NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1882 8.3144 121.7899 56.0309 33.3903 174.2401 2 E 4.1480 8.4226 122.1205 53.3289 30.1669 175.1250 3 T 4.1737 8.6969 118.7600 61.3942 72.0098 174.7763 4 A 3.9929 8.5392 123.5460 55.2547 18.4389 179.9955 5 A 3.9594 8.0090 118.7329 55.2979 18.5544 179.5979 6 A 4.0140 8.1405 119.3719 55.1056 18.3849 179.7917 7 K 4.0479 8.4396 118.5298 59.4802 32.1722 178.7307 8 F 4.1028 8.5024 121.0797 61.4856 39.3140 177.0063 9 E 3.9543 8.2393 117.7012 59.3109 29.0209 179.3742 10 R 3.8457 7.8675 117.7543 59.6276 30.3021 178.3040 11 Q 3.9866 8.1033 116.5967 57.8937 29.0742 176.2414 12 H 4.6363 7.9805 114.1248 53.8974 31.4203 173.1259 13 M 4.7101 7.8270 118.6543 53.6657 33.6200 176.6994 14 D 4.8250 8.8246 122.4885 53.4941 42.1509 175.7202 15 S 4.3631 8.3993 117.7507 60.3344 63.6618 175.9453 16 S 4.6359 8.0207 115.1589 58.8056 62.6171 173.7660 17 T 4.6951 7.3276 108.8949 60.2354 71.4401 174.3685 18 S 4.2424 8.6363 119.6162 60.9245 63.4012 173.8274 19 A 4.1147 7.1422 119.7469 50.3812 21.5394 175.3061 20 A 2.8611 8.0306 122.6021 52.0637 17.7390 177.3678 21 S 3.9640 8.2086 118.1162 61.2215 63.0210 175.5642 22 S 4.9486 7.4833 112.9770 56.3855 65.9150 174.4339 23 S 4.2758 8.6335 114.7382 61.0537 62.8562 174.6105 24 N 4.6817 7.9762 117.9149 53.6738 39.4343 175.5717 25 Y 4.0150 7.9173 118.8579 62.1302 38.6826 177.6611 26 C 4.2346 8.3561 116.9437 60.0094 39.6438 175.7652 27 N 4.4463 8.2028 117.6025 56.4916 38.1703 177.3891 28 Q 3.9229 7.9451 119.2510 59.1237 28.9831 178.5499 29 M 3.5973 7.8318 119.9633 58.5389 31.8566 178.6727 30 M 4.0464 8.1018 119.1880 58.2187 32.0296 178.8963 31 K 4.1453 7.9189 120.1014 58.9386 32.3174 178.9969 32 S 4.2985 7.9669 112.3446 60.2194 62.9260 175.3738 33 R 4.4267 7.4101 120.0662 55.1751 30.2081 175.5130 34 N 4.2645 7.9499 114.6021 54.6379 36.6538 174.9304 35 L 4.4699 7.9447 116.8015 55.2250 42.2222 177.9095 36 T 5.2422 7.5274 107.4715 60.1590 69.4506 175.4732 37 K 3.9598 8.3490 123.4045 59.8584 32.0620 177.1689 38 D 4.8001 7.4608 114.4576 53.7042 42.9094 175.6875 39 R 3.4645 6.9216 113.7327 55.3400 31.4436 174.1293 40 C 4.8896 8.5928 116.7747 55.4582 40.6338 173.8420 41 K 4.1643 8.4675 126.9990 55.8030 32.3794 174.5345 42 P 4.7385 0.0000 0.0000 64.7609 32.2483 176.5066 43 V 5.0569 7.5401 116.1396 61.5611 34.9537 173.9120 44 N 4.6867 8.9474 122.9034 52.8673 42.6045 172.9601 45 T 4.8317 7.8791 121.0944 61.6434 71.6957 172.7857 46 F 4.8078 8.8843 124.8467 55.6438 41.9937 174.6627 47 V 4.5034 8.9948 123.0913 60.8912 33.4892 175.7509 48 H 5.8129 8.4950 127.4395 54.2485 26.5854 172.8965 49 E 4.8252 7.6907 117.1942 53.3678 34.5445 176.7564 50 S 4.3659 8.3242 114.7765 58.1917 65.0247 174.8434 51 L 3.9906 8.5988 124.7837 58.5075 41.8419 179.2708 52 A 4.0184 7.9919 120.1254 55.3358 18.1406 179.2208 53 D 4.3310 7.7860 116.1469 57.4062 41.1768 178.8747 54 V 3.8005 7.8504 118.7218 66.0492 31.5763 178.1673 55 Q 3.9340 8.5630 118.0456 58.7749 28.5391 178.5390 56 A 4.0421 8.0200 121.5492 54.6594 18.3381 179.6783 57 V 3.4888 7.6595 117.0047 65.9169 31.3133 176.8946 58 C 3.8960 7.8104 114.8163 57.8786 39.8689 174.0690 59 S 4.6382 7.5123 114.4708 57.8610 63.8726 174.5907 60 Q 4.1691 7.1672 120.3830 56.0989 30.7551 177.7322 61 K 4.2386 8.1829 132.1760 57.0944 32.9586 175.4662 62 N 4.4985 8.8283 127.6005 53.6211 39.7969 174.3280 63 V 4.6007 8.4066 118.3428 59.2789 36.7790 174.8116 64 A 4.3231 8.3940 124.5707 52.2511 19.1669 178.3501 65 C 4.6167 9.0776 119.0118 55.5262 41.5053 175.1973 66 K 3.7432 8.6115 122.4141 59.4623 31.7236 177.3913 67 N 4.5541 8.0196 113.4788 52.9815 37.5708 175.4789 68 G 3.9703 8.0697 108.5245 45.6879 0.0000 174.3795 69 Q 4.2112 8.5521 119.1540 56.3254 29.2165 176.4094 70 T 4.6020 8.2880 108.0532 61.6514 69.1032 173.8192 71 N 4.9267 7.9058 118.0723 53.8001 38.6350 174.7646 72 C 5.1949 7.4375 115.2890 56.8052 44.1634 172.5726 73 Y 5.1772 8.9107 118.6897 56.3694 42.0253 173.9185 74 Q 5.1277 9.1718 125.3540 54.1296 31.2032 174.9149 75 S 4.3700 8.7797 122.1273 58.7407 63.2086 174.2615 76 Y 4.4745 9.1380 121.8692 60.9971 37.8261 176.8335 77 S 4.7412 7.8996 114.0304 57.2700 64.7266 173.3646 78 T 4.3949 7.9679 111.6865 61.6377 70.1269 173.9033 79 M 5.0133 9.0179 121.3869 53.4010 37.0901 174.6081 80 S 4.8151 9.6566 117.3786 58.3959 63.5097 173.1247 