NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7224 8.0549 120.2827 61.3238 32.5625 174.4661 2 D 4.4886 8.1874 123.9326 51.7280 41.8519 174.3527 3 W 4.8390 8.3292 125.3561 56.0185 31.3558 177.0383 4 T 4.3592 8.9545 113.8470 61.3133 70.5640 175.6419 5 D 4.4077 8.7423 121.7573 57.5533 40.7503 179.0061 6 A 3.9971 8.0104 120.7010 55.2223 18.4082 179.3524 7 E 3.9832 8.2692 117.0134 59.6015 29.6490 179.6843 8 R 3.6071 8.0658 117.9694 59.3451 30.1347 178.9250 9 S 4.0221 8.2567 112.6554 61.5278 62.2657 176.1692 10 A 3.9855 8.3176 123.6146 54.9676 17.9919 179.7894 11 I 3.5662 7.8684 118.5304 64.4825 37.2020 178.7999 12 V 3.6053 7.5830 119.0822 65.9170 31.1322 178.2720 13 G 3.5702 7.9862 104.3422 47.6262 0.0000 175.1147 14 L 4.0622 8.1711 123.2269 57.6738 41.6334 178.8095 15 W 4.2129 8.5113 128.6692 60.4672 30.3792 178.0258 16 G 3.7133 8.1330 104.6432 46.3278 0.0000 174.6775 17 K 4.3747 7.5905 119.1587 55.7572 33.4275 175.9383 18 I 4.1954 6.4056 112.4729 59.1856 39.9293 175.7470 19 S 4.3441 7.9868 116.2671 56.8988 63.1844 174.9087 20 V 3.2876 7.9717 129.8170 66.1385 31.0207 177.4063 21 D 4.3913 7.9436 117.1933 56.4801 40.7968 177.6038 22 E 4.1846 7.5099 118.4896 58.7928 29.9401 178.3249 23 I 3.8764 7.8414 120.1194 63.9962 37.0895 178.4504 24 G 3.6930 8.0905 106.6587 47.6450 0.0000 173.8090 25 P 4.2733 0.0000 0.0000 65.1244 31.3664 178.7761 26 Q 3.9374 7.7730 115.1935 58.8204 28.5314 178.6990 27 A 3.9702 8.2324 122.0608 55.0240 18.4369 179.5305 28 L 3.7721 7.9522 118.6842 58.1475 42.0636 178.8662 29 A 3.8742 7.8203 120.7403 55.1270 18.2440 179.5746 30 R 3.7560 8.0022 117.0927 59.3466 30.1270 178.2986 31 L 3.8150 8.0168 120.3316 58.4053 42.0685 179.1165 32 L 4.0265 7.6798 119.8583 56.8609 41.1869 179.5343 33 I 3.7471 7.0165 119.1832 63.9609 37.4723 178.0722 34 V 3.7851 7.9117 118.0677 64.1221 32.9972 176.2680 35 S 3.4700 7.7997 114.7278 55.0769 62.7357 172.8357 36 P 4.8626 0.0000 0.0000 64.1498 31.7013 178.3765 37 W 4.3317 7.6743 116.9072 59.7164 27.5643 177.9139 38 T 4.1259 7.5819 110.4222 64.3720 68.0529 176.2913 39 Q 4.1288 8.2446 121.2938 58.4746 28.3874 178.1587 40 R 3.8105 7.5546 119.0842 59.4786 30.0033 176.8931 41 H 4.6144 7.8197 112.5884 55.5491 29.3970 175.3348 42 F 4.6630 7.9187 119.2546 56.8462 40.1802 176.9770 43 S 4.2602 8.3222 117.3168 60.9202 62.9167 174.8952 44 T 4.3397 8.0652 109.3863 62.3394 69.0394 174.7320 45 F 4.5379 8.6836 121.1915 57.6641 39.8530 176.1309 46 G 3.9642 7.9757 107.9003 44.8684 0.0000 175.9809 47 N 4.5664 8.6548 127.0162 53.2624 38.2728 173.9339 48 L 4.8796 8.2913 124.8050 54.3168 43.2819 178.1267 49 S 4.2905 8.3567 116.6704 60.6998 63.1777 174.9301 50 T 4.7324 7.4442 109.5201 58.1984 72.9349 172.5997 51 P 4.1590 0.0000 0.0000 65.9565 31.3270 178.7134 52 A 3.9453 8.0006 118.5700 55.0971 18.1135 179.3571 53 A 3.9308 7.6526 118.1074 55.3367 18.7690 179.5957 54 I 3.7834 8.0065 118.5461 64.9248 36.9811 178.6363 55 M 4.1886 8.2289 118.6018 57.7117 31.8552 178.0923 56 G 4.0848 7.7112 102.9519 43.5018 0.0000 173.1162 57 N 4.5337 7.5742 121.2837 52.5052 39.0854 173.8934 58 P 4.3871 0.0000 0.0000 65.3878 31.5615 178.3691 59 A 4.0249 8.1352 120.7611 55.0078 18.3898 179.3524 60 V 3.5084 8.4794 116.7087 66.0980 31.5363 178.0425 61 A 3.9579 8.0397 120.3045 55.1488 18.4152 179.3227 62 K 3.8547 8.2526 118.2144 60.2122 32.1631 178.4203 63 H 4.4720 8.6334 118.5240 59.0553 29.8006 177.4302 64 G 3.6150 8.5157 108.1305 47.6135 0.0000 175.7933 65 K 4.0000 8.1185 120.7969 59.5844 32.1209 179.4445 66 T 3.9233 7.8353 115.5729 66.6161 68.1621 176.4994 67 V 3.6476 7.6758 118.8462 66.5802 31.8274 177.6653 68 M 4.4471 8.1352 118.0632 58.9350 31.8835 178.5879 69 H 4.7668 8.7884 116.3582 58.3996 28.6179 177.9605 70 G 3.8654 8.1669 107.0841 47.4017 0.0000 175.0485 71 L 4.6921 8.1968 121.4774 55.6248 41.8217 178.6284 72 D 4.5118 8.1494 120.1519 57.5703 41.0228 178.9629 73 R 4.1368 8.0490 115.2675 58.6010 29.3319 178.6107 74 A 3.9847 7.8906 120.8938 55.2930 18.6670 179.0968 75 V 3.3606 7.3855 115.3122 66.2422 31.4695 177.9041 76 Q 