NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2698 8.2549 120.8599 55.4438 32.1038 175.1145 7 L 4.5363 7.5669 116.8899 52.1731 43.5575 174.6738 8 L 3.9747 8.3904 122.7000 56.2470 42.9454 177.2293 9 G 3.8039 9.0258 110.5888 45.6695 0.0000 172.5757 10 A 4.7711 7.4766 119.7226 48.9825 21.4251 175.9092 11 P 4.3897 0.0000 0.0000 63.0555 31.8711 176.3575 12 V 4.1470 8.7875 123.6175 59.1742 34.6178 173.5807 13 P 4.0691 0.0000 0.0000 62.7751 31.7887 172.0856 14 V 3.7434 7.7409 126.0350 60.9646 32.8384 171.8361 15 D 4.5713 8.3927 123.4138 53.6351 41.9861 176.4457 16 E 3.9857 8.5902 124.3930 59.6208 29.5254 178.0764 17 N 4.9912 8.1751 112.3520 52.1786 37.5646 174.7252 18 D 4.3806 8.1423 119.4862 54.7285 41.4778 176.0242 19 E 3.9526 8.9599 127.2308 59.9387 29.1940 179.4587 20 G 3.7133 7.6995 106.6544 47.0572 0.0000 175.5544 21 L 3.3874 8.7763 123.2229 58.0438 42.0874 178.5026 22 Q 4.1250 8.0670 117.5448 59.4357 28.6753 179.2984 23 R 3.8406 7.9346 118.8524 59.4905 30.0240 178.4256 24 A 3.8040 7.3653 120.2412 54.9587 18.2279 179.2396 25 L 3.7900 8.6350 119.8891 58.5326 42.1483 178.6443 26 Q 3.7731 8.7765 120.2871 59.3371 28.9468 178.7636 27 F 3.9673 8.4098 120.9956 61.5980 39.1998 176.5612 28 A 3.6054 7.7507 118.3462 55.6618 18.2549 178.9746 29 M 3.8305 8.0946 116.0119 58.5631 32.0615 178.7924 30 A 3.9147 8.0158 120.8176 55.3052 18.5013 178.6847 31 E 3.9373 7.9864 115.4766 57.6395 29.3851 176.2399 32 Y 4.1598 7.5758 115.7895 60.0402 40.6126 176.5432 33 N 4.4847 8.6259 116.9346 56.8874 38.8259 177.3797 34 R 4.0233 7.7317 118.1362 59.0254 30.2123 178.5641 35 A 4.0676 7.6443 119.7782 53.6483 18.7598 178.0964 36 S 4.0804 7.2988 111.4429 58.4401 62.9526 173.3117 37 N 4.6862 8.3262 121.7447 53.4748 39.8025 174.7178 38 D 4.4651 7.6648 117.8773 54.6169 41.5482 176.3936 39 K 4.0633 8.7047 124.9805 58.1610 32.4407 175.8486 40 Y 4.9336 10.2198 117.3858 55.9148 39.6584 175.5770 41 S 4.4092 8.8195 119.6298 58.1787 64.1116 174.2042 42 S 5.1188 8.4144 119.9211 57.9836 65.1853 172.7044 43 R 4.3222 7.9107 118.2694 56.2476 34.0114 173.5071 44 V 4.4329 8.5344 122.7178 62.5922 31.9908 175.9171 45 V 4.0867 9.2524 128.4055 65.1725 32.4229 176.0743 46 R 4.4283 7.4998 113.3480 55.7139 32.0888 174.2455 47 V 4.0335 8.4217 114.3640 60.3975 31.8585 176.1293 48 I 3.9684 8.8842 128.3481 63.3897 37.3175 177.4041 49 S 4.4804 7.9054 121.7387 57.3951 65.3207 171.7232 50 A 5.2888 8.6663 126.5952 50.0687 21.3191 175.5718 51 K 5.4215 9.0630 119.4778 53.6819 37.1205 175.2998 52 R 4.9194 9.7067 124.6912 54.5260 33.0206 173.8262 53 Q 4.8536 8.9377 127.7624 54.1088 31.8179 173.7956 54 L 4.6131 8.4209 128.1376 54.3393 42.8360 176.0183 55 V 4.0830 8.4101 121.6684 61.1786 35.1009 176.8849 56 S 4.6980 8.7091 114.8480 56.4706 61.3241 172.4593 57 G 3.7937 7.5576 108.9537 44.0598 0.0000 170.2427 58 I 4.8049 8.6696 120.7232 59.2589 40.6798 174.8388 59 K 5.0556 8.6527 126.5428 54.8357 35.3901 174.3274 60 Y 5.3061 9.2078 124.2007 56.3080 41.9072 174.9531 61 I 4.7862 9.1404 123.0423 59.8974 40.5697 174.2856 62 L 4.9692 9.1508 128.0503 53.0422 44.4772 176.0230 63 Q 4.8613 8.5241 122.0445 54.5298 31.3731 174.2731 64 V 4.9241 8.4446 118.8999 59.4734 36.8183 174.1897 65 E 4.8346 8.6860 123.7964 54.9825 31.1525 174.8455 66 I 4.8647 8.7357 127.7308 59.8367 40.8752 174.2786 67 G 4.2794 8.9159 112.2294 44.9194 0.0000 171.6951 68 R 4.7214 8.6033 120.3770 55.3408 31.5887 176.1838 69 T 4.4421 7.9028 118.2612 59.5651 69.6798 174.0789 70 T 3.7762 7.7811 114.7196 61.2195 68.7362 173.4966 71 C 5.0464 7.7548 117.6955 55.4613 44.8439 172.5980 72 P 5.0721 0.0000 0.0000 61.1710 32.3979 177.8792 73 K 4.2230 8.1635 118.1085 56.8553 29.5382 176.4989 74 S 3.9388 7.5003 121.7231 60.6798 63.3954 176.8614 75 S 3.8761 6.8515 115.7486 58.0455 61.3901 173.7452 76 G 4.1418 12.0000 108.5439 46.3419 0.0000 172.8842 77 D 4.5273 7.6386 118.2737 50.4310 47.3800 175.0965 78 L 3.8223 7.4514 121.5918 55.3450 