NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2368 8.1727 120.1336 56.8012 34.8170 173.9651 2 V 4.5971 8.0948 121.7943 60.8767 32.4714 174.6699 3 F 4.4684 9.3570 127.8376 57.2394 40.2899 174.8550 4 E 4.1781 9.2019 122.6735 55.8511 30.7100 177.0672 5 R 3.3194 8.9520 124.9894 60.3127 29.9189 179.5723 6 C 4.2863 8.4429 115.2626 59.5936 35.6949 175.5093 7 E 3.8850 8.5320 121.2109 59.2491 29.2380 178.7446 8 L 3.5810 8.0561 120.0430 57.8714 42.0524 178.5713 9 A 3.9362 7.9760 120.8175 55.4830 18.3262 179.8892 10 R 3.8772 8.2068 116.5507 59.5507 30.0434 179.5963 11 T 3.8649 7.7755 115.5228 66.6647 68.5989 176.8931 12 L 3.8934 8.3482 121.2074 57.5163 41.6086 179.5790 13 K 3.9460 8.2327 119.8677 59.4657 31.9419 178.9642 14 R 3.9866 7.8124 118.0138 58.7827 29.9517 177.3157 15 L 4.4936 7.4825 117.3013 54.0712 41.7808 176.8480 16 G 3.9025 7.7614 105.8928 46.9357 0.0000 175.5419 17 M 3.8143 7.7612 121.7807 56.8583 32.2435 175.7484 18 D 4.6554 7.9984 117.7919 56.0334 41.1427 175.8230 19 G 3.9259 9.4873 115.8931 45.3987 0.0000 171.2652 20 Y 4.1747 8.2973 121.9154 58.5012 38.6235 175.8892 21 R 3.3364 8.8661 127.3382 57.3775 28.3649 176.8089 22 G 3.8621 8.3241 102.6487 44.9661 0.0000 174.0603 23 I 4.0527 7.5293 122.1677 59.5464 37.9123 175.9093 24 S 4.6214 8.3505 120.9423 57.9341 64.9678 174.7288 25 L 4.2325 8.7750 124.6065 58.6201 41.7677 179.4193 26 A 4.1399 8.1142 120.1482 55.2716 18.3953 179.2459 27 N 4.4186 8.1276 114.7980 56.2863 38.6241 177.7135 28 W 4.2462 8.1700 120.4105 59.9461 29.0083 178.5421 29 M 4.2023 8.5632 118.9431 58.5761 31.4835 177.8834 30 C 3.3229 8.1137 118.6744 59.1721 43.3225 175.2486 31 L 4.0401 8.1439 121.6186 58.3142 41.7164 178.8224 32 A 4.0783 8.1878 120.5905 54.9383 18.1652 179.3419 33 K 2.8283 8.2525 118.2864 59.3919 32.0483 178.9847 34 W 4.2587 7.8670 116.9582 58.8169 29.1197 178.5675 35 E 4.2711 8.4295 118.9365 58.8829 29.2118 177.8949 36 S 4.5490 7.8952 109.2511 56.8010 64.6574 174.0065 37 G 3.3559 7.4860 108.8157 46.8943 0.0000 172.6947 38 Y 3.6577 7.5865 112.2153 58.8083 35.6614 169.5472 39 N 5.3650 7.9192 118.6339 51.8471 40.3505 175.1759 40 T 4.1404 8.9134 116.9444 63.7868 69.0877 175.7934 41 R 4.4328 8.3658 119.9938 55.6387 30.8532 176.1103 42 A 4.3443 7.7088 121.9070 52.6420 19.3479 177.1263 43 T 5.0736 8.3085 110.2393 60.1492 72.6073 172.9798 44 N 4.8949 8.6933 121.5978 52.4748 42.3764 172.3152 45 Y 4.7438 8.7770 127.7874 56.7832 40.5137 174.4230 46 N 4.6150 8.4275 124.3963 51.2002 39.5619 175.2814 47 A 3.7915 8.5235 128.1351 54.9031 18.9697 178.8925 48 G 3.8361 8.2223 104.2302 48.4613 0.0000 173.9576 49 D 4.7675 7.7246 115.6032 51.7599 39.9047 175.7902 50 R 3.6640 7.6116 117.1692 57.5392 28.2709 176.1967 51 S 4.8861 7.8020 111.9344 57.5143 66.0143 172.7703 52 T 5.1015 9.0612 116.3726 61.9629 72.6780 172.8142 53 D 5.4540 9.0252 125.2342 53.2719 43.1434 175.1568 54 Y 4.9898 9.1365 120.6553 57.4352 42.0240 177.4198 55 G 4.4472 8.9568 111.3328 45.1762 0.0000 173.6264 56 I 3.6426 8.3662 117.4341 63.3952 37.8994 177.2837 57 F 4.6991 8.0098 115.5417 56.3301 39.9291 175.2851 58 Q 3.5955 7.9190 119.0772 57.1625 26.4571 173.8916 59 I 4.3174 8.3280 119.2939 61.1239 39.2137 176.8061 60 N 5.4060 9.1655 125.8962 53.4332 39.9718 175.4860 61 S 4.9143 8.9700 119.6776 59.7493 63.5792 175.5070 62 R 3.9883 8.9134 122.5381 59.7437 30.0850 177.4276 63 Y 3.6411 7.9676 118.9403 58.5972 40.0642 176.3940 64 W 4.8811 8.2428 118.1824 57.9152 31.1225 174.0694 65 C 5.5896 8.3355 112.4187 53.5251 43.9675 171.9490 66 N 5.1113 9.0977 119.1111 52.1897 39.7366 174.7583 67 D 4.6210 8.9857 124.6121 52.4099 40.6609 177.1277 68 G 3.9781 