NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1620 8.1727 122.0476 56.2671 34.0864 173.9393 2 V 4.6168 8.1587 127.2085 60.6528 32.4737 174.5150 3 F 4.2690 9.9884 128.9758 57.5832 40.1826 174.8860 4 E 4.2383 8.7096 120.9527 55.5399 31.0261 176.7806 5 R 3.2369 8.9355 120.6015 60.8485 29.9419 179.4236 6 C 4.3301 8.0002 115.3056 59.6977 38.1719 175.7985 7 E 3.8929 8.0694 120.7320 59.2083 29.2729 178.4469 8 L 3.6598 7.9421 120.1743 57.8402 42.0444 178.7003 9 A 3.9421 7.7607 120.7393 55.4078 18.3732 179.9269 10 R 3.9180 8.0391 116.4856 59.4531 30.0916 179.5296 11 T 3.8368 7.8854 115.6668 66.6705 68.5505 176.7124 12 L 3.8563 8.0778 121.2406 57.5503 41.5736 179.5373 13 K 3.9071 8.0394 119.6267 59.5621 31.9469 178.9107 14 R 3.9589 7.8243 117.7954 58.9688 30.0285 177.4904 15 L 4.3568 7.4821 116.3692 54.1012 41.7821 176.7791 16 G 3.8224 7.8182 106.8923 47.0389 0.0000 175.0354 17 M 3.9339 7.7530 120.6651 56.0470 32.5259 175.6871 18 D 4.3170 7.9965 117.6180 56.1233 40.9602 175.6714 19 G 3.9349 9.3827 115.5602 45.4157 0.0000 171.1530 20 Y 4.2101 8.2717 121.9544 58.6011 38.8549 176.3694 21 R 3.6722 8.9776 127.0336 57.3248 27.7127 177.3061 22 G 3.8078 8.1629 103.5112 45.6752 0.0000 174.0047 23 I 4.0943 7.5450 121.9474 59.0467 38.0943 175.8713 24 S 4.6461 8.3174 120.3460 57.6768 64.0277 174.8531 25 L 4.2128 8.8170 123.1030 58.7013 41.7574 179.4794 26 A 4.1985 8.1628 119.9216 55.0973 18.2275 179.2727 27 N 4.4550 8.2615 115.3592 56.3159 38.5515 177.6432 28 W 4.2514 8.0785 119.9119 60.0362 29.0984 178.3448 29 M 4.2008 8.4757 118.7675 58.5100 31.4987 177.9650 30 C 3.2040 8.1487 118.6255 59.0978 43.9750 175.3225 31 L 3.9737 8.2533 121.8237 58.2702 41.7684 178.7006 32 A 4.1228 8.4835 121.0130 55.0396 18.2853 179.3904 33 K 2.8537 8.2328 118.2119 59.3646 32.0068 179.0745 34 W 4.1988 7.5752 117.1781 59.2213 29.0716 178.3529 35 E 4.3272 8.3970 118.7159 58.5848 29.2952 177.7229 36 S 4.5108 7.8797 109.5614 56.5185 64.5172 174.5128 37 G 3.4375 8.1690 108.8431 46.8779 0.0000 173.4238 38 Y 3.5863 7.5786 113.5542 58.6086 35.5478 168.9213 39 N 5.0997 7.6363 119.7008 51.9442 39.0446 175.2469 40 A 4.2064 8.9494 129.6478 53.9033 19.4669 178.4409 41 R 4.7086 8.0221 110.2777 55.9475 30.4256 176.8284 42 A 4.3994 7.9949 122.4598 52.7541 19.4466 177.3757 43 T 5.0611 8.2693 110.1392 60.2417 72.5415 172.9832 44 N 4.8857 8.7129 121.8241 52.5664 42.2973 172.3202 45 Y 4.7142 8.7741 127.7514 57.0167 40.9232 173.9065 46 N 4.4894 8.5053 124.9535 51.2153 38.4770 175.2411 47 A 3.5997 8.3111 127.1761 54.9143 18.8976 179.0930 48 G 3.8553 8.1585 103.6591 48.2672 0.0000 173.7996 49 D 4.7377 7.6994 116.3845 51.9769 39.9968 176.3306 50 R 3.8204 8.1494 116.4881 56.9908 28.1354 175.7965 51 S 4.9804 7.2439 109.1277 56.9812 66.4885 172.7183 52 T 5.1002 8.7699 115.9295 61.9513 72.6449 172.7697 53 D 5.4193 9.0235 125.1966 53.2025 43.2069 175.1171 54 Y 5.0566 9.1568 120.8795 57.4251 41.8802 177.4164 55 G 4.3462 9.1852 112.1565 45.8455 0.0000 173.4756 56 I 3.6303 8.2535 116.8457 62.9011 37.8252 177.2648 57 F 4.6729 7.9277 115.3691 56.4100 39.8590 175.3384 58 Q 3.6110 7.9400 119.1123 57.1412 26.4546 173.8473 59 I 4.4175 8.2596 119.2216 61.0172 39.3626 176.8138 60 N 5.3682 9.2439 126.1476 53.4473 39.7611 175.7281 61 S 4.5690 9.1892 120.6935 60.7591 63.3439 175.4513 62 R 3.7643 8.7169 122.4034 58.7047 30.2712 177.6937 63 Y 4.3466 7.6162 114.3905 57.4407 40.6575 176.9103 64 W 4.9043 8.0415 118.7034 57.7192 31.1485 174.0182 65 C 5.6669 8.1799 111.2408 53.6274 45.2703 172.8700 66 N 5.0141 9.0116 119.2989 52.1149 40.3087 174.8091 67 D 4.8538 8.6724 123.5390 52.2491 40.4899 178.1842 