NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.3931 8.3344 116.7932 58.3105 64.3191 172.4940 22 S 4.3427 8.3934 115.7435 57.9221 62.9114 171.7172 23 S 4.7819 8.1544 118.9950 58.2964 64.2489 174.6131 24 N 4.6428 7.5957 117.7281 52.5474 39.0455 174.4466 25 Y 4.0498 8.6853 121.7186 61.3177 38.5920 179.2438 26 C 4.1249 7.9855 116.5932 60.1358 39.3273 175.6456 27 N 4.3362 8.8875 118.3589 56.6608 38.0866 177.5519 28 Q 3.9156 7.9707 119.0141 59.3139 28.7669 178.7301 29 M 3.6986 7.8965 120.0598 58.3906 31.6998 178.7652 30 M 4.0739 8.0913 119.1815 57.9331 32.0104 178.8256 31 K 3.9077 7.6452 118.9913 59.4697 32.3065 178.7252 32 S 4.0337 7.9339 112.6427 61.4967 62.3055 174.9615 33 R 4.2613 8.1608 116.5980 55.7491 29.7249 175.6207 34 N 4.2112 7.8655 114.9514 55.0793 37.5001 174.8175 35 L 4.5619 8.2730 118.0450 55.2668 43.5206 178.0136 36 T 5.6435 7.6271 105.4512 60.4939 69.2035 175.0430 37 K 4.2756 8.3208 123.7857 59.1228 32.3493 177.4475 38 D 4.9116 8.1375 114.8134 50.5239 40.2376 174.8201 39 R 3.7143 7.0871 115.7719 56.7985 30.8473 173.3192 40 C 5.2637 8.6819 115.6892 54.9753 41.5240 173.7782 41 K 4.4015 8.3172 125.8939 55.0181 32.7910 174.4262 42 P 4.7919 0.0000 0.0000 64.8822 32.0174 176.4940 43 V 5.1549 7.5148 108.9314 60.2842 35.8867 173.8864 44 N 4.6554 8.8147 119.4166 53.0204 42.7679 173.1729 45 T 4.9913 8.0213 120.2402 61.6694 71.7836 173.2168 46 F 4.7539 9.0312 124.1281 55.6111 42.0682 174.3678 47 V 4.5278 8.4445 123.1397 61.3156 32.7440 176.3045 48 H 4.9254 8.7519 128.6622 54.4452 26.1578 173.6725 49 E 4.8040 7.7292 118.0507 53.1834 34.5892 176.4936 50 S 4.2896 8.4245 115.3034 58.3122 64.8516 174.9025 51 L 3.9414 8.5944 125.5113 58.6112 41.8836 179.3493 52 A 4.2667 7.8857 121.3124 54.7935 18.1188 179.1963 53 D 4.3472 8.0316 116.7068 57.2819 41.1205 178.8199 54 V 3.7561 7.7236 118.5540 65.9777 31.0802 178.1680 55 Q 3.9737 8.3505 117.6393 58.6920 28.6340 178.4464 56 A 4.0743 8.0095 121.5000 54.4139 18.3313 179.5891 57 V 3.4729 7.6128 116.9796 65.7128 31.3158 176.8950 58 C 3.9700 7.7475 114.7915 58.0526 39.8759 174.0882 59 S 4.6230 7.3205 113.9150 57.9316 63.9543 174.4998 60 Q 4.1874 7.1988 123.0350 56.0711 27.0569 178.0544 61 K 4.3158 8.3882 132.3628 56.9340 32.8543 174.9345 62 N 4.4783 8.8495 127.5506 53.6404 39.1635 174.3008 63 V 4.6089 8.3790 118.1162 59.2817 36.8121 174.7780 64 A 4.3589 8.4131 124.5905 52.2851 19.0823 178.3490 65 C 4.7582 9.0832 118.9777 55.6205 41.5240 175.3596 66 K 3.7101 8.8371 121.3192 59.5703 31.5969 178.2356 67 N 4.5015 7.9931 113.4813 53.1959 37.7523 175.4264 68 G 4.0163 8.1499 108.0622 45.7481 0.0000 174.4053 69 Q 4.2485 8.8632 119.1324 56.3091 29.1888 176.2631 70 T 4.6889 8.2507 108.3011 61.7040 69.2974 173.9169 71 N 5.0298 8.0726 117.3739 54.1262 38.7016 174.5152 72 C 5.4093 7.4137 115.9945 56.6168 44.6217 172.6047 73 Y 5.1524 8.8524 118.1603 56.4609 42.2165 173.8264 74 Q 5.1822 9.2181 124.9920 53.9631 31.4430 174.9942 75 S 4.2850 8.6034 121.5073 58.7128 63.1731 174.2917 76 Y 4.5254 9.1028 121.3904 60.3949 37.8315 176.3314 77 S 4.9061 7.8307 111.9492 56.0461 65.9099 173.2629 78 T 4.2374 8.0216 110.7015 61.8522 69.7788 173.7150 79 M 4.9368 8.8050 121.5616 53.3106 37.0152 174.6814 80 S 4.9253 9.2322 117.1390 58.4680 63.5851 173.0930 81 I 5.2144 9.2013 120.4308 59.5587 41.5629 174.0366 82 T 5.0638 9.0230 120.5023 62.0708 71.4196 172.6933 83 D 5.1032 9.5341 126.9055 53.0519 43.2999 174.7410 84 C 5.5257 9.2818 121.2790 55.2204 40.0510 172.9645 85 R 5.3771 8.9045 123.9582 54.1597 33.1430 174.3312 86 E 4.0519 9.2964 126.4354 56.7363 30.7489 177.3347 87 T 4.2222 8.4235 114.0015 60.6575 