39.5787 173.7676 79 Q 3.9443 7.9706 119.8135 58.0132 29.5107 172.3929 80 S 4.6316 8.1703 121.5155 56.7736 63.7475 176.3193 81 C 4.8351 8.2449 128.6358 56.4933 40.7613 172.9974 82 E 4.8538 8.3943 121.2516 55.6107 33.9265 175.2373 83 F 4.3815 8.7512 120.4466 57.0463 40.1098 175.3404 84 H 4.1171 8.5366 119.0674 55.9895 29.0288 175.7470 85 D 4.4308 8.8617 123.2166 56.5096 41.5735 175.9515 86 E 4.5883 7.9715 119.2311 53.9779 30.5830 174.2362 87 P 5.2205 0.0000 0.0000 61.0223 28.7794 174.7549 88 E 5.1685 7.6006 123.7323 56.1873 31.4340 177.8249 89 M 4.3320 8.2988 118.1847 56.1493 34.1569 176.5093 90 A 4.0326 8.2610 120.5956 53.6063 19.3730 177.7509 91 K 4.3507 7.8923 115.1200 56.4705 29.3761 174.1908 92 Y 4.3558 7.6282 118.3656 59.6057 39.1674 177.1624 93 T 4.3339 8.2526 115.0024 62.3532 72.1147 171.4248 94 T 5.0924 8.1876 118.4935 61.9118 72.1094 174.2852 95 C 5.4333 9.0038 121.7618 55.1763 39.3902 173.1626 96 T 5.2479 8.0050 109.9686 59.1767 70.8508 172.9288 97 F 5.4832 8.5492 124.9125 56.0336 42.2032 175.4572 98 V 5.2040 8.9628 121.0060 60.3277 33.2364 173.8717 99 V 4.8126 8.4195 126.7303 61.6444 34.0316 173.8777 100 Y 5.3256 8.6287 126.9845 56.2811 41.7415 173.5080 101 S 4.7194 9.1928 122.6371 56.6525 64.9287 173.1379 102 I 3.9358 7.7092 127.3367 57.6619 36.8106 173.8968 103 P 4.0498 0.0000 0.0000 65.4800 31.2135 179.1898 104 W 4.5868 7.7543 111.2231 57.0348 27.5713 175.9990 105 L 4.6329 7.7910 117.1340 54.2514 43.0654 176.4811 106 N 3.8114 8.2194 115.2962 54.2335 36.8217 173.6806 107 Q 4.6727 7.0618 114.2143 54.6323 32.4736 174.0916 108 I 4.6445 7.6129 118.0102 59.8647 41.0480 173.2466 109 K 4.7341 8.7636 126.7627 54.7088 36.8994 175.0582 110 L 4.9687 8.4779 121.9643 53.3585 41.8628 175.7806 111 L 4.3311 9.3843 124.7067 56.9562 42.4674 177.1428 112 E 4.7863 8.1617 118.8297 54.7746 33.2277 174.4599 113 S 5.6846 8.6800 120.3958 55.9229 63.5192 171.0896 114 K 4.5848 8.2115 128.0443 55.7170 34.4689 175.5898 115 C 5.1642 8.7134 124.2328 55.2755 42.9730 173.8983 116 Q 4.1433 9.0908 119.0138 56.4196 28.3599 176.3218 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 6 R 8.25 4.27 0.00 1.77 2.03 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 7 L 7.57 4.54 0.00 1.74 1.55 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.39 3.97 0.00 1.61 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.03 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 10 A 7.48 4.77 1.21 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 0.00 0.00 11 P 0.00 4.39 0.00 1.94 2.01 0.00 3.62 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 2.02 2.07 0.00 12 V 8.79 4.15 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 0.81 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.07 0.00 2.21 2.07 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 14 V 7.74 3.74 2.14 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 0.73 0.00 0.00 1.03 0.00 0.00 15 D 8.39 4.57 0.00 2.72 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 16 E 8.59 3.99 0.00 2.03 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 2.37 2.29 0.00 17 N 8.18 4.99 0.00 2.84 2.92 0.00 0.00 6.34 8.06 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 18 D 8.14 4.38 0.00 2.99 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 19 E 8.96 3.95 0.00 2.20 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 0.00 2.40 2.39 0.00 20 G 7.70 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 21 L 8.78 3.39 0.00 1.85 1.70 0.98 0.38 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 22 Q 8.07 4.13 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 23 R 7.93 3.84 0.00 1.86 1.87 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 24 A 7.37 3.80 0.62 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 25 L 8.64 3.79 0.00 1.65 1.65 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.78 3.77 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 27 F 