NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0611 8.0393 120.3933 61.7641 32.6935 175.2588 6 P 4.2768 0.0000 0.0000 59.9803 31.8397 173.8052 7 P 4.4271 0.0000 0.0000 62.4321 32.8379 176.9594 8 E 3.9287 8.6037 120.9833 56.0806 30.1831 176.0369 9 V 4.2881 8.0050 125.2736 61.0482 33.0591 174.5350 10 F 4.5346 8.8104 125.9312 55.7231 40.5633 175.3464 11 D 4.6472 8.5960 125.6020 53.1940 41.4445 176.4780 12 L 4.0120 8.4752 128.4803 57.8306 41.6900 179.6408 13 V 3.7526 7.9635 117.4606 65.9733 31.5938 177.6450 14 A 4.0580 8.3386 120.5538 55.3636 18.2338 179.4823 15 E 3.9883 8.4938 117.0894 59.6928 29.5488 179.4121 16 D 4.3862 8.4248 119.0526 57.2201 40.8538 178.9106 17 K 4.1566 8.5369 119.0956 59.5225 32.1115 179.0964 18 A 4.0530 8.2496 121.0168 55.2524 18.3300 179.6691 19 R 3.8601 8.1822 117.0432 59.9098 30.2927 178.1666 20 C 4.4468 8.3701 116.3453 60.2443 41.1372 176.0308 21 M 4.3364 8.4916 121.8139 58.1831 31.3669 179.0769 22 S 4.2244 8.0014 114.0708 61.4667 63.0402 176.2747 23 E 4.1731 8.1416 120.2783 58.3661 29.2604 177.1772 24 H 4.8440 7.3154 112.4214 54.5241 30.1630 173.5965 25 G 3.9356 8.1657 106.7059 46.8551 0.0000 173.9919 26 T 4.4173 7.9696 116.5628 62.7351 69.6696 174.9256 27 T 4.5530 8.6133 116.5528 60.4773 71.8412 175.8881 28 Q 3.8815 8.4904 122.2151 59.3617 29.0426 178.4183 29 A 3.9677 7.9418 121.3083 55.2322 18.4877 179.5355 30 Q 3.9284 7.8347 116.3547 59.0491 28.8345 178.9290 31 I 3.6908 7.5952 114.1209 64.0120 37.4055 178.0354 32 D 4.3890 8.4197 120.9976 57.1032 40.5959 178.3829 33 D 4.3608 8.1090 119.4835 57.5195 40.8109 179.0638 34 V 3.8537 7.7888 118.4512 66.2021 31.3280 177.7573 35 D 4.5997 8.2785 117.5876 56.6918 40.7226 177.8728 36 K 4.3830 7.6651 117.1467 56.2034 32.4021 177.5379 37 G 2.7763 8.0251 107.9144 45.0632 0.0000 172.9796 38 N 4.6031 7.8726 117.3086 51.4837 38.9278 174.5108 39 L 4.9114 8.2230 123.2531 52.9503 44.2359 176.5315 40 V 4.5470 8.0975 114.3474 59.8979 36.0989 175.5398 41 N 3.8699 7.9982 122.2223 52.5104 37.4584 175.3820 42 E 4.5669 7.4220 119.1849 53.7108 32.8394 174.6863 43 P 4.5454 0.0000 0.0000 65.0295 31.2031 178.6360 44 S 4.2815 8.1613 111.6426 60.8989 63.0259 175.3706 45 I 4.2659 7.6590 121.1707 62.8736 38.7110 177.4171 46 T 4.1430 8.3256 111.0617 64.9298 68.6000 176.1441 47 C 4.4241 8.5866 119.8225 59.6697 41.0539 175.2600 48 Y 4.0801 8.0873 120.9345 60.9890 38.4654 177.9646 49 M 3.8993 8.3558 119.5161 58.4670 32.2062 177.9961 50 Y 4.0419 8.1634 119.6520 60.9046 38.9633 177.3369 51 C 3.9362 8.3689 119.5054 59.5666 38.2795 175.3944 52 L 3.8096 7.7180 121.9133 58.0083 41.5901 178.8155 53 L 3.9337 7.7576 118.9847 57.8058 41.5208 179.1795 54 E 3.9206 8.0355 119.1220 59.0853 29.2643 178.6431 55 A 3.9359 7.8477 120.0659 54.7872 18.4483 178.6084 56 F 4.1777 7.8315 113.4315 56.8132 39.0697 176.0745 57 S 3.8355 7.7860 113.1349 59.5811 60.8555 173.1359 58 L 4.2361 8.1019 123.2125 56.7230 41.7459 177.3327 59 V 4.9731 7.3257 109.5732 59.5242 35.8820 174.7098 60 D 4.8752 8.3021 121.5478 52.2160 41.5742 176.7071 61 D 5.2101 8.5793 117.3572 54.3465 39.3983 176.1223 62 E 4.6456 9.0602 118.5387 54.9134 30.1594 176.0394 63 A 4.1364 8.1749 119.5171 53.2540 16.9008 177.9076 64 N 4.6563 7.8034 117.3163 54.0954 39.4470 175.2269 65 V 4.1348 8.2267 122.8757 62.5122 32.5595 175.7700 66 D 4.6376 8.8217 126.9696 52.9020 41.1248 176.5791 67 E 3.9182 8.5383 128.6436 59.2467 29.7920 178.0857 68 D 4.3646 8.1110 118.6185 57.3440 40.7136 178.6097 69 I 3.7873 7.6114 119.3640 64.2066 37.5220 177.8501 70 M 4.1068 8.1809 119.1841 58.7721 32.1492 178.3772 71 L 4.0700 8.3502 119.5560 57.5555 41.5183 179.5490 72 G 3.7269 7.7254 104.4743 46.9499 0.0000 175.1590 73 L 4.1190 7.6627 119.8883 55.5060 42.0089 176.7701 74 L 4.5830 6.8154 118.4906 51.6067 44.0938 174.4949 75 P 4.4802 0.0000 0.0000 62.4295 32.4154 176.9709 76 D 4.3570 8.7183 118.6946 57.8864 40.3959 179.2243 77 Q 4.1261 8.0528 116.5570 57.8610 29.0396 177.3725 78 L 4.5168 7.6651 118.6468 54.6714 42.0225 178.2489 