68 G 4.0696 8.3561 108.5421 46.1035 0.0000 174.7772 69 K 4.3852 7.8881 115.9527 56.7475 33.3241 176.1545 70 T 4.5025 7.4749 116.5435 61.7232 69.0887 173.0363 71 P 4.2254 0.0000 0.0000 64.0209 31.9379 176.4349 72 G 3.9097 8.5411 110.5933 46.4208 0.0000 172.6532 73 A 4.5918 7.6992 118.5340 50.6170 21.1610 177.2844 74 V 4.3455 8.4608 112.2007 59.2612 35.6691 176.1491 75 N 4.9062 8.0062 117.1318 51.8224 37.6028 174.2717 76 A 3.9589 8.8364 125.3947 55.2363 19.0936 178.7904 77 C 4.5031 8.5654 111.0644 57.7970 41.0824 173.1001 78 H 4.0316 7.8363 116.3642 56.4935 26.1625 174.1541 79 L 4.8012 8.3884 118.1863 52.9071 46.5638 176.6779 80 S 4.6368 8.3744 115.5467 58.0487 63.2622 176.0213 81 C 4.1257 8.7699 124.2007 59.4613 40.7567 176.3447 82 S 3.9274 7.8091 114.8291 61.3044 61.6777 175.9261 83 A 4.0815 7.7986 122.4007 54.5645 18.1345 177.9934 84 L 4.4007 7.7095 116.1102 55.2214 41.7870 177.7129 85 L 4.9914 7.8407 117.4972 54.4671 42.4587 176.8460 86 Q 4.3128 7.8189 117.8009 55.5674 29.3963 176.0709 87 D 4.3933 8.5591 120.1732 56.9872 41.1413 176.4307 88 N 4.6359 8.0313 118.0663 52.9205 38.9085 174.4720 89 I 4.2224 8.4218 119.3418 61.1119 37.9538 176.9575 90 A 3.9348 8.5687 125.3252 55.9751 18.1444 180.1939 91 D 4.2827 8.0663 116.4240 57.4807 40.9255 178.6650 92 A 4.0887 7.9981 120.8180 55.1287 18.3482 179.7384 93 V 3.4139 8.0598 116.6260 66.0982 31.4965 178.1689 94 A 3.8283 7.9942 120.5230 55.1969 18.1022 178.8129 95 C 4.2334 8.4279 116.9076 59.6244 39.1086 175.6367 96 A 3.8838 8.3210 122.8297 55.0005 17.6153 179.7646 97 K 3.8471 7.7353 116.5445 59.4201 32.2534 179.2572 98 R 4.0836 7.6082 119.2542 59.1843 30.1006 178.5812 99 V 2.2439 7.5015 118.1081 65.8100 30.9538 178.3562 100 V 3.7710 7.7180 110.7848 63.2106 31.2255 177.7091 101 R 4.1974 7.5292 117.0532 56.9002 30.4448 175.8993 102 D 4.7322 7.4828 118.6163 53.3296 42.0252 175.2959 103 P 4.1796 0.0000 0.0000 66.4020 30.9457 177.7034 104 Q 3.9850 8.2070 118.3432 56.2535 30.0024 178.0791 105 G 3.7890 7.8406 106.5106 47.0034 0.0000 176.2677 106 I 3.5750 7.7098 120.6366 63.2940 37.9828 177.8633 107 R 4.2635 7.2108 118.0706 57.9739 29.9530 177.5288 108 A 3.9148 7.6115 120.5888 53.9414 18.7004 177.4573 109 W 4.8047 8.0668 116.8347 55.1937 30.3326 177.3685 110 V 3.7187 8.7910 123.5085 66.0900 30.9199 177.6091 111 A 4.0564 8.3122 120.0633 54.8742 18.0813 179.2653 112 W 3.9635 8.4135 126.8203 60.6643 30.5844 178.4309 113 R 3.6834 8.1852 116.3753 59.3158 29.6566 178.3808 114 N 4.4056 8.0515 115.3066 55.3257 38.6873 176.1722 115 R 4.1939 7.6349 112.4575 55.6372 30.8610 174.9429 116 C 4.5177 7.3219 115.0126 58.3507 42.5731 174.1555 117 Q 3.2848 6.4547 119.3603 57.4138 28.6293 175.7079 118 N 4.1647 8.6355 120.7514 54.4139 36.2043 173.6662 119 R 4.5223 7.4348 114.7219 54.1398 33.4824 175.5539 120 D 4.5939 8.4060 118.6484 53.8309 39.9526 175.5458 121 V 4.5956 8.1363 118.4442 61.4116 32.2612 178.6637 122 R 4.0593 7.9317 121.9030 59.1421 29.7133 178.5848 123 Q 3.9535 8.1959 117.2145 59.8363 27.9014 178.6808 124 Y 4.2461 7.6084 117.4330 59.8877 38.2776 177.0427 125 V 4.3939 7.8920 110.7244 60.6255 33.0686 175.4675 126 Q 4.1634 7.5288 120.0252 57.4151 28.7270 177.1408 127 G 3.9487 8.9216 110.3363 46.0414 0.0000 174.5387 128 C 4.4005 8.0838 116.0173 56.9683 40.5895 174.3533 129 G 3.8712 8.1946 107.2372 46.3577 0.0000 174.0760 130 V 3.9899 7.8263 118.0544 61.0840 31.9233 175.8460 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 K 8.17 4.16 0.00 1.89 1.69 0.00 1.24 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.12 7.81 2 V 8.16 4.62 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 9.99 4.27 0.00 2.86 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 4 E 8.71 4.24 0.00 1.91 1.85 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 2.31 2.24 0.00 5 R 8.94 3.24 0.00 1.91 1.89 0.00 3.43 0.00 0.00 3.47 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.00 4.33 0.00 2.99 3.11 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 7 E 8.07 3.89 0.00 2.05 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 0.00 2.54 2.41 0.00 8 L 7.94 3.66 0.00 1.48 1.44 0.