8.41 3.97 0.00 3.19 3.18 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 28 A 7.75 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.09 3.83 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 30 A 8.02 3.91 1.27 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 0.00 0.00 31 E 7.99 3.94 0.00 1.34 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 2.08 2.20 0.00 32 Y 7.58 4.16 0.00 3.17 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 33 N 8.63 4.48 0.00 2.76 2.94 0.00 0.00 7.21 7.19 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 34 R 7.73 4.02 0.00 1.80 1.93 0.00 3.11 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 35 A 7.64 4.07 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 36 S 7.30 4.08 0.00 3.60 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 37 N 8.33 4.69 0.00 2.68 2.78 0.00 0.00 6.97 8.47 0.00 0.00 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 D 7.66 4.47 0.00 2.69 2.62 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 39 K 8.70 4.06 0.00 1.59 1.58 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.31 7.81 40 Y 10.22 4.93 0.00 3.28 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 41 S 8.82 4.41 0.00 4.00 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 42 S 8.41 5.12 0.00 3.74 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 43 R 7.91 4.32 0.00 1.75 1.52 0.00 2.99 0.00 0.00 2.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 44 V 8.53 4.43 2.14 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 0.92 0.00 0.00 1.00 0.00 0.00 45 V 9.25 4.09 2.16 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 0.70 0.00 0.00 0.63 0.00 0.00 46 R 7.50 4.43 0.00 1.86 1.94 0.00 2.96 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 47 V 8.42 4.03 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 0.76 0.00 0.00 0.98 0.00 0.00 48 I 8.88 3.97 1.94 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 1.27 0.46 0.90 0.00 0.00 49 S 7.91 4.48 0.00 3.85 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 50 A 8.67 5.29 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 51 K 9.06 5.42 0.00 1.70 1.74 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.23 7.81 52 R 9.71 4.92 0.00 1.76 1.73 0.00 2.84 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.00 53 Q 8.94 4.85 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 54 L 8.42 4.61 0.00 1.68 1.55 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.41 4.08 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 0.59 0.00 0.00 0.91 0.00 0.00 56 S 8.71 4.70 0.00 4.00 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 57 G 7.56 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 0.00 0.00 0.00 58 I 8.67 4.80 1.82 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 1.11 0.65 0.28 0.00 0.00 59 K 8.65 5.06 0.00 1.66 1.57 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.27 7.81 60 Y 9.21 5.31 0.00 3.01 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 I 9.14 4.79 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.95 0.00 0.00 62 L 9.15 4.97 0.00 1.83 1.71 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.52 4.86 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 64 V 8.44 4.92 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 0.72 0.00 0.00 0.96 0.00 0.00 65 E 8.69 4.83 0.00 2.07 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 2.28 2.33 0.00 66 I 8.74 4.86 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.19 0.93 0.00 0.00 67 G 8.92 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 0.00 0.00 0.00 0.00 68 R 8.60 4.72 0.00 1.98 1.84 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 69 T 7.90 4.44 3.48 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 1.11 0.00 0.00 70 T 7.78 3.78 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 1.00 0.00 0.00 71 C 7.75 5.05 0.00 2.90 2.94 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 72 P 