NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2536 8.3293 121.7137 56.2387 30.9045 175.4363 4 H 3.9919 8.0762 111.7679 55.3164 28.7212 171.8796 5 G 4.1851 8.4386 109.9328 43.2166 0.0000 174.1422 6 A 3.9203 8.3474 119.5808 55.2509 18.1690 179.8731 7 L 3.7964 7.6811 115.9395 57.7500 41.9570 179.0782 8 E 3.8413 8.1463 118.6783 59.8439 29.4882 178.9254 9 T 3.8326 7.5116 115.5550 66.6275 68.4950 176.7641 10 L 3.5948 7.1768 119.6607 57.2693 41.3479 179.4815 11 K 3.7215 8.2947 120.1979 59.4194 32.1262 178.6495 12 D 4.2980 8.4002 119.6865 57.1699 40.6027 178.6005 13 L 3.8789 7.7836 120.5968 58.0651 42.1107 178.7957 14 A 4.0240 7.9653 120.7682 55.1517 18.2700 179.2337 15 E 3.9139 8.4498 117.9679 59.4419 29.6599 179.2608 16 K 4.0246 8.1031 118.5776 59.4728 32.0024 179.2139 17 E 3.9947 8.5467 119.2476 59.2465 29.2749 179.5698 18 V 3.6623 8.0138 118.2882 66.1913 31.6808 177.7770 19 D 4.4486 8.3183 118.6081 57.5559 40.6353 178.5320 20 D 4.3931 8.5194 119.3831 57.4674 40.8306 178.8162 21 A 4.0800 8.5524 121.3354 55.0993 18.2977 179.5609 22 A 3.7555 8.5396 119.5614 55.3386 18.3734 180.1424 23 R 3.8497 8.1287 116.6595 59.1388 30.0283 179.0172 24 L 4.2249 8.1286 121.6691 57.5585 42.0348 178.7258 25 L 4.0437 8.4418 120.8698 58.0980 41.9962 179.1422 26 G 3.5658 8.2422 105.9043 47.8407 0.0000 175.4977 27 E 4.0125 8.4365 121.3242 59.4659 29.4859 179.3959 28 M 4.5769 8.4277 118.9876 58.4817 32.0253 178.8810 29 R 3.8454 8.3018 119.0902 59.5046 30.2821 178.8122 30 R 3.9003 8.0837 118.0487 59.0555 29.9712 179.3419 31 G 2.0000 7.7003 105.5530 47.1775 0.0000 175.4110 32 C 3.8765 7.6398 121.1553 62.1220 31.6559 175.7296 33 Q 3.9129 7.9360 119.8121 58.8197 28.1839 178.4171 34 Q 3.8366 7.8133 120.4981 58.9385 29.0834 177.9442 35 A 3.9547 7.7363 121.9501 55.1027 18.2828 179.2567 36 E 3.9249 8.0296 117.5703 59.1748 29.6620 178.6652 37 E 3.8992 7.9831 119.3258 59.2458 29.6535 178.8249 38 Q 3.9301 8.2759 118.3600 58.7949 28.7698 178.4675 39 L 3.8980 7.9503 121.3734 57.8672 42.1537 178.7532 40 K 3.8559 8.3185 119.9222 59.9779 32.0592 178.4516 41 M 4.0733 8.1357 118.7751 58.5331 31.7798 178.8450 42 L 4.1048 7.7717 118.6159 57.9671 41.7568 179.6851 43 I 3.7418 7.8674 119.7677 64.2891 36.9058 178.3325 44 D 4.3852 8.2942 120.0353 57.4287 40.7081 177.9533 45 Y 4.4446 8.3627 120.3076 60.8157 38.6726 178.0794 46 Q 3.8959 8.3775 120.5326 59.3031 29.2321 177.9359 47 N 4.4449 8.5484 119.9922 57.1478 38.1118 177.8942 48 E 4.1074 8.7373 120.0686 61.3588 29.8589 180.3401 49 Y 4.3936 8.3907 120.3051 60.7164 38.7325 178.2302 50 R 4.0095 8.4520 119.2880 59.3556 30.1644 178.9410 51 S 3.5435 8.5854 114.7706 61.8256 62.9531 176.1538 52 N 4.5309 7.6576 117.6489 55.0229 39.2198 176.1085 53 L 4.1225 8.5224 123.4894 55.5490 39.5106 178.0444 54 N 4.5588 7.5511 116.4828 52.7107 39.5698 174.3235 *57 M 4.3232 7.9687 121.2311 53.8243 34.5437 177.6763 58 G 4.2821 7.4991 109.9940 44.2325 0.0000 172.1769 59 N 4.9107 8.0969 120.3198 52.7788 37.4698 179.8261 60 G 3.7848 9.0872 108.6112 48.0745 0.0000 175.2138 61 I 3.6433 7.9176 112.6059 63.4665 37.9271 177.2015 62 A 4.8982 7.8895 123.0576 51.1428 19.4555 178.8580 63 S 4.1642 7.8808 118.3680 62.9121 62.3729 175.6690 64 N 4.3658 8.3251 119.3905 56.0239 36.6911 177.1062 65 R 4.0371 7.9838 120.9187 59.0158 30.2763 178.1315 66 W 4.1917 8.2534 127.7287 60.5651 30.7130 177.7614 67 I 3.7170 8.3937 119.8232 64.5865 36.5520 178.0901 68 N 4.3591 8.5376 117.5807 56.4306 38.2952 176.6141 69 Y 4.7248 8.3314 122.5088 60.3824 38.9516 178.2463 70 Q 3.6098 7.8009 118.6048 58.9053 28.7687 178.8396 71 Q 3.8319 7.8831 120.3591 59.0672 29.1105 178.1048 72 F 4.0104 8.2930 121.8265 61.2253 39.4365 176.8008 73 I 3.0258 7.4009 118.3932 63.9693 37.7207 177.5943 74 Q 