NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1252 8.0549 114.0566 61.2464 33.0408 174.3417 2 L 4.3349 8.0501 121.0934 51.5691 43.2675 175.9763 3 S 4.5560 9.4136 118.0328 57.6238 66.4118 174.8105 4 E 4.2723 8.8067 122.0023 59.4219 29.2344 178.9073 5 G 3.6355 8.0761 105.4278 47.7989 0.0000 175.4625 6 E 3.9637 8.1049 120.6025 58.9384 29.3616 179.4496 7 W 4.3732 8.2024 119.0785 59.6238 28.9765 178.2499 8 Q 4.0751 8.2600 119.5603 59.4564 28.0277 178.5309 9 L 4.0678 7.8299 119.5082 57.6596 41.5909 179.8788 10 V 3.7645 7.7410 117.7490 66.2745 31.7550 178.2757 11 L 4.2778 8.5463 119.0114 57.7299 40.5260 179.0052 12 H 4.2496 8.7434 119.2016 59.2926 29.7228 177.6588 13 V 3.8570 7.7280 119.7686 64.0540 31.5714 177.9985 14 W 3.9275 8.3118 128.6840 59.7183 30.2713 177.8198 15 A 4.0329 7.7430 119.9490 54.9280 17.5306 179.4067 16 K 3.9362 7.2809 117.6570 59.3810 32.0103 179.7810 17 V 2.8813 6.8885 118.7035 65.5450 31.0361 177.8690 18 E 3.8725 7.4633 116.6743 58.4912 29.3271 178.5760 19 A 4.1820 7.2795 119.1126 53.6729 19.8526 177.6334 20 D 4.6567 7.6228 116.2936 52.1258 42.9755 175.5298 21 V 3.5149 7.8478 123.3305 65.7300 32.0815 176.7965 22 A 4.0354 7.9523 120.0945 55.0089 18.2935 179.6958 23 G 3.5468 7.9454 105.1253 47.8379 0.0000 175.7395 24 H 4.1863 8.1457 118.8752 58.2216 28.6711 178.1702 25 G 3.5561 8.1998 107.7400 47.8871 0.0000 175.5975 26 Q 3.8775 8.1267 122.1263 58.7683 28.9971 177.9139 27 D 4.2758 7.8355 119.6224 57.2709 40.7878 178.8198 28 I 3.6289 7.7369 120.2255 64.4424 37.0703 178.5728 29 L 3.4574 7.4705 119.2759 57.5453 41.2315 179.7027 30 I 3.5933 7.5281 119.8312 64.0633 36.9061 178.3942 31 R 3.7756 7.9747 119.6728 59.2580 29.9300 178.1752 32 L 3.9361 7.7944 120.0909 58.4421 41.8468 179.0751 33 F 4.6122 7.8300 116.5173 60.4896 38.8560 177.6438 34 K 4.1502 8.1392 117.6369 59.4801 32.0359 179.1377 35 S 4.2792 8.1016 112.5338 60.1483 63.4232 173.7722 36 H 4.6265 8.1633 118.6958 51.7303 29.0846 171.5186 37 P 4.3340 0.0000 0.0000 65.4708 30.8983 177.3349 38 E 4.1440 8.1341 115.6103 58.9215 29.6593 178.9304 39 T 4.0628 8.1504 111.7107 64.3823 69.0354 176.5426 40 L 3.5134 7.7402 122.6370 57.8082 41.8321 178.5264 41 E 4.0374 7.5591 118.6114 58.9546 29.5703 178.6287 42 K 4.3640 7.8571 117.1963 57.3642 32.1922 176.7030 43 F 4.6209 7.9811 118.8490 55.7194 38.9616 176.2770 44 D 4.3726 8.6578 126.9713 57.2870 40.9735 178.5038 45 R 3.8214 7.8460 117.0178 58.4528 30.1973 177.3022 46 F 4.9698 7.4172 113.3318 56.8668 39.7665 176.8781 47 K 3.9511 7.8059 124.2189 59.4472 32.0099 177.7113 48 H 4.3922 8.2210 112.9782 57.3529 29.0012 175.2957 49 L 4.0040 7.5286 120.9112 54.9039 41.3430 176.5430 50 K 4.2683 9.3240 124.6415 57.2922 33.3180 177.4365 51 T 4.6035 7.6213 108.0193 59.5927 72.5894 174.8358 52 E 3.9118 8.4985 120.8826 59.0939 29.7256 178.3472 53 A 3.9660 7.9498 120.4334 55.3909 18.2924 179.2482 54 E 3.9438 8.1219 115.7141 59.7823 29.7010 179.3645 55 M 4.1778 7.7276 118.8200 58.4189 31.8553 179.0004 56 K 3.9682 8.0139 117.1701 59.1195 32.2957 178.6105 57 A 4.2804 7.7272 118.6698 52.0679 18.8162 177.0932 58 S 4.3887 7.4447 113.7432 57.2563 63.2289 174.5952 59 E 3.9802 8.8309 128.5218 59.2259 29.5252 178.1021 60 D 4.4018 8.1288 117.9037 57.1167 41.3916 177.7821 61 L 3.2558 7.8085 120.8175 57.7835 41.8930 178.9062 62 K 3.8826 7.7495 119.7415 59.2904 31.9815 178.7208 63 K 3.9795 8.2932 120.2640 59.7690 32.1328 178.3323 64 H 4.4487 8.6160 118.7532 58.9234 29.7798 177.4411 65 G 3.5663 7.9993 107.9412 47.6259 0.0000 175.8313 66 V 3.5997 7.5881 120.4861 66.1613 31.6576 178.2704 67 T 3.8860 7.5892 115.5903 66.5249 68.2368 176.8947 68 V 3.6108 7.8563 120.0709 66.1275 31.6781 178.2041 69 L 4.2831 8.0245 119.0638 57.9664 41.4327 179.6264 70 T 4.0465 8.3366 109.8788 64.8441 68.1896 176.5742 71 A 4.0358 7.9976 123.2566 54.6459 18.3006 179.4275 72 L 3.8252 8.1855 119.2126 58.0513 42.0668 179.3275 73 G 3.4281 8.7524 105.8991 47.7694 0.0000 175.4570 74 A 3.9873 7.7927 122.1516 54.7923 18.6257 179.6957 75 I 3.8004 7.2627 117.3780 64.5437 37.2190 178.4227 76 L 3.9592 7.8377 120.0953 57.9515 41.2544 179.8964 77 K 3.8988 7.8849 116.5582 58.6303 32.3537 178.7365 78 K 3.9715 7.9100 117.9640 55.9598 32.7390 176.5252 79 K 