NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2774 8.3144 121.7894 56.4131 33.2674 173.8001 2 E 4.4547 8.3806 117.3229 52.1205 32.7411 175.1797 3 T 4.1450 8.8102 118.4294 61.5077 71.8319 174.8432 4 A 4.0396 8.4965 123.3038 55.2122 18.4516 179.9632 5 A 4.1717 7.9908 118.7819 55.1592 18.5770 179.5592 6 A 4.4149 8.1220 120.7567 54.6226 18.3787 179.8137 7 K 4.0192 8.1383 118.3157 59.3825 32.2337 178.8813 8 F 3.9991 8.0962 121.1470 61.3234 39.2817 176.8584 9 E 4.0799 8.4535 118.1456 59.5494 29.1114 179.3087 10 R 3.9066 7.9686 117.3085 59.6845 30.2332 178.1268 11 Q 3.9891 8.1692 116.3828 57.6312 28.9111 176.1568 12 H 4.7226 8.3003 114.3017 54.0817 31.4709 173.2061 13 M 4.9705 8.1092 119.0775 54.0778 33.2692 176.6770 14 D 4.8051 8.9692 123.4186 53.3421 41.6664 175.5895 15 S 4.4068 8.4484 116.9856 59.6900 64.0162 175.5840 16 S 4.2378 8.4597 115.1645 60.9554 61.9745 174.0371 17 T 4.6918 7.6621 107.1290 59.7210 71.0491 173.8680 18 S 4.4113 8.3935 115.4010 59.4774 63.9615 173.8630 19 A 4.2137 7.2303 121.1522 50.3282 21.4937 175.2829 20 A 2.8944 7.9954 123.3422 52.0856 16.5748 178.2452 21 S 4.0383 8.5027 119.1302 60.0964 62.9676 175.8896 22 S 3.9807 8.4981 122.5396 57.7485 61.6198 170.5539 23 S 4.6956 8.6210 114.2276 58.5133 63.3198 174.2127 24 N 4.8516 7.8632 117.8984 53.4829 39.3177 174.8844 25 Y 4.0189 7.3991 118.9642 62.0827 38.7740 177.5366 26 C 4.2587 8.4535 116.9090 60.2519 38.6194 175.8416 27 N 4.3876 8.2984 117.4768 56.3446 38.0038 177.1599 28 Q 3.7321 7.8877 120.5435 59.4786 29.1866 177.9154 29 M 3.6995 7.5580 121.3207 58.0048 31.7706 178.7980 30 M 4.0538 8.0172 118.6835 57.8169 31.9571 178.8239 31 K 4.0675 7.6736 121.5344 58.5841 32.3494 179.0281 32 S 4.0425 8.2301 114.3319 61.4826 62.9737 175.7580 33 R 4.3386 8.1912 117.6152 55.2412 29.9010 176.0908 34 N 4.1784 7.5965 114.0971 54.6184 36.6549 174.7058 35 L 4.5295 8.3665 116.5252 55.1488 43.0681 178.3347 36 T 5.6788 7.4471 108.0214 60.2929 69.0883 175.9118 37 K 4.0196 8.1608 121.0183 60.0129 32.2258 177.2512 38 D 5.1763 7.2736 114.8670 52.5671 42.1428 175.8454 39 R 3.6573 6.9000 116.9537 55.7001 32.5065 174.0641 40 C 4.9753 8.7524 121.0100 55.3501 40.3370 173.6624 41 K 4.0685 8.5217 127.3212 55.8970 32.1385 174.4162 42 P 4.7904 0.0000 0.0000 64.9251 31.8132 176.2839 43 V 5.0188 7.3760 118.0495 60.6714 34.7767 173.9581 44 N 4.3891 8.6863 121.5076 53.0669 42.9567 173.0531 45 T 4.8223 7.7316 121.7988 61.6393 71.8272 172.9126 46 F 4.8321 9.0777 123.9337 55.6300 42.3297 174.4672 47 V 4.3749 9.5103 123.8581 61.5797 33.2722 175.2905 48 H 5.8542 8.9030 127.3491 53.2194 26.6203 173.1858 49 E 4.8820 7.8116 119.2907 54.7931 34.6220 175.3993 50 S 4.3827 8.6098 115.3109 57.9869 64.0133 175.1812 51 L 3.9885 8.5901 122.3932 58.1103 41.7808 178.7410 52 A 4.1420 8.0343 120.2878 55.5621 18.1085 179.1236 53 D 4.3060 7.8730 115.6636 57.6443 41.0251 179.0582 54 V 3.7640 7.8154 118.5030 66.0648 31.5277 178.1588 55 Q 3.8512 8.5457 118.0438 58.5526 28.4813 178.2868 56 A 3.9626 8.1567 121.8990 54.8140 18.4143 179.5985 57 V 3.4314 7.4204 116.5812 65.5913 31.3001 176.6913 58 C 3.9338 7.7268 114.5707 57.6843 40.0170 173.8105 59 S 4.6856 7.5834 114.6284 57.9158 64.1808 174.5693 60 Q 4.2818 6.9939 120.3023 56.0105 27.7221 178.0829 61 K 4.1841 8.0941 129.8790 57.5614 33.0043 174.5191 62 N 4.5713 8.8799 127.2071 52.7274 38.9064 174.1038 63 V 4.5188 7.8938 118.8620 58.8779 34.9942 175.8792 64 A 4.1120 8.3148 124.6164 52.2383 19.1946 178.4027 65 C 4.6695 8.5320 118.5743 55.8832 41.3895 175.4937 66 K 3.8643 8.6971 121.2457 59.4265 31.6209 178.2213 67 N 4.5588 8.0236 113.4165 52.9218 37.7572 175.4077 68 G 4.0263 7.9558 107.9464 45.7183 0.0000 174.5074 69 Q 4.1722 7.9938 118.3824 56.6859 29.1828 176.5945 70 T 4.5489 8.3360 108.7941 61.6795 69.3249 174.1082 71 N 5.0592 8.0782 117.2499 53.6907 38.9162 174.0160 72 C 5.3234 7.9216 116.5669 56.8100 43.4774 172.2175 73 Y 5.2621 9.2684 119.5983 56.3466 41.6737 174.0572 74 Q 5.1262 8.9759 124.1416 53.9842 31.8878 174.8084 75 S 4.2406 8.8057 122.0201 58.4402 63.1032 173.9631 76 Y 4.5494 8.6880 122.3517 60.5887 37.8904 176.4509 77 S 5.0678 7.8216 112.1821 56.4062 65.7943 174.1882 78 T 4.1559 8.2456 110.4711 61.9139 69.7586 173.5992 79 M 5.0425 9.4571 122.4998 53.3470 36.9869 174.7421 80 S 4.8285 8.9118 116.8155 