3.8366 7.6499 120.1474 59.3427 28.9666 178.3925 75 T 3.7347 7.4735 116.8368 66.3410 68.3892 176.5659 76 L 3.5847 7.6671 122.5440 57.9381 41.9313 178.5291 77 E 3.8028 8.2740 119.6402 59.1266 29.5189 178.9596 78 K 3.8642 7.8492 118.1096 59.3258 32.1017 179.1641 79 A 3.9875 7.6831 120.5702 55.2248 18.2359 179.6802 80 I 3.6643 8.0172 118.7060 64.5777 37.1520 178.5121 81 E 3.9512 8.3900 119.5160 59.6081 29.2652 179.4998 82 Q 3.9936 8.0109 117.8903 59.3316 28.7197 178.5985 83 H 4.2028 8.4860 117.3229 58.5044 28.7256 177.8742 84 R 3.9011 8.3758 121.1277 59.2584 29.9620 178.2593 85 L 3.9509 8.0551 120.1918 58.2697 42.0224 178.6874 86 Q 3.9872 8.3059 119.5627 59.1409 28.9268 178.0462 87 L 4.1555 8.2878 121.4424 58.5293 42.1243 179.0271 88 T 3.9369 8.0986 115.7032 66.7847 68.3973 176.6521 89 Q 3.9466 8.1156 119.9006 58.7145 28.6472 178.7905 90 W 4.1342 8.4354 120.1428 59.9796 29.0996 178.5812 91 T 3.9464 8.5062 116.1849 66.9057 67.9389 176.3753 92 Q 4.0153 8.1422 121.2807 59.1071 28.9616 178.4344 93 K 4.0093 8.0095 119.6049 59.2583 31.9744 179.5169 94 V 3.6415 8.2809 118.9180 66.1346 31.5243 177.6357 95 D 4.4210 8.2081 118.5881 57.6078 40.6196 179.0745 96 L 4.0318 8.0522 119.0455 57.7454 41.5881 179.4128 97 A 4.0443 8.4395 121.1879 54.9083 18.2362 179.5105 98 L 4.0219 8.3662 119.2522 58.3294 42.2448 179.2831 99 K 3.9971 8.1556 118.4571 59.5252 32.0033 179.1681 100 S 4.0917 8.3915 113.4978 61.1313 62.2479 175.9509 101 W 4.1683 8.5032 131.0456 60.5856 30.5006 177.8065 102 R 3.3922 8.3510 118.2853 59.3111 29.5137 178.9082 103 E 3.9185 8.0828 117.1062 59.3847 29.6323 179.2914 104 K 3.9474 8.0431 119.3780 58.7622 32.0436 179.2970 105 K 3.7136 7.7945 120.6005 59.4096 32.0215 178.9754 106 Q 3.9307 7.8361 118.3725 58.6995 28.6888 178.8233 107 R 3.7842 8.0444 119.5202 58.9443 30.0497 178.7225 108 L 4.1711 8.0442 120.1647 58.4556 42.0441 179.0230 109 Q 3.9715 8.0417 117.6568 58.9218 28.6746 178.8044 110 A 3.8292 7.7253 121.3105 54.9395 18.3734 179.7875 111 W 4.3359 7.9110 117.1355 59.7043 29.1066 178.6316 112 Q 4.0554 8.3696 119.9181 59.4963 28.5822 178.4248 113 T 3.8948 8.1839 116.9544 66.6291 68.4751 176.6009 114 L 4.0399 7.8514 120.3817 57.9702 41.5758 179.6136 115 Q 4.0761 8.3055 117.9688 59.0804 28.6241 178.5553 116 D 4.3775 8.2696 119.9216 57.5330 40.8658 179.1337 117 R 3.9971 8.0237 118.3937 59.0821 29.9351 178.9021 118 Q 4.0679 8.1057 119.6898 59.3603 29.0663 178.2565 119 T 3.8720 8.3410 117.0386 66.3674 68.3842 176.4878 120 A 3.9456 7.9926 122.4379 55.1512 18.4196 179.3854 121 A 3.9111 8.4855 119.3850 55.3229 18.3857 179.7113 122 A 3.9150 8.3491 119.5092 55.2355 18.5054 179.5917 123 L 3.8750 7.9773 118.8554 58.2697 42.1647 178.9767 124 L 3.9597 8.2171 120.2142 57.9583 41.9109 178.8356 125 A 3.9685 8.3677 121.2024 55.0338 18.3728 179.1303 126 E 3.8446 8.3522 118.0034 59.4185 29.2566 178.4655 127 N 4.2893 8.2320 116.9535 56.8628 39.0241 177.0995 128 R 4.0423 8.0186 119.5695 59.4871 29.8989 179.0009 129 M 4.1360 8.3587 117.0701 58.2995 31.0549 177.9675 130 D 4.3285 8.1848 118.7016 55.7186 41.2746 177.2304 131 Q 4.5877 7.5352 116.9726 55.6046 30.1580 177.4377 132 K 3.8651 8.1411 122.6745 59.6028 32.0430 178.4321 133 K 4.0751 7.3535 117.2436 59.5558 32.2333 177.0702 134 M 4.7716 7.6536 115.2448 54.9108 33.6647 175.9586 135 D 4.4973 8.4432 119.4937 57.2722 42.1461 177.5013 136 E 4.1000 7.9840 117.2891 59.4662 29.4799 179.0139 137 F 4.3481 8.3405 118.2933 60.1919 39.6299 174.5386 138 A 4.2309 7.7431 127.1680 52.9658 18.0712 177.0342 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 3 Q 8.33 4.25 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 4 H 8.08 3.99 0.00 3.33 3.28 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.44 4.19 