NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2993 8.3044 120.3278 55.6542 33.2920 173.9319 2 L 3.9831 8.7092 125.8684 51.9618 42.8567 171.3193 3 Q 4.2559 8.8207 126.8641 54.8643 30.9541 171.1167 4 P 4.2677 0.0000 0.0000 63.1804 31.7117 177.4710 5 K 4.0900 8.4684 120.3063 56.9705 32.4785 176.8829 6 R 4.4423 6.7282 117.6296 56.3369 32.9666 173.2293 7 T 4.7933 7.4737 111.3998 59.8479 71.7844 175.1534 8 K 3.9660 8.6583 122.5601 58.6810 32.4307 177.4160 9 F 4.9764 7.3867 112.7361 55.3299 42.9164 174.8118 10 R 4.1596 9.0356 124.4399 58.7386 30.2110 176.9042 11 K 4.6660 7.8253 114.0653 54.6537 35.8571 175.1726 12 M 4.7594 8.0786 119.7962 53.4622 34.7131 174.8794 13 H 4.1072 8.2678 117.3179 57.0688 29.5474 176.2144 14 K 4.6968 9.4154 129.5608 57.5070 30.2734 176.2229 15 G 3.6695 7.2927 106.6635 46.6992 0.0000 170.0948 16 R 4.8550 8.1586 119.0992 54.8567 33.7136 174.0864 17 N 5.0521 8.2543 114.3120 53.5124 39.1285 175.1380 18 R 4.1401 7.9851 115.2053 56.3781 31.3350 177.6312 19 G 4.0297 8.6321 104.7598 45.4437 0.0000 173.0792 20 L 4.3198 7.8940 118.0713 53.2536 42.7030 177.1541 21 A 4.2257 8.5274 124.5597 52.8570 19.0337 177.4035 22 Q 4.3169 8.6219 117.3778 57.2750 30.8502 176.9530 23 G 3.8088 7.8262 109.7486 45.2345 0.0000 173.0246 24 T 4.7198 8.2619 118.1174 60.7344 68.7171 172.7746 25 D 4.6785 7.5810 117.5093 51.4742 42.4522 175.0272 26 V 3.7089 8.1962 120.2502 63.4168 31.3299 175.6999 27 S 4.4250 8.5657 121.0169 57.9140 63.8742 174.0140 28 F 4.2217 9.1890 118.8443 59.1877 41.4444 175.2954 29 G 4.0252 7.2032 111.1683 45.2468 0.0000 173.3160 30 S 4.4250 8.7006 115.0253 58.2913 65.4413 174.5815 31 F 5.2267 7.9417 116.7392 55.8407 43.3145 174.1084 32 G 4.4297 8.6230 106.4968 45.3653 0.0000 171.8062 33 L 4.7890 8.4873 122.4077 52.6805 43.2764 175.4888 34 K 4.4276 9.1500 127.3428 56.9895 33.9955 177.5177 35 A 4.0288 9.5618 129.4103 52.3090 18.0273 178.5503 36 V 3.6505 9.6815 119.0213 61.8000 30.7817 169.5083 37 G 4.0663 7.6804 106.4051 43.7540 0.0000 171.9574 38 R 4.7121 8.9533 118.8615 53.8376 32.5136 176.8872 39 G 3.9605 7.0585 107.6554 46.1998 0.0000 171.1608 40 R 5.0270 8.0036 116.2391 55.0989 32.3505 174.4840 41 L 5.4548 8.6007 121.3747 53.0213 43.6198 176.2018 42 T 5.1089 8.1057 107.6790 60.5134 69.5459 174.9674 43 A 4.0674 8.5866 130.1881 54.8632 17.5231 181.1724 44 R 4.1037 7.7620 113.7175 59.2245 29.9969 179.3263 45 Q 3.9820 7.5371 115.4074 58.8415 29.0024 178.2011 46 I 4.3353 7.8577 114.9164 64.2576 37.2257 177.0411 47 E 4.0850 9.1892 120.7443 57.9600 29.3320 179.5726 48 A 3.8674 8.3532 120.2089 55.0517 18.9227 179.4814 49 A 3.8418 8.4784 119.6445 55.7157 18.4737 179.5710 50 R 3.7259 8.1756 116.0337 60.2591 30.1390 178.1298 51 R 3.6905 8.7967 116.1788 59.6417 29.9597 178.2518 52 A 3.9749 7.9808 121.4654 55.8537 18.6679 178.7887 53 M 4.0392 8.4585 115.7003 60.0915 32.4964 177.9777 54 T 3.9804 8.4944 116.1030 64.7574 68.8592 172.6150 55 R 4.2353 7.1371 132.4350 56.3118 29.7925 176.3134 56 A 5.2622 7.8688 135.0000 53.0967 18.5288 178.2041 57 V 4.0952 8.1997 106.8434 60.6937 33.5067 177.7769 58 K 3.7642 7.7217 118.9648 57.2412 29.4704 176.9986 59 R 3.8398 8.2948 127.9997 58.7084 30.1792 176.3940 60 Q 3.8774 7.7031 117.8531 56.7959 29.2866 177.7421 61 G 4.0514 8.8927 103.1687 45.2076 0.0000 172.2558 62 K 4.5743 8.3135 118.2975 54.3685 35.8799 174.6246 63 I 5.3426 7.6983 124.3572 59.4113 40.7527 174.7139 64 W 4.7735 10.1673 126.0117 54.9962 32.4890 175.0685 65 I 4.6454 8.2789 123.1815 59.6991 38.0115 176.2927 66 R 3.9295 8.8939 126.4265 57.5638 30.3453 177.4383 67 V 4.4234 6.9593 111.8964 59.6309 33.8785 175.3126 68 F 4.5741 8.5810 123.4893 56.8684 43.5506 171.0750 69 P 3.7757 0.0000 0.0000 64.1405 30.6485 177.5149 70 D 4.8682 9.7093 128.1924 54.0942 39.8617 174.1939 71 K 4.5345 