NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4255 0.0000 0.0000 62.3887 33.0099 175.6872 6 T 4.1021 8.5489 122.9589 62.9150 69.6311 172.2956 7 K 4.7439 10.3718 128.4742 55.9323 33.9407 175.9860 8 V 3.7542 8.6673 127.9946 60.7846 35.2559 173.6353 *10 V 4.2421 8.1743 118.6860 62.8589 32.7142 175.1145 11 A 4.6939 8.6057 130.9478 51.5476 18.8636 176.8328 12 V 4.4445 8.7873 116.6538 59.5950 35.4037 174.7667 13 N 5.0922 8.3851 119.8323 51.2186 41.3310 173.0877 14 A 4.6802 8.5206 120.6275 51.4349 19.6249 177.4507 15 S 4.3416 8.7316 115.4514 58.2557 63.1079 174.5262 16 T 4.3866 8.4293 115.5784 62.0601 69.7730 175.3220 17 I 4.2449 7.6730 114.2895 62.0044 39.2412 176.4966 18 K 4.1658 7.7631 119.6779 55.2214 32.8695 176.4729 19 D 4.4898 8.5522 121.7437 54.4786 41.7569 175.2653 20 Y 4.3947 8.5016 125.7432 57.1735 39.3259 173.6951 21 P 3.0683 0.0000 0.0000 61.9373 32.3110 175.6057 22 N 4.1131 7.5588 116.6119 53.3105 39.0827 173.6372 23 P 4.7074 0.0000 0.0000 62.1849 32.2977 176.3624 24 S 4.2876 8.8954 114.9068 58.3172 63.7092 175.4677 25 I 3.7096 8.5287 123.5935 64.6678 36.8347 178.8631 26 S 4.1513 8.0262 114.7514 61.6753 62.8919 176.0865 27 C 4.2944 8.0972 117.7881 60.1723 29.5456 175.8259 28 K 4.2190 8.3334 122.4215 59.5680 31.8401 178.6660 29 R 4.0045 8.4604 119.1337 59.4618 29.9989 178.2820 30 A 4.1376 8.3468 120.5429 55.1013 18.4104 179.2977 31 F 4.2756 8.9123 119.5659 61.7937 39.5303 177.2733 32 E 3.8753 8.9200 118.5973 58.9950 29.2085 179.1757 33 W 4.0190 8.8057 128.9360 60.7017 30.7204 178.1026 34 T 3.6422 8.2364 115.6742 66.6263 67.9310 176.5506 35 L 3.6855 7.4831 120.6943 57.5932 41.3425 179.4434 36 E 3.7145 7.8342 117.3775 59.1485 29.5711 178.9111 37 K 3.9453 7.4688 115.8671 56.7110 32.8029 178.0520 38 I 3.8796 6.5739 117.8849 63.1194 38.5714 177.6897 39 V 3.0566 7.4364 119.0518 64.9660 31.5698 176.6299 40 R 3.4267 7.8598 118.4800 57.6853 29.2974 177.5403 41 S 4.3856 8.5733 118.0502 60.2246 64.3262 174.8750 42 N 4.7145 8.0120 122.1205 52.7578 36.9310 175.8478 43 T 4.1574 7.6709 114.0611 63.7581 68.3559 175.3202 44 S 4.6271 7.9110 113.6231 59.0530 63.9935 174.3786 45 D 4.4112 8.0529 121.0550 55.3844 41.0752 175.6826 46 F 5.3406 7.7266 116.5767 55.4082 43.3335 174.0536 47 K 4.8017 9.3200 122.6880 54.8823 35.4721 174.7692 48 I 4.7922 8.8174 128.5090 60.0929 39.1196 174.6192 49 L 5.2131 9.1123 127.7877 53.2644 43.3859 175.8863 50 L 4.4704 9.1327 125.6826 52.8767 43.6994 175.5103 51 L 4.1068 8.0943 126.2104 52.9879 44.8841 174.2665 52 H 5.2505 8.2977 125.7852 53.4527 32.4357 172.4754 53 V 4.5705 8.1154 125.5506 61.5295 32.9018 174.3990 54 Q 4.4991 8.8059 129.3546 54.6352 30.6254 176.3598 55 V 3.6966 8.3640 124.5718 64.8401 32.2727 176.0865 *66 S 4.1701 7.6298 114.4598 58.0664 62.8013 171.5247 67 I 4.5501 7.5017 122.9311 59.2169 39.5107 174.8558 68 Y 4.3175 8.5914 121.2571 56.1638 40.2743 175.2483 69 A 4.7410 8.7839 125.8581 51.6800 20.9252 175.5236 70 S 4.7419 7.6775 108.7574 55.1873 65.9008 173.5495 71 P 4.6300 0.0000 0.0000 66.2149 30.9493 178.5402 72 E 4.0562 8.3989 116.7249 59.8396 29.1410 179.0514 73 D 4.3891 7.9789 117.5417 56.8606 40.8446 178.3529 74 F 4.6160 8.0336 118.0379 60.2253 39.0477 177.7796 75 R 4.2719 8.0978 116.7185 58.1356 30.1423 177.0408 76 D 4.2607 7.6108 118.9090 54.7284 41.3543 176.3714 *85 G 4.1051 8.7469 113.0664 45.6409 0.0000 174.6657 86 L 3.9828 7.9685 119.8168 57.9864 41.4622 179.2514 87 H 4.2095 8.1907 114.1878 58.1443 28.8775 177.3448 88 L 4.0696 7.8169 122.1550 58.1561 42.0306 178.6280 89 L 4.0109 7.8527 118.9384 57.9286 41.5842 179.0532 90 E 3.9108 8.4305 119.2319 59.3144 29.4578 178.6164 91 F 3.9787 8.0998 120.2134 61.4339 39.3942 177.1641 92 F 3.6197 8.2743 116.7500 59.9869 38.7107 177.9273 93 V 3.6624 8.1128 118.3023 65.9157 31.2545 177.8020 94 N 4.2780 8.1977 116.2871 56.2774 38.1347 177.4283 95 K 3.8353 7.5157 119.2947 59.6597 32.1583 179.2103 96 C 4.3081 8.3921 116.9377 63.1183 28.1591 175.5871 97 H 4.1620 8.5685 120.1058 59.3838 29.2013 177.0734 98 E 3.9878 8.2803 