NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4330 8.3349 115.4129 57.9258 64.5525 173.7694 2 K 4.1558 7.9878 119.1786 57.1802 33.2218 175.6964 3 T 4.2243 8.4427 117.3782 65.2673 70.8585 175.1928 4 N 4.3471 7.9614 120.4781 53.1934 39.7001 173.4716 5 P 4.2570 0.0000 0.0000 65.5015 31.4821 178.9784 6 R 3.8579 8.6195 117.4831 59.1439 30.0717 178.7183 7 L 3.9081 8.0377 119.5925 58.1099 42.2533 178.5801 8 S 4.0784 8.3358 113.3413 61.6090 62.2493 176.3799 9 S 4.0717 8.4922 117.9484 61.5292 62.5889 176.1056 10 L 3.8549 8.3660 123.3263 58.6144 41.7019 179.2438 11 I 3.7027 7.8710 119.0538 64.2728 37.0173 178.2589 12 A 4.0036 7.8103 121.2426 55.2031 18.2804 179.4969 13 D 4.2306 8.3237 117.5184 57.5377 40.7172 178.6794 14 L 3.8911 7.9705 118.5415 58.4297 41.8309 179.3978 15 K 4.0932 8.2453 118.2828 58.9115 31.9981 179.1482 16 S 3.5981 8.4187 113.3533 61.6720 62.2976 176.6042 17 A 4.2020 8.1036 122.6919 54.4743 18.3095 179.3116 18 A 4.4192 8.7237 121.0659 54.3755 18.5262 179.9523 19 R 4.0764 7.8621 115.6771 59.8595 30.6256 177.8984 20 S 4.0394 8.1588 113.8529 60.8604 62.9970 175.9483 21 S 4.3019 7.2135 115.9845 59.2208 63.8363 175.3845 22 G 3.9675 8.5731 108.5073 45.7619 0.0000 174.3704 23 G 3.5814 7.8034 109.6926 45.6135 0.0000 174.4910 24 A 4.6809 8.0352 122.6480 51.2303 21.2607 178.7772 25 V 3.5314 7.2604 109.3836 63.8983 31.5579 178.4238 26 W 4.9408 7.4820 118.4490 59.9874 28.6485 178.6354 27 G 3.6800 8.1750 104.8495 47.2027 0.0000 175.2178 28 D 4.3477 7.7770 120.8497 57.2849 41.2920 178.4532 29 V 3.6202 8.4478 119.0335 65.8057 31.5551 177.7140 30 A 4.0121 8.2990 120.6990 55.4408 18.0108 179.5190 31 E 3.9623 7.7185 115.3897 59.4757 29.9023 179.2904 32 R 4.0784 7.8110 118.8405 59.2753 29.9320 178.5586 33 L 3.8447 7.9271 118.1713 57.5985 41.6552 179.0151 34 E 4.1559 8.1679 117.6865 57.9262 29.5562 177.6922 35 K 4.2820 7.0960 117.3381 54.8731 33.1141 174.8289 36 P 4.2800 0.0000 0.0000 62.9407 32.0681 177.8606 37 R 3.4941 8.5887 120.0118 59.2070 30.1947 179.4328 38 R 3.9312 7.8813 113.3451 58.9217 29.4637 177.5349 39 T 4.1640 7.6081 107.1094 62.8561 69.3775 174.7472 40 H 4.3641 7.8180 119.3910 55.7619 29.4459 174.3802 41 A 4.3195 8.1889 123.5112 51.8422 19.7716 176.7042 42 E 4.7642 8.8148 121.2942 54.2919 31.6746 174.2023 43 V 4.4213 8.6413 124.1427 60.8801 34.2806 174.6178 44 N 5.7020 8.6097 124.1380 51.6174 40.1115 175.7775 45 L 4.0847 8.8836 121.4528 58.4581 41.4509 180.0299 46 G 3.8955 7.6158 103.7857 48.0735 0.0000 175.3700 47 R 4.1005 8.1918 120.3996 59.2493 30.2882 178.1876 48 I 3.7345 7.8750 119.1860 64.7150 36.9066 177.3918 49 E 3.9069 8.1576 118.5013 59.7194 29.4302 178.7678 50 R 3.8459 7.7215 117.1089 58.5103 30.1027 176.4010 51 Y 4.6832 7.6411 111.7851 57.2514 39.4954 174.9794 52 A 4.6184 8.0412 123.9403 51.2678 20.3063 176.9257 53 Q 4.5924 8.2053 115.7454 54.5834 31.3759 174.1469 54 E 3.8351 8.7804 120.9173 58.2868 30.0253 176.7852 55 D 4.4001 8.8962 119.1946 54.8219 38.4136 173.5084 56 E 4.6757 7.8003 119.7628 54.2465 31.7335 175.3365 57 T 4.1492 8.3146 124.2748 64.2291 69.8675 173.6454 58 V 4.3775 9.1780 127.6828 62.2824 33.1303 174.7855 59 V 4.7186 9.0228 129.4277 61.5151 33.1840 174.8154 60 V 4.9592 8.6985 130.1692 59.1154 32.4379 175.2616 61 P 4.8249 0.0000 0.0000 60.3230 29.4373 175.1418 62 G 4.2238 7.0040 117.9237 47.4961 0.0000 175.4653 63 K 5.0066 9.6348 127.5767 54.1421 35.8675 173.5642 64 V 4.8712 8.2242 125.2994 61.2744 33.7766 174.6377 65 L 4.9356 9.0587 127.5507 52.7200 44.8497 176.5814 66 G 3.9074 8.4964 107.1948 46.7703 0.0000 173.6749 67 S 4.4590 8.1890 117.7282 59.0061 64.2505 174.9300 68 G 4.1098 9.1274 109.6444 44.8690 0.0000 172.1705 69 V 4.3823 7.8598 117.1746 60.5828 33.7311 174.2058 70 L 4.8869 8.4462 127.5047 53.4599 44.2035 175.4446 71 Q 4.4909 10.7000 124.1120 56.9702 30.8446 176.8488 72 K 3.9683 8.2111 115.4231 57.0140 33.3059 176.8935 73 D 5.4266 8.4404 122.0648 52.5328 39.8872 175.3331 74 V 4.6452 7.2305 115.8855 60.1723 35.5263 175.9460 75 T 4.8552 