69.9941 175.9512 88 G 3.5825 8.5158 110.3749 47.7229 0.0000 174.5952 89 S 4.5953 7.2862 112.6080 57.7760 63.2996 174.0980 90 S 4.1911 7.5005 116.7051 58.3088 62.8576 173.5408 91 K 4.4761 8.3025 126.1259 54.9904 35.6868 174.3963 92 Y 4.2783 8.7948 127.3540 57.6222 39.0804 174.8224 93 P 2.9700 0.0000 0.0000 63.3279 32.5136 176.7149 94 N 4.6197 7.5770 119.9008 52.0493 36.9739 173.7119 95 C 4.5131 7.8300 116.6767 56.7887 42.8898 173.4185 96 A 4.9056 8.5788 124.3663 50.4482 21.9820 174.6628 97 Y 5.1403 8.7119 118.3673 55.9894 42.1564 174.7036 98 K 4.5772 9.2850 123.8202 55.3933 34.3286 175.0528 99 T 5.0808 8.5965 123.9512 62.4397 70.2777 174.0615 100 T 4.6256 8.9045 123.0762 61.7834 71.8462 173.0210 101 Q 4.9274 8.7298 127.4511 55.4207 30.7876 174.0477 102 A 4.5506 8.5559 124.8143 51.4971 23.6731 174.8199 103 N 5.5735 8.7039 116.3112 51.5938 41.0576 174.3462 104 K 4.6650 8.7215 122.1801 55.6040 36.9943 175.0294 105 H 4.8200 8.8509 118.1594 55.7900 30.0907 174.6032 106 I 4.7775 8.5332 115.7253 59.3334 40.6284 174.4188 107 I 5.0032 8.4519 124.2827 59.7479 40.0262 175.0120 108 V 4.6962 8.6015 119.6130 59.2881 35.6755 174.3814 109 A 4.9939 8.9431 125.6968 50.9165 20.6306 175.6089 110 C 5.2434 8.7302 119.7063 55.4347 37.8224 173.1557 111 E 4.6446 8.6550 119.6283 56.7287 34.5775 176.3516 112 G 4.0644 9.2679 109.8268 44.9257 0.0000 171.6410 113 N 5.0960 8.3815 116.9788 50.9792 41.0317 172.8948 114 P 4.3001 0.0000 0.0000 63.0326 31.7752 175.7911 115 Y 4.9511 8.3196 121.2559 57.2079 38.5859 174.5603 116 V 4.5033 8.0573 119.2731 58.2117 36.4800 173.4690 117 P 4.7494 0.0000 0.0000 63.1197 31.1868 176.9893 118 V 4.4279 8.7766 115.7801 61.3373 33.9986 175.3977 119 H 5.0146 7.9381 116.1865 54.6188 33.4275 172.3119 120 F 4.7989 8.9628 120.6220 56.3209 39.4991 175.2599 121 D 4.5693 9.0985 124.8363 56.1623 42.2436 175.6436 122 A 4.3343 7.3640 118.5670 52.5242 22.0493 174.4229 123 S 4.9941 8.5602 113.5920 57.5925 66.4695 174.7804 124 V 3.9650 9.0210 124.9187 62.9447 31.2031 175.1908 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 21 S 8.33 4.39 0.00 3.88 3.91 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 22 S 8.39 4.34 0.00 3.93 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 23 S 8.15 4.78 0.00 3.89 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 24 N 7.60 4.64 0.00 3.15 3.01 0.00 0.00 6.63 7.45 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 25 Y 8.69 4.05 0.00 3.06 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 7.99 4.12 0.00 3.30 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 8.89 4.34 0.00 2.91 2.93 0.00 0.00 7.13 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 28 Q 7.97 3.92 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 29 M 7.90 3.70 0.00 0.74 1.05 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.64 0.00 30 M 8.09 4.07 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.56 0.00 31 K 7.65 3.91 0.00 2.02 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 32 S 7.93 4.03 0.00 3.77 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 33 R 8.16 4.26 0.00 2.00 1.99 0.00 3.55 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 34 N 7.87 4.21 0.00 2.87 2.88 0.00 0.00 6.97 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 35 L 8.27 4.56 0.00 1.79 1.65 0.83 0.96 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 36 T 7.63 5.64 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 1.38 0.00 0.00 37 K 8.32 4.28 0.00 1.81 1.96 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.47 1.57 7.81 38 D 8.14 4.91 0.00 2.63 2.69 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 