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.76 3.94 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.04 3.92 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.89 3.84 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 1.17 0.00 0.00 12 L 8.08 3.86 0.00 1.73 1.59 0.96 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.04 3.91 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.82 3.96 0.00 2.05 1.99 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.48 4.36 0.00 1.67 1.55 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.82 3.82 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 0.00 0.00 0.00 17 M 7.75 3.93 0.00 1.29 1.93 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 18 D 8.00 4.32 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 19 G 9.38 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.27 4.21 0.00 3.34 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 21 R 8.98 3.67 0.00 1.88 1.83 0.00 3.20 0.00 0.00 2.92 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 22 G 8.16 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 0.00 0.00 0.00 23 I 7.54 4.09 1.77 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 0.84 0.60 -0.23 0.00 0.00 24 S 8.32 4.65 0.00 4.07 4.03 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 25 L 8.82 4.21 0.00 2.07 1.82 0.98 1.19 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 26 A 8.16 4.20 1.53 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 0.00 0.00 27 N 8.26 4.45 0.00 2.86 2.75 0.00 0.00 6.89 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 28 W 8.08 4.25 0.00 3.56 3.11 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 29 M 8.48 4.20 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.92 0.00 30 C 8.15 3.20 0.00 2.64 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 31 L 8.25 3.97 0.00 1.76 1.86 0.62 0.05 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 32 A 8.48 4.12 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 33 K 8.23 2.85 0.00 1.52 1.74 0.00 0.69 0.00 0.00 1.18 0.00 0.00 2.56 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.09 0.21 7.81 34 W 7.58 4.20 0.00 3.35 3.27 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 35 E 8.40 4.33 0.00 2.00 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 0.00 2.54 2.35 0.00 36 S 7.88 4.51 0.00 4.06 4.17 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 37 G 8.17 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.58 3.59 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.64 5.10 0.00 2.68 2.81 0.00 0.00 7.13 8.59 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 40 A 8.95 4.21 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 41 R 8.02 4.71 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 42 A 7.99 4.40 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.27 5.06 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 1.31 0.00 0.00 44 N 8.71 4.89 0.00 3.04 2.66 0.00 0.00 6.88 7.67 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 45 Y 8.77 4.71 0.00 3.05 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 46 N 8.51 4.49 0.00 2.65 