NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4444 8.3001 120.3270 55.5358 32.5039 174.4789 2 A 4.8628 8.6865 125.3158 49.6945 21.1406 174.2233 3 A 3.6189 9.1462 117.6180 53.0537 17.0941 173.4590 4 E 3.6411 8.1089 126.0304 57.8302 28.0763 173.5267 5 E 4.5951 8.0321 128.9292 55.5765 31.3247 177.3770 6 G 4.2211 8.5714 110.6080 47.2405 0.0000 173.5637 7 V 4.2595 7.0825 113.4496 58.6052 34.1488 175.4283 8 V 3.8952 8.2644 113.9725 62.0342 31.0807 176.5043 9 I 3.7843 8.4511 126.4086 60.7049 38.5638 175.1506 10 A 5.4933 7.6810 121.5564 49.3516 17.1138 175.3736 11 C 4.0021 7.7679 123.2885 60.3479 32.6753 173.4884 12 H 5.1502 7.7852 115.7515 55.6712 30.3405 173.7477 13 N 4.4392 8.6340 113.7779 52.5320 38.0083 173.8715 14 K 3.9920 7.1015 121.9296 58.2192 32.0826 177.1866 15 D 4.4527 7.7508 116.2361 57.5268 40.2391 179.1737 16 E 4.0142 8.2589 118.7294 59.2390 29.6759 178.6850 17 F 4.3143 8.8274 121.1224 61.5553 39.2832 177.0135 18 D 3.5754 8.2963 117.6699 56.9337 40.5327 178.1268 19 A 3.8726 7.1979 120.2707 54.7199 18.4132 178.6049 20 Q 4.2683 7.1537 113.0709 58.0395 29.9163 177.5567 21 M 3.8113 7.1300 117.7903 58.5474 32.3757 177.2772 22 T 4.1994 7.9988 114.7440 65.0782 69.1867 175.9227 23 K 4.5471 8.4073 119.8872 56.5080 32.2397 177.0028 24 A 4.5925 7.8381 123.1232 53.5831 20.8768 179.8598 25 K 4.0074 8.1320 113.6764 59.7001 33.1362 177.9687 26 E 4.1576 8.1702 117.0663 58.1699 30.3531 178.3428 27 A 3.8805 7.8899 121.4303 53.0926 18.5998 177.5155 28 G 3.8979 8.0633 100.7004 45.8893 0.0000 173.0862 29 K 4.7599 7.7921 116.4573 54.3435 36.3316 176.1778 30 V 3.8725 8.4595 121.3138 63.0937 33.1759 174.6260 31 V 4.4487 8.1432 122.9392 61.1981 34.7895 174.7560 32 I 3.6989 7.6465 126.3323 59.6807 40.2618 173.1754 33 I 4.4862 8.5066 128.8622 59.7748 39.3412 174.8971 34 D 4.3396 8.8759 128.5791 52.3169 40.9265 176.8463 35 F 4.9509 8.8605 124.8975 58.8514 40.8055 173.3601 36 T 4.8306 8.4694 120.8574 62.6827 68.8030 173.3988 37 A 4.1280 8.2425 132.8892 53.7269 19.0575 177.0418 38 S 4.4092 7.4882 111.0311 58.6884 70.0800 177.0777 39 W 4.4040 8.3228 118.8340 57.3703 29.7052 176.5139 40 C 4.2819 8.3141 118.9114 61.0894 27.4161 171.7224 41 G 4.1095 8.7202 105.9997 44.2302 0.0000 173.1990 42 P 4.2327 0.0000 0.0000 66.3310 32.1330 178.7573 43 C 4.6644 8.3138 116.1833 58.9444 29.9785 172.7804 44 R 4.7971 7.8877 117.0605 57.1646 37.7400 177.5302 45 F 4.0250 8.4587 118.3795 60.7520 39.7089 175.3832 46 I 3.8298 7.6123 117.4771 60.4786 37.8873 176.3857 47 A 3.7924 7.3210 121.5602 55.0286 17.9618 178.0031 48 P 4.3606 0.0000 0.0000 63.8579 31.5679 177.3194 49 V 4.2637 6.9639 120.2018 65.2001 32.0044 177.0090 50 F 4.5767 7.1811 117.3903 59.5789 38.1814 177.0262 51 A 4.1561 8.1842 119.8086 55.8120 18.5390 179.5414 52 E 3.7367 8.1558 115.1323 59.6871 29.5639 178.8891 53 Y 4.2898 8.2488 117.6426 60.8940 37.7665 177.6073 54 A 2.0000 7.6454 120.8711 54.6274 18.3564 179.5952 55 K 4.0469 7.1892 114.9660 59.3953 32.3620 179.4140 56 K 4.1323 7.6936 117.3991 57.7519 32.3788 176.8584 57 F 4.5672 8.1384 118.6399 54.7011 38.7129 174.0205 58 P 4.5677 0.0000 0.0000 64.0761 31.7412 177.5565 59 G 4.0922 8.2448 108.3292 45.3257 0.0000 172.8023 60 A 5.4286 7.6178 119.3534 50.8279 22.4161 177.3364 61 V 4.0510 8.2377 111.9524 61.3501 32.7107 175.3407 62 F 3.7189 7.5727 121.4937 56.2516 38.6257 174.1427 63 L 4.9790 7.0784 126.2322 55.0149 46.4555 172.2849 64 K 4.9139 8.7078 125.8109 54.7175 35.1214 175.2823 65 V 4.9455 8.0891 118.5930 58.4666 35.8921 174.1450 66 D 4.9227 8.4508 120.7901 52.2476 43.4133 176.2423 67 V 4.0442 8.6765 121.2482 62.3759 31.1456 176.7008 68 D 4.8068 8.3849 119.8510 53.4406 43.4425 175.6620 69 E 4.5797 8.2229 115.5989 56.5409 31.7637 176.8780 70 L 4.8918 7.5214 118.2249 54.9044 41.4150 178.7459 71 K 3.9979 8.2000 122.4230 60.8517 32.2294 177.5220 72 E 3.9457 8.0115 117.6685 59.3032 29.3849 179.3215 73 V 3.3783 8.2467 119.2979 65.6662 31.6456 177.9641 74 A 3.1752 8.2997 120.8325 54.7439 17.8085 179.4300 75 E 4.0892 7.8405 116.0143 58.8492 29.5790 178.9598 76 K 4.0461 7.2731 118.5077 59.2817 32.9705 178.0186 77 Y 4.9379 7.4137 116.5378 56.0149 39.9009 173.5056 78 N 4.0760 8.3343 118.7441 53.8598 36.8416 173.2107 79 V 3.9991 7.5134 112.5848 