NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.4094 0.0000 0.0000 62.4064 33.4663 177.0777 10 I 3.6057 7.6227 110.9442 59.5984 38.0403 173.9468 11 A 3.8983 9.1155 128.6266 52.6878 19.5123 178.0542 12 A 4.2706 8.4158 125.5549 51.6640 19.3419 176.7711 13 Y 4.1544 8.5834 123.7903 57.2898 39.5232 175.4329 14 K 4.3049 7.2956 125.8850 53.3067 33.2684 174.0454 15 P 4.3495 0.0000 0.0000 63.2298 31.5166 176.7719 16 R 4.4381 8.4507 119.2092 56.5289 31.2491 175.8685 17 S 4.7268 7.4913 110.6695 57.0284 66.1033 173.2594 18 N 5.1955 8.6325 118.9642 52.7807 39.2958 174.4264 19 E 4.8053 9.0316 119.5774 55.6201 33.5067 174.2049 20 I 4.8693 8.4528 121.7783 59.6091 39.8828 174.8662 21 L 4.7451 9.0978 127.8485 52.9708 43.5061 175.5356 22 W 5.3570 9.0760 124.5789 55.6740 30.8502 176.4052 23 D 4.8826 8.8985 124.3175 51.9474 41.3850 177.3056 24 G 3.6447 8.8743 106.4024 47.6646 0.0000 173.6577 25 Y 4.4549 8.8589 116.9352 57.5252 38.4367 176.2137 26 G 4.0487 8.5140 108.0940 45.9272 0.0000 173.2699 27 V 4.3468 8.3125 120.1224 60.7601 32.9880 172.8154 28 P 4.0900 0.0000 0.0000 61.9626 32.7941 175.2149 29 H 4.4540 8.5515 121.0340 54.1640 30.4343 173.0183 30 I 4.5946 7.7879 124.6457 60.1643 38.3417 174.9538 31 Y 4.6139 9.2560 126.1703 56.1232 39.8945 175.2627 32 G 4.6144 8.5923 110.6902 44.3982 0.0000 173.9687 33 V 3.8799 9.4542 116.4311 63.0195 32.1797 176.0538 34 D 4.6665 7.5971 119.3073 50.8987 43.5305 175.9694 35 A 4.1590 8.5959 120.8303 55.1939 18.2872 177.7668 36 P 4.3008 0.0000 0.0000 66.1335 31.3462 178.9526 37 S 4.2047 8.9641 113.9270 61.5281 62.6732 176.6909 38 A 4.0592 8.0477 122.9901 55.3462 18.1533 179.7699 39 F 4.2005 8.9166 116.5517 60.6951 38.9354 177.3817 40 Y 4.4924 8.8001 119.7552 60.8789 38.6241 178.3439 41 G 3.7438 8.6934 106.8055 47.9036 0.0000 175.0833 42 Y 4.4980 8.4876 122.1780 60.5879 38.8217 178.1781 43 G 2.5599 8.3761 106.8858 46.8959 0.0000 175.4589 44 W 3.9873 8.1289 130.5637 60.1416 30.7806 177.7894 45 A 4.5270 8.5187 120.8295 55.6863 17.8986 179.6178 46 Q 3.9082 8.2828 116.4217 58.9727 28.7078 179.0495 47 A 3.6990 7.7328 121.8554 54.8910 18.1101 179.6826 48 R 2.5100 6.7615 116.0864 59.0812 30.1077 178.5015 49 S 4.3206 7.7799 113.6321 60.6134 63.3254 174.8497 50 H 4.8855 8.6360 118.9612 54.0973 30.4956 175.8564 51 G 3.5579 8.2699 108.6485 48.0666 0.0000 175.3246 52 D 4.3178 8.0097 121.0097 57.4502 40.8621 178.8948 53 N 4.3189 7.9676 115.9311 55.9913 38.5128 177.6146 54 I 3.4806 7.6033 121.5783 64.1784 37.1423 178.4094 55 L 3.8672 7.9079 120.0300 57.6509 41.4083 179.5471 56 R 3.7359 7.8340 118.6826 59.3350 29.8878 178.6274 57 L 4.1499 8.0976 118.9297 58.1362 41.1789 179.1328 58 Y 4.5250 8.5805 117.1413 61.0112 37.6087 178.8166 59 G 4.1150 8.6908 106.9625 48.0105 0.0000 175.6936 60 E 4.2344 8.7372 120.9097 59.2405 29.3724 179.2584 61 A 4.2193 8.3230 119.4693 54.6261 18.4975 179.0667 62 R 4.1912 7.5848 114.5482 56.6309 30.3655 177.4944 63 G 3.8627 8.2802 107.2606 45.8053 0.0000 173.9575 64 K 4.1798 7.6403 117.0625 55.6541 32.6170 178.5799 65 G 3.8316 8.2513 108.5343 48.0834 0.0000 176.0315 66 A 4.2834 8.1165 123.4608 54.7558 18.1600 179.3487 67 E 3.7083 7.7012 116.3326 59.5343 29.8195 178.1732 68 Y 4.0713 7.1219 115.6338 59.6366 37.9935 176.9970 69 W 4.8112 7.9446 115.7976 56.8472 30.9717 176.2970 70 G 3.9385 8.6050 107.0944 43.9082 0.0000 171.7641 71 P 4.2727 0.0000 0.0000 66.2251 31.0115 177.9999 72 D 4.5277 8.3333 114.7570 56.1505 41.2163 176.8805 73 Y 4.5769 8.2466 116.1500 57.4686 38.9610 177.0371 74 E 4.0219 8.2213 122.0184 59.4297 29.7973 178.5592 75 Q 4.0362 8.0909 117.6006 59.4219 28.7926 178.8981 76 T 4.0633 7.9317 116.2321 66.7978 68.4675 176.7506 77 T 3.9080 7.8825 117.4240 66.7229 68.5003 176.8254 78 V 3.5861 8.0956 120.2410 65.5720 31.4843 177.8468 79 W 4.2885 8.4303 128.1573 60.6352 30.6178 178.0549 80 L 3.5636 8.4203 119.3315 57.5723 41.0686 179.5225 81 L 3.8845 8.1156 119.2853 58.0547 41.3343 179.7123 82 T 3.8692 7.7560 114.7320 65.9688 68.3545 175.4772 83 N 4.4655 7.2120 115.8132 51.6849 38.8162 175.0508 84 G 3.8548 7.7248 108.6199 46.3151 0.0000 176.7143 85 V 3.2971 7.4402 119.9885 65.1343 31.2998 175.4858 86 P 4.1713 0.0000 0.0000 65.8306 31.2948 178.5324 87 E 3.9278 7.9589 116.7029 59.2291 29.4088 