58.3665 63.5082 173.0857 81 I 5.1300 9.6244 121.0738 59.5251 41.7919 174.1908 82 T 4.9474 9.1532 119.8982 61.9111 71.6417 172.4774 83 D 4.9073 9.0672 127.3474 53.2841 43.1099 174.2141 84 C 5.4626 9.6028 124.7510 55.4566 39.8516 173.0597 85 R 5.3788 8.6494 122.6382 53.9471 33.1821 175.0217 86 E 4.7422 9.6632 123.6162 56.6397 30.5047 177.0982 87 T 4.1631 8.2600 113.8247 60.6700 69.9082 175.1758 88 G 3.7108 8.8464 111.5319 47.9619 0.0000 174.4142 89 S 4.7242 7.2770 114.7071 57.8189 62.7769 174.0722 90 S 4.6229 7.1675 112.9952 57.2070 65.5262 172.5886 91 K 4.2310 8.2413 123.4361 55.3871 35.8732 173.8050 92 Y 4.2234 8.5794 127.0951 57.8609 38.9838 175.0085 93 P 3.4212 0.0000 0.0000 63.6161 32.3505 176.7000 94 N 4.6087 7.4689 119.2576 52.2597 36.8610 173.0056 95 C 4.3686 7.9653 117.2182 56.4919 41.3936 173.1699 96 A 5.1414 8.5319 125.2792 50.4919 21.9737 174.5753 97 Y 5.2544 9.2635 117.1689 56.3505 42.7577 174.4312 98 K 4.6393 9.2241 123.2352 55.2003 34.4536 175.1191 99 T 4.6710 8.5842 124.0644 63.1467 70.0507 174.8177 100 T 4.4717 8.5495 121.5762 61.9361 71.7031 173.0051 101 Q 4.6506 8.6135 127.3406 55.7833 30.2982 174.4305 102 A 4.3638 8.1326 124.1502 51.7663 23.6724 175.0431 103 N 5.7956 8.8119 116.5661 51.1268 40.2853 174.4174 104 K 4.7379 8.3300 121.9578 54.7149 37.7579 175.1397 105 H 5.0495 8.9105 119.3697 55.2821 29.6384 175.4690 106 I 4.4184 8.5418 117.9781 60.6256 39.5972 175.0531 107 I 4.8974 8.2878 124.7741 59.7742 40.1983 174.9931 108 V 4.7754 8.6513 119.5720 59.3162 36.1564 174.4577 109 A 5.0728 8.8225 124.9983 51.0383 20.6916 175.7766 110 C 5.4997 8.5309 118.5287 54.2830 39.2908 172.7797 111 E 4.5836 8.0871 117.1284 57.2318 32.1212 175.8548 112 G 3.9716 8.7208 108.6857 44.7351 0.0000 171.5346 113 N 5.0718 8.3287 116.2254 50.6951 40.9135 172.4785 114 P 4.3301 0.0000 0.0000 62.7757 31.9155 175.7360 115 Y 4.7400 8.2772 120.9058 57.2153 38.7356 174.6261 116 V 4.4190 7.9425 119.5934 58.1880 36.4910 173.5383 117 P 4.2794 0.0000 0.0000 62.8659 31.3095 176.9183 118 V 4.6466 8.4391 114.8391 60.6779 34.1793 174.9373 119 H 4.7333 7.8139 117.4258 55.4445 33.2375 172.2509 120 F 4.6397 8.9974 128.7103 57.4457 39.3048 174.6131 121 D 4.4922 8.4570 126.8744 56.0999 41.7201 175.6366 122 A 4.5991 6.8276 116.6958 52.1011 22.8988 174.4009 123 S 5.1307 8.8245 112.2227 57.1184 67.1689 175.0205 124 V 4.1051 8.8926 122.8041 63.1396 31.7878 175.0491 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 4.28 0.00 1.74 1.84 0.00 1.72 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 8.38 4.45 0.00 1.99 1.76 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 2.20 2.38 0.00 3 T 8.81 4.14 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 4 A 8.50 4.04 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 5 A 7.99 4.17 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 6 A 8.12 4.41 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 7 K 8.14 4.02 0.00 2.07 2.03 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.52 7.81 8 F 8.10 4.00 0.00 3.15 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 9 E 8.45 4.08 0.00 2.28 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 0.00 2.51 2.74 0.00 10 R 7.97 3.91 0.00 1.84 2.16 0.00 3.25 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 Q 8.17 3.99 0.00 1.57 1.66 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 2.21 2.40 0.00 12 H 8.30 4.72 0.00 2.00 2.71 0.00 5.61 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 8.11 4.97 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.82 0.00 14 D 8.97 4.81 0.00 2.79 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 15 S 8.45 4.41 0.00 3.94 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 16 S 8.46 4.24 0.00 3.83 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 0.00 17 T 7.66 4.69 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 1.24 0.00 0.00 18 S 8.39 4.41 0.00 3.98 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 19 A 7.23 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 2.89 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 21 S 8.50 4.04 0.00 4.00 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 22 S 8.50 3.98 0.00 4.02 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 23 S 8.62 4.70 0.00 4.03 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 