8.3165 118.6787 62.2673 70.3527 173.7830 76 V 4.9503 8.7578 126.8305 61.0574 34.3888 174.2460 77 A 5.9117 9.6311 128.8387 49.4668 21.4570 174.6622 78 A 5.0671 8.1573 122.7573 49.2908 22.7154 176.3961 79 V 3.5957 8.5712 118.1725 66.0543 32.1926 175.9740 80 D 4.6320 7.2100 116.4757 53.3277 44.3788 174.3141 81 F 5.5521 8.8656 121.5676 55.2991 42.5964 175.1976 82 S 4.3342 9.1111 117.3113 58.1238 63.8825 175.5766 83 G 3.6786 8.8394 107.2003 48.3754 0.0000 176.1269 84 T 3.9782 7.9231 117.2605 66.0897 68.5434 176.7155 85 A 4.0009 8.0085 122.6829 55.3055 18.5622 179.3783 86 E 3.6426 8.1888 117.7785 59.4161 29.3493 179.2759 87 T 3.8590 7.4771 115.0034 66.5634 68.5048 176.8608 88 K 4.2829 8.3679 120.5954 59.1710 31.9673 179.6012 89 I 3.7230 7.8378 120.2932 64.2404 37.0865 177.7942 90 D 4.7146 7.7166 117.4020 56.4235 40.5898 178.3432 91 Q 4.1702 7.4470 118.6053 57.9284 29.0861 177.0330 92 V 4.5002 7.6219 109.9866 61.1076 34.4677 174.5136 93 G 4.6811 8.0958 111.3668 44.7564 0.0000 175.3076 94 E 4.8811 9.5760 127.3329 54.5813 33.2380 172.7084 95 A 4.6315 8.9477 129.8797 50.7489 19.8256 176.4812 96 V 4.6121 9.3726 123.4456 60.9224 35.2223 175.4081 97 S 4.7576 8.6203 120.6012 57.8102 64.0408 175.0860 98 L 3.8501 8.1660 123.6448 58.2315 41.8468 179.3885 99 E 3.8407 8.0423 118.1730 58.9448 29.3190 179.0450 100 Q 4.0149 7.8668 117.9386 58.5203 28.9059 177.9364 101 A 4.0054 7.9933 121.8724 55.5306 18.4705 179.6942 102 I 3.0103 7.4022 118.0541 64.1503 36.7716 178.1380 103 E 4.1214 7.3188 118.2387 58.9109 29.7467 177.9607 104 N 4.6593 8.4345 115.7189 54.8810 40.2274 175.4564 105 N 5.1509 8.3349 118.9730 51.5732 39.7100 172.8040 106 P 4.8156 0.0000 0.0000 64.6282 32.0701 178.1600 107 E 4.0953 8.5461 116.6800 56.3934 30.1717 176.3877 108 G 3.3921 7.8790 108.0330 46.4376 0.0000 172.9680 109 S 4.5889 7.9699 110.4966 57.4976 66.2938 174.3984 110 H 3.9897 8.4589 116.8546 56.8995 25.7198 174.1833 111 V 4.7674 7.1728 116.4333 59.7949 35.2186 176.5490 112 R 4.5362 9.0066 123.9417 54.4752 32.5720 174.4378 113 V 4.4878 8.4106 126.9371 62.5784 32.6204 175.0815 114 I 4.7654 8.7342 128.2940 59.3904 40.9822 175.9744 115 R 4.1729 8.3998 121.9596 56.4146 29.5053 174.8049 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 S 8.33 4.43 0.00 3.99 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 0.00 2 K 7.99 4.16 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.48 7.81 3 T 8.44 4.22 4.24 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 1.21 0.00 0.00 4 N 7.96 4.35 0.00 2.75 2.72 0.00 0.00 7.20 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 5 P 0.00 4.26 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.62 3.86 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 7 L 8.04 3.91 0.00 1.75 1.81 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.34 4.08 0.00 3.98 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 9 S 8.49 4.07 0.00 3.97 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 10 L 8.37 3.85 0.00 1.65 1.89 0.82 1.00 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 11 I 7.87 3.70 2.04 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 1.45 0.78 0.92 0.00 0.00 12 A 7.81 4.00 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 13 D 8.32 4.23 0.00 2.80 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 14 L 7.97 3.89 0.00 1.76 1.99 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.25 4.09 0.00 2.02 1.81 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 16 S 8.42 3.60 0.00 3.90 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 17 A 8.10 4.20 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.72 4.