8.0887 122.1457 54.1776 32.8232 174.6434 72 P 2.9700 0.0000 0.0000 65.0488 31.5279 174.5308 73 I 2.6866 7.2885 129.5288 61.1616 33.9150 173.1234 74 T 4.7380 7.6480 114.8394 59.5922 71.4059 173.6941 75 E 4.5988 8.0488 121.1893 54.7749 33.0488 173.5997 76 K 4.2733 8.6753 128.8495 55.1737 32.8074 176.4644 77 P 4.6879 0.0000 0.0000 62.2518 30.8091 174.1121 78 L 4.0798 8.1578 121.3626 57.5494 42.2786 177.6883 79 A 4.3107 8.2283 125.2492 52.9033 19.4848 178.7507 80 V 3.5857 7.0175 114.7129 61.6723 31.5832 176.5558 81 R 4.1548 8.2475 122.3121 56.2582 30.9348 175.0967 82 M 4.2696 8.2968 118.6572 55.9282 32.6684 177.1680 83 G 3.9605 8.9876 111.4207 45.3416 0.0000 174.2863 84 K 4.1852 7.4915 120.8127 53.3720 30.6599 176.6978 85 G 3.9879 7.8607 106.5722 44.7316 0.0000 171.5188 86 K 4.1752 8.1471 121.0611 55.3881 33.1702 178.0474 87 G 3.8744 8.1737 110.9286 45.2458 0.0000 171.8947 88 N 4.9948 7.6889 115.6802 51.0188 41.3746 174.9185 89 V 3.6920 8.3358 123.3048 63.2820 31.4773 174.8812 90 E 4.7217 8.1937 128.4903 57.3061 31.8487 174.8517 91 Y 4.8979 7.0321 114.0457 56.0986 40.7188 173.5945 92 W 5.0852 9.0220 119.7434 54.9025 32.2406 175.3748 93 V 4.8639 9.2581 123.1155 59.8606 34.7156 174.1282 94 A 5.1329 8.7954 124.2107 50.0017 21.2309 175.8815 95 L 4.4651 8.7464 123.8492 54.8220 42.5976 176.7228 96 I 4.7648 8.7598 117.6405 58.9795 40.7483 174.5571 97 Q 5.0217 8.4431 121.9416 53.2338 32.5457 172.9579 98 P 4.4665 0.0000 0.0000 64.4965 31.7039 177.7147 99 G 3.9915 9.1348 111.1636 44.5738 0.0000 173.5569 100 K 4.1216 7.8448 121.9636 57.0920 33.3414 175.6434 101 V 4.2870 8.2314 126.7361 60.7218 32.3899 175.5296 102 L 4.1136 8.9974 126.7333 56.8530 42.4610 176.1975 103 Y 5.3395 7.7968 115.2117 56.2104 42.3370 173.8944 104 E 5.5016 9.4212 120.5316 55.1360 33.8023 174.6443 105 M 5.3186 9.6461 121.1229 55.0101 36.1020 172.5496 106 D 4.9980 9.5782 118.5371 54.1627 43.2391 176.5357 107 G 4.0511 7.9712 111.3413 44.0156 0.0000 173.0556 108 V 4.5278 7.1607 115.7601 60.5839 35.3903 171.8248 109 P 4.4600 0.0000 0.0000 63.2204 31.7063 177.5801 110 E 2.7572 8.2750 122.4629 58.5091 29.6566 178.9071 111 E 3.6865 8.1192 118.8194 59.5029 29.6117 179.1272 112 L 3.7475 8.1608 119.9617 58.1469 42.1663 178.1941 113 A 3.5735 7.7939 120.0413 55.4140 18.0026 179.2335 114 R 3.2852 7.3171 115.3517 59.4715 29.9171 178.7246 115 E 3.9230 7.7039 116.4992 59.5746 29.7996 179.1876 116 A 4.1114 8.4134 120.7619 55.0853 18.3409 179.7345 117 F 4.5237 8.7515 116.6813 60.9295 38.9239 177.6873 118 K 3.8487 8.7382 118.7320 59.5317 32.1230 178.1473 119 L 4.2136 7.7313 118.4999 57.4559 41.8249 178.9773 120 A 4.0144 7.9347 119.9498 54.8399 18.3855 179.1414 121 A 4.1721 8.3889 119.1228 54.6352 18.1568 178.8503 122 A 4.2652 7.6793 117.1356 53.2409 19.3055 178.6938 123 K 4.1953 8.1866 115.9092 56.2830 32.9560 176.8773 124 L 4.4880 6.7483 119.0868 53.3424 42.6393 174.5751 125 P 4.7833 0.0000 0.0000 62.3591 31.6466 175.3495 126 I 4.7002 7.2495 110.8756 58.8562 40.4621 175.1009 127 K 4.3779 8.5592 122.0633 57.0615 32.5754 176.1210 128 T 5.6524 8.2499 112.1871 59.7894 72.5076 172.3205 129 T 4.8023 9.1164 115.7035 60.6771 71.5792 171.8893 130 F 5.1787 8.8582 127.4620 57.3839 40.7390 175.2085 131 V 4.6442 7.8917 117.8974 60.0537 36.0207 174.8705 132 T 4.6899 8.3252 119.2442 61.5538 71.0920 174.1624 133 K 3.6180 8.6399 122.8266 58.6041 32.3836 174.6259 134 T 3.5531 7.8029 117.1744 63.7409 67.9731 172.5246 135 V 3.7314 8.2615 125.5640 65.4324 32.0815 175.3587 136 M 4.2878 7.6557 122.8812 55.6683 32.2962 174.0492 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 1 M 8.30 4.30 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 L 8.71 3.98 0.00 1.62 1.69 0.90 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.82 4.26 0.00 