0.00 5.07 0.00 2.12 2.01 0.00 3.37 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 73 K 8.16 4.22 0.00 1.73 1.80 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.34 7.81 74 S 7.50 3.94 0.00 4.14 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 0.00 75 S 6.85 3.88 0.00 4.00 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 76 G 12.00 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 0.00 0.00 0.00 0.00 77 D 7.64 4.53 0.00 2.69 2.53 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 0.00 0.00 0.00 0.00 78 L 7.45 3.82 0.00 1.70 1.97 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.97 3.94 0.00 2.64 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 80 S 8.17 4.63 0.00 3.86 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 C 8.24 4.84 0.00 2.72 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 82 E 8.39 4.85 0.00 1.81 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 2.31 2.33 0.00 83 F 8.75 4.38 0.00 2.93 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 84 H 8.54 4.12 0.00 3.09 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.86 4.43 0.00 2.64 2.73 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 86 E 7.97 4.59 0.00 2.11 2.01 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 2.32 2.37 0.00 87 P 0.00 5.22 0.00 2.09 2.13 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 88 E 7.60 5.17 0.00 2.04 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 2.02 2.05 0.00 89 M 8.30 4.33 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.06 0.00 90 A 8.26 4.03 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 91 K 7.89 4.35 0.00 1.83 2.10 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.56 7.81 92 Y 7.63 4.36 0.00 2.80 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 T 8.25 4.33 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 94 T 8.19 5.09 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 1.25 0.00 0.00 95 C 9.00 5.43 0.00 2.18 2.26 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 96 T 8.00 5.25 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 1.33 0.00 0.00 97 F 8.55 5.48 0.00 3.10 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 98 V 8.96 5.20 2.42 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 1.44 0.00 0.00 1.01 0.00 0.00 99 V 8.42 4.81 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 1.12 0.00 0.00 1.16 0.00 0.00 100 Y 8.63 5.33 0.00 2.92 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 0.00 101 S 9.19 4.72 0.00 3.85 3.72 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 0.00 102 I 7.71 3.94 1.25 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.23 -0.30 0.00 0.00 103 P 0.00 4.05 0.00 2.25 2.29 0.00 3.21 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 2.11 2.01 0.00 104 W 7.75 4.59 0.00 3.37 3.38 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 0.00 105 L 7.79 4.63 0.00 1.49 1.49 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.22 3.81 0.00 2.69 2.89 0.00 0.00 6.65 8.22 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 0.00 107 Q 7.06 4.67 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 108 I 7.61 4.64 1.47 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.28 -0.01 0.00 0.00 109 K 8.76 4.73 0.00 1.78 1.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.18 7.81 110 L 8.48 4.97 0.00 1.83 1.76 1.09 0.91 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 0.00 111 L 9.38 4.33 0.00 1.79 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.16 4.79 0.00 2.05 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 2.32 2.34 0.00 113 S 8.68 5.68 0.00 4.60 4.07 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 0.00 114 K 8.21 4.58 0.00 1.86 1.69 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.45 7.81 115 C 8.71 5.16 0.00 2.94 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 0.00 116 Q 9.09 4.14 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00