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 0.00 6 A 8.35 3.92 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 7 L 7.68 3.80 0.00 1.71 1.78 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.15 3.84 0.00 2.05 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 2.37 2.61 0.00 9 T 7.51 3.83 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 1.18 0.00 0.00 10 L 7.18 3.59 0.00 0.87 0.13 0.51 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.29 3.72 0.00 1.75 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.89 7.81 12 D 8.40 4.30 0.00 2.81 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 13 L 7.78 3.88 0.00 1.70 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.97 4.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.45 3.91 0.00 2.25 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 0.00 2.34 2.39 0.00 16 K 8.10 4.02 0.00 2.04 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 17 E 8.55 3.99 0.00 2.18 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 0.00 2.50 2.50 0.00 18 V 8.01 3.66 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 1.25 0.00 0.00 0.97 0.00 0.00 19 D 8.32 4.45 0.00 2.92 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 20 D 8.52 4.39 0.00 2.94 2.76 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 21 A 8.55 4.08 1.60 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 22 A 8.54 3.76 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 23 R 8.13 3.85 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 24 L 8.13 4.22 0.00 1.88 1.90 1.01 0.32 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 25 L 8.44 4.04 0.00 1.81 1.70 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 3.57 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 0.00 27 E 8.44 4.01 0.00 2.25 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 0.00 2.36 2.64 0.00 28 M 8.43 4.58 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.02 0.00 29 R 8.30 3.85 0.00 1.82 1.99 0.00 3.03 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 1.55 1.61 0.00 30 R 8.08 3.90 0.00 1.92 1.83 0.00 3.12 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 31 G 7.70 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 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.64 3.88 0.00 3.21 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 33 Q 7.94 3.91 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 34 Q 7.81 3.84 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 35 A 7.74 3.95 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 36 E 8.03 3.92 0.00 2.15 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 0.00 2.30 2.44 0.00 37 E 7.98 3.90 0.00 2.22 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 2.27 2.31 0.00 38 Q 8.28 3.93 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 39 L 7.95 3.90 0.00 1.85 1.89 0.94 0.27 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 40 K 8.32 3.86 0.00 1.81 2.07 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 41 M 8.14 4.07 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 3.03 0.00 42 L 7.77 4.10 0.00 1.82 1.71 0.79 1.27 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 43 I 7.87 3.74 2.01 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 1.52 0.77 0.93 0.00 0.00 44 D 8.29 4.39 0.00 2.92 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 45 Y 8.36 4.44 0.00 3.15 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 46 Q 8.38 3.90 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 47 N 8.55 4.44 0.00 2.95 2.91 0.00 0.00 7.22 7.40 0.00 0.00 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 E 8.74 4.11 0.00 1.94 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 2.19 0.00 49 Y 8.39 4.39 0.00 3.27 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 50 R 8.45 4.01 0.00 2.25 2.02 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 51 S 8.59 3.54 0.00 3.81 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 52 N 7.66 4.53 0.00 2.87 2.90 0.00 0.00 7.21 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 53 L 8.52 4.12 0.00 1.34 1.55 0.