81 I 5.1937 9.0979 120.3366 59.5469 41.8163 174.2796 82 T 5.0338 8.8267 118.8710 62.0383 72.0567 172.8398 83 D 4.9471 9.4315 127.5370 53.4520 42.8651 174.8635 84 C 5.5451 9.3424 121.5293 55.2184 39.4619 172.9514 85 R 5.2821 8.7658 123.6092 54.0473 33.2428 174.0590 86 E 4.0995 9.5340 128.0989 56.4728 30.8429 176.7662 87 T 4.2382 8.5058 116.7481 60.9259 69.7795 175.8765 88 G 3.6216 8.5972 111.2424 47.9835 0.0000 174.6079 89 S 4.6594 7.2967 113.0241 57.8630 63.2425 173.9942 90 S 4.3410 7.5280 115.0971 58.3297 63.0020 173.5116 91 K 4.5419 8.2241 126.2551 54.8326 35.2895 174.8144 92 Y 4.5224 8.6049 127.2678 57.5500 39.2231 173.9221 93 P 3.5417 0.0000 0.0000 62.9210 31.7631 177.0479 94 N 4.6510 7.8071 119.2971 51.8639 36.9453 172.8374 95 C 4.5526 8.0254 116.6190 56.5463 42.5710 173.2247 96 A 5.1007 8.8088 126.3546 50.3243 21.6464 174.4649 97 Y 5.2072 9.4643 118.7986 56.0444 42.3898 174.8709 98 K 4.5591 9.3568 123.3708 55.6746 34.3139 175.2185 99 T 4.9838 8.5426 123.2887 62.2860 70.5849 173.9791 100 T 4.5533 8.8401 122.8568 61.7753 71.8428 173.0155 101 Q 4.7907 8.7634 127.8726 55.6724 30.4490 174.2782 102 A 4.5743 8.9331 125.8384 51.4023 23.7081 174.8906 103 N 5.3700 8.7142 116.0005 51.7802 40.7758 174.2674 104 K 4.7570 8.7744 122.4634 54.7720 37.6986 175.5180 105 H 5.0401 9.2831 119.1765 55.7174 30.0120 174.9901 106 I 4.8937 8.5953 115.1939 59.2740 40.9169 174.3887 107 I 4.9112 8.2445 124.0900 59.7398 40.2084 175.0926 108 V 4.7860 8.6148 119.2993 59.3293 36.1962 174.4333 109 A 4.9594 8.7418 124.9477 51.2070 20.4388 175.7866 110 C 5.1250 8.5388 119.3190 55.3480 37.9063 172.9940 111 E 4.6598 8.6773 120.4852 56.8344 33.8052 176.0560 112 G 4.0575 9.1878 111.5291 44.7028 0.0000 171.5547 113 N 5.0594 8.2693 116.3044 50.6926 40.6859 172.4557 114 P 4.2955 0.0000 0.0000 62.9918 31.8249 175.8900 115 Y 5.0226 8.3112 121.6708 57.0182 38.6353 174.4052 116 V 4.4408 8.0014 119.2843 58.2333 36.6764 173.3657 117 P 4.5119 0.0000 0.0000 62.8882 31.1915 177.0934 118 V 4.4529 8.5483 115.3713 61.1413 33.7404 175.1512 119 H 5.0052 7.8046 119.7965 54.9268 33.4625 171.6523 120 F 4.7262 8.7497 127.8383 57.2701 39.5821 174.4904 121 D 4.5214 8.4318 127.0318 55.9926 41.8202 175.9359 122 A 4.4850 6.3169 117.2620 51.4408 22.3244 174.7797 123 S 5.1372 8.8660 113.5065 56.5194 65.9184 174.3969 124 V 4.1011 8.9657 121.7034 63.1788 31.7714 174.9795 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 8.31 4.19 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.42 4.15 0.00 2.06 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 2.28 2.38 0.00 3 T 8.70 4.17 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 1.23 0.00 0.00 4 A 8.54 3.99 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 5 A 8.01 3.96 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 6 A 8.14 4.01 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 7 K 8.44 4.05 0.00 1.99 2.02 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 8 F 8.50 4.10 0.00 3.31 3.27 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 9 E 8.24 3.95 0.00 2.26 2.03 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 2.51 2.68 0.00 10 R 7.87 3.85 0.00 1.81 2.08 0.00 3.36 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 1.61 1.66 0.00 11 Q 8.10 3.99 0.00 1.51 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 12 H 7.98 4.64 0.00 1.96 2.61 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.83 4.71 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 14 D 8.82 4.83 0.00 2.78 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 15 S 8.40 4.36 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.64 0.00 3.87 3.89 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 17 T 7.33 4.70 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 18 S 8.64 4.24 0.00 3.84 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 19 A 7.14 4.11 1.09 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 20 A 8.03 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.21 3.96 0.00 3.86 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 22 S 7.48 4.95 0.00 4.01 3.97 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 23 S 8.63 4.28 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.98 4.68 0.00 2.70 2.79 0.00 0.00 6.62 8.67 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 25 