79 Q 3.9464 7.8550 119.8215 58.9795 28.6381 178.4997 80 E 3.9277 8.0395 119.0874 59.3245 29.6334 178.9565 81 R 3.8652 8.0491 118.0551 59.5435 30.0099 178.2407 82 A 3.9441 8.1551 120.4098 55.2568 18.3510 179.4725 83 Q 3.9310 8.3905 117.0069 59.2315 28.6203 179.3316 84 S 4.0641 8.1088 114.0800 61.2941 62.5970 176.3327 85 V 3.6101 7.7741 120.9969 66.4171 31.2834 177.9927 86 M 4.2286 8.5610 118.9004 58.1736 31.4944 178.9571 87 G 3.6571 8.1233 105.4645 47.5421 0.0000 175.4296 88 K 4.2501 7.6660 119.6594 57.9012 32.3898 177.0005 89 C 4.8983 7.9190 113.3302 56.3070 41.8671 173.6078 90 L 4.9209 7.5664 119.5837 51.7670 43.8619 174.6185 91 P 4.5224 0.0000 0.0000 62.2837 32.1610 176.4203 92 T 4.1290 8.1557 109.9060 62.1154 69.4531 173.6068 93 S 4.6022 8.1200 115.8277 56.3705 65.8276 173.7219 94 G 4.4215 7.9634 110.8019 45.2289 0.0000 172.4859 95 S 4.2941 8.1967 113.6261 60.3083 63.5666 173.7343 96 D 4.5323 7.4662 119.6537 51.4162 42.5544 175.5067 97 N 4.0975 8.4293 116.2200 56.5856 38.1480 178.3629 98 C 4.3622 7.9925 117.4337 60.0514 41.0566 175.4943 99 N 4.2691 8.9837 119.1023 56.3362 38.4917 176.9527 100 K 4.4184 8.2833 121.8372 59.1361 32.1521 179.2887 101 I 3.8722 7.7735 119.4003 64.1810 36.9644 177.6381 102 Y 4.1726 8.3915 120.8241 61.1122 38.6312 178.2853 103 N 4.1808 8.5738 117.3581 55.8754 38.5352 177.2141 104 L 3.9040 8.1224 121.6245 58.1270 42.1907 178.7394 105 A 4.1791 8.3394 121.0344 55.3702 18.3058 179.7031 106 K 3.7137 7.9100 116.9567 59.6439 31.9584 178.7963 107 C 4.2421 8.2018 118.7075 59.6591 39.5987 175.7868 108 V 3.5706 8.2718 120.3416 65.9309 30.9774 177.7997 109 Q 4.1567 8.5395 119.4982 59.4872 28.7399 178.1800 110 E 3.9959 8.1325 118.2153 59.4316 29.5336 179.2317 111 S 4.3989 8.3340 114.3536 60.0782 64.5264 174.6746 112 A 4.7680 7.7581 124.3815 50.0287 18.8011 174.8431 113 P 4.7506 0.0000 0.0000 63.7207 32.2525 178.5392 114 D 4.5404 8.0307 117.8031 55.2547 39.8821 176.4718 115 V 4.4715 7.4882 111.2181 59.4636 35.5956 174.8981 116 W 5.0922 8.0893 131.4903 56.3673 32.6810 174.0221 117 F 4.3638 8.0981 125.0357 56.2353 39.7131 175.8785 118 V 4.2850 7.7598 116.9334 59.2697 35.5101 175.2157 119 I 3.7066 8.1879 122.0273 61.2936 37.7791 175.5520 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 5 V 8.04 4.06 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 1.01 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.28 0.00 2.29 2.04 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 7 P 0.00 4.43 0.00 2.25 2.13 0.00 3.77 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 8 E 8.60 3.93 0.00 1.90 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 1.47 1.91 0.00 9 V 8.01 4.29 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 0.90 0.00 0.00 0.92 0.00 0.00 10 F 8.81 4.53 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 11 D 8.60 4.65 0.00 2.74 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 12 L 8.48 4.01 0.00 1.77 1.69 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.96 3.75 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 1.23 0.00 0.00 1.12 0.00 0.00 14 A 8.34 4.06 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.49 3.99 0.00 2.20 2.06 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 2.66 2.63 0.00 16 D 8.42 4.39 0.00 2.94 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 17 K 8.54 4.16 0.00 2.06 2.07 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.75 7.81 18 A 8.25 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.18 3.86 0.00 1.93 2.12 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 20 C 8.37 4.45 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 21 M 8.49 4.34 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.19 0.00 22 S 8.00 4.22 0.00 4.00 3.95 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 23 E 8.14 4.17 0.00 2.08 1.83 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 2.33 2.51 0.00 24 H 7.32 4.84 0.00 3.39 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.17 