24 N 7.86 4.85 0.00 2.85 2.81 0.00 0.00 6.73 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 25 Y 7.40 4.02 0.00 3.23 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 26 C 8.45 4.26 0.00 3.20 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 27 N 8.30 4.39 0.00 2.92 2.93 0.00 0.00 6.74 7.74 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 28 Q 7.89 3.73 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 29 M 7.56 3.70 0.00 0.74 1.17 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.38 0.00 30 M 8.02 4.05 0.00 1.72 1.94 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.47 0.00 31 K 7.67 4.07 0.00 1.81 1.95 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.33 7.81 32 S 8.23 4.04 0.00 3.94 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 33 R 8.19 4.34 0.00 2.02 2.16 0.00 3.62 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 34 N 7.60 4.18 0.00 2.87 2.87 0.00 0.00 6.82 7.89 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 35 L 8.37 4.53 0.00 1.84 1.63 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.45 5.68 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 1.52 0.00 0.00 37 K 8.16 4.02 0.00 1.79 1.91 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.45 7.81 38 D 7.27 5.18 0.00 2.50 2.49 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 39 R 6.90 3.66 0.00 1.49 1.51 0.00 3.14 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 40 C 8.75 4.98 0.00 3.20 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 41 K 8.52 4.07 0.00 1.91 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.54 7.81 42 P 0.00 4.79 0.00 2.19 2.33 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 43 V 7.38 5.02 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 0.80 0.00 0.00 0.97 0.00 0.00 44 N 8.69 4.39 0.00 2.61 2.26 0.00 0.00 6.98 6.79 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 45 T 7.73 4.82 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 0.78 0.00 0.00 46 F 9.08 4.83 0.00 2.91 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 47 V 9.51 4.37 2.28 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 1.10 0.00 0.00 1.22 0.00 0.00 48 H 8.90 5.85 0.00 3.14 3.39 0.00 5.69 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 7.81 4.88 0.00 1.86 1.86 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 2.28 2.30 0.00 50 S 8.61 4.38 0.00 4.03 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 8.59 3.99 0.00 1.82 1.73 1.05 1.18 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 52 A 8.03 4.14 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 7.87 4.31 0.00 2.84 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 7.82 3.76 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 1.21 0.00 0.00 1.07 0.00 0.00 55 Q 8.55 3.85 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 56 A 8.16 3.96 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 0.00 0.00 57 V 7.42 3.43 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 0.94 0.00 0.00 0.89 0.00 0.00 58 C 7.73 3.93 0.00 2.91 2.79 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 59 S 7.58 4.69 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 60 Q 6.99 4.28 0.00 1.62 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 61 K 8.09 4.18 0.00 2.15 1.87 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.47 7.81 62 N 8.88 4.57 0.00 2.64 2.64 0.00 0.00 7.04 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 7.89 4.52 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 0.69 0.00 0.00 0.85 0.00 0.00 64 A 8.31 4.11 1.20 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 0.00 0.00 65 C 8.53 4.67 0.00 3.13 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 66 K 8.70 3.86 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.55 7.81 67 N 8.02 4.56 0.00 2.82 2.92 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 7.96 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 69 Q 7.99 4.17 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 70 T 8.34 4.55 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 1.24 0.00 0.00 71 N 8.08 5.06 0.00 3.04 3.12 0.00 0.00 6.09 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 7.92 5.32 0.00 2.95 2.95 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 73 Y 9.27 5.26 0.00 2.74 