8.6876 108.2296 46.0159 0.0000 174.2366 69 K 4.6538 8.7988 115.9561 56.4688 33.7108 175.6935 70 T 4.6290 7.9138 116.0293 61.2555 70.3920 172.5592 71 P 4.3430 0.0000 0.0000 63.6732 31.9802 175.8027 72 G 3.8177 8.6211 106.3261 46.5445 0.0000 173.6675 73 A 4.3255 8.0812 122.2979 51.7018 19.1580 178.2640 74 V 3.6814 8.3723 122.7880 62.6241 33.3157 175.5048 75 N 4.1677 7.8857 116.1623 54.4364 36.8932 174.8409 76 A 3.9607 8.0739 122.3524 55.5221 19.0375 178.8466 77 C 4.4794 8.8316 112.2605 57.9175 40.9684 172.8719 78 H 3.9744 8.1567 118.6593 56.8665 28.2636 174.0715 79 L 4.8221 8.0873 117.9320 52.9684 46.3686 176.9538 80 S 4.6897 8.3650 117.6676 58.3817 63.7558 176.4222 81 C 4.1483 8.8362 122.3554 59.7826 37.5577 176.7199 82 S 3.8659 7.9098 115.3760 61.2497 62.2412 176.1743 83 A 4.1485 7.8257 123.2629 54.0760 18.1325 177.7979 84 L 4.5821 7.7741 117.0904 54.8029 41.7006 177.3506 85 L 5.7586 7.8441 116.7533 53.6787 42.4953 176.3195 86 Q 4.7368 7.8107 116.6634 54.0176 31.0197 175.6530 87 D 4.4077 8.6388 120.1393 57.3137 41.0649 176.9127 88 N 4.5645 8.0951 118.0879 53.3623 39.3010 174.5692 89 I 4.3717 8.3981 118.7742 60.9189 38.1227 177.0618 90 A 3.9370 8.4565 125.0518 56.0480 18.1619 180.2652 91 D 4.2850 8.1057 116.5151 57.4307 40.8625 178.7702 92 A 4.0853 7.9747 120.8125 55.1353 18.5096 179.6447 93 V 3.3454 8.2979 116.9961 66.0827 31.5976 178.1505 94 A 3.8245 8.0570 120.5616 55.2480 18.1199 178.8387 95 C 4.2733 8.4579 116.9081 59.6071 38.2205 175.6270 96 A 3.9340 8.1879 122.8003 54.9934 17.6792 179.7888 97 K 3.8820 7.7974 117.1162 59.4682 31.7830 179.5714 98 R 3.9595 7.6813 118.2298 59.2223 30.1519 178.3772 99 V 2.4477 7.5955 118.2117 65.7209 30.9546 178.1675 100 V 3.7952 7.7126 110.1874 62.8923 31.2223 178.2748 101 R 3.9836 7.5301 118.9963 58.5660 30.4813 176.6649 102 D 4.6184 7.3480 117.8989 53.4596 41.5351 175.3734 103 P 4.2445 0.0000 0.0000 65.9143 31.7787 177.9411 104 Q 3.9776 8.1171 118.7682 56.9308 30.3308 176.6769 105 G 3.7929 8.0044 106.9048 47.0698 0.0000 175.2365 106 I 3.9031 7.7199 120.4956 62.4825 38.1123 177.7339 107 R 4.2989 7.1882 116.4561 58.3292 30.0818 177.4794 108 A 4.1129 7.4182 120.0724 53.7302 18.6023 177.7176 109 W 4.6147 8.1135 116.9814 55.6035 29.6056 177.6315 110 V 3.7533 8.7527 124.8546 64.9537 30.7941 178.1549 111 A 4.0567 8.2289 120.8851 54.6000 18.2502 179.2281 112 W 4.0228 8.3654 126.7104 60.6396 30.5266 178.5337 113 R 3.9008 8.0757 116.9759 59.0366 29.7377 178.0140 114 N 4.4598 8.0565 114.5991 54.5303 38.8267 176.1167 115 R 4.0428 7.6224 116.5114 55.4111 32.4807 175.5565 116 C 4.4448 7.2579 113.0416 57.4212 42.4330 174.5471 117 Q 3.0854 6.8276 120.9676 56.9500 28.8542 175.6330 118 N 4.1412 8.5510 122.5063 54.5420 36.2512 174.0412 119 R 4.4722 7.4790 115.3153 53.8909 33.2339 173.8181 120 D 4.3962 8.7966 124.1113 55.0574 41.4706 175.8956 121 V 4.7534 8.3457 119.1613 61.3507 32.3644 178.0275 122 R 4.0726 8.3138 122.8928 59.2594 29.8728 179.1861 123 Q 4.0054 8.0911 115.5722 59.1057 28.6667 178.0675 124 Y 3.9222 7.8413 115.5742 60.0368 38.2791 176.7897 125 V 4.3970 7.7364 110.5296 60.2382 33.3234 175.1864 126 Q 4.0577 7.5566 121.6787 57.7209 29.0130 176.8645 127 G 3.9529 8.8490 111.7270 46.3788 0.0000 174.8388 128 C 4.3484 8.0772 116.3998 57.3907 40.7026 173.4418 129 G 3.7000 8.1097 106.7742 47.0245 0.0000 174.0131 130 V 4.0261 7.6592 116.3926 61.2395 32.4039 176.1698 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 K 8.17 4.24 0.00 1.65 1.88 0.00 1.10 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.18 7.81 2 V 8.09 4.60 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 0.88 0.00 0.00 0.95 0.00 0.00 3 F 9.36 4.47 0.00 2.81 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 4 E 9.20 4.18 0.00 2.04 1.81 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 2.30 2.40 0.00 5 R 8.95 3.32 0.00 1.94 1.91 0.00 3.40 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 6 C 8.44 4.29 0.00 3.24 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.53 3.88 0.00 2.18 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 2.49 2.36 0.00 8 L 8.06 3.58 0.00 1.37 1.36 -0.