NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3398 0.0000 0.0000 61.7513 32.5150 175.7850 3 K 4.0098 8.6690 123.7421 55.2870 32.5591 175.3414 4 K 3.9071 9.4175 127.6850 57.2573 33.5603 175.1073 5 V 4.9539 8.4252 126.3363 61.2317 33.5990 174.3055 6 L 4.8867 8.8450 126.0419 53.2917 46.6119 175.3137 7 T 4.7559 7.8642 115.8347 62.2725 72.6651 173.7264 8 G 3.9848 8.5244 110.6075 46.1878 0.0000 171.6727 9 V 4.9146 7.5922 118.2876 60.9669 34.3146 175.5808 10 V 4.2812 8.6909 127.7759 62.8962 31.8907 176.3755 11 V 4.3675 8.6359 121.4103 61.2976 32.7533 176.2784 12 S 4.4602 7.6665 116.3490 57.1621 65.6980 173.6069 13 D 4.7652 8.7218 125.0971 54.0178 41.5545 176.9072 14 K 4.2941 7.7756 114.7885 57.7891 31.9820 176.3662 15 M 4.6113 7.3355 117.2632 53.5304 34.1840 174.7534 16 Q 4.4066 8.3970 118.2086 55.8631 29.5759 176.2785 17 K 4.2168 8.9389 119.9065 57.3206 30.1397 174.2081 18 T 4.8735 7.5869 112.4143 62.1664 72.6185 173.8085 19 V 4.6876 9.1734 117.3429 59.9966 36.5895 174.9447 20 T 4.8181 8.5175 120.3673 62.3927 69.9417 173.8429 21 V 4.4097 8.6860 128.2148 61.5323 33.0156 174.9558 22 L 4.7792 9.1474 132.2679 53.7318 41.6631 174.1241 23 V 4.2125 8.7392 124.4572 61.5753 32.7597 174.0135 24 E 5.2522 8.7146 128.0658 54.7051 32.3410 174.6603 25 R 4.8123 9.2627 123.9893 55.0617 34.1106 173.6479 26 Q 5.1788 8.9858 122.5773 53.4275 32.6427 174.7184 27 F 5.1388 7.4930 118.9646 56.0139 41.0824 171.5916 28 P 4.9145 0.0000 0.0000 62.9562 32.1724 175.5533 29 H 4.5308 9.3479 123.9639 55.2789 30.3603 174.2274 30 P 4.1866 0.0000 0.0000 65.1664 30.8715 176.5246 31 L 4.5149 7.9674 117.2630 54.7312 44.0881 176.0194 32 Y 4.7853 7.8236 113.9268 56.7907 39.1184 178.2666 33 G 4.0968 8.6093 109.6669 46.2259 0.0000 174.6025 34 K 3.9009 8.0131 119.0633 57.4325 33.5650 176.7207 35 V 4.1915 8.4401 123.0688 63.0576 31.7374 175.2301 36 I 4.3201 8.3120 122.4263 59.3517 40.2507 174.3407 37 K 4.6989 8.2385 123.4214 54.7568 34.6734 174.8143 38 R 4.9603 9.2607 125.4002 54.8968 34.2544 173.4717 39 S 5.2201 8.4164 115.8089 57.1905 66.8430 172.8374 40 K 4.4458 8.8573 119.2130 55.4409 35.9895 174.1089 41 K 4.9715 8.5572 126.3891 55.2357 33.5222 175.1324 42 Y 4.5682 9.2736 123.6860 56.2261 40.4877 175.2230 43 L 4.8821 8.7003 123.5516 53.9780 42.5272 175.6811 44 A 5.0288 9.1050 127.1776 50.1679 21.5224 175.2463 45 H 4.7097 9.1566 123.2490 56.3959 31.1848 173.9477 46 D 4.9149 10.0256 125.7423 51.3102 40.9911 173.6707 47 P 4.1818 0.0000 0.0000 65.3801 31.6722 177.7470 48 E 4.1400 8.2147 112.7246 56.6071 29.2355 176.4067 49 E 3.9562 8.2626 117.6680 57.0836 27.8205 176.8718 50 K 3.9226 8.4019 118.8630 59.4508 32.6788 176.5009 51 Y 3.9236 8.0219 115.9324 58.2593 38.1972 176.4668 52 K 4.5621 8.9305 123.9968 53.8906 34.7799 175.4050 53 L 4.0531 8.1277 121.7763 56.7081 42.2176 177.2620 54 G 3.9915 9.0292 112.9068 45.3507 0.0000 173.1808 55 D 4.5617 7.5859 118.4845 54.1169 42.7093 175.5130 56 V 4.7179 8.5711 121.1432 61.5609 33.5499 175.0319 57 V 4.9024 8.9368 120.7470 59.6246 36.4030 174.0998 58 E 4.9539 8.8887 121.1672 55.1105 31.5569 175.7316 59 I 4.8348 9.2722 125.6256 59.7127 40.2192 174.5036 60 I 5.1038 8.5823 124.4410 58.8066 41.5258 174.1030 61 E 3.6176 9.2198 130.7461 56.8704 29.8853 175.9350 62 S 4.7335 7.9843 121.8881 56.3843 67.5802 173.5805 63 R 3.9937 8.4258 120.7015 55.2568 30.4001 174.1238 64 P 4.3210 0.0000 0.0000 63.6511 31.6879 175.9927 65 I 4.2480 7.7511 121.8269 61.8491 39.1579 175.0242 66 S 4.4257 7.3148 111.9455 57.1102 64.8649 174.0390 67 K 4.0458 8.4942 123.6756 56.4295 32.9605 175.8433 68 R 3.5033 8.3222 120.5207 55.6468 28.4045 177.4763 69 K 4.6467 6.8694 116.1863 56.5466 34.5228 173.7789 70 R 5.0140 7.9014 128.1423 