179.2339 88 R 3.7460 8.0180 118.7380 58.9800 29.9810 178.3480 89 A 3.9063 7.8704 120.7670 55.2474 18.3475 179.6016 90 Q 4.0520 7.8086 116.5714 59.0829 28.6219 178.9267 91 Q 4.0329 7.9253 120.0884 59.1436 28.9661 178.2705 92 W 4.3744 8.7327 119.1229 59.8535 29.4154 177.5979 93 Y 4.3161 8.8028 119.8653 60.7869 38.1130 178.0400 94 A 4.0037 8.0842 120.0259 54.4391 18.5624 178.6032 95 Q 4.2376 7.4893 114.6243 55.6408 29.4614 176.3682 96 Q 4.1749 6.9935 119.7242 55.3293 29.5430 176.9600 97 S 4.3410 8.3374 115.5143 57.5262 65.3351 173.4832 98 P 4.1854 0.0000 0.0000 66.0392 31.0035 178.6658 99 D 4.3243 8.0181 116.8463 57.5480 40.8628 178.6346 100 F 3.9632 8.1697 120.7277 60.8990 39.2409 177.1877 101 R 3.7758 8.3433 118.8037 59.2168 29.8401 178.3502 102 A 3.9656 7.8567 120.3593 55.0696 18.3038 179.4463 103 N 3.9058 7.4159 115.2172 56.1111 38.3864 177.6465 104 L 3.9459 7.4616 120.3507 57.9427 41.6715 179.3197 105 D 4.5000 8.4608 118.7888 57.3350 40.6626 178.7248 106 A 4.2185 8.2338 121.3289 55.0665 18.5407 179.3894 107 F 4.4373 8.6846 118.9654 61.6478 39.5877 177.1362 108 A 4.1053 8.4530 120.1287 55.2660 18.1438 179.4023 109 A 4.1947 8.6271 119.7924 55.3382 18.4593 180.0973 110 G 2.9401 8.3135 104.5107 47.6647 0.0000 176.1049 111 I 3.5294 7.3134 121.6508 64.1706 37.0465 178.2879 112 N 4.3305 8.3091 117.1267 56.1488 38.3880 177.2810 113 A 4.1025 8.4949 122.6096 55.3808 18.5124 178.9251 114 Y 3.5620 7.8907 117.7295 60.7520 38.5052 178.3122 115 A 3.7472 7.6139 120.0708 55.1452 18.5200 179.1202 116 Q 3.9931 8.0988 117.4323 59.1397 29.1892 177.8633 117 Q 4.2412 7.9500 118.1105 56.9822 30.5130 175.8824 118 N 4.8939 7.6927 116.2716 50.6506 38.8301 173.1416 119 P 4.2054 0.0000 0.0000 65.7936 32.0823 178.6555 120 D 4.4011 7.8886 114.9031 56.0256 41.3002 175.9571 121 D 4.6139 7.8879 117.0143 54.7864 41.3446 176.0078 122 I 4.3859 7.0475 121.0406 59.1316 38.4132 175.6008 123 S 4.0787 9.0025 120.5214 58.3268 62.9844 172.9451 124 P 4.2528 0.0000 0.0000 65.9749 30.9398 178.2302 125 D 4.6946 8.1475 114.6853 55.1650 39.6812 177.4149 126 V 4.5680 7.6418 112.8253 61.2507 32.5214 177.4295 127 R 3.9811 7.9171 119.4452 58.9631 29.6477 178.5539 128 Q 3.9377 7.8293 115.3687 58.2388 28.9231 177.6577 129 V 3.4492 7.2964 118.7394 65.3965 31.7614 176.6917 130 L 4.1293 7.3261 119.1660 54.1920 41.9641 175.0414 131 P 4.7725 0.0000 0.0000 62.0775 32.7996 175.7121 132 V 4.5233 8.7973 113.5180 60.0828 33.3664 175.2661 133 S 4.8486 9.0612 116.2878 55.6423 66.2140 175.3742 134 G 3.7135 8.4288 105.7859 47.7190 0.0000 175.6592 135 A 3.8741 7.0417 121.7713 54.9085 18.2159 179.4356 136 D 4.1293 7.6476 117.3954 57.3105 40.8027 179.0632 137 V 3.1792 7.4778 118.2150 65.9451 31.5355 178.1132 138 V 3.7469 7.7912 117.4119 65.8396 31.3017 177.7344 139 A 3.9729 8.2444 120.9795 55.5579 18.1659 179.1193 140 H 4.1716 8.3688 116.5790 59.4230 29.7372 177.3618 141 A 4.0648 7.7919 121.2910 55.3032 18.2620 178.8466 142 H 4.5733 8.4546 116.3438 59.3564 30.2062 177.2148 143 R 4.1957 8.3001 120.7395 59.4150 30.0722 178.0303 144 L 4.1186 8.0578 117.5695 57.2060 41.9530 177.7907 *146 N 4.5635 8.0091 115.5397 53.1813 40.3606 175.5874 147 F 5.9122 8.1541 114.4355 56.4372 39.6158 175.8492 148 L 4.7015 8.0333 118.9718 56.8692 44.9060 177.6599 149 Y 4.1763 8.0348 115.1554 61.2418 38.1953 177.9513 150 V 3.5777 7.9673 118.2557 65.2834 32.2430 176.5143 151 A 4.6614 8.2049 130.2633 50.0979 18.8994 175.3574 152 S 4.7487 8.2118 116.6868 57.6789 65.8887 173.2584 153 P 2.9700 0.0000 0.0000 64.9960 30.9572 179.0284 154 G 3.5754 7.6940 103.8905 48.0708 0.0000 175.7184 155 R 4.0445 7.5521 120.0364 59.2052 29.8437 179.3794 156 T 4.0805 7.2940 113.6897 66.5025 68.6782 176.4282 157 L 4.2569 8.0516 118.6717 54.4504 42.3973 176.7373 158 G 3.8782 7.5467 105.6999 47.1163 0.0000 174.0850 159 E 4.5891 8.3760 116.3174 55.2102 32.0420 176.9259 160 G 3.7015 7.7324 112.3377 46.2092 0.0000 173.2978 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 9 P 0.00 4.41 0.00 2.06 2.18 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 10 I 7.62 3.61 1.89 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 1.36 0.67 0.92 0.00 0.00 11 A 9.12 3.90 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 12 A 8.42 4.27 