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.55 4.56 0.00 2.64 2.73 0.00 0.00 7.08 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 *57 M 7.97 4.32 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 58 G 7.50 4.28 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 0.00 59 N 8.10 4.91 0.00 2.74 1.74 0.00 0.00 6.80 7.90 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 60 G 9.09 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 61 I 7.92 3.64 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 1.40 0.64 0.91 0.00 0.00 62 A 7.89 4.90 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 63 S 7.88 4.16 0.00 3.99 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 64 N 8.33 4.37 0.00 3.01 3.13 0.00 0.00 5.90 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 65 R 7.98 4.04 0.00 2.16 2.03 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 66 W 8.25 4.19 0.00 3.45 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 67 I 8.39 3.72 2.17 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.02 0.99 0.00 0.00 68 N 8.54 4.36 0.00 2.95 2.95 0.00 0.00 6.72 7.78 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 69 Y 8.33 4.72 0.00 3.15 3.09 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 70 Q 7.80 3.61 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 71 Q 7.88 3.83 0.00 2.10 2.17 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 2.37 2.34 0.00 72 F 8.29 4.01 0.00 2.99 2.73 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 73 I 7.40 3.03 1.33 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 1.10 0.64 0.66 0.00 0.00 74 Q 7.65 3.84 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 75 T 7.47 3.73 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 1.14 0.00 0.00 76 L 7.67 3.58 0.00 0.52 1.09 0.72 0.32 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 77 E 8.27 3.80 0.00 1.96 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 2.23 2.49 0.00 78 K 7.85 3.86 0.00 2.04 1.78 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 79 A 7.68 3.99 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 80 I 8.02 3.66 1.96 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 1.49 0.74 0.90 0.00 0.00 81 E 8.39 3.95 0.00 2.12 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 2.30 2.71 0.00 82 Q 8.01 3.99 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 83 H 8.49 4.20 0.00 3.27 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.38 3.90 0.00 2.12 1.93 0.00 3.27 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 85 L 8.06 3.95 0.00 1.80 1.92 0.91 0.60 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 86 Q 8.31 3.99 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00 87 L 8.29 4.16 0.00 1.96 1.92 0.96 0.72 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 88 T 8.10 3.94 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 1.22 0.00 0.00 89 Q 8.12 3.95 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 90 W 8.44 4.13 0.00 3.53 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 91 T 8.51 3.95 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 1.25 0.00 0.00 92 Q 8.14 4.02 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 93 K 8.01 4.01 0.00 2.10 1.88 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.33 7.81 94 V 8.28 3.64 2.31 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 1.15 0.00 0.00 1.08 0.00 0.00 95 D 8.21 4.42 0.00 2.98 