2.0000 8.3936 118.7132 56.5415 30.0214 173.7639 80 G 4.2047 8.0712 107.6543 46.6061 0.0000 174.2488 81 H 4.6634 7.4903 116.8303 55.4023 27.6000 175.2142 82 H 5.4375 7.6588 111.2890 54.5556 29.6956 176.4196 83 E 3.9573 8.4834 121.0249 60.4936 28.7121 178.9969 84 A 4.0605 7.9418 119.8102 54.3885 18.9400 178.7125 85 E 4.1898 8.1566 116.2616 58.2920 29.8584 178.3045 86 L 4.1619 8.2618 120.8108 56.9958 42.3936 178.2140 87 K 3.8280 7.9948 119.7593 59.3517 32.2110 176.8031 88 P 4.2694 0.0000 0.0000 65.4800 31.2457 178.3544 89 L 4.0146 7.9214 118.3800 58.2070 42.1674 178.7935 90 A 4.2084 8.0930 120.7605 55.1086 18.2957 179.5862 91 Q 3.8618 8.2345 116.8848 59.2187 28.8424 179.3555 92 S 4.0336 7.9839 115.0156 61.7602 63.1413 176.1748 93 H 4.3697 8.5280 119.4446 57.8281 28.1672 177.6427 94 A 2.9894 7.4287 122.2931 54.5026 18.5977 179.0428 95 T 3.7668 6.9390 107.4305 62.2246 69.4968 175.9601 96 K 4.0721 7.4291 120.9991 58.6004 32.8544 177.1030 97 H 4.3548 8.0932 114.4025 56.0387 29.3474 175.3855 98 K 3.7091 7.6275 116.5786 57.2614 28.6861 176.4129 99 I 4.2125 8.2166 120.0495 59.1228 38.0103 175.0631 100 P 4.5441 0.0000 0.0000 62.1235 32.3490 177.2887 101 I 3.4478 8.4079 120.7362 64.6505 36.7982 178.3912 102 K 3.6213 7.8555 119.7638 59.6995 31.8644 178.2773 103 Y 4.2809 7.9594 117.0133 61.0089 37.6973 178.3062 104 L 4.1563 7.8543 119.6712 57.5098 41.6652 179.2133 105 E 3.9522 7.8332 119.1196 59.1911 29.7951 178.5427 106 F 4.5138 7.8850 117.9737 60.8456 38.9952 177.5374 107 I 3.9134 8.2857 118.0020 63.8340 37.7318 178.1369 108 S 4.2271 7.9658 116.2382 61.5335 62.6376 176.3506 109 E 4.0912 8.4094 121.1869 59.2884 29.1907 179.2208 110 A 4.0786 8.0988 120.7579 55.0664 18.4152 179.8520 111 I 3.7107 7.7869 118.4997 64.6769 37.2606 178.7374 112 I 3.9138 7.9143 120.7359 64.4600 36.8767 178.1111 113 H 4.1726 8.3716 119.2600 59.3786 29.8078 177.5813 114 V 3.5774 7.8181 120.0979 65.9668 31.3334 177.9873 115 L 3.8410 7.9258 118.8225 57.7276 41.0304 178.9861 116 H 4.4539 7.8335 117.1360 59.4832 29.9408 177.2744 117 S 4.1773 7.8003 115.9136 61.4589 62.7272 176.3735 118 R 4.0772 7.7222 119.3489 57.5738 31.3047 176.7247 119 H 4.9737 8.0601 115.3646 53.3970 29.7093 172.1892 120 P 4.2736 0.0000 0.0000 65.7972 31.8074 179.8027 121 G 3.6004 8.2049 106.7789 47.7659 0.0000 173.6939 122 D 4.9589 7.8706 117.1722 53.8480 41.6277 176.8461 123 F 4.9220 7.8115 119.7563 56.0628 39.3159 173.8191 124 G 3.9230 7.5836 110.5619 43.0637 0.0000 171.7012 125 A 3.8587 8.4131 121.2516 55.4140 18.1220 179.2975 126 D 4.2233 8.0827 116.3970 56.8906 39.2885 178.6759 127 A 3.9670 7.8158 122.2910 54.4932 18.3564 179.4037 128 Q 3.2171 7.9132 118.7841 58.8673 29.0313 178.6986 129 G 3.5080 8.4504 106.9966 47.5932 0.0000 175.5640 130 A 3.8389 7.8149 123.2467 55.1120 18.4501 179.4129 131 M 4.0288 8.1408 116.7369 58.6480 32.3243 177.8716 132 N 4.3218 8.2489 117.2337 56.7803 39.0813 177.0259 133 K 4.0735 7.9667 119.5662 59.4220 32.1697 179.2719 134 A 3.8279 7.9543 121.0533 54.9177 18.2349 179.5622 135 L 4.1442 8.1146 117.3751 57.3820 41.7295 179.4954 136 E 3.9855 8.1622 119.0703 59.1907 29.4905 178.7315 137 L 3.9885 8.1990 120.6942 58.0824 42.2197 178.6700 138 F 4.1245 8.2105 120.2348 61.6490 39.2825 177.4098 139 R 3.5759 8.0673 117.5224 58.7252 29.8175 178.9327 140 K 3.8059 8.5288 119.7822 59.8302 32.0393 178.6839 141 D 4.3598 8.0467 118.9590 57.2102 40.5828 178.9637 142 I 3.5534 7.3564 119.8519 64.1405 36.9977 178.1727 143 A 3.6706 7.9699 121.7243 55.1271 18.0528 179.5634 144 A 3.9969 7.9139 119.1132 55.0162 18.3680 179.7814 145 K 4.0008 7.7624 118.2673 59.6145 32.3030 178.6920 146 Y 4.1083 8.4860 117.5767 60.8792 37.8181 178.4096 147 K 3.9185 8.5693 120.9189 59.5542 32.1107 178.0383 148 E 3.9372 7.7121 117.8171 59.6875 29.6077 178.7070 149 L 4.2890 7.8344 116.5844 55.7152 41.8846 177.5986 150 G 3.8499 8.2958 106.8249 46.4517 0.0000 173.5580 151 Y 4.3650 8.4539 115.8316 56.9486 39.4334 176.2493 152 Q 4.2544 8.2598 126.0293 56.4851 29.0709 175.7963 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 V 8.05 4.13 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 0.94 0.00 0.00 0.96 0.00 0.00 2 L 8.05 4.33 0.00 0.58 0.79 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.41 