NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3777 8.2893 120.3322 55.7697 34.5791 175.4845 2 H 4.2933 7.6615 116.2906 55.0070 29.6817 173.3127 3 H 4.5820 8.9441 119.4654 55.7274 31.0366 177.0166 4 H 3.9292 8.1311 117.5021 56.6902 29.7460 173.8216 5 H 4.7443 8.7642 110.2299 55.2352 27.5719 175.5614 6 H 4.7552 7.9348 112.5509 57.0306 32.2174 172.1614 7 H 4.4905 8.2615 117.9766 55.5786 30.5125 173.1264 8 G 3.4647 8.6816 120.0789 46.1261 0.0000 175.2546 9 S 4.4499 7.5945 119.5544 57.5045 60.6242 171.6818 10 T 4.5875 8.3417 111.4341 58.9205 70.9942 175.1335 11 K 5.4434 8.1247 135.0000 56.4305 34.9910 174.5781 12 T 4.4997 7.2094 109.8721 60.9543 71.2791 172.5591 13 N 3.9011 8.8009 117.4352 56.4011 38.5410 176.5680 14 S 4.2276 8.1344 114.4127 62.0844 62.3655 175.7475 15 E 4.3620 7.9455 121.5591 58.5821 29.3543 179.0470 16 I 3.7505 8.4931 120.2266 63.9294 36.9202 177.8664 17 L 4.2411 8.7197 121.5649 58.1932 40.1827 178.6274 18 E 3.9619 7.7380 119.2172 59.1488 29.7959 178.8066 19 Q 4.0165 8.3856 117.6548 59.3601 28.5122 178.0971 20 L 4.2147 9.2058 121.4749 55.9989 41.6388 178.9124 21 K 3.9524 7.5875 116.8381 58.0343 32.8641 178.0688 22 Q 4.0659 7.9140 118.7755 58.4073 29.6456 176.2594 23 A 4.4346 7.9029 119.5096 54.2053 20.0897 179.1622 24 S 4.5030 8.0288 109.5113 60.8622 62.5087 174.6980 25 D 4.4213 7.5740 117.6600 55.1334 41.1340 176.7492 26 G 3.8375 8.3777 107.6676 48.1800 0.0000 174.4557 27 L 4.5221 7.1310 118.8707 54.5681 42.0188 178.5216 28 L 3.6211 7.5129 119.4588 53.8270 39.0298 175.6329 29 F 4.7885 6.0072 121.1044 54.2589 37.9190 174.0801 30 M 4.8283 8.0413 126.5944 56.6935 36.5369 173.2063 31 S 4.8827 9.1585 109.3425 58.0148 61.4051 169.7907 32 E 4.2274 8.7873 117.4253 58.4119 30.5174 176.8569 33 S 4.0376 7.9239 118.6969 58.4394 67.2997 175.4810 34 E 4.6963 8.4063 122.9667 54.2520 30.1205 174.3132 35 Y 4.8864 8.4272 123.8239 55.3892 41.7640 173.2857 36 P 3.9507 0.0000 0.0000 61.8295 33.1714 175.3871 37 F 4.9407 7.6548 120.3931 57.5550 39.9726 174.6373 38 E 4.5359 9.2332 124.5253 54.7216 31.1570 176.1947 39 V 4.6363 8.5248 118.0306 60.7018 33.2686 175.5713 40 F 5.1384 8.4521 116.3038 55.7413 41.0547 172.8556 41 L 5.4029 8.7661 124.0670 54.6439 43.0553 175.9305 42 W 4.8780 8.5797 124.6592 55.1409 32.8361 175.6955 43 E 4.3064 9.1680 123.1203 57.2286 29.4085 177.2421 44 G 3.9841 7.9942 106.6212 45.5886 0.0000 173.7089 45 S 4.1527 7.9011 113.6571 58.7036 62.9319 173.6183 46 A 3.9936 8.5154 119.0365 51.4191 17.0988 176.2652 47 P 4.4479 0.0000 0.0000 62.4656 31.8545 174.9965 48 P 4.9178 0.0000 0.0000 62.2982 30.2739 177.5192 49 V 3.7288 8.6530 114.6184 65.8519 31.6813 175.6865 50 T 4.3856 7.2480 112.6275 62.7867 71.9813 172.6555 51 H 4.8365 8.7077 122.3369 55.0277 26.2904 174.9592 52 E 5.9800 8.1727 129.6237 56.5350 30.3770 179.7965 53 I 3.6156 7.3506 122.0729 64.6133 37.3905 178.1660 54 V 3.3654 7.7223 119.3152 66.0440 31.2876 177.6902 55 L 3.7714 7.6256 119.7778 57.8850 41.2411 179.2568 56 Q 3.5924 7.5874 117.1647 59.3376 28.7290 179.2296 57 Q 4.1978 7.5638 117.9535 58.1561 28.9848 175.9468 58 T 4.1019 7.9800 114.7237 62.9970 69.7554 174.5056 59 G 3.7028 7.7844 114.7607 44.3526 0.0000 171.5258 60 H 3.8462 9.0349 116.3119 55.4726 27.2892 175.3790 61 G 4.2580 8.5088 115.2046 48.9694 0.0000 173.1470 62 Q 4.3941 8.0390 114.3618 56.9169 28.5008 176.0011 63 D 4.5644 8.5115 114.5260 54.2698 44.0428 174.1308 64 A 4.8130 7.5917 121.0803 50.2082 21.4274 175.9118 65 P 4.1161 0.0000 0.0000 64.9324 31.6531 175.7845 66 F 4.6752 7.8939 119.1494 56.4735 43.7886 172.3844 67 K 5.2645 8.7549 118.1809 54.4500 36.3492 175.0718 68 V 4.6330 8.4838 120.3695 61.7226 32.6332 176.4562 69 V 4.4897 8.4139 119.6810 59.8325 34.9215 173.9359 70 D 4.9241 8.2936 118.6645 52.7038 44.6729 176.7631 71 I 3.6226 8.1570 123.9600 64.1989 37.9973 177.5482 72 D 4.5618 7.9719 117.1565 55.4891 40.2038 177.9092 73 S 4.2501 8.0076 116.1895 61.5669 63.2895 176.0781 74 F 3.8097 8.8416 121.8197 61.1994 39.1207 175.9351 75 F 4.6923 8.0256 115.7938 