55.5483 32.0609 174.7564 71 F 5.3935 8.3612 115.3777 56.0712 43.9645 173.9490 72 R 4.8616 8.8115 119.7625 54.2397 33.9960 175.6470 73 V 3.9234 7.9549 122.7950 62.6232 30.3131 175.6189 74 L 4.2597 8.6163 130.2299 57.1215 42.2538 176.6981 75 R 4.6500 7.5424 112.2137 55.5838 32.5043 172.3846 76 L 4.3917 8.6528 121.4259 54.6992 42.9406 174.6314 77 V 4.1664 9.2528 124.5941 62.8810 31.6596 174.9046 78 E 4.7738 7.9398 115.8023 54.6210 33.5376 175.7159 79 S 4.7248 8.2376 116.2727 55.9237 64.1966 173.7092 80 G 3.7950 8.7773 105.0489 47.3754 0.0000 173.4288 81 R 4.6399 7.7251 118.6708 54.2436 31.3801 175.6469 82 M 4.1484 7.8472 124.5322 58.6312 32.1108 177.4081 83 D 4.3959 8.2741 119.3784 56.8519 38.9728 179.2073 84 L 3.9956 7.9183 119.6956 57.6131 41.6556 179.3711 85 V 3.6861 7.8338 117.6567 66.1670 31.2892 177.4229 86 E 4.1029 8.9145 118.5214 59.5674 29.2639 179.1698 87 K 3.8749 7.7842 117.9001 60.0441 32.2021 178.5755 88 Y 4.1450 7.8985 119.2024 60.6173 38.8704 177.4216 89 L 3.6348 8.7358 120.6389 57.9722 41.8477 179.7438 90 I 3.6035 8.1314 119.6745 64.2465 36.8052 178.1578 91 R 3.8144 7.2623 118.4690 59.5689 30.0316 178.0785 92 R 2.9314 7.3640 117.9232 59.2345 29.8095 177.8992 93 Q 3.8863 7.9470 118.2058 59.7401 28.9860 178.4250 94 N 4.5625 8.3131 117.0151 55.9524 38.4633 176.8096 95 Y 4.1435 8.4761 119.0499 61.1759 37.8916 178.4088 96 Q 4.1261 8.1479 118.1280 57.5076 29.9880 176.5566 97 S 4.4634 8.6214 110.4089 58.4499 65.3743 172.3283 98 L 4.4163 5.6200 123.0976 54.3085 40.8068 176.2823 99 S 4.8305 8.8699 118.7134 59.9308 70.0800 176.8177 100 K 4.6439 7.9027 115.7239 54.6253 35.4889 176.5765 101 R 4.2460 8.7147 114.5492 54.5033 31.8260 176.6986 102 G 4.2546 8.2116 113.7424 45.9369 0.0000 172.6446 103 G 4.4844 8.4048 111.3055 44.1941 0.0000 173.8916 104 K 4.9654 6.7258 120.0265 53.6222 34.2344 176.1427 105 A 4.0950 8.5460 132.0425 54.1656 19.0155 176.2770 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 2 P 0.00 4.34 0.00 2.06 2.08 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 K 8.67 4.01 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81 4 K 9.42 3.91 0.00 1.94 1.84 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.51 7.81 5 V 8.43 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 0.92 0.00 0.00 0.99 0.00 0.00 6 L 8.85 4.89 0.00 1.08 1.16 0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.86 4.76 4.19 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 1.20 0.00 0.00 8 G 8.52 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 9 V 7.59 4.91 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 0.89 0.00 0.00 0.92 0.00 0.00 10 V 8.69 4.28 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 0.92 0.00 0.00 0.93 0.00 0.00 11 V 8.64 4.37 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 0.45 0.00 0.00 0.39 0.00 0.00 12 S 7.67 4.46 0.00 3.91 3.66 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 13 D 8.72 4.77 0.00 2.73 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 14 K 7.78 4.29 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 15 M 7.34 4.61 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 16 Q 8.40 4.41 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.24 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 17 K 8.94 4.22 0.00 2.03 1.92 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 18 T 7.59 4.87 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 1.29 0.00 0.00 19 V 9.17 4.69 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 0.80 0.00 0.00 0.95 0.00 0.00 20 T 8.52 4.82 4.19 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 1.14 0.00 0.00 21 V 8.69 4.41 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 0.78 0.00 0.00 