4.56 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.27 0.00 2.18 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 2.43 2.51 0.00 5 G 8.08 3.64 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 0.00 0.00 0.00 6 E 8.10 3.96 0.00 1.96 1.77 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 2.23 2.28 0.00 7 W 8.20 4.37 0.00 3.56 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 8 Q 8.26 4.08 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 9 L 7.83 4.07 0.00 1.91 1.77 0.91 1.27 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 10 V 7.74 3.76 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 1.21 0.00 0.00 0.90 0.00 0.00 11 L 8.55 4.28 0.00 1.85 1.81 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.74 4.25 0.00 3.40 3.41 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.73 3.86 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 1.04 0.00 0.00 0.83 0.00 0.00 14 W 8.31 3.93 0.00 3.67 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 15 A 7.74 4.03 1.39 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 16 K 7.28 3.94 0.00 1.64 1.60 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.65 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 V 6.89 2.88 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 0.00 0.00 -0.01 0.00 0.00 0.35 0.00 0.00 18 E 7.46 3.87 0.00 2.03 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 2.11 2.38 0.00 19 A 7.28 4.18 1.28 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 20 D 7.62 4.66 0.00 2.71 2.52 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 21 V 7.85 3.51 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 1.03 0.00 0.00 0.90 0.00 0.00 22 A 7.95 4.04 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 23 G 7.95 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.19 0.00 3.10 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.20 3.56 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 0.00 26 Q 8.13 3.88 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 D 7.84 4.28 0.00 2.77 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 28 I 7.74 3.63 1.86 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 1.51 0.60 0.88 0.00 0.00 29 L 7.47 3.46 0.00 1.28 0.84 0.73 0.81 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 30 I 7.53 3.59 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.87 0.00 0.00 31 R 7.97 3.78 0.00 1.98 2.05 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 32 L 7.79 3.94 0.00 1.77 1.47 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.83 4.61 0.00 2.96 2.95 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 34 K 8.14 4.15 0.00 1.69 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.57 7.81 35 S 8.10 4.28 0.00 3.77 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 36 H 8.16 4.63 0.00 2.96 3.03 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.33 0.00 2.14 2.12 0.00 3.53 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 2.09 2.14 0.00 38 E 8.13 4.14 0.00 2.26 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 2.13 2.49 0.00 39 T 8.15 4.06 4.48 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 0.94 0.00 0.00 40 L 7.74 3.51 0.00 1.51 1.81 -0.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.56 4.04 0.00 2.16 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 0.00 2.36 2.44 0.00 42 K 7.86 4.36 0.00 2.05 1.70 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.93 7.81 43 F 7.98 4.62 0.00 3.20 2.80 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 44 D 8.66 4.37 0.00 2.61 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 45 R 7.85 3.82 0.00 0.79 0.86 0.00 3.05 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 46 F 7.42 4.97 0.00 2.78 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 47 K 7.81 3.95 0.00 1.88 1.87 0.00 2.01 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 48 H 8.22 4.39 0.00 3.33 3.40 0.00 5.58 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.00 0.00 1.67 1.62 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.32 4.27 0.00 1.81 1.84 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 51 T 7.62 4.60 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 1.25 0.00 0.00 52 