NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4636 8.3044 118.1953 55.1319 32.5662 174.3273 1 V 4.2681 7.9492 118.9827 60.7754 34.5165 173.4632 2 L 4.4388 8.3215 127.1339 53.7217 43.9422 176.6871 3 S 4.5833 8.4014 117.0448 57.5713 65.5093 175.1145 4 E 4.2914 8.8098 122.4923 59.3614 29.2645 179.0282 5 G 3.6366 8.0937 105.4061 47.8790 0.0000 175.3913 6 E 3.9094 8.1011 121.1656 58.8983 29.4538 179.4850 7 W 4.3100 8.1138 118.9501 59.9323 29.0913 178.6068 8 Q 4.2427 8.5911 118.2702 58.9026 27.9681 178.8363 9 L 4.0899 7.8726 119.8831 57.6010 41.6406 179.7229 10 V 3.7313 7.8979 118.2168 66.2391 31.7614 178.2286 11 L 4.3169 8.6615 118.7985 57.5127 40.9461 179.0793 12 H 4.2700 8.4615 119.1171 59.2842 29.9075 177.7074 13 V 3.4408 7.7970 121.1472 64.3998 31.3419 178.1474 14 W 3.9696 8.5009 128.9145 60.0643 30.2675 177.8165 15 A 4.0087 7.8195 119.9067 54.8335 18.0338 179.5209 16 K 3.9368 7.3082 116.9519 59.4849 32.1241 179.5981 17 V 2.8472 7.1495 118.4223 65.7891 31.0387 177.5932 18 E 3.9183 7.5595 115.8118 57.9907 29.3206 178.5041 19 A 4.2065 7.5465 120.6345 53.7714 19.7984 177.6468 20 D 4.6521 7.8243 116.7074 51.9601 42.6402 175.4552 21 V 3.4610 7.9768 123.2055 65.5148 32.0381 176.6686 22 A 4.0460 8.0152 120.0692 55.1917 18.2943 179.6682 23 G 3.6050 8.1684 105.4634 47.7951 0.0000 175.6868 24 H 4.1906 8.1992 118.7720 58.3670 28.6716 178.1423 25 G 3.5788 8.3274 107.8644 47.6412 0.0000 175.5140 26 Q 3.8461 7.9945 121.8203 59.1219 29.1758 177.8717 27 D 4.3245 7.9697 119.7871 57.5284 40.7929 179.1902 28 I 3.6354 7.7921 119.9403 64.3890 37.0756 178.5083 29 L 3.4121 7.7577 119.7365 57.6475 41.2812 179.7552 30 I 3.6931 7.6297 119.6898 64.2296 37.0134 178.4116 31 R 3.7730 7.8681 119.5867 59.1799 29.7957 178.2676 32 L 3.8805 7.8504 120.1361 58.3704 41.8281 179.0294 33 F 4.5558 7.9869 117.9510 60.5570 38.5447 177.9123 34 K 4.0415 8.1771 117.6297 59.4902 32.0388 179.3577 35 S 4.2702 8.0027 114.4844 60.3977 64.1975 174.5263 36 H 4.6752 8.3231 118.5283 51.7601 29.5070 171.6618 37 P 4.4757 0.0000 0.0000 64.6875 31.5192 177.5378 38 E 4.5118 8.4835 117.5147 59.0974 29.5686 179.1580 39 T 3.8811 8.1640 110.8646 64.5192 68.7242 176.2276 40 L 3.7774 7.9295 122.7353 57.8702 41.8578 178.7291 41 E 4.1250 8.2451 118.0522 58.9991 29.1199 179.0569 42 K 4.3968 8.1726 117.1425 57.1826 32.5155 176.8632 43 F 4.5092 8.1431 118.8375 55.5188 38.5833 176.1601 44 D 4.3816 8.4471 126.5600 56.9160 40.9387 178.6738 45 R 3.9168 7.7206 117.2407 57.9566 30.3521 177.0102 46 F 5.0049 7.4500 113.5347 56.5323 40.7160 176.6014 47 K 3.8072 8.3092 122.7781 59.8090 31.9138 177.2261 48 H 4.4016 8.2083 112.2604 57.2267 29.0254 175.4064 49 L 3.9984 7.5051 121.0956 55.2381 41.5658 176.9307 50 K 4.2571 9.4252 124.3197 57.7260 33.1352 177.3456 51 T 4.7339 7.4408 107.3835 58.8827 73.2346 174.2423 52 E 3.9193 8.6542 121.1134 59.3213 29.6609 178.6967 53 A 3.9992 7.9136 120.4479 55.2059 18.2884 179.3101 54 E 3.9407 7.8651 115.7261 59.6354 29.7837 179.2407 55 M 4.1389 7.9866 118.7531 58.4295 31.8575 178.9249 56 K 3.9223 8.2137 117.4157 59.3335 32.2954 178.7592 57 A 4.3201 7.7411 119.0450 52.5933 18.8714 177.3548 58 S 4.2088 7.5951 113.7900 57.7657 62.8369 174.4589 59 E 4.0119 8.8987 129.2294 59.3425 29.4430 178.2388 60 D 4.4972 8.1470 118.6437 57.2619 41.0272 178.2311 61 L 3.2435 7.9549 120.8231 57.8255 42.1265 178.9491 62 K 3.8994 7.8534 119.0374 59.4247 32.1420 178.9371 63 K 4.0294 8.2188 118.8210 59.8072 32.0138 178.8864 64 H 4.4675 8.7513 118.7087 58.9527 29.7035 177.5901 65 G 3.5713 8.1774 108.0077 47.6110 0.0000 175.9431 66 V 3.6044 7.7415 120.2826 66.0111 31.5975 178.2559 67 T 3.8819 7.8652 115.4639 66.6228 68.2469 176.8373 68 V 3.5960 7.8389 120.0010 66.1436 31.5563 178.1797 69 L 4.2014 8.2046 118.8175 58.0566 41.4210 179.7014 70 T 3.9939 8.2772 115.8469 66.4249 68.4679 176.7283 71 A 3.9942 8.0444 122.7607 55.0408 18.3766 179.4710 72 L 3.7514 8.2406 119.2235 58.0753 42.1186 179.3710 73 G 3.3735 8.5213 105.8370 47.7277 0.0000 175.5256 74 A 4.0243 7.7442 122.1298 54.7549 18.6227 179.6618 75 I 3.7741 7.4892 117.8552 64.5914 37.2772 178.5259 76 L 3.9518 7.7086 119.8834 57.8116 41.2084 179.6742 77 K 4.0106 7.6599 116.5834 58.3900 32.2623 178.8056 78 K 3.9546 7.8562 118.5593 56.1979 