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.65 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 4 P 0.00 4.27 0.00 1.88 1.92 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.16 0.00 5 K 8.47 4.09 0.00 1.69 1.82 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.39 7.81 6 R 6.73 4.44 0.00 1.84 1.72 0.00 3.19 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 7 T 7.47 4.79 4.49 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 1.39 0.00 0.00 8 K 8.66 3.97 0.00 1.66 1.43 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.39 7.81 9 F 7.39 4.98 0.00 3.02 2.87 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 0.00 0.00 0.00 0.00 10 R 9.04 4.16 0.00 1.84 2.00 0.00 3.36 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 11 K 7.83 4.67 0.00 1.70 1.57 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.40 7.81 12 M 8.08 4.76 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 13 H 8.27 4.11 0.00 3.07 3.21 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.42 4.70 0.00 1.79 1.93 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.14 7.81 15 G 7.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.16 4.85 0.00 1.76 1.85 0.00 3.33 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 17 N 8.25 5.05 0.00 2.60 2.71 0.00 0.00 6.89 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 18 R 7.99 4.14 0.00 1.85 1.84 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 19 G 8.63 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 4.32 0.00 1.65 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.53 4.23 1.32 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 0.00 0.00 22 Q 8.62 4.32 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 G 7.83 3.81 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 0.00 0.00 0.00 24 T 8.26 4.72 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 1.19 0.00 0.00 25 D 7.58 4.68 0.00 2.68 2.51 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 26 V 8.20 3.71 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 0.81 0.00 0.00 0.89 0.00 0.00 27 S 8.57 4.43 0.00 3.35 3.53 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 28 F 9.19 4.22 0.00 1.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.20 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.70 4.42 0.00 2.72 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.94 5.23 0.00 3.16 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.62 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 0.00 0.00 0.00 0.00 33 L 8.49 4.79 0.00 0.73 1.34 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.15 4.43 0.00 1.81 1.64 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.58 7.81 35 A 9.56 4.03 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 36 V 9.68 3.65 2.18 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 0.80 0.00 0.00 0.95 0.00 0.00 37 G 7.68 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.95 4.71 0.00 1.78 1.82 0.00 3.40 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 39 G 7.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.00 5.03 0.00 1.94 1.91 0.00 3.09 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 41 L 8.60 5.45 0.00 1.71 1.64 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.11 5.11 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 1.27 0.00 0.00 43 A 8.59 4.07 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 0.00 0.00 44 R 7.76 4.10 0.00 1.83 1.97 0.00 3.07 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 45 Q 7.54 3.98 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 46 I 7.86 4.34 1.91 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 1.58 1.76 0.92 0.00 0.00 47 E 9.19 4.08 0.00 2.18 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 2.48 2.47 0.00 48 A 8.35 3.87 1.41 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 0.00 0.00 49 A 8.48 3.