119.7117 58.7019 29.4235 178.4280 99 I 4.2874 7.3434 108.5627 60.2106 38.2557 176.3026 100 G 3.8394 7.6447 108.2366 46.0396 0.0000 173.6235 101 V 4.4750 7.1393 112.6602 59.3719 32.5462 176.7301 102 G 3.9901 8.7509 112.5908 46.7818 0.0000 171.9889 103 C 5.5840 8.5096 116.8206 56.7734 33.1655 172.9442 104 E 5.0243 9.4437 118.6881 54.7480 33.3342 174.6699 105 A 5.3073 8.7826 124.1349 50.3075 22.6406 174.8429 106 W 5.0155 8.2663 117.1503 56.0170 32.2656 172.9850 107 I 5.4305 8.4776 119.8598 58.6705 39.4887 175.3535 108 K 4.8826 8.5509 123.4657 55.0100 36.5784 174.7919 109 T 4.8588 9.0618 117.3231 62.6407 71.1449 174.5066 110 G 3.6008 7.8025 110.3111 44.5164 0.0000 172.7708 111 D 4.3640 8.6224 120.8459 53.3335 42.0102 175.6835 112 P 4.1837 0.0000 0.0000 65.8417 31.1076 178.6936 113 K 3.9278 7.7543 116.8260 59.7818 32.5434 178.6573 114 D 4.2793 7.5553 118.7085 57.0287 41.1612 178.4238 115 V 4.3557 7.9620 120.4617 65.5228 31.4697 177.7426 116 I 3.7027 7.9392 119.8602 64.9869 37.1596 178.1397 117 C 4.2461 7.9247 116.7899 62.9678 27.9090 176.2223 118 Q 4.0913 8.5355 120.1133 59.1053 28.2560 178.7587 119 E 4.1572 8.9206 119.9486 59.0222 29.4953 179.4841 120 V 3.6660 8.1660 119.0402 65.9187 31.4708 178.2153 121 K 4.1187 7.8478 116.1734 59.0636 32.5214 178.6785 122 R 4.1412 7.4693 119.2726 59.0720 30.4472 178.0234 123 V 3.7038 8.1956 116.6508 63.0644 32.9282 175.8315 124 R 3.8337 7.8973 116.5304 56.5779 27.6545 173.7455 125 P 4.6184 0.0000 0.0000 62.3649 32.9102 177.0600 126 D 4.7883 8.8156 120.2660 57.3942 41.2404 176.3389 127 F 5.1377 7.7442 110.5183 55.9276 41.1494 173.1727 128 L 4.7302 9.1858 121.2938 53.2296 44.6479 174.8692 129 V 4.6733 8.3982 125.6435 61.3437 34.0087 174.5356 130 V 4.8152 8.3340 120.0397 59.3617 35.8343 175.7944 131 G 4.1836 8.6939 111.5408 46.5510 0.0000 172.2785 132 S 4.7732 8.4981 112.2367 57.4915 65.7319 175.4238 133 R 4.1615 8.9876 124.8187 56.1139 30.5670 176.3016 134 G 3.8216 7.7504 105.8865 46.7476 0.0000 174.4571 135 L 4.3426 7.8697 116.2457 52.6556 40.7579 176.2043 136 G 3.7198 7.1782 116.4234 46.5089 0.0000 174.2784 *145 T 4.2520 6.5252 110.0550 60.8448 71.5859 176.3533 146 V 3.5723 7.6898 119.8419 65.2757 32.2348 178.5968 147 S 4.1695 8.0968 113.2801 61.4975 62.7781 176.0730 148 A 4.0379 8.0096 123.9166 54.7411 18.1569 179.2630 149 F 4.1066 8.2755 118.9084 61.4463 39.4929 177.2529 150 C 4.2281 8.4668 116.4729 62.9830 27.7953 176.0302 151 V 3.5853 7.4796 118.2597 66.1320 31.0629 177.6837 152 K 3.9527 7.5528 117.7965 58.9915 32.1135 177.0985 153 H 4.6201 7.7934 113.3403 55.6647 31.0935 174.4727 154 A 4.1436 8.1877 122.0315 52.9676 18.4914 176.9015 155 E 4.7090 8.6144 120.2850 56.1524 30.2498 175.6063 156 C 4.9452 7.7453 111.3988 55.8161 33.1769 171.5928 157 P 4.3599 0.0000 0.0000 63.8027 32.1690 175.8707 158 V 5.5880 7.8016 121.4661 60.6793 34.8662 173.7439 *160 T 4.3690 8.3903 114.8409 63.8197 69.8603 173.6158 161 I 4.3263 8.4749 126.6355 59.4160 40.1459 175.3503 162 K 5.0257 8.3514 125.9822 54.1955 33.8375 176.9447 163 R 4.1785 8.3377 120.6719 55.8086 31.1520 176.7717 164 N 4.4986 8.4228 117.0872 53.0081 39.3331 176.3358 165 A 4.0130 8.7420 124.0669 55.5178 18.4830 179.3124 166 D 4.6179 8.0424 112.4776 54.5516 39.8915 176.3891 167 E 4.5962 7.9250 116.1167 56.1069 30.2755 175.6747 168 T 4.2123 7.5919 117.6617 62.4545 68.9647 173.1960 169 P 4.5012 0.0000 0.0000 61.9416 32.1715 176.4975 170 S 4.0939 8.7348 115.6642 61.0135 63.0782 174.0531 171 D 4.6827 7.8566 121.3020 51.6963 41.0690 174.8576 172 P 4.2819 0.0000 0.0000 65.3109 31.6306 177.9774 173 A 4.1090 8.3073 120.8395 54.8906 18.5479 177.0597 174 D 4.5436 7.8384 119.4795 54.8652 40.7854 176.2260 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 5 P 0.00 4.43 0.00 1.92 2.01 0.00 3.61 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 1.90 2.09 0.00 6 T 8.55 4.10 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 1.59 0.00 0.00 7 K 10.37 4.74 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 8 V 8.67 3.75 