NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4101 8.3049 120.3364 55.6122 34.3770 176.5345 2 E 3.8380 8.0202 120.4570 58.7916 30.4288 176.5230 3 A 4.3383 8.2224 119.7764 51.7170 20.4676 177.7014 4 G 4.0064 8.9430 109.8953 45.3721 0.0000 171.8912 5 A 5.4257 8.3845 120.4467 50.2005 21.6083 176.0881 6 V 4.6485 9.0457 114.0804 59.8840 36.9243 173.7385 7 N 5.3526 9.1372 119.6067 50.4952 42.6320 174.6339 8 D 4.2093 8.8852 120.4638 58.2820 41.2293 177.4682 9 D 4.3504 8.6028 118.3581 57.8133 41.0013 178.1562 10 T 3.8599 7.8595 109.5816 64.5970 68.9195 175.8162 11 F 3.9299 8.7301 124.0060 61.3579 39.2577 177.1316 12 K 3.9245 7.9388 117.9016 60.1070 31.6921 178.5365 13 N 4.3727 7.9627 114.3685 56.1145 38.9277 177.4060 14 V 3.6203 8.1514 119.9507 65.0658 31.7029 176.9259 15 V 3.5726 7.2544 115.4631 64.9505 32.8701 177.1783 16 L 4.0454 7.0295 118.7268 56.8990 42.0147 177.9469 17 E 4.3031 8.7472 121.9908 56.1878 29.3852 177.4882 18 S 4.5333 7.5262 112.8134 57.3214 64.5134 174.0355 19 S 4.2999 8.0381 117.2013 60.9164 63.7490 174.9223 20 V 4.0350 7.2513 115.7299 59.0407 32.8793 173.5816 21 P 4.6616 0.0000 0.0000 63.4477 32.7169 175.2989 22 V 4.8504 9.1918 119.7703 61.3959 35.7870 173.9605 23 L 5.1766 9.0541 127.7137 53.5540 44.9470 174.9522 24 V 4.7628 9.2206 128.1103 61.4955 33.4634 173.8989 25 D 5.2424 9.2764 128.9319 52.9218 42.3905 175.2633 26 F 4.9982 9.8756 126.9939 57.1759 40.0812 174.6864 27 W 5.0425 8.8208 121.6926 55.1469 32.0709 173.7527 28 A 3.0346 7.7922 116.9872 50.1740 20.8318 175.7852 29 P 4.3967 0.0000 0.0000 65.7103 31.2077 178.1338 30 W 4.3195 7.6457 114.2985 58.5162 28.4767 177.7758 31 C 4.6841 7.4401 120.2439 55.3430 39.9803 173.7481 32 G 3.9898 8.3981 111.7631 47.0602 0.0000 170.3759 33 P 4.3030 0.0000 0.0000 65.4837 31.2609 179.0270 34 C 4.2926 8.1819 115.8766 59.5594 39.9607 175.6848 35 R 3.9288 8.2229 119.6227 59.7166 29.7826 178.4010 36 I 3.8890 7.6143 111.1519 63.9188 37.7955 177.8558 37 I 3.8710 8.1673 121.6654 63.6632 36.8683 177.8282 38 A 3.8577 8.2954 122.4511 55.0845 18.0986 177.9926 39 P 4.1219 0.0000 0.0000 65.5226 31.3815 179.1019 40 V 3.9744 7.5124 118.0373 65.4620 31.5182 177.8569 41 V 3.5936 7.9856 118.3346 66.1469 31.1738 177.5353 42 D 4.2512 8.1572 117.7946 57.2918 41.0070 177.9886 43 E 3.9328 8.5659 118.6281 59.4979 29.4335 178.9816 44 I 4.0356 8.5421 122.3549 63.3826 37.2940 177.9782 45 A 4.1376 8.2295 121.7412 55.3133 17.9961 179.6094 46 G 3.7262 7.9898 102.8705 48.2471 0.0000 175.2998 47 E 3.9353 8.4606 121.2389 58.5255 29.3970 178.6013 48 Y 4.5659 7.8770 115.5614 57.1794 38.4609 175.9347 49 K 4.2165 7.5714 119.4970 58.1651 33.1392 176.1810 50 D 4.9468 8.8222 123.1550 55.4195 39.2108 176.2005 51 K 3.9883 8.1088 115.6952 58.8513 32.3527 176.9830 52 L 4.4071 7.5885 123.6127 53.3411 42.6969 176.4088 53 K 4.2860 9.1058 130.3885 55.9307 31.6936 174.5737 54 C 4.8789 8.3619 126.5806 58.9775 33.2007 171.9400 55 V 5.0542 9.0963 124.5261 61.6708 35.7752 173.2594 56 K 5.0957 8.8887 122.7128 54.5311 35.3147 175.2408 57 L 4.8178 9.0285 128.9763 53.7513 43.6062 175.1360 58 N 3.8963 8.7453 125.9944 53.4324 38.8599 175.7679 59 T 3.8507 8.3928 125.3760 66.5054 68.9044 175.9814 60 D 4.5122 7.8879 119.8922 57.0613 41.4173 176.7121 61 E 4.1315 8.6377 119.1375 57.7680 30.4634 176.4966 62 S 4.8117 7.6977 114.8445 56.6810 63.3948 173.7671 63 P 4.3643 0.0000 0.0000 66.3502 31.3445 176.6595 64 N 4.1684 8.3651 115.5996 56.6021 38.2042 176.6482 65 V 3.5096 7.6214 117.9990 66.3338 31.7356 178.0060 66 A 4.3063 7.9337 119.9299 55.7804 17.9673 179.9174 67 S 4.1204 8.3601 112.3104 61.6233 63.0160 176.2340 68 E 4.0415 8.2738 120.6117 59.9426 29.3314 178.8776 69 Y 4.1219 8.2287 115.3360 58.4218 39.0536 175.7174 70 G 3.7422 8.4644 106.6302 45.7448 0.0000 174.0471 71 I 3.6528 7.5453 110.6111 61.1064 38.7150 177.4205 