1133 113.3237 45.4220 0.0000 173.0484 133 V 4.2227 7.3659 119.8339 62.1373 31.8012 175.7757 134 K 4.3460 9.1289 128.5946 59.2162 32.5125 177.1833 135 F 4.9371 7.3109 111.9736 56.1398 41.1970 173.0582 136 A 4.8761 8.8183 120.5278 50.5459 20.8641 174.9071 137 K 4.5274 9.5172 121.4183 55.5433 34.4319 175.4744 138 L 5.0734 8.5028 126.7787 53.7690 43.9629 175.3832 139 T 4.7559 9.1744 123.0354 61.5971 71.2829 173.1616 140 K 4.7187 8.8066 124.7620 56.3227 35.4745 174.3776 141 A 4.3972 9.3157 121.6114 50.8912 21.3457 176.8819 142 S 4.5241 8.4748 115.8083 58.2962 63.8971 177.4420 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 8 D 8.35 4.75 0.00 2.71 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 9 S 7.79 4.62 0.00 4.06 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 10 I 9.17 4.35 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.93 0.00 0.00 11 I 8.19 4.51 1.96 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 1.41 0.55 0.95 0.00 0.00 12 R 8.38 4.74 0.00 1.77 1.78 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 13 F 8.12 5.05 0.00 3.06 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 14 S 8.66 4.59 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.05 4.55 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 0.95 0.00 0.00 0.87 0.00 0.00 16 S 8.65 4.75 0.00 3.98 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 17 L 8.34 4.81 0.00 1.60 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.45 4.21 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 19 Q 9.02 4.06 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 20 N 8.25 4.36 0.00 2.92 3.10 0.00 0.00 5.81 6.67 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 21 L 8.08 3.95 0.00 1.85 1.77 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 3.92 0.00 1.79 1.81 0.90 1.31 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 23 D 8.60 4.34 0.00 2.68 2.70 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 24 E 8.06 3.96 0.00 2.03 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 2.30 2.35 0.00 25 L 8.09 3.88 0.00 1.85 1.82 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.35 4.33 0.00 2.86 2.70 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 27 N 8.26 4.30 0.00 2.86 2.99 0.00 0.00 6.89 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.24 3.94 0.00 2.03 2.03 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 29 I 8.00 3.79 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 1.00 0.00 0.00 30 I 7.58 3.75 2.02 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 1.54 1.20 0.92 0.00 0.00 31 K 8.00 4.04 0.00 1.77 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.62 7.81 32 N 8.25 4.90 0.00 3.08 3.07 0.00 0.00 7.10 7.27 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 33 G 7.71 3.79 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 0.00 0.00 0.00 34 Y 8.06 4.42 0.00 3.07 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 35 S 9.73 4.67 0.00 3.92 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 36 S 7.56 4.65 0.00 4.00 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 37 R 8.47 3.86 0.00 1.82 1.96 0.00 3.10 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 38 S 8.00 3.99 0.00 3.83 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 39 E 8.04 3.94 0.00 2.18 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 0.00 2.62 2.43 0.00 40 L 7.61 3.19 0.00 1.17 1.36 -0.00 0.59 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 41 V 7.74 3.56 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 0.89 0.00 0.00 42 R 7.97 3.89 0.00 2.11 2.12 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 43 D 8.16 4.42 0.00 3.00 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 44 M 8.42 4.05 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 45 I 7.83 3.79 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.22 0.94 0.00 0.00 46 R 7.65 3.95 0.00 1.94 2.01 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 47 E 8.05 4.11 0.00 2.20 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 2.61 0.00 48 K 8.08 4.18 0.00 2.00 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.22 7.81 49 L 7.73 4.09 0.00 1.89 1.74 0.94 0.68 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 50 V 7.46 4.35 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 0.80 0.00 0.00 0.96 0.00 0.00 51 E 7.67 4.66 0.00 2.10 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 2.44 2.23 0.00 52 D 8.80 4.37 0.00 2.67 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 *56 E 8.42 4.05 0.00 2.01 1.86 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 2.13 1.88 0.00 57 D 7.82 4.87 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 4.39 0.00 2.68 2.79 0.00 0.00 7.18 8.02 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 59 P 0.00 4.01 0.00 0.73 1.56 0.00 3.26 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 60 N 7.82 5.11 0.00 2.92 2.92 0.00 0.00 6.25 8.07 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 61 D 8.64 4.83 0.00 2.74 2.82 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 62 E 8.31 4.09 0.00 2.09 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 2.34 2.28 0.00 63 S 8.65 4.60 0.00 3.90 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 64 K 8.92 4.80 0.00 1.69 1.60 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.53 7.81 65 I 8.49 4.79 1.88 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 1.16 1.56 0.91 0.00 0.00 66 A 9.24 5.12 1.18 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 67 V 9.26 4.75 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 0.89 0.00 0.00 0.94 0.00 0.00 68 L 8.99 5.05 0.00 1.79 1.52 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.94 4.67 2.25 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 1.13 0.00 0.00 0.99 0.00 0.00 70 V 8.93 5.16 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 1.42 0.00 0.00 0.95 0.00 0.00 71 I 7.55 4.82 0.