0.83 0.00 0.00 22 L 9.15 4.78 0.00 1.43 1.47 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.74 4.21 2.22 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 0.94 0.00 0.00 0.62 0.00 0.00 24 E 8.71 5.25 0.00 1.99 1.78 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 2.19 2.41 0.00 25 R 9.26 4.81 0.00 1.90 1.79 0.00 3.23 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 26 Q 8.99 5.18 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 27 F 7.49 5.14 0.00 3.08 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 28 P 0.00 4.91 0.00 2.19 2.17 0.00 4.00 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 2.12 2.04 0.00 29 H 9.35 4.53 0.00 3.27 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.19 0.00 2.11 2.12 0.00 3.47 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 31 L 7.97 4.51 0.00 1.33 1.10 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.82 4.79 0.00 2.92 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 33 G 8.61 4.10 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 0.00 34 K 8.01 3.90 0.00 1.88 2.02 0.00 1.19 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.49 7.81 35 V 8.44 4.19 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 0.79 0.00 0.00 0.94 0.00 0.00 36 I 8.31 4.32 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.05 0.95 0.00 0.00 37 K 8.24 4.70 0.00 1.68 1.64 0.00 1.71 0.00 0.00 2.11 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.35 7.81 38 R 9.26 4.96 0.00 1.98 1.84 0.00 3.42 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 39 S 8.42 5.22 0.00 3.87 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 40 K 8.86 4.45 0.00 1.83 1.72 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.56 1.13 7.81 41 K 8.56 4.97 0.00 1.60 1.65 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.37 7.81 42 Y 9.27 4.57 0.00 2.65 2.71 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 43 L 8.70 4.88 0.00 1.59 1.69 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.11 5.03 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 45 H 9.16 4.71 0.00 3.28 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 10.03 4.91 0.00 2.80 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 47 P 0.00 4.18 0.00 2.06 2.13 0.00 3.68 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 48 E 8.21 4.14 0.00 1.97 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 2.32 2.35 0.00 49 E 8.26 3.96 0.00 2.04 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 2.29 2.38 0.00 50 K 8.40 3.92 0.00 1.59 1.67 0.00 1.75 0.00 0.00 1.30 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.70 1.19 7.81 51 Y 8.02 3.92 0.00 3.14 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 52 K 8.93 4.56 0.00 1.79 1.73 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 53 L 8.13 4.05 0.00 1.60 1.59 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.03 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 0.00 0.00 0.00 55 D 7.59 4.56 0.00 2.76 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 56 V 8.57 4.72 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 0.96 0.00 0.00 0.93 0.00 0.00 57 V 8.94 4.90 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 0.70 0.00 0.00 0.77 0.00 0.00 58 E 8.89 4.95 0.00 1.85 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 2.20 2.24 0.00 59 I 9.27 4.83 1.44 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.67 0.45 0.00 0.00 60 I 8.58 5.10 1.90 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 1.14 1.77 0.97 0.00 0.00 61 E 9.22 3.62 0.00 2.15 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 2.14 1.93 0.00 62 S 7.98 4.73 0.00 3.66 3.67 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 63 R 8.43 