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.18 3.73 0.00 2.24 2.10 0.00 3.19 0.00 0.00 3.30 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 51 R 8.80 3.69 0.00 2.00 1.91 0.00 3.37 0.00 0.00 3.31 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 52 A 7.98 3.97 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 53 M 8.46 4.04 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 54 T 8.49 3.98 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 1.20 0.00 0.00 55 R 7.14 4.24 0.00 1.68 1.90 0.00 3.43 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 56 A 7.87 5.26 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 57 V 8.20 4.10 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 0.72 0.00 0.00 1.00 0.00 0.00 58 K 7.72 3.76 0.00 1.88 0.99 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 59 R 8.29 3.84 0.00 1.76 1.82 0.00 3.27 0.00 0.00 3.27 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 60 Q 7.70 3.88 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 61 G 8.89 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 62 K 8.31 4.57 0.00 1.67 1.43 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.84 7.81 63 I 7.70 5.34 1.83 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 1.49 0.81 1.10 0.00 0.00 64 W 10.17 4.77 0.00 3.20 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 65 I 8.28 4.65 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.87 0.00 0.00 66 R 8.89 3.93 0.00 1.89 2.02 0.00 3.50 0.00 0.00 3.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 67 V 6.96 4.42 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 0.59 0.00 0.00 0.74 0.00 0.00 68 F 8.58 4.57 0.00 2.96 2.86 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 69 P 0.00 3.78 0.00 1.70 1.71 0.00 2.71 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 1.74 1.98 0.00 70 D 9.71 4.87 0.00 3.14 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 71 K 8.09 4.53 0.00 1.92 2.02 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 P 0.00 2.97 0.00 1.77 1.49 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 73 I 7.29 2.69 1.27 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 1.40 0.89 -0.26 0.00 0.00 74 T 7.65 4.74 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 1.12 0.00 0.00 75 E 8.05 4.60 0.00 2.05 1.78 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 2.31 2.39 0.00 76 K 8.68 4.27 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 P 0.00 4.69 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 78 L 8.16 4.08 0.00 1.67 1.43 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.23 4.31 1.29 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 0.00 0.00 80 V 7.02 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 0.70 0.00 0.00 0.93 0.00 0.00 81 R 8.25 4.15 0.00 1.77 1.91 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 82 M 8.30 4.27 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 83 G 8.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.49 4.19 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 85 G 7.86 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 86 K 8.15 4.18 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 87 G 8.17 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.69 4.99 0.00 2.75 2.68 0.00 0.00 7.09 7.56 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 89 V 8.34 3.69 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 0.22 0.00 0.00 0.69 0.00 0.00 90 E 8.19 4.72 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 91 Y 7.03 4.90 0.00 2.96 2.84 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 92 W 9.02 5.09 0.00 3.30 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 93 V 9.26 4.86 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 