32.4269 176.7245 79 K 2.0000 8.2601 118.0352 56.4583 29.8732 175.4684 80 G 3.9666 7.9653 106.1184 45.8078 0.0000 174.3396 81 H 4.6959 7.3175 119.0742 55.0551 27.4045 174.7760 82 H 5.4708 7.5706 111.9740 54.2612 29.3379 176.3565 83 E 3.9751 8.5593 120.8822 60.3954 28.6456 179.0818 84 A 4.0338 7.8850 119.8403 54.8687 17.9546 179.0520 85 E 4.1061 8.1579 116.6160 59.3853 29.5319 179.3764 86 L 4.2310 8.1989 119.2863 57.3852 41.6118 179.2312 87 K 3.9275 7.8015 118.1319 59.2445 32.0816 177.5006 88 P 4.3212 0.0000 0.0000 65.6680 31.2337 178.1989 89 L 4.0006 7.5119 116.8422 58.0769 42.1079 178.8422 90 A 4.2126 8.4550 121.2286 55.0630 18.2147 179.4480 91 Q 3.8677 8.2096 118.4537 59.3647 29.1823 178.6458 92 S 3.9780 8.0614 115.3651 61.8326 63.0596 176.1365 93 H 4.3269 8.4743 119.4553 57.8141 28.3452 177.5699 94 A 2.7067 7.8379 122.6352 54.4263 18.3821 179.4255 95 T 3.8873 7.5027 112.5930 65.2475 69.0258 176.3296 96 K 4.0408 7.4549 120.1882 58.9930 32.7468 177.3758 97 H 4.2843 8.0831 114.9278 56.2490 29.3902 175.6111 98 K 3.4428 7.4205 116.6887 55.8885 28.6805 174.0821 99 I 4.3744 8.1119 118.8275 58.4979 39.0212 174.8269 100 P 4.6565 0.0000 0.0000 62.2636 32.2224 177.3004 101 I 3.6112 8.4613 120.9445 64.5374 36.7304 178.2062 102 K 3.6128 8.0493 119.9030 60.0906 31.8075 178.1604 103 Y 4.1053 7.9652 116.4423 60.8871 37.8653 178.3734 104 L 4.2093 8.0502 120.1323 57.5829 41.6575 179.3405 105 E 4.0441 7.9848 118.4198 59.2556 29.5452 178.9792 106 F 4.5060 7.6627 117.9850 60.8743 38.9844 177.6433 107 I 3.8781 8.0601 118.0002 63.8411 37.7373 178.1340 108 S 4.1864 8.0183 116.1212 61.5428 62.6733 176.1444 109 E 4.0262 8.4615 121.8191 59.2236 29.3923 178.7444 110 A 4.0315 8.0146 120.7897 55.1093 18.4048 179.7011 111 I 3.6931 8.0170 118.3854 64.6934 37.1736 178.7548 112 I 3.8197 7.9081 120.6433 64.5108 36.9234 177.9604 113 H 4.0948 8.4319 119.1078 59.3246 29.6650 177.5104 114 V 3.5256 7.8927 119.9256 65.9883 31.2811 177.9731 115 L 3.7477 7.8368 118.7795 57.8619 41.0717 178.9106 116 H 4.2758 7.8439 117.2810 59.3534 29.8527 177.3260 117 S 4.1429 7.7266 115.8273 61.7617 62.8553 176.5843 118 R 4.0346 7.8547 118.8696 57.6883 31.0478 176.4278 119 H 5.0354 8.2772 116.1068 53.6649 29.6986 172.9484 120 P 4.2977 0.0000 0.0000 66.0219 31.4120 179.1539 121 G 3.6981 8.1297 106.1363 47.3304 0.0000 173.6442 122 N 5.0241 8.2490 115.4364 52.9645 39.5359 174.7386 123 F 4.9340 7.8852 118.9258 56.4652 39.5235 174.2036 124 G 3.8996 7.6957 109.0682 43.8204 0.0000 172.1585 125 A 3.8886 8.4452 120.7096 55.4294 18.2177 179.6115 126 D 4.1861 7.9562 116.4092 57.5179 41.0236 178.7770 127 A 3.9400 7.7606 120.7367 55.0557 18.3130 179.3215 128 Q 3.1393 7.8477 118.5367 58.7626 29.0038 178.6015 129 G 3.4544 8.0864 106.7750 47.4973 0.0000 175.5884 130 A 3.8348 7.9132 123.1801 55.0544 18.3506 179.3939 131 M 3.9598 8.0199 116.6901 58.8320 32.2984 177.8827 132 N 4.2921 8.3791 117.4150 56.5589 39.0441 176.7115 133 K 3.8486 8.1503 120.8161 59.4090 32.2708 178.6767 134 A 3.8245 7.9963 121.1454 55.1147 18.1858 179.6730 135 L 4.0821 8.2230 117.7240 57.9030 41.6021 179.5553 136 E 3.9888 8.6250 119.1100 59.1338 29.3944 179.0590 137 L 3.9450 8.1597 120.5406 58.1217 42.1901 178.6555 138 F 4.1689 8.3968 120.5204 61.6311 39.2121 177.3700 139 R 3.5875 8.3928 117.8911 58.8584 29.8147 178.9934 140 K 3.8513 8.2667 119.7836 59.6372 32.2553 178.7137 141 D 4.3382 8.0982 119.1654 57.2943 40.6292 178.8560 142 I 3.4285 7.5189 120.2044 64.0405 37.0901 178.2783 143 A 3.8898 8.2262 123.0617 54.4729 18.2706 179.5424 144 A 3.9601 7.9458 119.2466 55.2757 18.3648 180.0744 145 K 4.0051 8.0341 116.9618 59.6627 32.0162 179.0427 146 Y 4.3306 8.3774 117.3590 61.1862 37.8552 178.8183 147 K 3.9724 8.1265 120.0156 59.6787 32.1123 178.6768 148 E 4.0376 7.9553 117.4555 59.2831 29.4875 178.7164 149 L 4.3082 8.0258 116.9123 55.1836 41.8540 177.6082 150 G 3.8452 8.1099 107.1786 46.0964 0.0000 173.0944 151 Y 4.3694 7.3881 117.3507 54.0990 41.7862 174.9230 152 Q 3.5748 8.0406 118.6108 56.9329 27.3406 174.3091 153 G 3.3429 8.1392 108.8041 45.1864 0.0000 171.2188 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.95 4.27 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 0.90 0.00 0.00 0.96 0.00 0.00 2 L 8.32 4.44 0.00 0.98 0.76 