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 0.56 0.00 0.00 0.79 0.00 0.00 *10 V 8.17 4.24 2.07 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 0.98 0.00 0.00 1.04 0.00 0.00 11 A 8.61 4.69 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 12 V 8.79 4.44 1.25 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 -0.11 0.00 0.00 0.48 0.00 0.00 13 N 8.39 5.09 0.00 2.76 2.90 0.00 0.00 6.12 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 14 A 8.52 4.68 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 4.34 0.00 4.02 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 16 T 8.43 4.39 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 17 I 7.67 4.24 1.87 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 0.70 0.95 0.00 0.00 18 K 7.76 4.17 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.36 7.81 19 D 8.55 4.49 0.00 2.68 2.55 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 20 Y 8.50 4.39 0.00 2.91 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 21 P 0.00 3.07 0.00 1.81 1.72 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 22 N 7.56 4.11 0.00 2.79 2.57 0.00 0.00 6.82 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 23 P 0.00 4.71 0.00 2.11 1.98 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 24 S 8.90 4.29 0.00 3.99 4.23 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 25 I 8.53 3.71 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 1.69 0.68 0.99 0.00 0.00 26 S 8.03 4.15 0.00 4.14 4.14 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 27 C 8.10 4.29 0.00 3.39 3.26 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 28 K 8.33 4.22 0.00 1.92 2.07 0.00 1.40 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.73 1.50 7.81 29 R 8.46 4.00 0.00 2.20 2.16 0.00 3.30 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 30 A 8.35 4.14 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 0.00 0.00 0.00 0.00 0.00 31 F 8.91 4.28 0.00 3.54 3.69 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 32 E 8.92 3.88 0.00 2.26 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 2.44 2.71 0.00 33 W 8.81 4.02 0.00 3.47 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.24 3.64 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 1.18 0.00 0.00 35 L 7.48 3.69 0.00 1.41 1.47 0.42 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.83 3.71 0.00 1.87 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 2.25 0.00 37 K 7.47 3.95 0.00 0.79 1.31 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.70 1.26 7.81 38 I 6.57 3.88 1.66 0.00 0.00 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 0.83 0.85 0.42 0.00 0.00 39 V 7.44 3.06 1.99 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 1.03 0.00 0.00 0.55 0.00 0.00 40 R 7.86 3.43 0.00 1.92 1.58 0.00 3.13 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 1.57 1.55 0.00 41 S 8.57 4.39 0.00 3.96 3.95 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 42 N 8.01 4.71 0.00 3.07 2.90 0.00 0.00 6.57 6.39 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 43 T 7.67 4.16 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 1.22 0.00 0.00 44 S 7.91 4.63 0.00 4.00 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 45 D 8.05 4.41 0.00 2.88 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 0.00 0.00 0.00 46 F 7.73 5.34 0.00 2.91 2.93 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 47 K 9.32 4.80 0.00 1.79 1.65 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 48 I 8.82 4.79 2.03 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 1.33 0.86 1.15 0.00 0.00 49 L 9.11 5.21 0.00 1.60 2.08 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.13 4.47 0.00 1.34 1.18 0.94 0.19 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 51 L 8.09 4.11 0.00 0.99 1.12 0.59 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.30 5.25 0.00 3.13 3.01 0.00 5.86 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.12 4.57 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 0.87 0.00 0.00 0.86 0.00 0.00 54 Q 8.81 4.50 