4.3379 7.8946 116.9383 57.5296 29.5338 176.0165 77 N 4.8177 8.0171 117.9799 51.4224 39.4369 174.3401 78 L 4.3198 8.2534 123.2383 56.3745 41.9785 177.7151 79 D 5.0115 8.1190 117.1138 54.4928 41.3459 176.0502 80 D 4.9106 8.0175 119.2354 53.0370 42.0757 177.5503 81 I 3.7993 8.2515 120.6954 63.8419 36.9367 177.4633 82 K 3.8789 8.1548 118.0271 59.9476 32.0211 178.4819 83 N 4.5648 8.0674 113.9063 55.8579 38.7570 177.2391 84 T 3.8645 7.5600 116.5563 65.6314 68.5352 175.1288 85 Y 4.6406 7.1446 116.2514 57.4799 38.3414 177.5186 86 V 3.6136 7.7429 121.3373 66.6240 31.6998 178.0629 87 T 3.8748 7.8577 114.6909 66.7252 68.3925 176.5468 88 L 4.1143 7.9484 120.4049 57.6386 41.7071 179.3126 89 S 4.4097 8.6528 114.7821 61.2023 62.4603 176.8089 90 V 3.5245 7.7993 114.9860 64.2259 31.1903 178.3127 91 M 3.9003 7.9593 118.0426 59.1080 32.0712 178.1307 92 H 4.2028 8.3709 116.2339 58.6935 28.5457 177.6481 93 S 3.6206 7.8051 115.2786 61.0000 61.9736 175.7975 94 E 4.0530 8.3568 120.7170 57.6559 29.6033 177.7149 95 K 3.8570 7.4324 118.4227 57.8215 32.9288 177.0802 96 L 4.1262 7.2675 115.8005 53.9490 42.5890 176.3181 97 F 4.1434 7.0617 115.2780 57.1377 36.3800 175.6897 98 V 3.8430 8.0980 119.9236 61.5744 32.2399 174.8201 99 D 4.3504 8.7509 127.4161 53.7638 41.5050 174.9991 100 P 3.1487 0.0000 0.0000 64.7210 31.3817 177.6541 101 D 4.3233 8.3826 118.6490 57.4263 40.9082 177.7514 102 N 4.5344 8.1327 116.8613 55.7165 38.3613 177.2782 103 F 4.4302 7.5529 119.8975 60.4010 38.9007 177.4555 104 R 3.8859 8.0234 117.8644 59.5557 30.0641 178.4082 105 L 4.0315 7.8486 118.3024 57.6497 41.4987 179.3436 106 L 3.9371 8.3468 120.3411 58.0863 42.0329 178.7396 107 A 3.9937 8.2530 120.8958 55.4767 18.2949 179.3726 108 D 4.3527 8.3608 117.2940 57.6998 40.7667 178.8536 109 C 4.2152 8.0569 117.2499 62.6764 28.0027 176.1179 110 I 3.7610 8.1869 121.8761 64.6739 36.6470 178.4502 111 T 4.0885 8.2089 116.6378 66.7942 68.3241 176.6872 112 V 3.5709 7.8565 119.9103 66.3882 31.5751 177.9257 113 C 4.1095 8.3228 116.5895 62.5778 27.8759 176.3159 114 V 3.3359 7.9760 119.9795 65.7100 30.9917 177.8842 115 A 3.5767 7.6158 120.4283 55.0068 17.9720 179.4347 116 A 3.8753 7.7617 118.1000 55.1070 18.5064 179.5220 117 K 3.9545 7.8518 117.0361 59.3400 32.4216 178.3760 118 L 4.3796 7.9298 117.0469 53.4739 42.6217 177.8638 119 G 4.0504 8.1034 105.4475 44.2978 0.0000 172.3580 120 P 4.3983 0.0000 0.0000 64.5315 32.0041 178.6615 121 A 4.0959 8.0488 121.7873 55.1309 18.9249 178.8631 122 V 3.7029 7.8661 113.8466 65.8298 32.1456 176.7440 123 F 4.5867 7.9999 123.3868 56.8623 37.5716 174.9609 124 S 4.6086 7.7004 121.6857 56.6626 65.7105 174.8912 125 A 3.8688 8.3671 123.1521 55.6247 18.0799 179.6227 126 D 4.2924 7.9402 116.7085 57.6272 40.8893 179.0150 127 T 3.8459 7.6693 116.0438 66.5505 68.4038 176.5723 128 Q 3.6444 7.8156 121.8789 58.8086 28.9983 177.8723 129 E 3.9343 8.3279 120.2714 59.3190 29.6899 178.7800 130 A 4.1859 7.9988 120.5553 55.1810 18.4163 179.4216 131 F 4.5609 8.6710 119.4352 61.5967 39.4422 177.1068 132 Q 3.9823 8.8344 119.7704 59.0096 28.8317 178.2592 133 K 3.9633 8.2347 120.5535 59.4024 32.2994 178.3187 134 F 4.5302 8.6974 121.0236 61.7401 39.2907 177.1307 135 L 3.5439 8.2781 118.5064 57.5421 41.3319 179.3786 136 A 3.9510 8.2485 121.0804 55.0709 18.2826 179.9052 137 V 3.4469 7.7607 116.7870 65.9225 31.5314 178.3909 138 V 3.1993 7.4444 117.9933 65.9244 31.1993 178.1170 139 V 3.3235 7.8402 118.2827 65.9101 31.0785 177.8336 140 S 4.0107 7.8656 111.6217 61.3541 62.6341 175.6953 141 A 4.1415 7.9799 123.4064 55.2225 18.2613 179.6601 142 L 3.8731 8.0655 117.8339 56.9933 41.4555 178.9134 143 G 4.0568 7.7569 103.7154 44.9583 0.0000 175.4989 144 R 4.0437 7.6911 120.7995 59.0762 30.1340 176.8040 145 Q 4.4953 8.1660 115.3449 55.8344 28.8101 174.8906 146 Y 4.1513 8.0053 117.5134 57.6824 38.1172 175.4373 147 H 4.5872 8.3267 119.7958 55.7090 28.8380 173.1876 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 3.72 1.75 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 0.73 0.00 0.00 -0.21 0.00 0.00 2 D 8.19 4.49 0.00 2.64 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 3 W 8.33 4.84 0.00 3.32 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 4 T 8.95 4.36 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 1.26 0.00 0.00 5 D 8.74 4.41 0.00 2.82 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 6 A 8.01 4.00 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 7 E 8.27 3.98 0.00 2.49 2.36 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 2.63 2.48 0.00 8 R 8.07 3.61 0.00 1.82 1.84 0.00 3.35 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 9 S 8.26 4.02 0.00 3.