Y 7.92 4.01 0.00 3.16 3.01 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 26 C 8.36 4.23 0.00 3.17 3.07 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 27 N 8.20 4.45 0.00 3.04 2.93 0.00 0.00 7.14 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 28 Q 7.95 3.92 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 29 M 7.83 3.60 0.00 0.65 1.27 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 30 M 8.10 4.05 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 2.42 0.00 31 K 7.92 4.15 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.33 7.81 32 S 7.97 4.30 0.00 4.00 3.89 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 33 R 7.41 4.43 0.00 1.87 2.07 0.00 3.58 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 34 N 7.95 4.26 0.00 2.89 2.92 0.00 0.00 6.85 7.64 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 35 L 7.94 4.47 0.00 1.86 1.65 0.79 0.48 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 36 T 7.53 5.24 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 1.40 0.00 0.00 37 K 8.35 3.96 0.00 1.96 1.90 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.44 7.81 38 D 7.46 4.80 0.00 2.56 2.52 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 39 R 6.92 3.46 0.00 1.73 1.67 0.00 2.89 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 40 C 8.59 4.89 0.00 3.11 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 41 K 8.47 4.16 0.00 1.84 1.77 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.42 7.81 42 P 0.00 4.74 0.00 2.15 2.12 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 43 V 7.54 5.06 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 0.79 0.00 0.00 0.98 0.00 0.00 44 N 8.95 4.69 0.00 2.64 2.25 0.00 0.00 6.98 6.74 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 45 T 7.88 4.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 46 F 8.88 4.81 0.00 2.99 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 47 V 8.99 4.50 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 1.05 0.00 0.00 0.98 0.00 0.00 48 H 8.49 5.81 0.00 3.13 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.69 4.83 0.00 1.94 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 2.25 2.26 0.00 50 S 8.32 4.37 0.00 4.07 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 51 L 8.60 3.99 0.00 1.82 1.75 1.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 4.02 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 53 D 7.79 4.33 0.00 2.85 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 54 V 7.85 3.80 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 1.24 0.00 0.00 1.09 0.00 0.00 55 Q 8.56 3.93 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 56 A 8.02 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.66 3.49 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 1.00 0.00 0.00 1.00 0.00 0.00 58 C 7.81 3.90 0.00 2.89 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 59 S 7.51 4.64 0.00 3.89 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 60 Q 7.17 4.17 0.00 1.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.98 0.00 0.00 0.00 0.00 0.00 1.81 2.17 0.00 61 K 8.18 4.24 0.00 1.98 1.89 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.49 7.81 62 N 8.83 4.50 0.00 2.83 2.69 0.00 0.00 7.00 7.71 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 63 V 8.41 4.60 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 0.73 0.00 0.00 0.83 0.00 0.00 64 A 8.39 4.32 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 65 C 9.08 4.62 0.00 3.09 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 66 K 8.61 3.74 0.00 1.91 1.84 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 67 N 8.02 4.55 0.00 2.84 2.87 0.00 0.00 6.30 7.00 0.00 0.00 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 8.07 3.97 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 0.00 0.00 0.00 69 Q 8.55 4.21 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 70 T 8.29 4.60 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 1.17 0.00 0.00 71 N 7.91 4.93 0.00 3.04 3.12 0.00 0.00 6.07 7.68 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 72 C 7.44 5.19 0.00 3.00 2.88 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 0.00 0.00 0.00 73 Y 8.91 5.18 0.00 2.79 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 74 Q 9.17 5.13 