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 55 V 8.36 3.70 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 0.85 0.00 0.00 0.89 0.00 0.00 *66 S 7.63 4.17 0.00 4.07 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 67 I 7.50 4.55 1.78 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 1.34 0.81 0.90 0.00 0.00 68 Y 8.59 4.32 0.00 2.69 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 0.00 0.00 0.00 69 A 8.78 4.74 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.68 4.74 0.00 4.01 3.95 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 71 P 0.00 4.63 0.00 2.27 2.25 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 72 E 8.40 4.06 0.00 2.02 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 2.44 2.46 0.00 73 D 7.98 4.39 0.00 2.58 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.03 4.62 0.00 3.32 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 75 R 8.10 4.27 0.00 2.00 2.04 0.00 3.26 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 76 D 7.61 4.26 0.00 2.79 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 *85 G 8.75 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 86 L 7.97 3.98 0.00 1.72 1.66 0.93 1.15 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 87 H 8.19 4.21 0.00 3.08 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.82 4.07 0.00 1.65 1.85 0.90 0.35 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 89 L 7.85 4.01 0.00 2.00 1.73 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.43 3.91 0.00 2.11 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 0.00 2.31 2.33 0.00 91 F 8.10 3.98 0.00 3.01 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 92 F 8.27 3.62 0.00 3.06 2.53 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 93 V 8.11 3.66 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.04 0.00 0.00 94 N 8.20 4.28 0.00 2.83 2.71 0.00 0.00 7.02 7.54 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 95 K 7.52 3.84 0.00 2.03 2.06 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.66 1.19 7.81 96 C 8.39 4.31 0.00 3.26 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.57 4.16 0.00 3.33 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.28 3.99 0.00 2.18 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 0.00 2.33 2.40 0.00 99 I 7.34 4.29 1.83 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 1.43 0.57 0.87 0.00 0.00 100 G 7.64 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 0.00 0.00 0.00 101 V 7.14 4.48 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 1.10 0.00 0.00 1.02 0.00 0.00 102 G 8.75 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 0.00 103 C 8.51 5.58 0.00 3.15 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 0.00 104 E 9.44 5.02 0.00 2.09 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 2.28 2.30 0.00 105 A 8.78 5.31 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 0.00 106 W 8.27 5.02 0.00 3.46 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 0.00 107 I 8.48 5.43 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.94 0.00 0.00 108 K 8.55 4.88 0.00 1.69 1.73 0.00 1.84 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.75 1.81 7.81 109 T 9.06 4.86 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 1.27 0.00 0.00 110 G 7.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.62 4.36 0.00 2.73 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 0.00 112 P 0.00 4.18 0.00 2.13 2.04 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 113 K 7.75 3.93 0.00 1.79 1.89 0.00 1.09 0.00 0.00 1.49 0.00 0.00 2.26 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 0.21 7.81 114 D 7.56 4.28 0.00 2.78 2.63 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 0.00 115 V 7.96 4.36 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 0.95 0.00 0.00 1.10 0.00 0.00 116 I 7.94 3.70 1.92 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 1.49 0.55 0.96 0.00 0.00 117 C 7.92 4.25 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.54 4.09 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 