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 26 T 7.97 4.42 4.15 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 0.00 0.00 0.00 1.00 0.00 0.00 27 T 8.61 4.55 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 1.20 0.00 0.00 28 Q 8.49 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 29 A 7.94 3.97 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 30 Q 7.83 3.93 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 31 I 7.60 3.69 1.72 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 1.46 0.77 0.19 0.00 0.00 32 D 8.42 4.39 0.00 2.86 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 33 D 8.11 4.36 0.00 2.94 2.72 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 34 V 7.79 3.85 2.36 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 1.44 0.00 0.00 1.12 0.00 0.00 35 D 8.28 4.60 0.00 2.94 2.81 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 36 K 7.67 4.38 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 37 G 8.03 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 0.00 0.00 0.00 38 N 7.87 4.60 0.00 2.84 2.74 0.00 0.00 6.72 7.42 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 39 L 8.22 4.91 0.00 1.60 1.68 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.10 4.55 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 0.72 0.00 0.00 1.03 0.00 0.00 41 N 8.00 3.87 0.00 1.44 2.29 0.00 0.00 6.83 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 42 E 7.42 4.57 0.00 1.99 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 2.23 2.27 0.00 43 P 0.00 4.55 0.00 2.16 2.13 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 44 S 8.16 4.28 0.00 4.05 4.04 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 45 I 7.66 4.27 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 1.04 0.00 0.00 46 T 8.33 4.14 4.56 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 0.00 0.00 0.00 1.44 0.00 0.00 47 C 8.59 4.42 0.00 2.93 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 48 Y 8.09 4.08 0.00 3.16 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 49 M 8.36 3.90 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.76 0.00 50 Y 8.16 4.04 0.00 3.12 3.15 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 0.00 0.00 0.00 0.00 51 C 8.37 3.94 0.00 3.20 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.81 0.00 1.31 1.32 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.76 3.93 0.00 1.74 1.63 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.04 3.92 0.00 1.36 1.70 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 2.37 2.32 0.00 55 A 7.85 3.94 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 56 F 7.83 4.18 0.00 2.91 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 57 S 7.79 3.84 0.00 4.02 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 58 L 8.10 4.24 0.00 1.81 1.68 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.33 4.97 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 0.80 0.00 0.00 0.84 0.00 0.00 60 D 8.30 4.88 0.00 2.95 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 61 D 8.58 5.21 0.00 2.86 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 62 E 9.06 4.65 0.00 1.99 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 2.22 2.32 0.00 63 A 8.17 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.80 4.66 0.00 3.13 2.77 0.00 0.00 6.70 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 65 V 8.23 4.13 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 0.75 0.00 0.00 0.95 0.00 0.00 66 D 8.82 4.64 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 67 E 8.54 3.92 0.00 2.06 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 0.00 2.36 2.38 0.00 68 D 8.11 4.36 0.00 2.87 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 69 I 7.61 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.96 0.00 0.00 70 M 8.18 4.11 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 71 L 8.35 4.07 0.00 1.66 1.86 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.73 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.66 