E 8.50 3.91 0.00 2.05 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 2.35 2.35 0.00 53 A 7.95 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 54 E 8.12 3.94 0.00 2.09 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 0.00 2.35 2.35 0.00 55 M 7.73 4.18 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 56 K 8.01 3.97 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.73 4.28 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 58 S 7.44 4.39 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.83 3.98 0.00 2.13 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 0.00 2.39 2.44 0.00 60 D 8.13 4.40 0.00 2.95 2.91 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 61 L 7.81 3.26 0.00 1.34 1.61 -0.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.75 3.88 0.00 1.78 1.96 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 63 K 8.29 3.98 0.00 1.96 2.07 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 H 8.62 4.45 0.00 3.63 3.51 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.00 3.57 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 0.00 66 V 7.59 3.60 2.27 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 1.11 0.00 0.00 0.98 0.00 0.00 67 T 7.59 3.89 4.38 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 1.29 0.00 0.00 68 V 7.86 3.61 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 1.08 0.00 0.00 0.98 0.00 0.00 69 L 8.02 4.28 0.00 1.79 1.84 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.34 4.05 4.30 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 1.33 0.00 0.00 71 A 8.00 4.04 1.48 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 72 L 8.19 3.83 0.00 1.76 1.81 0.20 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.75 3.43 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 0.00 74 A 7.79 3.99 1.37 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 0.00 0.00 75 I 7.26 3.80 1.94 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 1.55 0.78 0.93 0.00 0.00 76 L 7.84 3.96 0.00 1.27 1.52 -0.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.88 3.90 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.54 7.81 78 K 7.91 3.97 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.73 1.78 7.81 79 K 8.39 2.00 0.00 1.19 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.80 7.81 80 G 8.07 4.20 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 0.00 81 H 7.49 4.66 0.00 3.07 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.66 5.44 0.00 3.29 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.48 3.96 0.00 2.19 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 2.38 2.35 0.00 84 A 7.94 4.06 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 85 E 8.16 4.19 0.00 2.22 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 2.38 2.43 0.00 86 L 8.26 4.16 0.00 1.78 1.70 0.79 0.23 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 87 K 7.99 3.83 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 88 P 0.00 4.27 0.00 2.23 2.12 0.00 3.68 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 2.22 2.17 0.00 89 L 7.92 4.01 0.00 1.82 1.91 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.86 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 92 S 7.98 4.03 0.00 3.99 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 93 H 8.53 4.37 0.00 3.51 3.58 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.43 2.99 0.01 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 95 T 6.94 3.77 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 1.01 0.00 0.00 96 K 7.43 4.07 0.00 1.56 1.73 0.00 1.67 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.18 1.34 7.81 97 H 8.09 4.35 0.00 3.00 3.17 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.63 3.71 0.00 1.89 1.88 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.39 7.81 99 I 8.22 4.21 2.07 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 1.54 0.91 1.11 0.00 0.00 100 P 0.00 4.54 0.00 1.93 1.96 0.00 3.04 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.09 0.00 101 I 8.41 3.45 1.73 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.10 0.72 0.00 0.00 102 K 7.86 3.62 0.00 1.71 1.65 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 0.58 7.81 103 Y 7.96 