2.60 0.00 0.00 6.55 6.79 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 47 A 8.31 3.60 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 48 G 8.16 3.86 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 0.00 0.00 0.00 49 D 7.70 4.74 0.00 2.75 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 50 R 8.15 3.82 0.00 2.02 2.18 0.00 3.11 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.24 4.98 0.00 3.83 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 52 T 8.77 5.10 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 0.63 0.00 0.00 53 D 9.02 5.42 0.00 2.65 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 54 Y 9.16 5.06 0.00 3.00 2.88 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 55 G 9.19 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 3.63 1.67 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 0.99 1.64 0.11 0.00 0.00 57 F 7.93 4.67 0.00 3.19 2.92 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 58 Q 7.94 3.61 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 59 I 8.26 4.42 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 1.15 0.00 0.00 60 N 9.24 5.37 0.00 3.10 3.07 0.00 0.00 6.97 7.14 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 61 S 9.19 4.57 0.00 4.05 4.37 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 62 R 8.72 3.76 0.00 1.52 1.05 0.00 2.54 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 63 Y 7.62 4.35 0.00 1.43 1.91 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 64 W 8.04 4.90 0.00 3.45 3.28 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 65 C 8.18 5.67 0.00 3.09 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 66 N 9.01 5.01 0.00 2.83 2.70 0.00 0.00 7.07 8.90 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 67 D 8.67 4.85 0.00 2.97 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 68 G 8.36 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 0.00 0.00 0.00 69 K 7.89 4.39 0.00 1.93 1.94 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 70 T 7.47 4.50 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 1.16 0.00 0.00 71 P 0.00 4.23 0.00 2.02 1.98 0.00 3.82 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 2.03 2.10 0.00 72 G 8.54 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 73 A 7.70 4.59 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 74 V 8.46 4.35 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 0.63 0.00 0.00 0.84 0.00 0.00 75 N 8.01 4.91 0.00 2.74 2.56 0.00 0.00 6.76 8.10 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 76 A 8.84 3.96 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 77 C 8.57 4.50 0.00 3.28 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 78 H 7.84 4.03 0.00 3.32 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.39 4.80 0.00 1.67 1.49 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.37 4.64 0.00 3.83 3.69 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 81 C 8.77 4.13 0.00 2.26 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 82 S 7.81 3.93 0.00 3.89 3.83 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 83 A 7.80 4.08 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 84 L 7.71 4.40 0.00 1.93 1.81 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.84 4.99 0.00 1.79 1.73 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.82 4.31 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 87 D 8.56 4.39 0.00 2.65 2.67 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 88 N 8.03 4.64 0.00 2.70 2.76 0.00 0.00 6.97 7.94 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 89 I 8.42 4.22 1.75 