0.00 0.00 0.00 0.00 39 R 7.09 3.71 0.00 1.87 1.86 0.00 2.86 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 40 C 8.68 5.26 0.00 3.02 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 41 K 8.32 4.40 0.00 1.80 1.78 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.41 7.81 42 P 0.00 4.79 0.00 2.14 2.12 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 43 V 7.51 5.15 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 0.69 0.00 0.00 0.94 0.00 0.00 44 N 8.81 4.66 0.00 2.62 2.28 0.00 0.00 7.15 6.53 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 45 T 8.02 4.99 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 1.24 0.00 0.00 46 F 9.03 4.75 0.00 3.02 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 47 V 8.44 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 0.90 0.00 0.00 1.11 0.00 0.00 48 H 8.75 4.93 0.00 3.05 3.23 0.00 5.66 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 7.73 4.80 0.00 1.93 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 0.00 2.25 2.26 0.00 50 S 8.42 4.29 0.00 4.06 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 51 L 8.59 3.94 0.00 1.75 1.73 0.94 0.96 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 52 A 7.89 4.27 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 D 8.03 4.35 0.00 2.85 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 V 7.72 3.76 2.25 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 1.07 0.00 0.00 1.02 0.00 0.00 55 Q 8.35 3.97 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 56 A 8.01 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.47 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 0.93 0.00 0.00 0.89 0.00 0.00 58 C 7.75 3.97 0.00 2.93 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 7.32 4.62 0.00 3.92 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 7.20 4.19 0.00 1.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 1.44 2.08 0.00 61 K 8.39 4.32 0.00 2.08 1.93 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.47 7.81 62 N 8.85 4.48 0.00 2.80 2.67 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 8.38 4.61 2.02 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 0.69 0.00 0.00 0.84 0.00 0.00 64 A 8.41 4.36 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 9.08 4.76 0.00 3.08 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 66 K 8.84 3.71 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 67 N 7.99 4.50 0.00 2.80 2.91 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 8.15 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 0.00 0.00 0.00 69 Q 8.86 4.25 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 70 T 8.25 4.69 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 8.07 5.03 0.00 3.08 3.15 0.00 0.00 6.01 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 7.41 5.41 0.00 2.75 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 73 Y 8.85 5.15 0.00 2.83 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 74 Q 9.22 5.18 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 75 S 8.60 4.28 0.00 3.93 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 76 Y 9.10 4.53 0.00 3.03 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 77 S 7.83 4.91 0.00 3.98 3.91 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 78 T 8.02 4.24 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 1.01 0.00 0.00 79 M 8.80 4.94 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 80 S 9.23 4.93 0.00 3.93 3.88 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 81 I 9.20 5.21 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 1.00 0.00 0.00 82 T 9.02 5.06 