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.08 0.00 1.82 2.01 0.00 3.24 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 20 S 8.16 4.04 0.00 3.96 3.76 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 21 S 7.21 4.30 0.00 4.32 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 G 8.57 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 23 G 7.80 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 24 A 8.04 4.68 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 25 V 7.26 3.53 1.57 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 0.48 0.00 0.00 -0.58 0.00 0.00 26 W 7.48 4.94 0.00 3.34 3.23 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 27 G 8.17 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.78 4.35 0.00 2.98 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 29 V 8.45 3.62 2.39 0.00 0.00 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 1.19 0.00 0.00 30 A 8.30 4.01 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 31 E 7.72 3.96 0.00 2.12 2.04 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 2.36 2.47 0.00 32 R 7.81 4.08 0.00 1.88 2.05 0.00 3.35 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 33 L 7.93 3.84 0.00 1.77 1.67 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.17 4.16 0.00 2.20 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 2.36 2.36 0.00 35 K 7.10 4.28 0.00 2.07 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 P 0.00 4.28 0.00 2.14 1.97 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 37 R 8.59 3.49 0.00 1.79 1.91 0.00 3.11 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 38 R 7.88 3.93 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.61 4.16 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 1.21 0.00 0.00 40 H 7.82 4.36 0.00 3.30 3.26 0.00 5.67 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 41 A 8.19 4.32 1.24 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 0.00 0.00 42 E 8.81 4.76 0.00 1.81 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 0.00 2.20 2.27 0.00 43 V 8.64 4.42 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 0.86 0.00 0.00 0.94 0.00 0.00 44 N 8.61 5.70 0.00 2.82 3.03 0.00 0.00 7.58 6.74 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 45 L 8.88 4.08 0.00 1.70 1.78 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.62 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 0.00 0.00 0.00 47 R 8.19 4.10 0.00 1.98 2.10 0.00 3.20 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 1.89 1.92 0.00 48 I 7.87 3.73 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.97 0.00 0.00 49 E 8.16 3.91 0.00 1.97 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 0.00 2.43 2.34 0.00 50 R 7.72 3.85 0.00 1.71 1.64 0.00 2.43 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 51 Y 7.64 4.68 0.00 2.94 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 52 A 8.04 4.62 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 Q 8.21 4.59 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 54 E 8.78 3.84 0.00 1.98 1.97 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 2.54 2.38 0.00 55 D 8.90 4.40 0.00 2.84 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 56 E 7.80 4.68 0.00 1.93 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 0.00 2.23 2.29 0.00 57 T 8.31 4.15 4.34 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 1.36 0.00 0.00 58 V 9.18 4.38 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 1.03 0.00 0.00 0.99 0.00 0.00 59 V 9.02 4.72 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 1.05 0.00 0.00 1.20 0.00 0.00 60 V 8.70 4.96 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 1.18 0.00 0.00 0.97 0.00 0.00 61 P 0.00 4.82 0.00 2.13 2.23 0.00 3.94 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 7.00 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 0.00 0.00 0.00 0.00 63 K 9.63 5.01 0.00 1.68 1.56 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.36 7.81 64 V 8.22 4.87 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 1.18 0.00 0.00 0.77 0.00 0.00 65 L 9.06 4.94 0.00 1.86 1.53 0.93 0.74 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 66 G 8.50 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 0.00 0.00 0.00 67 S 8.19 4.46 0.00 3.95 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 68 G 9.13 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.86 