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.98 3.94 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 10 R 8.21 3.88 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.78 3.86 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 1.21 0.00 0.00 12 L 8.35 3.89 0.00 1.69 1.60 0.95 0.44 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 13 K 8.23 3.95 0.00 1.91 1.92 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.81 3.99 0.00 1.86 2.08 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.48 4.49 0.00 1.55 1.54 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.76 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 0.00 0.00 0.00 17 M 7.76 3.81 0.00 1.34 2.02 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 18 D 8.00 4.66 0.00 2.68 2.67 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 19 G 9.49 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 0.00 0.00 0.00 20 Y 8.30 4.17 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 3.34 0.00 1.62 2.01 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 22 G 8.32 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 23 I 7.53 4.05 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.63 -0.45 0.00 0.00 24 S 8.35 4.62 0.00 4.12 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.77 4.23 0.00 2.06 1.82 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 4.14 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 27 N 8.13 4.42 0.00 2.84 2.81 0.00 0.00 7.00 7.17 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 28 W 8.17 4.25 0.00 3.59 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 29 M 8.56 4.20 0.00 2.23 2.40 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 2.73 2.95 0.00 30 C 8.11 3.32 0.00 2.42 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 31 L 8.14 4.04 0.00 1.90 1.94 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.19 4.08 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 0.00 0.00 33 K 8.25 2.83 0.00 1.58 1.83 0.00 0.66 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.30 0.28 7.81 34 W 7.87 4.26 0.00 3.32 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 35 E 8.43 4.27 0.00 1.99 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 0.00 2.53 2.32 0.00 36 S 7.90 4.55 0.00 4.07 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 37 G 7.49 3.36 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 0.00 38 Y 7.59 3.66 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 39 N 7.92 5.36 0.00 2.77 2.76 0.00 0.00 7.02 7.24 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 40 T 8.91 4.14 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 41 R 8.37 4.43 0.00 1.93 2.02 0.00 3.19 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 42 A 7.71 4.34 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 43 T 8.31 5.07 4.06 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 1.26 0.00 0.00 44 N 8.69 4.89 0.00 2.91 2.85 0.00 0.00 6.