NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.7737 8.4449 117.8299 56.2178 30.7012 173.5589 -1 H 4.9145 8.6484 121.4730 54.9080 29.1921 169.6882 0 H 6.0660 8.3177 117.5463 53.1323 33.1432 172.9803 0 R 5.6760 8.1277 119.8463 54.1323 35.0432 175.1803 3 V 4.5803 8.9924 123.8250 61.0342 34.6741 173.6362 4 E 4.8539 9.2053 129.3831 54.9221 31.6594 174.4181 5 L 4.6567 8.7107 126.8717 52.9525 44.1996 175.3782 6 L 4.4990 8.2530 125.3801 53.3560 43.3640 176.3183 7 F 5.2231 8.1476 124.7156 55.5220 41.0433 175.6347 8 E 4.1480 9.1985 117.7129 59.4122 29.5210 177.9188 9 S 4.5665 8.4103 111.9965 57.5540 63.7903 174.0975 10 G 3.9892 7.2571 107.7910 46.2539 0.0000 171.2531 11 K 5.3030 8.7111 117.3850 56.3446 35.8139 174.5836 12 C 4.9542 9.0973 115.4130 57.2575 33.9440 172.5036 13 V 4.9615 8.9252 119.0907 61.0065 34.1260 174.2027 14 I 5.0556 9.1462 120.8391 59.1551 41.0631 173.7786 15 D 5.2742 9.2707 123.9644 52.7145 43.2693 174.5715 16 L 5.2392 8.5823 125.5818 52.8499 44.9800 175.9638 17 N 4.3531 9.0873 122.3097 52.6205 38.6384 175.6455 18 E 4.2727 8.7574 126.3085 58.2266 29.6758 178.4237 19 E 3.9609 8.2838 118.4794 58.7388 30.0396 177.5351 20 Y 4.5860 7.5253 117.2183 57.0501 39.8389 175.9825 21 E 3.9704 9.7040 125.9027 59.4890 29.7252 179.7594 22 V 3.4648 7.7006 118.6658 64.6643 31.3635 178.4537 23 V 3.6074 7.7402 118.4368 65.6378 31.2810 177.8179 24 K 3.9582 7.7292 116.9256 59.7167 32.0982 178.9532 25 L 4.1773 8.0251 119.0099 57.5603 41.5551 179.3428 26 L 4.0251 8.2230 119.3505 57.7245 41.2537 179.1947 27 K 4.1237 8.2866 119.4829 60.0038 31.8477 178.3766 28 E 4.2299 7.9767 117.1827 58.3651 29.5531 178.4320 29 K 4.3213 7.7964 117.3340 56.6908 32.9456 177.3938 30 I 3.8959 6.8573 121.0633 60.5733 37.4573 173.7285 31 P 4.7902 0.0000 0.0000 61.7898 32.3737 175.1612 32 F 5.1042 8.0723 116.4408 55.5517 41.9466 172.6114 33 E 4.9963 8.8737 117.4126 55.1149 33.1289 175.7310 34 S 4.6230 8.6806 114.9972 57.6155 66.2001 172.0073 35 V 4.7941 8.2532 117.6440 61.2319 34.3408 176.2964 36 V 4.1935 8.9163 128.2522 62.9224 32.7779 174.4725 37 N 5.4854 8.8807 123.8365 51.5082 42.4405 173.3849 38 T 5.2248 8.9286 111.0661 60.1614 71.6600 174.4551 39 W 5.0762 9.2721 133.3482 56.8502 32.5416 175.5480 40 G 3.5421 7.9511 118.3917 46.8950 0.0000 173.3929 41 E 3.7924 8.7095 118.2049 55.5132 28.3938 175.5532 42 E 4.7619 7.6182 120.1098 54.4232 33.7378 174.7290 43 I 5.1600 8.6778 127.6419 59.9927 39.6588 174.3105 44 Y 5.9594 9.2937 123.9404 54.7337 41.9139 173.9639 45 F 5.3461 8.1188 114.6408 55.5038 41.4668 173.6684 46 S 5.1145 8.9861 115.9060 58.6561 64.0129 173.0982 47 T 4.7697 8.6254 111.3463 58.7886 71.9411 171.3144 48 P 4.5499 0.0000 0.0000 62.9985 31.5571 175.8233 49 V 4.1902 7.2940 116.9555 61.6877 33.5835 174.2394 50 N 4.8310 8.7692 125.4410 51.8303 39.4754 173.9438 51 V 4.2785 8.5200 125.7969 60.8981 32.8461 175.2231 52 Q 4.1041 8.6734 127.4219 58.4179 29.0276 177.0669 53 K 4.2310 7.5800 117.4535 55.5476 34.0224 175.2494 *55 E 4.4478 8.5088 116.1406 56.3741 32.0024 175.7105 56 N 5.2085 8.4007 117.0603 51.5403 38.2594 172.2660 57 P 5.0548 0.0000 0.0000 62.9868 33.2412 177.8500 58 R 4.7117 9.0752 121.1207 54.7583 34.0660 175.4250 59 E 4.6316 9.0035 120.7149 56.3177 30.7745 176.0126 60 V 4.5678 7.4648 118.9326 61.2699 34.7057 174.2793 61 V 4.4942 8.3373 119.4446 59.6916 35.7451 174.5872 62 E 4.6145 9.1518 121.1285 54.2705 31.5240 176.1427 63 I 4.0021 8.0737 121.5616 63.2789 37.6188 177.0296 64 G 4.1082 9.4868 114.0008 45.1458 0.0000 173.0174 65 D 4.9738 8.1961 120.4503 54.4366 42.2840 175.3549 66 