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 75 S 8.78 4.37 0.00 3.93 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 76 Y 9.14 4.47 0.00 3.00 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 77 S 7.90 4.74 0.00 3.91 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 78 T 7.97 4.39 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 1.03 0.00 0.00 79 M 9.02 5.01 0.00 1.93 1.99 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 2.54 2.49 0.00 80 S 9.66 4.82 0.00 3.87 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 81 I 9.10 5.19 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 0.97 0.00 0.00 82 T 8.83 5.03 4.41 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 1.31 0.00 0.00 83 D 9.43 4.95 0.00 2.58 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 84 C 9.34 5.55 0.00 2.86 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 85 R 8.77 5.28 0.00 1.94 1.80 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 86 E 9.53 4.10 0.00 2.18 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.63 0.00 87 T 8.51 4.24 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 1.22 0.00 0.00 88 G 8.60 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.30 4.66 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.53 4.34 0.00 3.77 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 91 K 8.22 4.54 0.00 1.83 1.57 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.45 7.81 92 Y 8.60 4.52 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 93 P 0.00 3.54 0.00 1.73 1.21 0.00 3.50 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 0.00 94 N 7.81 4.65 0.00 2.87 2.72 0.00 0.00 6.97 7.23 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 95 C 8.03 4.55 0.00 3.13 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 96 A 8.81 5.10 1.12 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 97 Y 9.46 5.21 0.00 2.91 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 98 K 9.36 4.56 0.00 1.88 1.73 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 99 T 8.54 4.98 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 1.29 0.00 0.00 100 T 8.84 4.55 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 1.23 0.00 0.00 101 Q 8.76 4.79 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 102 A 8.93 4.57 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 0.00 103 N 8.71 5.37 0.00 2.57 2.75 0.00 0.00 6.66 7.61 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 0.00 104 K 8.77 4.76 0.00 1.72 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.28 5.04 0.00 3.18 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.60 4.89 1.93 0.00 0.00 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 1.30 1.05 1.14 0.00 0.00 107 I 8.24 4.91 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.79 0.00 0.00 108 V 8.61 4.79 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 0.75 0.00 0.00 0.82 0.00 0.00 109 A 8.74 4.96 1.23 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 0.00 0.00 110 C 8.54 5.13 0.00 2.22 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 0.00 0.00 0.00 111 E 8.68 4.66 0.00 1.96 1.67 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 2.20 2.28 0.00 112 G 9.19 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 0.00 0.00 0.00 0.00 113 N 8.27 5.06 0.00 2.66 2.70 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.30 0.00 2.23 2.06 0.00 3.83 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 2.00 1.97 0.00 115 Y 8.31 5.02 0.00 2.85 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.00 4.44 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 0.76 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.51 0.00 0.49 1.19 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 118 V 8.55 4.45 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 0.58 0.00 0.00 0.93 0.00 0.00 119 H 7.80 5.01 0.00 3.27 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.75 4.73 0.00 2.75 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 0.00 121 D 8.43 4.52 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 122 A 6.32 4.49 1.13 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 0.00 0.00 123 S 8.87 5.14 0.00 3.98 4.13 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 0.00 124 V 8.97 4.10 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 1.02 0.00 0.00 0.92 0.00 0.00