60.4934 33.2827 176.1126 80 E 3.9698 7.7860 123.2486 53.6400 27.5113 174.5995 81 A 5.0591 6.9581 135.0000 53.2606 20.6838 175.2720 82 M 4.3018 7.1667 119.1891 55.1371 32.9000 174.6682 83 P 5.5970 0.0000 0.0000 62.4032 31.4483 176.2939 84 T 4.1805 8.7575 118.6570 64.8265 69.4818 175.0885 85 F 5.1247 9.0227 127.4979 58.1572 38.9975 175.4025 86 L 4.1398 7.7593 119.3912 54.0023 43.9525 175.6958 87 F 4.9721 9.8733 123.6603 55.7508 42.6307 174.6281 88 I 4.5929 7.8949 120.0594 59.5731 37.7908 173.3483 89 K 4.0653 7.9270 124.0474 57.0581 32.8801 176.5284 90 D 4.6560 8.8223 125.1506 54.0059 40.5058 173.8412 91 G 3.9368 8.7684 105.0193 46.1847 0.0000 173.9492 92 A 4.5075 7.0589 119.1587 50.8354 22.8597 176.6892 93 E 5.1946 8.2221 118.3143 55.0335 32.0906 176.5001 94 A 4.0369 8.8608 130.5074 52.2060 19.4264 176.7668 95 D 4.7112 6.8056 114.1132 54.0606 43.3433 174.9968 96 K 5.3327 7.9081 118.6202 55.5632 36.8439 175.8561 97 V 4.5116 9.3555 117.1343 61.9708 32.6992 175.7551 98 V 4.9458 8.6893 120.7567 62.8400 34.3575 169.9877 99 G 4.1197 8.7194 116.2840 44.7603 0.0000 174.9875 100 A 4.7127 7.9666 115.2863 52.8120 21.4541 176.6731 101 R 4.6052 8.2634 117.4280 55.3872 32.1220 175.6268 102 K 4.6135 8.9471 123.3817 56.7489 32.2292 176.2733 103 D 5.1730 8.0172 113.7937 52.6564 42.6823 175.6425 104 D 4.8363 8.1484 115.1675 55.9885 42.7798 176.1642 105 L 4.1857 8.0635 122.5176 56.6251 41.7778 177.8554 106 Q 4.0285 8.3948 118.9025 59.2763 28.1915 178.6745 107 N 4.2182 8.0791 118.6595 56.5267 39.1161 176.7466 108 T 3.6061 8.3126 117.5111 66.2427 68.6697 177.1114 109 I 3.5962 7.4362 121.0321 64.1206 36.9715 178.5914 110 V 3.9495 7.1233 113.2670 63.6821 31.2040 178.4362 111 K 4.0079 7.1457 117.6459 59.0518 32.6776 178.1393 112 H 4.6473 7.6399 115.8742 57.5210 29.7798 176.7212 113 V 4.1391 8.0346 118.2341 64.7156 31.9669 177.8413 114 G 3.8219 7.9957 104.6394 45.2400 0.0000 174.1430 115 A 3.9794 8.0406 120.6410 52.8842 16.4991 177.3953 116 T 4.2929 7.4824 106.1774 61.4798 70.9094 173.0454 117 A 3.5029 7.8809 123.4510 52.5667 16.0520 177.0800 118 A 4.3372 7.9587 129.3949 50.8741 17.4898 180.6686 119 S 4.2383 7.6759 114.7201 58.0573 63.6486 173.3891 120 A 3.7110 8.3828 131.8065 51.4586 18.0567 176.7083 121 S 4.4061 8.5322 109.0603 59.4549 65.0807 173.6425 122 A 4.2088 7.7459 125.5987 52.4165 19.0142 175.3943 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 4.44 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 A 8.69 4.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.15 3.62 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 4 E 8.11 3.64 0.00 2.11 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 0.00 2.21 2.27 0.00 5 E 8.03 4.60 0.00 2.04 1.85 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 2.42 2.24 0.00 6 G 8.57 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 0.00 0.00 0.00 0.00 7 V 7.08 4.26 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 0.82 0.00 0.00 0.96 0.00 0.00 8 V 8.26 3.90 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 0.90 0.00 0.00 1.09 0.00 0.00 9 I 8.45 3.78 1.88 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 1.48 1.23 0.98 0.00 0.00 10 A 7.68 5.49 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 11 C 7.77 4.00 0.00 2.97 2.96 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 12 H 7.79 5.15 0.00 3.17 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.63 4.44 0.00 2.79 2.85 0.00 0.00 6.26 7.28 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 14 K 7.10 3.99 0.00 1.86 1.83 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.62 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.56 7.81 15 D 7.75 4.45 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.01 0.00 2.09 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 2.43 2.57 0.00 17 F 8.83 4.31 0.00 3.01 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 18 D 8.30 3.58 0.00 2.82 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 19 A 7.20 3.87 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 20 Q 7.15 4.27 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 21 M 7.13 3.81 0.00 1.63 1.39 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 22 T 8.00 4.20 4.34 