V 4.9289 8.9297 122.8458 61.3004 33.7636 174.7424 67 G 4.6617 9.4218 114.9955 44.6346 0.0000 170.8288 68 Y 5.2253 9.0653 123.5593 55.3798 41.4537 174.2603 69 W 4.7665 8.5386 135.0000 55.0460 31.7244 174.3770 70 P 3.9125 0.0000 0.0000 64.7791 31.1897 177.3233 71 P 3.7316 0.0000 0.0000 64.5990 31.0389 177.1690 72 G 3.9156 6.5082 103.2317 44.0458 0.0000 173.0115 73 K 3.4987 7.2787 118.1419 57.3080 30.5655 174.0193 74 A 5.2485 7.2489 118.5081 50.1106 22.2607 176.9881 75 L 4.7565 8.2779 121.7600 54.3829 43.4290 175.7727 76 C 5.1858 9.3809 120.5651 57.8101 31.9219 172.8522 77 L 4.9017 9.1511 123.8430 53.0514 44.0801 175.4482 78 F 4.8897 9.0404 124.1943 55.8666 40.3989 176.0954 79 F 4.9536 8.2164 118.1310 56.0124 38.8583 175.5277 80 G 4.4580 6.9167 103.7065 46.9519 0.0000 173.2165 81 K 4.4252 8.0736 119.1449 56.4389 33.5811 177.2850 82 T 4.2493 8.0275 113.7089 58.7679 70.8216 173.6548 83 P 4.0638 0.0000 0.0000 62.2341 29.3072 175.8321 *85 S 4.1738 7.4904 112.1460 58.3361 63.5802 172.5214 86 D 4.7277 8.4555 121.6072 53.4243 40.0975 176.5101 87 D 4.8164 7.9699 117.4045 52.3446 40.4248 174.6279 88 K 4.3779 7.4734 117.1674 56.5162 35.6788 175.0025 89 I 4.0621 8.1223 121.5567 60.4516 38.0530 175.0062 90 Q 4.8055 8.3373 129.7681 53.2007 30.2145 173.5592 91 P 4.6060 0.0000 0.0000 62.3005 32.2370 176.4229 92 A 4.2501 8.5551 122.3329 54.9971 18.2506 177.2777 93 S 4.8710 7.5789 106.6643 56.3064 66.8226 173.5233 94 A 4.3603 8.7791 121.1964 52.9880 18.4228 177.4670 95 V 4.6819 8.4585 114.3510 59.3741 35.9088 174.9044 96 N 4.8887 9.1576 123.0893 52.8638 39.5823 174.5270 97 V 4.4723 8.3349 128.5695 62.7145 31.6324 175.5519 98 I 4.0920 8.7943 121.4864 60.1376 39.3117 175.8859 99 G 4.3282 7.1629 109.2765 46.1723 0.0000 171.5862 100 K 5.1702 7.8611 117.4855 54.6126 36.9368 176.1908 101 I 4.4577 9.1954 125.5207 61.8369 36.7519 176.1770 102 V 4.4023 8.9401 120.9315 61.6002 33.5671 176.2251 103 E 4.5486 7.9063 118.9460 55.4581 34.2000 176.2517 104 G 4.0381 8.9827 110.3798 45.8072 0.0000 174.8495 105 L 3.8796 8.1929 126.1145 58.6316 42.0483 179.8775 106 E 4.0930 8.0487 112.8498 58.5084 30.1894 179.7435 107 D 4.5019 7.9949 117.5710 57.3451 41.3240 178.7402 108 L 3.5228 7.4597 119.2533 57.3334 41.5126 179.4524 109 K 4.0934 7.4315 116.3768 58.6263 32.0733 177.9278 110 K 4.1112 7.5603 117.1605 57.6711 32.3791 177.1780 111 I 3.9571 7.1926 120.9368 60.6406 37.6868 175.7503 112 K 4.4732 9.0697 125.2786 54.5493 33.6214 175.9873 113 D 4.5636 8.3890 121.1915 56.3115 41.0580 177.4962 114 G 3.9724 9.1202 112.3445 45.0193 0.0000 173.5457 115 E 4.3223 7.7912 119.9525 56.0158 30.5846 176.9197 116 K 4.6880 9.3934 123.9515 56.4853 33.6962 176.2586 117 V 4.4169 8.5402 122.4224 59.7312 34.3922 174.0951 118 A 4.5460 8.4465 126.5775 50.3161 20.7846 175.7285 119 V 4.1143 8.0786 123.9824 61.5301 32.9159 175.1056 120 R 4.4164 8.4930 125.9245 54.1175 35.0328 174.5948 121 F 4.9032 8.3029 119.4208 57.2314 39.6287 175.5271 122 A 4.2060 8.6866 124.6458 52.5021 18.7541 177.6876 123 S 4.5675 8.7765 115.7860 58.7712 63.7380 174.7742 124 S 4.1740 7.6549 120.4609 58.6263 62.6026 173.7842 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 -2 H 8.44 4.77 0.00 3.13 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.65 4.91 0.00 3.25 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.32 6.07 0.00 2.93 3.37 0.00 5.80 0.00 0.00 0.00 0.00 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 R 8.13 5.68 0.00 1.50 1.97 0.00 2.21 0.00 0.00 4.01 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 3 V 8.99 4.58 