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.40 4.58 0.00 4.07 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 4 E 8.81 4.29 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.09 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 3.91 0.00 1.92 1.72 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 2.21 2.25 0.00 7 W 8.11 4.31 0.00 3.58 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 8 Q 8.59 4.24 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 9 L 7.87 4.09 0.00 1.85 1.73 0.88 1.22 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 10 V 7.90 3.73 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 1.19 0.00 0.00 0.90 0.00 0.00 11 L 8.66 4.32 0.00 1.82 1.82 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.27 0.00 3.45 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.44 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 1.04 0.00 0.00 0.92 0.00 0.00 14 W 8.50 3.97 0.00 3.66 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 15 A 7.82 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.94 0.00 1.35 1.64 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 17 V 7.15 2.85 1.04 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 -0.12 0.00 0.00 0.47 0.00 0.00 18 E 7.56 3.92 0.00 1.99 1.90 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 2.16 2.10 0.00 19 A 7.55 4.21 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 20 D 7.82 4.65 0.00 2.71 2.51 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 21 V 7.98 3.46 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 1.05 0.00 0.00 0.84 0.00 0.00 22 A 8.02 4.05 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 23 G 8.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.19 0.00 3.25 3.23 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 8.33 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 26 Q 7.99 3.85 0.00 2.29 2.12 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 2.29 2.33 0.00 27 D 7.97 4.32 0.00 2.80 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 28 I 7.79 3.64 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 1.51 0.66 0.88 0.00 0.00 29 L 7.76 3.41 0.00 1.42 1.12 0.79 0.42 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 30 I 7.63 3.69 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.66 0.88 0.00 0.00 31 R 7.87 3.77 0.00 1.90 2.13 0.00 3.02 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.85 3.88 0.00 1.69 1.37 1.03 1.09 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 33 F 7.99 4.56 0.00 3.01 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 34 K 8.18 4.04 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.72 7.81 35 S 8.00 4.27 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.68 0.00 2.97 2.76 0.00 5.64 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 37 P 0.00 4.48 0.00 2.15 2.12 0.00 3.83 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 2.09 2.23 0.00 38 E 8.48 4.51 0.00 2.32 2.30 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 2.29 2.37 0.00 39 T 8.16 3.88 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 0.87 0.00 0.00 40 L 7.93 3.78 0.00 1.52 1.80 -0.03 0.57 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 8.25 4.12 0.00 2.31 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 0.00 2.37 2.41 0.00 42 K 8.17 4.40 0.00 2.04 1.68 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.94 7.81 43 F 8.14 4.51 0.00 3.30 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 44 D 8.45 4.38 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.92 0.00 1.17 0.85 0.00 2.96 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 46 F 7.45 5.00 0.00 2.83 2.75 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 0.00 0.00 0.00 47 K 8.31 3.81 0.00 1.97 1.92 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 48 H 8.21 4.40 0.00 3.33 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.51 4.00 0.00 1.56 1.57 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.43 4.26 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.53 7.81 51 T 7.44 4.73 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 1.20 0.00 0.00 52 E 8.65 3.92 0.00 2.04 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 2.36 0.00 53 A 7.91 4.00 