0.79 0.00 0.00 1.08 0.00 0.00 94 A 8.80 5.13 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 95 L 8.75 4.47 0.00 1.56 1.78 0.96 0.86 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 96 I 8.76 4.76 1.87 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 1.30 0.64 0.97 0.00 0.00 97 Q 8.44 5.02 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 98 P 0.00 4.47 0.00 2.20 2.20 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 99 G 9.13 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 0.00 100 K 7.84 4.12 0.00 2.04 1.69 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 101 V 8.23 4.29 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 0.75 0.00 0.00 0.90 0.00 0.00 102 L 9.00 4.11 0.00 1.90 1.51 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.80 5.34 0.00 2.75 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 0.00 104 E 9.42 5.50 0.00 2.09 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 2.36 2.28 0.00 105 M 9.65 5.32 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.66 0.00 106 D 9.58 5.00 0.00 3.44 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 0.00 107 G 7.97 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 0.00 108 V 7.16 4.53 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 0.79 0.00 0.00 0.96 0.00 0.00 109 P 0.00 4.46 0.00 2.19 1.97 0.00 3.68 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 2.13 0.00 110 E 8.28 2.76 0.00 1.99 1.77 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 2.66 2.60 0.00 111 E 8.12 3.69 0.00 1.98 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 2.31 2.37 0.00 112 L 8.16 3.75 0.00 1.68 1.65 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.79 3.57 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.32 3.29 0.00 1.58 1.62 0.00 2.75 0.00 0.00 2.79 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 115 E 7.70 3.92 0.00 2.09 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 2.27 2.42 0.00 116 A 8.41 4.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.75 4.52 0.00 3.40 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 0.00 118 K 8.74 3.85 0.00 1.69 2.11 0.00 1.77 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 1.47 1.53 7.81 119 L 7.73 4.21 0.00 1.93 1.69 0.91 1.37 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 0.00 120 A 7.93 4.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.39 4.17 1.41 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 0.00 0.00 122 A 7.68 4.27 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 0.00 123 K 8.19 4.20 0.00 1.70 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.60 7.81 124 L 6.75 4.49 0.00 1.81 1.63 1.06 1.07 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 0.00 125 P 0.00 4.78 0.00 2.18 2.14 0.00 3.74 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 1.95 2.11 0.00 126 I 7.25 4.70 1.89 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 1.44 0.63 0.94 0.00 0.00 127 K 8.56 4.38 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 128 T 8.25 5.65 4.32 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 1.27 0.00 0.00 129 T 9.12 4.80 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 1.25 0.00 0.00 130 F 8.86 5.18 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.64 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 0.72 0.00 0.00 0.85 0.00 0.00 132 T 8.33 4.69 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 1.31 0.00 0.00 133 K 8.64 3.62 0.00 1.55 1.71 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.33 7.81 134 T 7.80 3.55 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 1.22 0.00 0.00 135 V 8.26 3.73 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 0.73 0.00 0.00 0.91 0.00 0.00 136 M 7.66 4.29 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00