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 0.91 0.00 0.00 1.00 0.00 0.00 4 E 9.21 4.85 0.00 2.03 1.71 0.00 0.00 0.00 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 2.39 0.00 5 L 8.71 4.66 0.00 1.21 0.80 1.20 0.68 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 6 L 8.25 4.50 0.00 1.40 1.45 0.83 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.15 5.22 0.00 3.02 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 8 E 9.20 4.15 0.00 2.11 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 2.30 2.34 0.00 9 S 8.41 4.57 0.00 3.85 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 10 G 7.26 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 0.00 0.00 0.00 11 K 8.71 5.30 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 12 C 9.10 4.95 0.00 3.27 3.14 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 13 V 8.93 4.96 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 1.11 0.00 0.00 1.01 0.00 0.00 14 I 9.15 5.06 1.97 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 1.39 1.10 1.02 0.00 0.00 15 D 9.27 5.27 0.00 2.74 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 16 L 8.58 5.24 0.00 1.62 1.62 1.02 1.22 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 17 N 9.09 4.35 0.00 2.72 2.97 0.00 0.00 7.07 8.25 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 18 E 8.76 4.27 0.00 2.09 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 2.40 2.43 0.00 19 E 8.28 3.96 0.00 1.68 1.72 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 2.25 2.30 0.00 20 Y 7.53 4.59 0.00 3.19 2.83 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 21 E 9.70 3.97 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 22 V 7.70 3.46 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 -0.16 0.00 0.00 23 V 7.74 3.61 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 1.17 0.00 0.00 1.07 0.00 0.00 24 K 7.73 3.96 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.75 7.81 25 L 8.03 4.18 0.00 1.78 1.67 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.22 4.03 0.00 1.95 1.86 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.29 4.12 0.00 2.10 2.16 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.78 7.81 28 E 7.98 4.23 0.00 2.14 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 2.38 2.39 0.00 29 K 7.80 4.32 0.00 1.86 1.77 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.49 7.81 30 I 6.86 3.90 1.35 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 1.16 0.75 0.02 0.00 0.00 31 P 0.00 4.79 0.00 2.01 1.95 0.00 3.37 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 32 F 8.07 5.10 0.00 3.09 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 33 E 8.87 5.00 0.00 1.81 1.80 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 2.13 2.19 0.00 34 S 8.68 4.62 0.00 4.12 3.68 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 35 V 8.25 4.79 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 0.84 0.00 0.00 0.94 0.00 0.00 36 V 8.92 4.19 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 0.71 0.00 0.00 1.11 0.00 0.00 37 N 8.88 5.49 0.00 1.44 2.15 0.00 0.00 6.39 6.73 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 38 T 8.93 5.22 4.33 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 1.25 0.00 0.00 39 W 9.27 5.08 0.00 3.38 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 40 G 7.95 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 0.00 0.00 0.00 41 E 8.71 3.79 0.00 1.54 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 2.21 2.09 0.00 42 E 7.62 4.76 0.00 1.65 1.90 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 1.96 