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 13 Y 8.58 4.15 0.00 3.00 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 14 K 7.30 4.30 0.00 1.51 1.58 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.45 7.81 15 P 0.00 4.35 0.00 2.32 2.46 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 16 R 8.45 4.44 0.00 1.80 1.98 0.00 3.15 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 17 S 7.49 4.73 0.00 3.83 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 18 N 8.63 5.20 0.00 2.64 2.84 0.00 0.00 6.78 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 19 E 9.03 4.81 0.00 2.03 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 2.22 2.31 0.00 20 I 8.45 4.87 1.95 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 1.28 0.63 0.08 0.00 0.00 21 L 9.10 4.75 0.00 1.72 1.66 0.95 0.54 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 22 W 9.08 5.36 0.00 3.19 3.24 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 23 D 8.90 4.88 0.00 2.95 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 24 G 8.87 3.64 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 0.00 0.00 0.00 25 Y 8.86 4.45 0.00 3.11 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 26 G 8.51 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.31 4.35 2.48 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 0.90 0.00 0.00 1.03 0.00 0.00 28 P 0.00 4.09 0.00 1.36 0.49 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 29 H 8.55 4.45 0.00 3.29 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.79 4.59 1.67 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 1.27 0.28 0.95 0.00 0.00 31 Y 9.26 4.61 0.00 2.96 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 32 G 8.59 4.61 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 0.00 0.00 0.00 33 V 9.45 3.88 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 0.74 0.00 0.00 0.97 0.00 0.00 34 D 7.60 4.67 0.00 3.05 2.77 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 35 A 8.60 4.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.22 2.18 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 37 S 8.96 4.20 0.00 4.13 4.09 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 38 A 8.05 4.06 1.37 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 0.00 0.00 0.00 39 F 8.92 4.20 0.00 3.40 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.49 0.00 3.29 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 41 G 8.69 3.74 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 0.00 0.00 0.00 42 Y 8.49 4.50 0.00 3.08 3.34 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 43 G 8.38 2.56 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 44 W 8.13 3.99 0.00 3.31 3.34 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 45 A 8.52 4.53 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 46 Q 8.28 3.91 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 47 A 7.73 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 6.76 2.51 0.00 0.67 1.81 0.00 3.12 0.00 0.00 2.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 0.00 49 S 7.78 4.32 0.00 3.86 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 50 H 8.64 4.89 0.00 3.00 3.12 0.00 5.64 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 51 G 8.27 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 52 D 8.01 4.32 0.00 2.66 2.66 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 53 N 7.97 4.32 0.00 2.70 2.79 0.00 0.00 7.03 7.33 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 54 I 7.60 3.48 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.19 0.00 0.00 55 L 7.91 3.87 0.00 1.82 1.72 0.88 0.83 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 56 R 7.83 3.74 0.00 1.62 1.78 0.00 2.29 0.00 0.00 2.