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 1.36 0.00 0.00 83 D 9.53 5.10 0.00 2.80 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 84 C 9.28 5.53 0.00 2.90 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 85 R 8.90 5.38 0.00 1.94 1.79 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 86 E 9.30 4.05 0.00 1.98 1.71 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 1.88 1.81 0.00 87 T 8.42 4.22 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 1.17 0.00 0.00 88 G 8.52 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.60 0.00 4.04 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 90 S 7.50 4.19 0.00 3.74 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 91 K 8.30 4.48 0.00 1.83 1.58 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.79 4.28 0.00 3.09 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 93 P 0.00 2.97 0.00 1.73 1.22 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 94 N 7.58 4.62 0.00 2.75 2.76 0.00 0.00 6.91 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 95 C 7.83 4.51 0.00 3.16 3.09 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 96 A 8.58 4.91 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 8.71 5.14 0.00 2.88 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 98 K 9.29 4.58 0.00 1.82 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.60 5.08 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 1.31 0.00 0.00 100 T 8.90 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 1.24 0.00 0.00 101 Q 8.73 4.93 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 102 A 8.56 4.55 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 0.00 103 N 8.70 5.57 0.00 2.57 2.72 0.00 0.00 6.69 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 8.72 4.66 0.00 1.81 1.88 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.47 7.81 105 H 8.85 4.82 0.00 3.13 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.78 1.82 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 1.21 0.81 1.02 0.00 0.00 107 I 8.45 5.00 1.85 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 1.21 0.65 0.86 0.00 0.00 108 V 8.60 4.70 1.75 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 -0.17 0.00 0.00 0.76 0.00 0.00 109 A 8.94 4.99 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 8.73 5.24 0.00 1.84 1.93 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 0.00 111 E 8.66 4.64 0.00 1.86 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 2.29 2.26 0.00 112 G 9.27 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 8.38 5.10 0.00 2.64 2.69 0.00 0.00 6.86 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 3.59 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 8.32 4.95 0.00 2.83 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 0.00 116 V 8.06 4.50 2.02 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 0.70 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.75 0.00 1.89 1.79 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 118 V 8.78 4.43 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 0.66 0.00 0.00 0.96 0.00 0.00 119 H 7.94 5.01 0.00 3.05 3.14 0.00 5.60 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 8.96 4.80 0.00 2.81 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 0.00 121 D 9.10 4.57 0.00 2.62 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 0.00 122 A 7.36 4.33 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 0.00 123 S 8.56 4.99 0.00 3.86 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 0.00 124 V 9.02 3.96 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 0.77 0.00 0.00 0.95 0.00 0.00