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 96 L 8.05 4.03 0.00 1.87 1.74 0.92 0.86 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 97 A 8.44 4.04 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 98 L 8.37 4.02 0.00 1.91 1.98 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.16 4.00 0.00 2.06 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.68 7.81 100 S 8.39 4.09 0.00 4.00 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 0.00 101 W 8.50 4.17 0.00 3.46 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 0.00 102 R 8.35 3.39 0.00 2.09 1.91 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 103 E 8.08 3.92 0.00 2.17 2.17 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 2.62 2.36 0.00 104 K 8.04 3.95 0.00 1.90 1.89 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.45 7.81 105 K 7.79 3.71 0.00 0.85 1.35 0.00 1.35 0.00 0.00 1.29 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.77 1.21 7.81 106 Q 7.84 3.93 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 107 R 8.04 3.78 0.00 2.04 2.05 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 108 L 8.04 4.17 0.00 1.81 1.84 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.04 3.97 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 110 A 7.73 3.83 1.01 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 0.00 0.00 0.00 0.00 0.00 111 W 7.91 4.34 0.00 3.60 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 0.00 112 Q 8.37 4.06 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 113 T 8.18 3.89 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 1.19 0.00 0.00 114 L 7.85 4.04 0.00 2.08 1.84 1.10 0.81 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 0.00 115 Q 8.31 4.08 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 116 D 8.27 4.38 0.00 2.88 2.73 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 0.00 117 R 8.02 4.00 0.00 2.09 1.99 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 118 Q 8.11 4.07 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 119 T 8.34 3.87 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 0.00 120 A 7.99 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.91 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 0.00 122 A 8.35 3.92 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 0.00 123 L 7.98 3.87 0.00 1.87 1.83 0.93 0.33 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 0.00 124 L 8.22 3.96 0.00 2.04 1.65 0.92 1.09 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 0.00 125 A 8.37 3.97 1.38 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 0.00 0.00 0.00 126 E 8.35 3.84 0.00 2.20 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 2.31 2.52 0.00 127 N 8.23 4.29 0.00 2.98 2.99 0.00 0.00 7.28 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 0.00 128 R 8.02 4.04 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 129 M 8.36 4.14 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.92 0.00 130 D 8.18 4.33 0.00 2.79 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 0.00 131 Q 7.54 4.59 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 132 K 8.14 3.87 0.00 1.92 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.50 7.81 133 K 7.35 4.08 0.00 1.85 1.99 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.55 7.81 134 M 7.65 4.77 0.00 2.01 2.12 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 2.50 2.47 0.00 135 D 8.44 4.50 0.00 2.63 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 0.00 136 E 7.98 4.10 0.00 2.10 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 2.31 2.25 0.00 137 F 8.34 4.35 0.00 3.01 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 0.00 138 A 7.74 4.23 1.38 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.