72 R 4.1104 8.2179 124.2454 55.7972 28.5436 176.8418 73 S 3.9146 7.8845 114.5633 57.5802 62.4363 169.9748 74 I 4.8476 8.0697 110.0624 58.3835 40.6024 172.8477 75 P 4.7620 0.0000 0.0000 62.9624 32.9483 175.5040 76 T 4.8806 8.3964 117.8985 62.3205 72.3416 172.5780 77 I 4.9001 8.9075 128.8029 60.3862 39.3188 175.0334 78 M 4.9750 9.4182 126.1589 53.4927 35.4743 174.5675 79 V 4.7536 8.6580 124.1734 61.5004 33.8384 174.4156 80 F 5.2376 9.5289 126.7475 55.1580 42.0806 175.9257 81 K 4.5385 8.4609 122.3570 56.6460 32.8413 176.7964 82 G 3.8022 8.5272 107.4321 47.9926 0.0000 172.9817 83 G 4.1196 8.4592 118.3435 45.2090 0.0000 173.7120 84 K 4.9200 7.3198 116.4015 53.0638 36.0785 175.8878 85 K 3.8533 8.3502 119.2815 56.8594 32.5291 175.7599 86 C 4.5772 8.6128 118.3346 60.5946 33.0762 173.5168 87 E 4.5815 7.4028 115.1228 55.2886 34.1516 173.3798 88 T 4.8832 7.8709 112.7873 61.4482 70.2548 172.4471 89 I 4.8475 8.9173 127.2413 59.6552 41.6664 174.3913 90 I 4.8932 8.2772 124.2162 60.7228 40.6567 176.5604 91 G 4.0088 9.2188 109.8636 45.3247 0.0000 172.9958 92 A 4.2691 8.1599 122.2777 51.7855 19.0820 177.7387 93 V 4.5566 7.9407 114.7748 57.8766 35.9819 174.0969 94 P 4.4102 0.0000 0.0000 62.1641 33.2005 177.3661 95 K 3.7730 8.7199 120.8211 60.0469 31.9277 178.4376 96 A 3.9952 8.1211 120.0529 55.7433 18.1200 179.6369 97 T 3.7544 7.7007 113.2470 66.8492 68.6198 176.5023 98 I 3.6067 7.9053 121.9112 64.5525 37.1752 178.2333 99 V 3.4330 8.2411 118.8286 66.3451 31.2810 177.9693 100 Q 3.8942 8.1002 117.3611 59.4198 28.3843 179.2383 101 T 3.4179 7.8071 115.5324 66.3692 68.6956 176.6144 102 V 3.6084 7.8942 120.3582 65.9997 31.6105 177.4158 103 E 3.7840 8.2181 118.8090 59.6654 29.2321 179.8508 104 K 4.1654 7.9475 117.3637 59.8719 32.4987 178.0500 105 Y 4.5223 7.7001 117.1798 59.9419 37.9031 176.8164 106 L 4.5155 7.6417 118.6277 56.1633 42.8788 175.9968 107 N 4.4455 8.5583 119.9647 53.3308 37.2763 173.9713 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 M 8.30 4.41 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 2 E 8.02 3.84 0.00 2.27 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 2.44 0.00 3 A 8.22 4.34 1.17 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 0.00 0.00 4 G 8.94 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 0.00 0.00 0.00 5 A 8.38 5.43 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 6 V 9.05 4.65 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 0.97 0.00 0.00 0.96 0.00 0.00 7 N 9.14 5.35 0.00 2.85 2.61 0.00 0.00 6.65 9.12 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 8 D 8.89 4.21 0.00 2.59 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 9 D 8.60 4.35 0.00 2.85 2.64 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 0.00 0.00 0.00 0.00 10 T 7.86 3.86 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 1.22 0.00 0.00 11 F 8.73 3.93 0.00 3.20 3.26 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 12 K 7.94 3.92 0.00 1.88 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.86 1.72 7.81 13 N 7.96 4.37 0.00 2.83 2.80 0.00 0.00 6.82 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 14 V 8.15 3.62 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 0.67 0.00 0.00 0.93 0.00 0.00 15 V 7.25 3.57 0.67 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 -1.12 0.00 0.00 0.48 0.00 0.00 16 L 7.03 4.05 0.00 1.88 1.60 1.16 1.18 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 17 E 8.75 4.30 0.00 1.96 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 2.34 2.33 0.00 18 S 7.53 4.53 0.00 4.05 3.89 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 19 S 8.04 4.30 0.00 3.99 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 20 V 7.25 4.04 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 0.79 0.00 0.00 0.98 0.00 0.00 21 P 0.00 4.66 0.00 2.20 2.11 0.00 3.74 