4.12 0.00 1.62 1.60 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 L 6.82 4.58 0.00 1.59 1.36 0.63 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.48 0.00 2.35 2.17 0.00 3.57 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 2.04 1.98 0.00 76 D 8.72 4.36 0.00 2.69 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 77 Q 8.05 4.13 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 78 L 7.67 4.52 0.00 1.73 1.58 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.85 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 80 E 8.04 3.93 0.00 2.00 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 2.39 2.35 0.00 81 R 8.05 3.87 0.00 1.88 1.94 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 82 A 8.16 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.39 3.93 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 84 S 8.11 4.06 0.00 3.91 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 85 V 7.77 3.61 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 1.00 0.00 0.00 1.02 0.00 0.00 86 M 8.56 4.23 0.00 2.03 2.08 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 2.59 2.82 0.00 87 G 8.12 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 0.00 0.00 0.00 88 K 7.67 4.25 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 89 C 7.92 4.90 0.00 2.97 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 90 L 7.57 4.92 0.00 1.72 1.55 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.52 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 92 T 8.16 4.13 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 1.26 0.00 0.00 93 S 8.12 4.60 0.00 3.98 3.95 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 94 G 7.96 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 0.00 0.00 0.00 0.00 95 S 8.20 4.29 0.00 3.99 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 96 D 7.47 4.53 0.00 2.86 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 97 N 8.43 4.10 0.00 2.15 1.62 0.00 0.00 6.84 7.66 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 98 C 7.99 4.36 0.00 3.07 3.22 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 99 N 8.98 4.27 0.00 2.81 2.83 0.00 0.00 7.24 6.76 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 0.00 100 K 8.28 4.42 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.52 7.81 101 I 7.77 3.87 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.18 1.02 0.00 0.00 102 Y 8.39 4.17 0.00 3.11 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 0.00 103 N 8.57 4.18 0.00 2.98 2.86 0.00 0.00 6.72 7.21 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 0.00 104 L 8.12 3.90 0.00 1.86 1.87 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.34 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.91 3.71 0.00 1.64 1.69 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.50 0.75 7.81 107 C 8.20 4.24 0.00 3.09 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 0.00 108 V 8.27 3.57 2.37 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 1.07 0.00 0.00 1.00 0.00 0.00 109 Q 8.54 4.16 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 110 E 8.13 4.00 0.00 2.03 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 2.32 2.41 0.00 111 S 8.33 4.40 0.00 3.90 3.95 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 0.00 112 A 7.76 4.77 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.75 0.00 2.19 2.19 0.00 3.40 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 114 D 8.03 4.54 0.00 2.82 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 0.00 115 V 7.49 4.47 1.88 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 0.70 0.00 0.00 1.07 0.00 0.00 116 W 8.09 5.09 0.00 3.16 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 0.00 117 F 8.10 4.36 0.00 2.83 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 0.00 118 V 7.76 4.29 2.17 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 0.57 0.00 0.00 0.92 0.00 0.00 119 I 8.19 3.71 1.50 0.00 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.80 0.00 0.00