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.42 0.88 0.00 0.00 90 A 8.57 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.28 0.00 2.71 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 92 A 8.00 4.09 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 93 V 8.06 3.41 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 0.79 0.00 0.00 0.88 0.00 0.00 94 A 7.99 3.83 1.34 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 0.00 0.00 95 C 8.43 4.23 0.00 3.14 3.28 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 96 A 8.32 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.74 3.85 0.00 1.63 1.43 0.00 1.28 0.00 0.00 0.79 0.00 0.00 2.25 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.94 7.81 98 R 7.61 4.08 0.00 1.93 2.15 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 99 V 7.50 2.24 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 -0.33 0.00 0.00 -0.50 0.00 0.00 100 V 7.72 3.77 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 1.11 0.00 0.00 1.41 0.00 0.00 101 R 7.53 4.20 0.00 2.15 2.06 0.00 3.33 0.00 0.00 3.29 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 102 D 7.48 4.73 0.00 3.17 2.58 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 0.00 103 P 0.00 4.18 0.00 2.14 2.20 0.00 3.79 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 1.97 2.01 0.00 104 Q 8.21 3.99 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 105 G 7.84 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 0.00 106 I 7.71 3.57 0.98 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 -0.53 0.00 0.00 107 R 7.21 4.26 0.00 2.02 2.04 0.00 3.24 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.60 0.00 108 A 7.61 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.07 4.80 0.00 3.48 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 0.00 110 V 8.79 3.72 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.06 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 0.00 112 W 8.41 3.96 0.00 3.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.68 0.00 2.09 1.98 0.00 3.55 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.10 0.00 114 N 8.05 4.41 0.00 2.68 2.70 0.00 0.00 6.87 6.98 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 0.00 115 R 7.63 4.19 0.00 0.77 1.02 0.00 2.75 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.00 116 C 7.32 4.52 0.00 1.76 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 0.00 117 Q 6.45 3.28 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 118 N 8.64 4.16 0.00 2.78 2.81 0.00 0.00 6.85 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 0.00 119 R 7.43 4.52 0.00 1.85 1.80 0.00 3.21 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 120 D 8.41 4.59 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.14 4.60 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 1.04 0.00 0.00 1.06 0.00 0.00 122 R 7.93 4.06 0.00 2.01 2.01 0.00 3.29 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.20 3.95 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.06 1.38 0.00 124 Y 7.61 4.25 0.00 3.16 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 0.00 125 V 7.89 4.39 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 1.02 0.00 0.00 1.06 0.00 0.00 126 Q 7.53 4.16 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 127 G 8.92 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 0.00 0.00 0.00 128 C 8.08 4.40 0.00 3.10 3.14 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 0.00 129 G 8.19 3.87 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 0.00 0.00 0.00 130 V 7.83 3.99 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 0.75 0.00 0.00 0.96 0.00 0.00