57.8181 39.0857 176.7885 76 S 5.0221 8.6978 117.5317 60.8318 62.2602 176.4626 77 R 3.6995 7.9268 114.4422 58.0296 28.9620 176.2427 78 A 4.1896 7.5302 121.5331 54.1185 17.7847 177.1192 79 T 3.5646 8.3054 118.2923 64.1734 66.4987 173.2296 80 T 3.8518 7.3145 117.9832 62.5663 68.9629 172.2305 81 P 2.9700 0.0000 0.0000 61.8027 31.7178 176.2672 82 Q 3.5704 7.3246 122.8755 57.0308 28.6351 178.2017 83 D 5.3282 6.1329 127.5426 54.5695 41.0725 176.8513 84 W 4.5869 6.4684 114.7090 58.3386 31.2372 179.6881 85 Y 3.5275 7.9567 109.1930 57.0298 38.6112 175.0535 86 E 4.7573 9.1186 127.6799 55.1376 33.7322 174.0163 87 D 4.6221 9.1538 126.4844 57.6044 41.1218 178.0902 88 E 4.2923 8.1274 115.4753 58.1442 30.3807 178.2920 89 E 3.7821 8.6112 120.2143 58.9975 29.4897 178.5930 90 N 4.5236 8.3394 116.3422 56.4056 38.4665 176.5610 91 A 4.3785 7.8954 118.8297 53.4480 19.4909 179.2270 92 V 3.8178 8.3785 118.3016 65.8710 31.8786 178.2844 93 V 3.7415 8.8442 119.7637 65.1428 31.0209 178.0846 94 A 4.0876 7.7962 120.0097 54.7885 18.2091 179.4290 95 K 3.8403 8.2149 117.1102 59.7455 31.9673 179.2296 96 F 3.8817 8.3568 120.6595 61.5964 39.2910 177.0531 97 Q 4.1697 8.5281 117.2097 59.2072 28.2857 179.7582 98 K 4.8256 8.1127 120.5471 59.0452 32.3649 179.2745 99 L 3.8287 8.2958 119.3638 57.4716 41.3090 179.6043 100 L 3.9335 8.2171 121.0981 58.0809 42.1851 178.6121 101 E 3.5312 7.7359 116.4598 59.1951 29.3785 179.2045 102 V 3.7084 8.0905 120.0384 63.5250 31.6788 177.6449 103 I 4.0338 7.8346 117.9398 61.8803 38.5191 176.7779 104 K 4.1397 8.4915 119.4627 58.7313 32.5317 178.0918 105 S 4.1536 7.9498 111.4900 59.8789 62.8897 174.0962 106 N 5.5710 8.4878 120.2739 54.1087 37.4928 174.7611 107 L 4.3331 7.4605 115.5531 54.4423 42.2638 176.3421 108 K 3.6702 9.2757 120.2392 56.9246 32.9799 173.4388 109 N 4.5173 9.0157 125.5154 52.3334 38.7425 172.6739 110 P 4.5254 0.0000 0.0000 63.1068 33.3342 175.0158 111 Q 4.5653 8.4490 120.4077 54.1434 30.8241 175.5764 112 V 4.1072 7.8839 124.1796 62.9121 33.4284 174.5172 113 Y 5.0613 9.2719 123.7476 56.5430 41.7085 174.3362 114 R 5.1935 9.8406 125.3409 54.4555 32.3441 175.9794 115 L 4.9049 9.5093 124.0278 53.4473 45.5718 176.0448 116 G 4.5366 8.3667 120.1838 45.0815 0.0000 170.5776 117 E 4.7066 8.3174 121.5471 58.1424 30.2385 174.4216 118 V 4.1508 10.0040 128.1518 62.8957 31.1772 170.3161 119 E 5.0489 7.4370 117.0569 54.6198 30.0295 174.4072 120 L 4.4111 8.7969 125.0629 55.5446 42.9524 176.1964 121 D 5.1401 8.6320 118.5782 52.5443 43.3357 175.7828 122 V 5.3117 8.4792 123.9249 61.1863 33.6754 174.1090 123 Y 5.2043 8.7920 124.0323 56.3240 41.9284 174.6423 124 V 5.3361 9.5852 122.6341 60.3014 35.0879 174.2241 125 I 4.9437 8.4987 127.8741 60.1172 41.0579 175.0212 126 G 4.9156 9.6489 116.4213 44.4114 0.0000 172.5914 127 E 4.6954 8.4237 118.1574 55.6163 29.9990 174.4480 128 T 4.3730 7.8313 114.4509 61.4905 69.7104 173.5854 129 P 4.6754 0.0000 0.0000 65.1337 31.6199 177.1257 130 A 4.5929 8.1136 115.7551 50.8282 20.2974 175.3922 131 G 3.7125 8.6620 104.1171 43.7127 0.0000 173.1719 132 N 4.9935 8.2397 130.4622 55.0559 41.0898 174.0419 133 L 6.0830 7.7564 135.0000 55.0469 44.1881 173.3657 134 A 5.2209 6.8561 116.3683 51.7920 23.1810 176.0989 135 G 4.1855 8.2158 110.9207 46.3631 0.0000 171.3372 136 I 5.1857 9.0795 117.9518 59.5193 41.6315 174.3442 137 S 4.6863 8.0908 112.2533 58.5391 65.3281 174.7037 138 T 4.7649 7.7816 115.3605 60.8591 70.9830 172.4053 139 K 4.6663 8.3480 125.4799 55.6617 34.8630 175.2460 140 V 4.5594 8.0023 121.5056 61.8438 35.5133 173.2236 141 V 4.9497 8.4632 128.0711 61.3640 30.6458 174.7622 142 E 4.8311 8.1412 125.8096 55.7510 34.4181 175.1792 143 T 4.9157 8.4281 115.1435 61.4015 67.8388 173.5337 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 8.29 4.38 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 H 7.66 4.29 0.00 3.31 3.27 0.00 5.76 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 3 H 8.94 4.58 0.00 3.17 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.13 3.93 0.00 3.36 