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 1.20 0.00 0.00 23 K 8.41 4.55 0.00 1.86 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.36 7.81 24 A 7.84 4.59 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 25 K 8.13 4.01 0.00 1.87 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.42 7.81 26 E 8.17 4.16 0.00 2.16 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 2.36 2.32 0.00 27 A 7.89 3.88 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 28 G 8.06 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 29 K 7.79 4.76 0.00 1.94 1.76 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.35 7.81 30 V 8.46 3.87 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 0.82 0.00 0.00 0.97 0.00 0.00 31 V 8.14 4.45 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 0.73 0.00 0.00 0.85 0.00 0.00 32 I 7.65 3.70 0.98 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.35 0.20 0.00 0.00 33 I 8.51 4.49 1.38 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.63 0.00 0.00 34 D 8.88 4.34 0.00 1.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.86 4.95 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.47 4.83 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 1.35 0.00 0.00 37 A 8.24 4.13 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 38 S 7.49 4.41 0.00 2.72 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 39 W 8.32 4.40 0.00 3.42 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 40 C 8.31 4.28 0.00 3.26 3.25 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 0.00 41 G 8.72 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 42 P 0.00 4.23 0.00 2.34 2.37 0.00 4.04 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 2.06 0.00 43 C 8.31 4.66 0.00 3.10 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 44 R 7.89 4.80 0.00 2.12 1.90 0.00 3.20 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 45 F 8.46 4.02 0.00 2.99 3.04 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 46 I 7.61 3.83 1.93 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 1.00 0.01 0.00 0.00 47 A 7.32 3.79 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 48 P 0.00 4.36 0.00 2.10 2.07 0.00 3.42 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 49 V 6.96 4.26 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.67 0.00 0.00 50 F 7.18 4.58 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.18 4.16 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 52 E 8.16 3.74 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 53 Y 8.25 4.29 0.00 3.21 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 54 A 7.65 2.00 1.07 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 55 K 7.19 4.05 0.00 1.66 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.42 7.81 56 K 7.69 4.13 0.00 1.94 1.72 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.70 7.81 57 F 8.14 4.57 0.00 3.47 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 58 P 0.00 4.57 0.00 2.21 2.19 0.00 3.69 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 1.99 1.93 0.00 59 G 8.24 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 0.00 0.00 0.00 60 A 7.62 5.43 1.02 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 0.00 0.00 61 V 8.24 4.05 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 0.89 0.00 0.00 0.83 0.00 0.00 62 F 7.57 3.72 0.00 3.18 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 63 L 7.08 4.98 0.00 1.84 1.46 1.01 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.71 4.91 0.00 1.84 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.32 7.81 65 V 8.09 4.95 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 0.93 0.00 0.00 0.96 0.00 0.00 66 D 8.45 4.92 0.00 2.88 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 67 V 8.68 4.04 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 0.80 0.00 0.00 0.94 0.00 0.00 68 D 8.38 4.81 0.00 2.69 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 69 E 8.22 4.58 0.00 2.12 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 0.00 2.41 2.25 0.00 70 L 7.52 4.89 0.00 1.67 1.80 0.77 0.63 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 71 K 8.20 4.00 0.00 1.92 2.20 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 72 E 8.01 3.95 0.00 2.04 