3.99 0.00 1.73 1.78 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.32 0.00 2.04 1.99 0.00 3.64 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 2.09 0.00 65 I 7.75 4.25 1.82 0.00 0.00 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 1.11 0.71 0.69 0.00 0.00 66 S 7.31 4.43 0.00 3.76 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 67 K 8.49 4.05 0.00 1.76 1.70 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.43 7.81 68 R 8.32 3.50 0.00 1.88 1.88 0.00 3.42 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 69 K 6.87 4.65 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.55 7.81 70 R 7.90 5.01 0.00 1.68 1.50 0.00 3.18 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 71 F 8.36 5.39 0.00 2.94 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 72 R 8.81 4.86 0.00 1.76 1.80 0.00 3.16 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 73 V 7.95 3.92 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 -0.73 0.00 0.00 0.65 0.00 0.00 74 L 8.62 4.26 0.00 1.70 1.79 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.54 4.65 0.00 1.93 2.01 0.00 3.02 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 76 L 8.65 4.39 0.00 1.93 1.68 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.25 4.17 2.22 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 0.84 0.00 0.00 0.92 0.00 0.00 78 E 7.94 4.77 0.00 2.03 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 2.24 2.27 0.00 79 S 8.24 4.72 0.00 3.85 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 80 G 8.78 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 0.00 0.00 0.00 81 R 7.73 4.64 0.00 2.09 2.03 0.00 2.95 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 82 M 7.85 4.15 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.27 4.40 0.00 2.87 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 84 L 7.92 4.00 0.00 1.96 1.76 0.92 0.72 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 85 V 7.83 3.69 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 1.15 0.00 0.00 0.96 0.00 0.00 86 E 8.91 4.10 0.00 2.26 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 2.56 2.52 0.00 87 K 7.78 3.87 0.00 2.02 1.94 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 88 Y 7.90 4.14 0.00 2.96 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 89 L 8.74 3.63 0.00 1.68 1.64 0.94 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.13 3.60 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.89 0.00 0.00 91 R 7.26 3.81 0.00 1.91 1.89 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 92 R 7.36 2.93 0.00 1.20 1.64 0.00 2.97 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 93 Q 7.95 3.89 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 94 N 8.31 4.56 0.00 3.09 2.93 0.00 0.00 6.95 7.10 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 95 Y 8.48 4.14 0.00 3.11 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 96 Q 8.15 4.13 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 97 S 8.62 4.46 0.00 4.15 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 98 L 5.62 4.42 0.00 1.84 1.76 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.87 4.83 0.00 3.93 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 0.00 100 K 7.90 4.64 0.00 1.69 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 101 R 8.71 4.25 0.00 1.76 1.68 0.00 3.50 0.00 0.00 3.23 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 102 G 8.21 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 0.00 0.00 0.00 0.00 103 G 8.40 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.73 4.97 0.00 1.78 1.08 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 105 A 8.55 4.10 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