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.32 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 11 I 7.87 3.57 1.54 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.22 0.00 0.00 12 V 7.58 3.61 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 0.99 0.00 0.00 0.85 0.00 0.00 13 G 7.99 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 14 L 8.17 4.06 0.00 1.79 1.84 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.51 4.21 0.00 3.41 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 16 G 8.13 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 17 K 7.59 4.37 0.00 1.87 1.86 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.34 7.81 18 I 6.41 4.20 1.58 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.05 0.69 0.00 0.00 19 S 7.99 4.34 0.00 3.80 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 20 V 7.97 3.29 1.80 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 0.62 0.00 0.00 0.35 0.00 0.00 21 D 7.94 4.39 0.00 2.67 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 22 E 7.51 4.18 0.00 2.02 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 2.21 2.29 0.00 23 I 7.84 3.88 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.87 0.00 0.00 24 G 8.09 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 0.00 0.00 0.00 25 P 0.00 4.27 0.00 2.15 2.11 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 26 Q 7.77 3.94 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 27 A 8.23 3.97 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 28 L 7.95 3.77 0.00 1.73 1.57 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 3.87 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 30 R 8.00 3.76 0.00 2.04 2.07 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 31 L 8.02 3.82 0.00 1.80 1.75 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.68 4.03 0.00 1.74 1.59 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.02 3.75 1.90 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 1.35 0.41 0.86 0.00 0.00 34 V 7.91 3.79 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 0.78 0.00 0.00 0.88 0.00 0.00 35 S 7.80 3.47 0.00 3.45 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 36 P 0.00 4.86 0.00 2.21 2.19 0.00 3.22 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 37 W 7.67 4.33 0.00 3.59 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 38 T 7.58 4.13 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 1.20 0.00 0.00 39 Q 8.24 4.13 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 40 R 7.55 3.81 0.00 1.95 1.94 0.00 3.25 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 41 H 7.82 4.61 0.00 2.77 2.64 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.92 4.66 0.00 2.88 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 43 S 8.32 4.26 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.07 4.34 4.29 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 1.27 0.00 0.00 45 F 8.68 4.54 0.00 3.30 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 46 G 7.98 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 0.00 0.00 0.00 47 N 8.65 4.57 0.00 2.72 2.79 0.00 0.00 6.59 7.78 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 48 L 8.29 4.88 0.00 1.65 1.60 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.36 4.29 0.00 3.97 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 50 T 7.44 4.73 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 1.21 0.00 0.00 51 P 0.00 4.16 