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 57 L 8.10 4.15 0.00 1.89 1.76 0.94 0.91 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 58 Y 8.58 4.53 0.00 3.14 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 59 G 8.69 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 0.00 0.00 0.00 0.00 60 E 8.74 4.23 0.00 2.48 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 2.81 2.90 0.00 61 A 8.32 4.22 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 62 R 7.58 4.19 0.00 2.04 1.97 0.00 3.38 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 63 G 8.28 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 0.00 0.00 0.00 64 K 7.64 4.18 0.00 1.23 0.74 0.00 1.50 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.03 1.12 7.81 65 G 8.25 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 0.00 0.00 0.00 66 A 8.12 4.28 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 67 E 7.70 3.71 0.00 1.68 1.51 0.00 0.00 0.00 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 2.24 0.00 68 Y 7.12 4.07 0.00 1.43 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 69 W 7.94 4.81 0.00 2.53 2.75 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 70 G 8.61 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 0.00 0.00 0.00 71 P 0.00 4.27 0.00 2.22 2.19 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 72 D 8.33 4.53 0.00 2.65 2.52 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 73 Y 8.25 4.58 0.00 3.46 3.19 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 74 E 8.22 4.02 0.00 2.12 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 0.00 2.34 2.38 0.00 75 Q 8.09 4.04 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 76 T 7.93 4.06 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 1.42 0.00 0.00 77 T 7.88 3.91 4.47 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 1.19 0.00 0.00 78 V 8.10 3.59 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 1.05 0.00 0.00 1.01 0.00 0.00 79 W 8.43 4.29 0.00 3.45 3.29 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 0.00 80 L 8.42 3.56 0.00 1.65 1.55 1.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.12 3.88 0.00 1.65 1.63 0.87 0.86 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 82 T 7.76 3.87 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 1.14 0.00 0.00 83 N 7.21 4.47 0.00 1.59 1.57 0.00 0.00 7.02 8.87 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 84 G 7.72 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 85 V 7.44 3.30 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 0.89 0.00 0.00 0.10 0.00 0.00 86 P 0.00 4.17 0.00 2.11 2.12 0.00 3.49 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 87 E 7.96 3.93 0.00 1.92 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 2.34 2.28 0.00 88 R 8.02 3.75 0.00 1.75 1.60 0.00 2.48 0.00 0.00 2.91 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 89 A 7.87 3.91 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 90 Q 7.81 4.05 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 91 Q 7.93 4.03 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 92 W 8.73 4.37 0.00 3.41 3.23 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 93 Y 8.80 4.32 0.00 3.19 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 94 A 8.08 4.00 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 95 Q 7.49 4.24 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 96 Q 6.99 4.17 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 97 S 8.34 4.34 0.00 4.04 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 98 P 0.00 4.19 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 99 D 8.02 4.32 0.00 2.72 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 0.00 100 F 8.17 3.96 0.00 3.11 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 0.00 101 R 8.34 3.78 0.00 1.82 1.97 0.00 3.01 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.18 0.00 102 A 7.86 3.97 1.35 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 0.00 0.00 103 N 7.42 3.91 0.00 1.56 1.42 0.00 0.00 6.97 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 0.00 104 L 7.46 3.95 0.00 1.89 1.83 1.11 0.96 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 0.00 105 D 8.46 4.50 0.00 2.89 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 0.00 106 A 8.23 4.22 1.63 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 0.00 107 F 8.68 4.44 0.00 3.54 3.43 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 0.00 108 A 8.45 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.63 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.31 2.94 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 0.00 0.00 0.00 111 I 7.31 3.53 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.79 0.00 0.00 112 N 8.31 4.33 0.00 2.94 2.91 0.00 0.00 6.95 6.80 