4.28 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 104 L 7.85 4.16 0.00 1.88 1.82 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.83 3.95 0.00 1.91 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 2.40 2.39 0.00 106 F 7.88 4.51 0.00 3.25 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.29 3.91 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 1.08 0.00 0.00 108 S 7.97 4.23 0.00 4.15 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 0.00 109 E 8.41 4.09 0.00 2.33 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 0.00 2.43 2.66 0.00 110 A 8.10 4.08 1.44 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 0.00 111 I 7.79 3.71 2.08 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 1.58 1.18 1.05 0.00 0.00 112 I 7.91 3.91 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.22 1.13 0.00 0.00 113 H 8.37 4.17 0.00 3.44 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.82 3.58 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 7.93 3.84 0.00 0.76 0.57 0.72 0.55 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 0.00 116 H 7.83 4.45 0.00 3.50 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.18 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.72 4.08 0.00 1.60 1.46 0.00 2.72 0.00 0.00 2.64 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 119 H 8.06 4.97 0.00 3.13 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.27 0.00 2.20 2.23 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.20 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 0.00 0.00 0.00 122 D 7.87 4.96 0.00 2.71 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 0.00 123 F 7.81 4.92 0.00 2.92 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 0.00 124 G 7.58 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 0.00 0.00 0.00 125 A 8.41 3.86 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 0.00 126 D 8.08 4.22 0.00 2.91 2.91 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 0.00 127 A 7.82 3.97 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 0.00 128 Q 7.91 3.22 0.00 1.43 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 129 G 8.45 3.51 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 0.00 130 A 7.81 3.84 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 0.00 131 M 8.14 4.03 0.00 2.47 2.43 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 2.74 2.84 0.00 132 N 8.25 4.32 0.00 3.00 2.97 0.00 0.00 7.21 5.67 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 0.00 133 K 7.97 4.07 0.00 1.86 1.69 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.56 7.81 134 A 7.95 3.83 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 0.00 135 L 8.11 4.14 0.00 1.89 1.77 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.16 3.99 0.00 2.20 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 2.33 2.53 0.00 137 L 8.20 3.99 0.00 1.88 1.98 0.99 1.48 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 0.00 138 F 8.21 4.12 0.00 3.21 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 0.00 139 R 8.07 3.58 0.00 2.02 1.84 0.00 3.13 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 140 K 8.53 3.81 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.05 4.36 0.00 2.70 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 0.00 142 I 7.36 3.55 1.32 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.17 0.38 0.00 0.00 143 A 7.97 3.67 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 0.00 144 A 7.91 4.00 1.37 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 0.00 0.00 145 K 7.76 4.00 0.00 1.89 2.07 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.57 7.81 146 Y 8.49 4.11 0.00 3.15 3.04 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 0.00 147 K 8.57 3.92 0.00 1.96 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.71 3.94 0.00 2.10 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 2.35 2.39 0.00 149 L 7.83 4.29 0.00 1.95 1.92 0.85 1.08 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 0.00 150 G 8.30 3.85 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 0.00 151 Y 8.45 4.37 0.00 2.80 2.80 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 0.00 152 Q 8.26 4.25 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00