1.47 0.00 43 I 8.68 5.16 2.05 0.00 0.00 0.53 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 1.02 1.12 0.00 0.00 44 Y 9.29 5.96 0.00 2.89 2.89 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 0.00 0.00 0.00 45 F 8.12 5.35 0.00 3.22 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 46 S 8.99 5.11 0.00 3.98 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 47 T 8.63 4.77 4.15 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 1.53 0.00 0.00 48 P 0.00 4.55 0.00 2.03 1.98 0.00 2.55 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 49 V 7.29 4.19 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 0.65 0.00 0.00 0.84 0.00 0.00 50 N 8.77 4.83 0.00 2.67 2.70 0.00 0.00 6.86 7.71 0.00 0.00 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 8.52 4.28 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 0.82 0.00 0.00 0.82 0.00 0.00 52 Q 8.67 4.10 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 53 K 7.58 4.23 0.00 1.73 1.77 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 *55 E 8.51 4.45 0.00 2.42 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 0.00 2.35 2.47 0.00 56 N 8.40 5.21 0.00 2.87 2.48 0.00 0.00 6.80 7.46 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 57 P 0.00 5.05 0.00 2.13 2.05 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 58 R 9.08 4.71 0.00 1.62 1.94 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 59 E 9.00 4.63 0.00 1.82 1.96 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 2.24 2.28 0.00 60 V 7.46 4.57 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 0.74 0.00 0.00 0.89 0.00 0.00 61 V 8.34 4.49 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 0.40 0.00 0.00 -0.01 0.00 0.00 62 E 9.15 4.61 0.00 1.96 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 0.00 2.21 2.39 0.00 63 I 8.07 4.00 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 1.00 0.00 0.00 64 G 9.49 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 65 D 8.20 4.97 0.00 2.83 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 66 V 8.93 4.93 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 1.12 0.00 0.00 1.02 0.00 0.00 67 G 9.42 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.07 5.23 0.00 3.05 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 69 W 8.54 4.77 0.00 3.19 2.88 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 P 0.00 3.91 0.00 2.07 2.09 0.00 3.45 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 2.11 2.28 0.00 71 P 0.00 3.73 0.00 0.49 1.46 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.57 0.00 72 G 6.51 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 0.00 0.00 0.00 73 K 7.28 3.50 0.00 1.98 2.04 0.00 1.42 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.51 7.81 74 A 7.25 5.25 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 0.00 0.00 0.00 0.00 0.00 75 L 8.28 4.76 0.00 0.73 1.19 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 C 9.38 5.19 0.00 2.74 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 0.00 0.00 0.00 77 L 9.15 4.90 0.00 1.69 1.72 1.26 1.29 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 78 F 9.04 4.89 0.00 3.05 2.99 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 79 F 8.22 4.95 0.00 3.03 3.06 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 80 G 6.92 4.46 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 81 K 8.07 4.43 0.00 1.62 1.61 0.00 1.60 0.00 0.00 1.96 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.38 7.81 82 T 8.03 4.25 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 1.43 0.00 0.00 83 P 0.00 4.06 