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.14 0.71 0.00 0.00 72 Y 8.15 5.16 0.00 3.11 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 73 D 9.39 4.77 0.00 2.74 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 74 G 8.88 3.75 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 0.00 75 G 8.56 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 76 Q 8.06 4.19 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 77 R 8.32 4.12 0.00 1.85 1.86 0.00 3.34 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 78 E 9.03 3.92 0.00 2.17 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 0.00 2.27 2.22 0.00 79 L 7.75 3.86 0.00 1.83 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.99 4.11 0.00 2.79 2.74 0.00 0.00 6.78 7.55 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 81 Q 7.98 3.90 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 82 R 8.16 4.10 0.00 1.98 1.92 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 83 M 8.03 4.04 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 84 I 7.93 3.56 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.67 0.00 0.00 85 D 8.36 4.36 0.00 2.82 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 86 I 7.55 3.74 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.94 0.00 0.00 87 Q 8.23 4.14 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 88 H 8.31 4.25 0.00 3.23 3.35 0.00 5.66 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 89 A 7.85 4.44 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 90 S 7.74 4.35 0.00 4.09 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 0.00 91 G 7.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.64 4.18 4.36 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 1.24 0.00 0.00 93 H 9.09 4.78 0.00 3.17 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.22 4.01 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 0.89 0.00 0.00 0.99 0.00 0.00 95 L 8.93 4.27 0.00 1.59 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.25 5.00 0.00 2.95 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 97 T 8.62 5.26 4.38 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 1.21 0.00 0.00 98 T 8.77 4.73 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 1.23 0.00 0.00 99 H 9.07 5.54 0.00 3.01 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.45 4.77 1.88 0.00 0.00 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 1.31 0.86 0.92 0.00 0.00 101 H 8.85 4.89 0.00 3.01 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.50 4.32 0.00 2.09 2.15 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 2.48 2.41 0.00 103 D 7.30 4.54 0.00 2.83 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 0.00 104 E 8.78 3.66 0.00 1.67 1.94 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 2.25 2.34 0.00 105 H 8.15 4.77 0.00 2.95 3.27 0.00 5.61 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 0.00 106 N 9.18 5.02 0.00 2.67 2.57 0.00 0.00 6.90 8.11 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 0.00 107 C 8.48 4.93 0.00 1.39 2.33 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 0.00 108 L 8.57 5.01 0.00 1.59 1.44 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.60 5.31 0.00 2.03 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 2.11 2.05 0.00 110 T 8.71 4.99 4.25 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 1.22 0.00 0.00 111 I 8.79 4.80 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.90 0.00 0.00 112 I 8.46 4.86 1.86 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 1.28 0.74 0.91 0.00 0.00 113 L 8.85 5.16 0.00 1.71 1.72 0.93 0.53 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 0.00 114 Q 9.18 4.98 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 115 G 8.16 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 0.00 0.00 0.00 0.00 116 N 8.45 5.76 0.00 3.28 3.16 0.00 0.00 6.91 7.20 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 0.00 117 S 8.33 3.97 0.00 3.37 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 0.00 118 F 7.77 4.30 0.00 3.26 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 0.00 119 E 9.10 4.05 0.00 2.04 2.13 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 2.52 2.56 0.00 120 I 7.77 3.72 1.86 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 1.42 1.04 0.91 0.00 0.00 121 Q 8.13 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 122 R 8.01 3.91 0.00 2.18 2.14 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 123 L 7.97 3.92 0.00 1.92 1.87 0.92 0.68 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 0.00 124 Q 8.14 3.98 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 125 L 7.97 4.03 0.00 1.77 1.71 0.94 1.00 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 0.00 126 E 8.00 4.00 0.00 2.04 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 2.35 2.43 0.00 127 I 7.94 3.97 1.96 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 1.41 0.85 0.88 0.00 0.00 128 G 8.29 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 0.00 129 G 7.47 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 L 7.45 4.22 0.00 1.83 1.57 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.41 4.11 0.00 1.77 1.85 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 132 G 9.11 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 0.00 0.00 0.00 133 V 7.37 4.22 2.25 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 0.84 0.00 0.00 0.93 0.00 0.00 134 K 9.13 4.35 0.00 1.48 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.45 7.81 135 F 7.31 4.94 0.00 3.03 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 0.00 136 A 8.82 4.88 1.28 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 0.00 0.00 137 K 9.52 4.53 0.00 1.72 1.66 0.00 0.82 0.00 0.00 1.20 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.11 7.81 138 L 8.50 5.07 0.00 1.63 1.62 0.93 0.91 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 0.00 139 T 9.17 4.76 4.25 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 1.21 0.00 0.00 140 K 8.81 4.72 0.00 1.69 1.73 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.38 7.81 141 A 9.32 4.40 1.19 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 0.00 0.00 0.00 142 S 8.47 4.52 0.00 3.94 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.