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 7.87 3.94 0.00 2.15 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 0.00 2.34 2.34 0.00 55 M 7.99 4.14 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 56 K 8.21 3.92 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 A 7.74 4.32 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 58 S 7.60 4.21 0.00 3.88 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 59 E 8.90 4.01 0.00 2.14 1.96 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 2.40 2.48 0.00 60 D 8.15 4.50 0.00 3.11 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 61 L 7.95 3.24 0.00 1.06 1.58 0.70 0.15 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 62 K 7.85 3.90 0.00 1.85 1.93 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.22 4.03 0.00 2.10 1.92 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.78 7.81 64 H 8.75 4.47 0.00 3.56 3.48 0.00 5.78 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 8.18 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 7.74 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.87 3.88 4.39 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 1.27 0.00 0.00 68 V 7.84 3.60 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 1.17 0.00 0.00 0.98 0.00 0.00 69 L 8.20 4.20 0.00 1.85 1.84 0.90 0.91 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 70 T 8.28 3.99 4.45 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 1.26 0.00 0.00 71 A 8.04 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.75 0.00 1.70 1.77 0.26 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.37 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 0.00 74 A 7.74 4.02 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 75 I 7.49 3.77 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.90 0.00 0.00 76 L 7.71 3.95 0.00 1.35 1.55 -0.15 0.83 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 77 K 7.66 4.01 0.00 1.67 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.86 3.95 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.76 7.81 79 K 8.26 2.00 0.00 1.25 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.51 0.90 7.81 80 G 7.97 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 81 H 7.32 4.70 0.00 3.15 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.57 5.47 0.00 3.30 3.47 0.00 5.67 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 83 E 8.56 3.98 0.00 2.20 2.31 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 2.39 2.37 0.00 84 A 7.88 4.03 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 4.11 0.00 2.26 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 2.41 2.47 0.00 86 L 8.20 4.23 0.00 1.94 1.72 0.97 0.66 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 87 K 7.80 3.93 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.68 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 89 L 7.51 4.00 0.00 2.00 1.94 1.03 1.39 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 8.45 4.21 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 91 Q 8.21 3.87 0.00 2.15 2.10 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 2.31 2.32 0.00 92 S 8.06 3.98 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 93 H 8.47 4.33 0.00 3.54 3.57 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 7.84 2.71 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.50 3.89 4.19 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 1.12 0.00 0.00 96 K 7.45 4.04 0.00 1.52 1.55 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.35 7.81 97 H 8.08 4.28 0.00 3.01 3.16 0.00 5.86 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 7.42 3.44 0.00 1.79 1.80 0.00 1.72 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.33 7.81 99 I 8.11 4.37 2.09 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 1.56 1.00 1.15 0.00 0.00 100 P 0.00 4.66 0.00 1.97 2.02 0.00 3.26 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 0.68 1.33 0.00 101 I 8.46 3.61 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.05 0.81 0.00 0.00 102 K 8.05 3.61 0.00 1.75 1.68 0.00 1.36 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.11 7.81 103 Y 7.97 4.11 0.00 3.26 3.08 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 0.00 0.00 0.00 104 L 8.05 4.21 0.00 1.82 1.78 0.68 