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.76 4.74 0.00 3.25 3.26 0.00 5.75 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.93 4.76 0.00 2.99 3.33 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.26 4.49 0.00 3.15 3.23 0.00 5.97 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.59 4.45 0.00 3.91 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 10 T 8.34 4.59 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 1.21 0.00 0.00 11 K 8.12 5.44 0.00 1.92 2.10 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.24 7.81 12 T 7.21 4.50 4.33 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 1.21 0.00 0.00 13 N 8.80 3.90 0.00 2.91 2.92 0.00 0.00 6.66 7.69 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 14 S 8.13 4.23 0.00 3.95 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 15 E 7.95 4.36 0.00 2.06 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 2.40 2.26 0.00 16 I 8.49 3.75 2.02 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 1.93 0.78 0.96 0.00 0.00 17 L 8.72 4.24 0.00 1.89 2.09 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.74 3.96 0.00 2.11 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 2.39 2.32 0.00 19 Q 8.39 4.02 0.00 2.45 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 20 L 9.21 4.21 0.00 1.68 1.75 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.59 3.95 0.00 2.11 1.85 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.51 7.81 22 Q 7.91 4.07 0.00 2.02 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 23 A 7.90 4.43 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 24 S 8.03 4.50 0.00 3.89 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 0.00 25 D 7.57 4.42 0.00 2.56 2.60 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 26 G 8.38 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 0.00 0.00 0.00 27 L 7.13 4.52 0.00 1.89 1.64 1.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.51 3.62 0.00 1.49 1.50 0.88 0.59 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 29 F 6.01 4.79 0.00 2.99 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 30 M 8.04 4.83 0.00 2.34 2.29 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 2.63 2.45 0.00 31 S 9.16 4.88 0.00 4.23 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.79 4.23 0.00 2.15 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 0.00 2.42 2.52 0.00 33 S 7.92 4.04 0.00 3.69 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 34 E 8.41 4.70 0.00 1.88 1.66 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 2.01 2.42 0.00 35 Y 8.43 4.89 0.00 3.11 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 3.95 0.00 2.02 1.94 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 37 F 7.65 4.94 0.00 3.02 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 38 E 9.23 4.54 0.00 1.66 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 2.17 2.16 0.00 39 V 8.52 4.64 2.33 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 0.84 0.00 0.00 1.02 0.00 0.00 40 F 8.45 5.14 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.77 5.40 0.00 1.79 1.69 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.58 4.88 0.00 3.23 3.13 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 0.00 0.00 0.00 0.00 43 E 9.17 4.31 0.00 1.89 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 2.29 2.23 0.00 44 G 7.99 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 0.00 0.00 0.00 45 S 7.90 4.15 0.00 4.02 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 46 A 8.52 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.45 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 48 P 0.00 4.92 0.00 2.16 1.38 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 49 V 8.65 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 50 T 7.25 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 51 H 8.71 4.84 0.00 3.16 3.34 0.00 6.00 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 52 E 8.17 5.98 0.00 2.34 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 2.22 2.12 0.00 