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 74 Q 8.98 5.13 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 75 S 8.81 4.24 0.00 3.94 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 76 Y 8.69 4.55 0.00 3.03 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 77 S 7.82 5.07 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 78 T 8.25 4.16 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 0.97 0.00 0.00 79 M 9.46 5.04 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 80 S 8.91 4.83 0.00 3.96 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 81 I 9.62 5.13 1.99 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 1.32 0.77 1.08 0.00 0.00 82 T 9.15 4.95 4.27 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 1.18 0.00 0.00 83 D 9.07 4.91 0.00 2.71 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 84 C 9.60 5.46 0.00 2.90 2.80 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 85 R 8.65 5.38 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 86 E 9.66 4.74 0.00 1.87 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 1.84 2.03 0.00 87 T 8.26 4.16 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 1.18 0.00 0.00 88 G 8.85 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 0.00 0.00 0.00 89 S 7.28 4.72 0.00 4.09 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 90 S 7.17 4.62 0.00 3.68 3.78 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 91 K 8.24 4.23 0.00 1.73 1.56 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.31 7.81 92 Y 8.58 4.22 0.00 3.06 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 93 P 0.00 3.42 0.00 1.77 1.15 0.00 3.64 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 94 N 7.47 4.61 0.00 2.75 2.76 0.00 0.00 6.88 8.64 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 95 C 7.97 4.37 0.00 3.09 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 96 A 8.53 5.14 1.10 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 0.00 0.00 97 Y 9.26 5.25 0.00 2.86 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 98 K 9.22 4.64 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 99 T 8.58 4.67 4.31 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 1.23 0.00 0.00 100 T 8.55 4.47 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 0.00 101 Q 8.61 4.65 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 102 A 8.13 4.36 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 8.81 5.80 0.00 2.57 2.75 0.00 0.00 7.04 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 8.33 4.74 0.00 1.70 1.64 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 105 H 8.91 5.05 0.00 3.24 3.38 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.54 4.42 1.71 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 1.04 0.00 0.00 107 I 8.29 4.90 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.87 0.00 0.00 108 V 8.65 4.78 1.87 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 0.50 0.00 0.00 0.73 0.00 0.00 109 A 8.82 5.07 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 0.00 110 C 8.53 5.50 0.00 1.58 1.86 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 0.00 111 E 8.09 4.58 0.00 2.02 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 0.00 2.09 2.19 0.00 112 G 8.72 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 0.00 113 N 8.33 5.07 0.00 2.66 2.69 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 4.33 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 Y 8.28 4.74 0.00 2.81 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 0.00 116 V 7.94 4.42 1.92 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 0.82 0.00 0.00 0.83 0.00 0.00 117 P 0.00 4.28 0.00 0.49 0.81 0.00 3.29 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 118 V 8.44 4.65 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 0.62 0.00 0.00 0.98 0.00 0.00 119 H 7.81 4.73 0.00 3.27 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.00 4.64 0.00 2.46 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 0.00 121 D 8.46 4.49 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 122 A 6.83 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.82 5.13 0.00 3.82 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 0.00 124 V 8.89 4.11 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 1.03 0.00 0.00 0.95 0.00 0.00