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.98 4.04 0.00 2.04 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 2.39 2.35 0.00 106 F 7.66 4.51 0.00 3.11 2.85 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 0.00 107 I 8.06 3.88 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 1.10 0.00 0.00 108 S 8.02 4.19 0.00 4.25 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 0.00 109 E 8.46 4.03 0.00 2.17 2.30 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 2.38 2.41 0.00 110 A 8.01 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 0.00 111 I 8.02 3.69 2.11 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 1.61 0.74 1.04 0.00 0.00 112 I 7.91 3.82 2.12 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 1.70 0.86 1.15 0.00 0.00 113 H 8.43 4.09 0.00 3.36 3.50 0.00 5.78 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 0.00 114 V 7.89 3.53 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 0.99 0.00 0.00 0.96 0.00 0.00 115 L 7.84 3.75 0.00 0.51 0.64 0.89 0.70 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 7.84 4.28 0.00 3.42 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 7.73 4.14 0.00 3.90 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 0.00 118 R 7.85 4.03 0.00 1.44 1.61 0.00 3.11 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 119 H 8.28 5.04 0.00 3.18 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.75 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 4.30 0.00 2.20 2.27 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.13 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 5.02 0.00 2.79 2.92 0.00 0.00 6.66 7.13 0.00 0.00 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 7.89 4.93 0.00 2.93 3.01 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 0.00 124 G 7.70 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 0.00 125 A 8.45 3.89 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 0.00 126 D 7.96 4.19 0.00 2.64 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 0.00 127 A 7.76 3.94 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 0.00 128 Q 7.85 3.14 0.00 1.39 1.92 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 2.24 2.23 0.00 129 G 8.09 3.45 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 0.00 130 A 7.91 3.83 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 0.00 131 M 8.02 3.96 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.91 0.00 132 N 8.38 4.29 0.00 2.92 2.92 0.00 0.00 6.89 7.43 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 0.00 133 K 8.15 3.85 0.00 1.95 1.71 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 8.00 3.82 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 0.00 135 L 8.22 4.08 0.00 1.87 1.81 0.99 0.94 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 8.62 3.99 0.00 2.13 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 0.00 2.34 2.59 0.00 137 L 8.16 3.94 0.00 1.85 1.98 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.17 0.00 3.19 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 0.00 139 R 8.39 3.59 0.00 1.97 1.86 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 140 K 8.27 3.85 0.00 1.84 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.10 4.34 0.00 2.68 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 0.00 142 I 7.52 3.43 1.29 0.00 0.00 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 0.66 -0.35 0.17 0.00 0.00 143 A 8.23 3.89 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 0.00 144 A 7.95 3.96 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 0.00 145 K 8.03 4.01 0.00 2.09 1.95 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.38 4.33 0.00 3.31 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 0.00 147 K 8.13 3.97 0.00 1.90 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.96 4.04 0.00 2.20 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 2.36 2.57 0.00 149 L 8.03 4.31 0.00 1.77 1.69 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.11 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 7.39 4.37 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 0.00 152 Q 8.04 3.57 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 153 G 8.14 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 0.00 0.00 0.00