53 I 7.35 3.62 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.96 0.91 0.00 0.00 54 V 7.72 3.37 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 -0.67 0.00 0.00 0.73 0.00 0.00 55 L 7.63 3.77 0.00 1.84 1.72 1.05 0.94 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 56 Q 7.59 3.59 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 57 Q 7.56 4.20 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 58 T 7.98 4.10 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 0.88 0.00 0.00 59 G 7.78 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 60 H 9.03 3.85 0.00 3.43 3.71 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.04 4.39 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 63 D 8.51 4.56 0.00 2.59 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 64 A 7.59 4.81 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 65 P 0.00 4.12 0.00 2.38 2.28 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 2.11 2.14 0.00 66 F 7.89 4.68 0.00 3.25 3.29 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 67 K 8.75 5.26 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.16 7.81 68 V 8.48 4.63 2.43 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 0.90 0.00 0.00 1.02 0.00 0.00 69 V 8.41 4.49 2.20 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 0.98 0.00 0.00 1.09 0.00 0.00 70 D 8.29 4.92 0.00 2.66 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 71 I 8.16 3.62 1.99 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.91 0.00 0.00 72 D 7.97 4.56 0.00 2.86 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 73 S 8.01 4.25 0.00 4.06 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 74 F 8.84 3.81 0.00 2.85 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 75 F 8.03 4.69 0.00 3.33 3.13 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 0.00 0.00 0.00 0.00 76 S 8.70 5.02 0.00 3.97 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 77 R 7.93 3.70 0.00 1.76 1.89 0.00 2.21 0.00 0.00 2.85 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.00 78 A 7.53 4.19 1.84 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 0.00 0.00 79 T 8.31 3.56 4.31 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 1.23 0.00 0.00 80 T 7.31 3.85 4.16 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 0.00 0.00 0.98 0.00 0.00 81 P 0.00 2.97 0.00 1.76 1.79 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 82 Q 7.32 3.57 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 7.43 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 83 D 6.13 5.33 0.00 2.06 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 6.47 4.59 0.00 3.46 3.36 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 85 Y 7.96 3.53 0.00 2.86 3.13 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 0.00 0.00 0.00 0.00 86 E 9.12 4.76 0.00 1.97 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 2.42 2.40 0.00 87 D 9.15 4.62 0.00 2.73 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 88 E 8.13 4.29 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 89 E 8.61 3.78 0.00 2.22 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 0.00 2.36 2.63 0.00 90 N 8.34 4.52 0.00 2.77 2.87 0.00 0.00 7.05 7.57 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 91 A 7.90 4.38 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 92 V 8.38 3.82 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 1.10 0.00 0.00 0.96 0.00 0.00 93 V 8.84 3.74 2.34 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 1.00 0.00 0.00 1.27 0.00 0.00 94 A 7.80 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.84 0.00 1.96 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.64 7.81 96 F 8.36 3.88 0.00 3.20 3.12 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 97 Q 8.53 4.17 0.00 2.36 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 3.03 2.79 0.00 98 K 8.11 4.83 0.00 2.01 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 99 L 8.30 3.83 0.00 1.52 1.36 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.22 