0.00 1.46 1.72 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.39 0.00 *85 S 7.49 4.17 0.00 3.95 3.86 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 86 D 8.46 4.73 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.97 4.82 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.38 0.00 1.69 1.75 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.33 7.81 89 I 8.12 4.06 1.95 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 1.18 0.65 0.90 0.00 0.00 90 Q 8.34 4.81 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 91 P 0.00 4.61 0.00 2.43 1.99 0.00 3.83 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 92 A 8.56 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.58 4.87 0.00 3.92 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 94 A 8.78 4.36 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 95 V 8.46 4.68 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 0.96 0.00 0.00 0.95 0.00 0.00 96 N 9.16 4.89 0.00 2.92 2.79 0.00 0.00 7.02 7.65 0.00 0.00 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 V 8.33 4.47 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 0.83 0.00 0.00 0.90 0.00 0.00 98 I 8.79 4.09 1.90 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 1.36 0.66 0.63 0.00 0.00 99 G 7.16 4.33 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 0.00 100 K 7.86 5.17 0.00 1.77 1.72 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 101 I 9.20 4.46 1.97 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 1.35 0.59 0.98 0.00 0.00 102 V 8.94 4.40 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 0.73 0.00 0.00 1.01 0.00 0.00 103 E 7.91 4.55 0.00 1.88 1.79 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 2.31 2.33 0.00 104 G 8.98 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 0.00 0.00 0.00 105 L 8.19 3.88 0.00 1.77 1.72 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.05 4.09 0.00 2.03 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 0.00 2.23 1.90 0.00 107 D 7.99 4.50 0.00 2.95 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 0.00 108 L 7.46 3.52 0.00 0.67 0.35 0.86 0.97 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 0.00 109 K 7.43 4.09 0.00 1.94 1.88 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.04 7.81 110 K 7.56 4.11 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.33 7.81 111 I 7.19 3.96 1.46 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.43 0.00 0.00 112 K 9.07 4.47 0.00 1.71 1.69 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 113 D 8.39 4.56 0.00 2.64 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 0.00 114 G 9.12 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 0.00 0.00 0.00 115 E 7.79 4.32 0.00 1.97 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 2.46 2.45 0.00 116 K 9.39 4.69 0.00 1.67 1.67 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 117 V 8.54 4.42 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 0.04 0.00 0.00 -0.10 0.00 0.00 118 A 8.45 4.55 1.06 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 0.00 0.00 119 V 8.08 4.11 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 0.00 0.00 0.56 0.00 0.00 0.31 0.00 0.00 120 R 8.49 4.42 0.00 1.57 1.63 0.00 3.24 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 121 F 8.30 4.90 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 0.00 122 A 8.69 4.21 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 0.00 123 S 8.78 4.57 0.00 3.88 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 0.00 124 S 7.65 4.17 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.