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 0.00 113 A 8.49 4.10 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 0.00 0.00 0.00 0.00 0.00 114 Y 7.89 3.56 0.00 1.78 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 0.00 115 A 7.61 3.75 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 0.00 116 Q 8.10 3.99 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 117 Q 7.95 4.24 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.08 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 118 N 7.69 4.89 0.00 1.74 2.58 0.00 0.00 6.85 7.61 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 0.00 119 P 0.00 4.21 0.00 2.11 2.06 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 120 D 7.89 4.40 0.00 2.57 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 0.00 121 D 7.89 4.61 0.00 2.78 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 0.00 122 I 7.05 4.39 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.88 0.00 0.00 123 S 9.00 4.08 0.00 4.11 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 0.00 124 P 0.00 4.25 0.00 2.19 2.10 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 125 D 8.15 4.69 0.00 3.05 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 0.00 126 V 7.64 4.57 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 0.76 0.00 0.00 0.95 0.00 0.00 127 R 7.92 3.98 0.00 1.80 1.94 0.00 3.10 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 128 Q 7.83 3.94 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 1.97 1.24 0.00 129 V 7.30 3.45 2.19 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 0.96 0.00 0.00 1.00 0.00 0.00 130 L 7.33 4.13 0.00 1.71 1.58 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.77 0.00 2.20 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 132 V 8.80 4.52 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 0.92 0.00 0.00 1.14 0.00 0.00 133 S 9.06 4.85 0.00 3.78 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 0.00 134 G 8.43 3.71 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 0.00 0.00 0.00 135 A 7.04 3.87 0.99 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 0.00 136 D 7.65 4.13 0.00 2.67 2.34 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 0.00 137 V 7.48 3.18 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 1.10 0.00 0.00 1.29 0.00 0.00 138 V 7.79 3.75 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 1.41 0.00 0.00 1.22 0.00 0.00 139 A 8.24 3.97 1.36 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 0.00 0.00 0.00 140 H 8.37 4.17 0.00 3.35 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.79 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.45 4.57 0.00 3.17 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.30 4.20 0.00 1.97 2.15 0.00 3.30 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 1.79 1.80 0.00 144 L 8.06 4.12 0.00 1.84 1.87 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *146 N 8.01 4.56 0.00 2.78 2.32 0.00 0.00 6.90 8.13 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 0.00 147 F 8.15 5.91 0.00 3.09 3.42 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 0.00 148 L 8.03 4.70 0.00 1.85 1.47 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.03 4.18 0.00 3.11 2.95 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 0.00 0.00 0.00 150 V 7.97 3.58 2.19 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 0.75 0.00 0.00 0.96 0.00 0.00 151 A 8.20 4.66 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 0.00 152 S 8.21 4.75 0.00 3.91 4.10 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 0.00 153 P 0.00 2.97 0.00 1.61 1.13 0.00 3.23 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.44 0.00 154 G 7.69 3.58 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 0.00 155 R 7.55 4.04 0.00 1.85 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 156 T 7.29 4.08 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 1.45 0.00 0.00 157 L 8.05 4.26 0.00 1.56 1.68 0.90 1.30 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 0.00 158 G 7.55 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 0.00 0.00 0.00 159 E 8.38 4.59 0.00 1.79 1.88 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 2.19 2.22 0.00 160 G 7.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.