3.93 0.00 1.89 1.95 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.74 3.53 0.00 2.13 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 2.47 2.38 0.00 102 V 8.09 3.71 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 1.01 0.00 0.00 0.90 0.00 0.00 103 I 7.83 4.03 1.97 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 1.46 1.08 0.87 0.00 0.00 104 K 8.49 4.14 0.00 1.82 1.81 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.58 7.81 105 S 7.95 4.15 0.00 3.74 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 0.00 106 N 8.49 5.57 0.00 2.94 2.98 0.00 0.00 6.99 8.18 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 0.00 107 L 7.46 4.33 0.00 1.66 1.70 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.28 3.67 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.47 7.81 109 N 9.02 4.52 0.00 2.61 2.79 0.00 0.00 7.04 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 0.00 110 P 0.00 4.53 0.00 1.96 1.95 0.00 3.42 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 111 Q 8.45 4.57 0.00 1.49 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 112 V 7.88 4.11 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 1.10 0.00 0.00 113 Y 9.27 5.06 0.00 2.95 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 0.00 114 R 9.84 5.19 0.00 1.90 1.69 0.00 3.29 0.00 0.00 3.54 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 115 L 9.51 4.90 0.00 1.67 1.62 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.37 4.54 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 0.00 117 E 8.32 4.71 0.00 2.13 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 0.00 2.25 2.32 0.00 118 V 10.00 4.15 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 1.10 0.00 0.00 0.97 0.00 0.00 119 E 7.44 5.05 0.00 1.85 1.84 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 2.24 2.33 0.00 120 L 8.80 4.41 0.00 2.01 2.05 0.89 0.53 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 0.00 121 D 8.63 5.14 0.00 2.85 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 0.00 0.00 0.00 0.00 122 V 8.48 5.31 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 0.60 0.00 0.00 0.93 0.00 0.00 123 Y 8.79 5.20 0.00 3.16 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 0.00 124 V 9.59 5.34 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 1.10 0.00 0.00 0.93 0.00 0.00 125 I 8.50 4.94 1.85 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.64 1.17 0.00 0.00 126 G 9.65 4.92 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 0.00 127 E 8.42 4.70 0.00 2.22 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 2.20 2.31 0.00 128 T 7.83 4.37 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 0.00 129 P 0.00 4.68 0.00 2.11 2.19 0.00 3.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 130 A 8.11 4.59 1.26 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 0.00 0.00 131 G 8.66 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.24 4.99 0.00 3.02 2.88 0.00 0.00 7.22 8.08 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 0.00 133 L 7.76 6.08 0.00 1.96 1.84 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 134 A 6.86 5.22 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 0.00 135 G 8.22 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 0.00 0.00 0.00 0.00 136 I 9.08 5.19 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.76 0.91 0.00 0.00 137 S 8.09 4.69 0.00 3.77 3.30 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 0.00 138 T 7.78 4.76 4.47 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 0.43 0.00 0.00 139 K 8.35 4.67 0.00 1.64 1.29 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.62 7.81 140 V 8.00 4.56 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 0.90 0.00 0.00 1.09 0.00 0.00 141 V 8.46 4.95 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 0.89 0.00 0.00 1.01 0.00 0.00 142 E 8.14 4.83 0.00 1.44 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 2.15 1.90 0.00 143 T 8.43 4.92 4.28 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 1.30 0.00 0.00