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 2.14 2.13 0.00 22 V 9.19 4.85 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 0.83 0.00 0.00 0.90 0.00 0.00 23 L 9.05 5.18 0.00 1.75 1.54 0.95 0.88 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 24 V 9.22 4.76 2.50 0.00 0.00 0.00 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 0.87 0.00 0.00 25 D 9.28 5.24 0.00 2.89 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 26 F 9.88 5.00 0.00 3.04 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 27 W 8.82 5.04 0.00 3.36 3.34 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 0.00 28 A 7.79 3.03 -0.10 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 29 P 0.00 4.40 0.00 2.26 2.35 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 30 W 7.65 4.32 0.00 3.49 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 31 C 7.44 4.68 0.00 1.82 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 32 G 8.40 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 33 P 0.00 4.30 0.00 2.31 2.36 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 2.12 2.12 0.00 34 C 8.18 4.29 0.00 3.18 3.33 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 35 R 8.22 3.93 0.00 1.96 2.17 0.00 3.31 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 36 I 7.61 3.89 1.88 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 1.75 0.78 0.98 0.00 0.00 37 I 8.17 3.87 2.12 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 1.47 0.74 0.93 0.00 0.00 38 A 8.30 3.86 1.19 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 0.00 0.00 0.00 39 P 0.00 4.12 0.00 2.14 2.07 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 40 V 7.51 3.97 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 1.49 0.00 0.00 0.99 0.00 0.00 41 V 7.99 3.59 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 1.09 0.00 0.00 1.03 0.00 0.00 42 D 8.16 4.25 0.00 2.83 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 43 E 8.57 3.93 0.00 2.18 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 0.00 2.52 2.36 0.00 44 I 8.54 4.04 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 1.05 0.00 0.00 45 A 8.23 4.14 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 46 G 7.99 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 47 E 8.46 3.94 0.00 1.99 1.25 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 2.18 2.45 0.00 48 Y 7.88 4.57 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 49 K 7.57 4.22 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.41 7.81 50 D 8.82 4.95 0.00 2.88 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 51 K 8.11 3.99 0.00 1.82 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.46 7.81 52 L 7.59 4.41 0.00 1.72 1.83 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.11 4.29 0.00 1.94 1.67 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.50 7.81 54 C 8.36 4.88 0.00 3.10 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 55 V 9.10 5.05 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 0.85 0.00 0.00 0.97 0.00 0.00 56 K 8.89 5.10 0.00 1.66 1.29 0.00 1.03 0.00 0.00 1.30 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 1.26 7.81 57 L 9.03 4.82 0.00 1.50 0.99 0.79 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.75 3.90 0.00 2.81 2.75 0.00 0.00 6.41 7.88 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 59 T 8.39 3.85 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 1.36 0.00 0.00 60 D 7.89 4.51 0.00 2.58 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 61 E 8.64 4.13 0.00 1.94 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 2.29 2.26 0.00 62 S 7.70 4.81 0.00 3.78 3.60 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 63 P 0.00 4.36 0.00 2.27 2.33 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 64 N 8.37 4.17 0.00 2.77 2.97 0.00 0.00 7.20 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 