119 E 8.92 4.16 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 120 V 8.17 3.67 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 1.11 0.00 0.00 1.05 0.00 0.00 121 K 7.85 4.12 0.00 2.02 2.11 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.58 7.81 122 R 7.47 4.14 0.00 1.83 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 123 V 8.20 3.70 2.30 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 0.95 0.00 0.00 0.95 0.00 0.00 124 R 7.90 3.83 0.00 1.98 1.95 0.00 3.23 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 125 P 0.00 4.62 0.00 2.34 2.10 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 D 8.82 4.79 0.00 2.87 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 0.00 127 F 7.74 5.14 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.19 4.73 0.00 1.83 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.40 4.67 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 1.12 0.00 0.00 1.21 0.00 0.00 130 V 8.33 4.82 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 0.81 0.00 0.00 0.97 0.00 0.00 131 G 8.69 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.50 4.77 0.00 3.92 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 0.00 133 R 8.99 4.16 0.00 1.84 2.15 0.00 3.51 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 134 G 7.75 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 0.00 0.00 0.00 135 L 7.87 4.34 0.00 1.63 1.67 0.89 0.92 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 0.00 136 G 7.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 T 6.53 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 146 V 7.69 3.57 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 1.10 0.00 0.00 0.90 0.00 0.00 147 S 8.10 4.17 0.00 4.11 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.01 4.04 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 0.00 149 F 8.28 4.11 0.00 3.33 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.47 4.23 0.00 3.24 3.05 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 0.00 151 V 7.48 3.59 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 0.77 0.00 0.00 0.94 0.00 0.00 152 K 7.55 3.95 0.00 1.82 1.43 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.31 7.81 153 H 7.79 4.62 0.00 2.71 3.06 0.00 5.73 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 0.00 154 A 8.19 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.61 4.71 0.00 2.00 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 2.26 2.31 0.00 156 C 7.75 4.95 0.00 3.17 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 0.00 157 P 0.00 4.36 0.00 2.19 2.06 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 158 V 7.80 5.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.01 0.00 0.00 *160 T 8.39 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 161 I 8.47 4.33 1.84 0.00 0.00 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 0.68 1.13 0.74 0.00 0.00 162 K 8.35 5.03 0.00 1.57 1.69 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.24 7.81 163 R 8.34 4.18 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 164 N 8.42 4.50 0.00 2.92 2.76 0.00 0.00 7.11 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 0.00 165 A 8.74 4.01 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 0.00 166 D 8.04 4.62 0.00 2.81 2.81 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 0.00 0.00 0.00 0.00 167 E 7.92 4.60 0.00 2.10 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 2.38 2.24 0.00 168 T 7.59 4.21 4.35 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 1.21 0.00 0.00 169 P 0.00 4.50 0.00 2.24 1.98 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 170 S 8.73 4.09 0.00 3.97 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 0.00 171 D 7.86 4.68 0.00 2.69 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 0.00 172 P 0.00 4.28 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 173 A 8.31 4.11 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 0.00 174 D 7.84 4.54 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.