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.78 4.74 0.00 2.92 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 46 N 8.43 4.61 0.00 2.50 2.60 0.00 0.00 6.62 7.82 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 47 A 8.52 3.79 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 48 G 8.22 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 49 D 7.72 4.77 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.61 3.66 0.00 2.06 2.21 0.00 3.25 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 51 S 7.80 4.89 0.00 4.05 4.01 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 52 T 9.06 5.10 4.21 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 0.66 0.00 0.00 53 D 9.03 5.45 0.00 2.73 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 54 Y 9.14 4.99 0.00 2.92 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 55 G 8.96 4.45 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 0.00 0.00 0.00 56 I 8.37 3.64 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.70 0.21 0.00 0.00 57 F 8.01 4.70 0.00 3.18 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 58 Q 7.92 3.60 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 59 I 8.33 4.32 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 1.13 0.00 0.00 60 N 9.17 5.41 0.00 2.98 3.00 0.00 0.00 6.98 7.20 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 61 S 8.97 4.91 0.00 4.14 4.39 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 62 R 8.91 3.99 0.00 1.96 2.15 0.00 3.08 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 63 Y 7.97 3.64 0.00 2.66 1.52 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 64 W 8.24 4.88 0.00 3.63 3.30 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 65 C 8.34 5.59 0.00 3.11 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 66 N 9.10 5.11 0.00 2.78 2.67 0.00 0.00 7.19 8.17 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 67 D 8.99 4.62 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.69 3.98 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 0.00 0.00 0.00 69 K 8.80 4.65 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.51 7.81 70 T 7.91 4.63 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 1.26 0.00 0.00 71 P 0.00 4.34 0.00 2.18 2.06 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 72 G 8.62 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 73 A 8.08 4.33 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 74 V 8.37 3.68 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 -0.03 0.00 0.00 0.56 0.00 0.00 75 N 7.89 4.17 0.00 2.91 2.71 0.00 0.00 7.09 7.75 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 76 A 8.07 3.96 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 77 C 8.83 4.48 0.00 3.33 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 78 H 8.16 3.97 0.00 3.24 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.09 4.82 0.00 1.74 1.48 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.69 0.00 3.84 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 81 C 8.84 4.15 0.00 2.14 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 82 S 7.91 3.87 0.00 4.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.83 4.15 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 84 L 7.77 4.58 0.00 1.89 1.79 1.05 0.40 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 85 L 7.84 5.76 0.00 1.80 1.69 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.81 4.74 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 7.06 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 87 D 8.64 4.41 0.00 2.63 2.67 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 88 N 8.10 4.56 0.00 2.70 2.75 0.00 0.00 6.90 7.94 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 89 I 8.40 4.37 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.01 0.99 0.00 0.00 90 A 8.46 3.94 