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 2.37 2.24 0.00 73 V 8.25 3.38 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 0.83 0.00 0.00 0.16 0.00 0.00 74 A 8.30 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.84 4.09 0.00 1.83 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 2.23 2.25 0.00 76 K 7.27 4.05 0.00 1.66 1.81 0.00 1.17 0.00 0.00 0.78 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.31 0.72 7.81 77 Y 7.41 4.94 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.33 4.08 0.00 2.84 2.93 0.00 0.00 7.03 7.67 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 79 V 7.51 4.00 1.91 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 -0.19 0.00 0.00 0.55 0.00 0.00 80 E 7.79 3.97 0.00 2.09 2.16 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 2.14 2.27 0.00 81 A 6.96 5.06 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 82 M 7.17 4.30 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 83 P 0.00 5.60 0.00 2.28 2.38 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 84 T 8.76 4.18 4.42 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 1.50 0.00 0.00 85 F 9.02 5.12 0.00 3.10 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 86 L 7.76 4.14 0.00 2.09 1.61 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.87 4.97 0.00 3.02 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 88 I 7.89 4.59 1.77 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.04 0.97 0.00 0.00 89 K 7.93 4.07 0.00 1.64 1.65 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 90 D 8.82 4.66 0.00 2.83 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 91 G 8.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.06 4.51 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 93 E 8.22 5.19 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 94 A 8.86 4.04 1.03 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 95 D 6.81 4.71 0.00 2.69 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 96 K 7.91 5.33 0.00 1.98 1.90 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.43 7.81 97 V 9.36 4.51 2.43 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 0.96 0.00 0.00 1.03 0.00 0.00 98 V 8.69 4.95 2.21 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 0.92 0.00 0.00 1.03 0.00 0.00 99 G 8.72 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.97 4.71 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 0.00 101 R 8.26 4.61 0.00 2.04 2.05 0.00 3.28 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 102 K 8.95 4.61 0.00 1.98 1.98 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.40 7.81 103 D 8.02 5.17 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 0.00 104 D 8.15 4.84 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.06 4.19 0.00 1.98 1.82 -0.02 0.93 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 0.00 106 Q 8.39 4.03 0.00 2.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 107 N 8.08 4.22 0.00 2.89 2.92 0.00 0.00 7.39 7.18 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 0.00 108 T 8.31 3.61 4.17 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 -0.01 0.00 0.00 109 I 7.44 3.60 1.26 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 1.60 0.51 -0.75 0.00 0.00 110 V 7.12 3.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 111 K 7.15 4.01 0.00 1.58 1.72 0.00 1.25 0.00 0.00 1.01 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.72 1.15 7.81 112 H 7.64 4.65 0.00 3.07 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.03 4.14 2.21 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 1.21 0.00 0.00 0.84 0.00 0.00 114 G 8.00 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 0.00 115 A 8.04 3.98 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 0.00 116 T 7.48 4.29 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 0.00 117 A 7.88 3.50 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 0.00 118 A 7.96 4.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.68 4.24 0.00 3.78 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 0.00 120 A 8.38 3.71 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 0.00 121 S 8.53 4.41 0.00 3.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.75 4.21 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