65 V 7.62 3.51 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 0.88 0.00 0.00 0.42 0.00 0.00 66 A 7.93 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.36 4.12 0.00 3.95 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 68 E 8.27 4.04 0.00 1.98 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 2.28 2.44 0.00 69 Y 8.23 4.12 0.00 3.15 3.03 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 0.00 0.00 0.00 70 G 8.46 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.55 3.65 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.46 0.00 0.00 72 R 8.22 4.11 0.00 1.78 1.89 0.00 3.36 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 73 S 7.88 3.91 0.00 4.10 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 74 I 8.07 4.85 2.02 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 1.01 0.00 0.00 75 P 0.00 4.76 0.00 2.18 2.27 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 76 T 8.40 4.88 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 0.80 0.00 0.00 77 I 8.91 4.90 1.91 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 1.37 0.82 0.98 0.00 0.00 78 M 9.42 4.98 0.00 1.53 2.26 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 79 V 8.66 4.75 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 0.99 0.00 0.00 1.01 0.00 0.00 80 F 9.53 5.24 0.00 2.85 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 81 K 8.46 4.54 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.49 7.81 82 G 8.53 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 83 G 8.46 4.12 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 0.00 84 K 7.32 4.92 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 85 K 8.35 3.85 0.00 1.56 1.37 0.00 1.21 0.00 0.00 1.64 0.00 0.00 2.60 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.97 7.81 86 C 8.61 4.58 0.00 2.79 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 87 E 7.40 4.58 0.00 1.22 1.16 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 1.58 1.47 0.00 88 T 7.87 4.88 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 1.11 0.00 0.00 89 I 8.92 4.85 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.93 0.00 0.00 90 I 8.28 4.89 1.86 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 1.23 0.41 0.98 0.00 0.00 91 G 9.22 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 0.00 0.00 0.00 92 A 8.16 4.27 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 93 V 7.94 4.56 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 0.76 0.00 0.00 0.93 0.00 0.00 94 P 0.00 4.41 0.00 2.15 1.97 0.00 3.62 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 2.11 2.15 0.00 95 K 8.72 3.77 0.00 1.82 1.84 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.57 7.81 96 A 8.12 4.00 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 97 T 7.70 3.75 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 1.18 0.00 0.00 98 I 7.91 3.61 2.00 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 1.41 0.93 0.90 0.00 0.00 99 V 8.24 3.43 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 1.03 0.00 0.00 1.07 0.00 0.00 100 Q 8.10 3.89 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 101 T 7.81 3.42 4.23 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 0.94 0.00 0.00 102 V 7.89 3.61 1.95 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 0.82 0.00 0.00 0.93 0.00 0.00 103 E 8.22 3.78 0.00 2.06 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 2.09 2.43 0.00 104 K 7.95 4.17 0.00 1.79 1.85 0.00 0.88 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.31 7.81 105 Y 7.70 4.52 0.00 3.07 2.74 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 0.00 0.00 0.00 0.00 106 L 7.64 4.52 0.00 1.71 1.73 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.56 4.45 0.00 2.75 2.74 0.00 0.00 6.95 7.98 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