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.45 4.89 0.00 1.60 1.51 1.01 0.72 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 71 Q 10.70 4.49 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.21 3.97 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.44 5.43 0.00 2.79 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 74 V 7.23 4.65 2.12 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 0.77 0.00 0.00 0.97 0.00 0.00 75 T 8.32 4.86 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 1.27 0.00 0.00 76 V 8.76 4.95 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 1.16 0.00 0.00 1.03 0.00 0.00 77 A 9.63 5.91 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 78 A 8.16 5.07 0.48 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 79 V 8.57 3.60 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 0.68 0.00 0.00 0.85 0.00 0.00 80 D 7.21 4.63 0.00 2.76 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 0.00 0.00 0.00 0.00 81 F 8.87 5.55 0.00 2.82 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 82 S 9.11 4.33 0.00 3.93 4.05 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 0.00 0.00 0.00 0.00 83 G 8.84 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.92 3.98 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 1.23 0.00 0.00 85 A 8.01 4.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.64 0.00 1.90 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 0.00 2.15 1.98 0.00 87 T 7.48 3.86 4.43 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 1.20 0.00 0.00 88 K 8.37 4.28 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 89 I 7.84 3.72 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 0.88 0.00 0.00 90 D 7.72 4.71 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 91 Q 7.45 4.17 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 92 V 7.62 4.50 2.24 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 0.80 0.00 0.00 0.98 0.00 0.00 93 G 8.10 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.58 4.88 0.00 2.03 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 0.00 2.17 2.23 0.00 95 A 8.95 4.63 0.56 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 0.00 0.00 96 V 9.37 4.61 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 1.03 0.00 0.00 0.95 0.00 0.00 97 S 8.62 4.76 0.00 4.10 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 98 L 8.17 3.85 0.00 1.83 1.56 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.04 3.84 0.00 2.04 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 2.35 2.37 0.00 100 Q 7.87 4.01 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.99 4.01 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 0.00 102 I 7.40 3.01 1.69 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.38 0.69 0.00 0.00 103 E 7.32 4.12 0.00 2.03 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 0.00 2.29 2.33 0.00 104 N 8.43 4.66 0.00 2.74 2.89 0.00 0.00 6.76 7.54 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 0.00 105 N 8.33 5.15 0.00 2.86 2.98 0.00 0.00 6.78 7.31 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 0.00 106 P 0.00 4.82 0.00 2.32 2.32 0.00 3.51 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.55 4.10 0.00 2.13 2.04 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 2.34 2.39 0.00 108 G 7.88 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.97 4.59 0.00 4.00 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 0.00 110 H 8.46 3.99 0.00 3.33 3.34 0.00 5.56 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 0.00 111 V 7.17 4.77 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 0.47 0.00 0.00 0.89 0.00 0.00 112 R 9.01 4.54 0.00 2.21 1.82 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 113 V 8.41 4.49 2.04 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 0.87 0.00 0.00 0.89 0.00 0.00 114 I 8.73 4.77 1.91 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 1.49 1.43 0.97 0.00 0.00 115 R 8.40 4.17 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00