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 91 D 8.11 4.29 0.00 2.72 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 92 A 7.97 4.09 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 93 V 8.30 3.35 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 0.69 0.00 0.00 0.94 0.00 0.00 94 A 8.06 3.82 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 95 C 8.46 4.27 0.00 3.13 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 96 A 8.19 3.93 0.76 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 0.00 0.00 97 K 7.80 3.88 0.00 1.67 1.42 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.83 7.81 98 R 7.68 3.96 0.00 1.86 2.19 0.00 3.48 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 99 V 7.60 2.45 1.82 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 -0.21 0.00 0.00 -0.44 0.00 0.00 100 V 7.71 3.80 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 1.05 0.00 0.00 1.40 0.00 0.00 101 R 7.53 3.98 0.00 2.03 2.19 0.00 3.37 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 102 D 7.35 4.62 0.00 3.03 2.60 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 0.00 103 P 0.00 4.24 0.00 2.02 2.12 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 104 Q 8.12 3.98 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 105 G 8.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.72 3.90 1.07 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.85 -0.69 0.00 0.00 107 R 7.19 4.30 0.00 2.03 2.05 0.00 3.25 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.59 0.00 108 A 7.42 4.11 0.82 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 0.00 109 W 8.11 4.61 0.00 3.55 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 0.00 110 V 8.75 3.75 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 0.95 0.00 0.00 0.97 0.00 0.00 111 A 8.23 4.06 1.56 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 0.00 112 W 8.37 4.02 0.00 3.45 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 0.00 113 R 8.08 3.90 0.00 2.07 2.01 0.00 3.35 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 114 N 8.06 4.46 0.00 2.58 2.71 0.00 0.00 6.83 6.94 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 0.00 115 R 7.62 4.04 0.00 1.10 0.66 0.00 2.21 0.00 0.00 2.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.72 0.00 116 C 7.26 4.44 0.00 1.46 2.57 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 0.00 117 Q 6.83 3.09 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 118 N 8.55 4.14 0.00 2.77 2.79 0.00 0.00 6.79 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 0.00 119 R 7.48 4.47 0.00 1.52 1.73 0.00 3.23 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 120 D 8.80 4.40 0.00 2.67 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 0.00 121 V 8.35 4.75 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 0.91 0.00 0.00 1.03 0.00 0.00 122 R 8.31 4.07 0.00 2.09 2.01 0.00 3.59 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 123 Q 8.09 4.01 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.91 0.00 0.00 0.00 0.00 0.00 2.15 1.42 0.00 124 Y 7.84 3.92 0.00 3.29 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 0.00 125 V 7.74 4.40 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 0.95 0.00 0.00 1.01 0.00 0.00 126 Q 7.56 4.06 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 127 G 8.85 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 0.00 0.00 0.00 128 C 8.08 4.35 0.00 3.10 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 0.00 129 G 8.11 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 0.00 130 V 7.66 4.03 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 0.75 0.00 0.00 0.96 0.00 0.00