0.00 2.16 2.13 0.00 3.59 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 2.10 2.15 0.00 52 A 8.00 3.95 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 53 A 7.65 3.93 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 54 I 8.01 3.78 1.98 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 1.49 1.14 0.88 0.00 0.00 55 M 8.23 4.19 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 56 G 7.71 4.08 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 0.00 0.00 0.00 57 N 7.57 4.53 0.00 2.97 2.84 0.00 0.00 6.90 8.47 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 58 P 0.00 4.39 0.00 2.32 2.30 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 59 A 8.14 4.02 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 60 V 8.48 3.51 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 0.92 0.00 0.00 0.88 0.00 0.00 61 A 8.04 3.96 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 62 K 8.25 3.85 0.00 1.97 2.07 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 63 H 8.63 4.47 0.00 3.79 3.54 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 64 G 8.52 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 65 K 8.12 4.00 0.00 2.10 1.96 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.72 7.81 66 T 7.84 3.92 4.41 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 1.28 0.00 0.00 67 V 7.68 3.65 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 0.89 0.00 0.00 0.99 0.00 0.00 68 M 8.14 4.45 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.90 0.00 69 H 8.79 4.77 0.00 3.33 3.43 0.00 5.62 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 70 G 8.17 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 71 L 8.20 4.69 0.00 2.18 1.57 0.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.15 4.51 0.00 3.05 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 73 R 8.05 4.14 0.00 1.92 2.14 0.00 2.89 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 74 A 7.89 3.98 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.39 3.36 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 0.57 0.00 0.00 -0.49 0.00 0.00 76 Q 7.89 4.34 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 77 N 8.02 4.82 0.00 2.67 2.62 0.00 0.00 7.19 6.06 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 78 L 8.25 4.32 0.00 1.41 1.22 0.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.12 5.01 0.00 2.91 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 80 D 8.02 4.91 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 81 I 8.25 3.80 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.97 1.06 0.00 0.00 82 K 8.15 3.88 0.00 1.75 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 83 N 8.07 4.56 0.00 2.98 2.86 0.00 0.00 6.92 7.54 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 84 T 7.56 3.86 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 0.61 0.00 0.00 85 Y 7.14 4.64 0.00 3.15 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 86 V 7.74 3.61 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 1.09 0.00 0.00 1.04 0.00 0.00 87 T 7.86 3.87 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 88 L 7.95 4.11 0.00 2.01 1.84 1.16 0.93 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 89 S 8.65 4.41 0.00 3.99 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 90 V 7.80 3.52 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 0.74 0.00 0.00 0.89 0.00 0.00 91 M 7.96 3.90 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 92 H 8.37 4.20 0.00 3.72 3.74 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.81 3.62 0.00 2.72 3.32 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 94 E 8.36 4.05 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 95 K 7.43 3.86 0.00 1.55 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.33 7.81 96 L 7.27 4.13 0.00 1.68 1.55 0.71 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.06 4.14 0.00 3.25 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 98 V 8.10 3.84 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 0.44 0.00 0.00 0.72 0.00 0.00 99 D 8.75 4.35 0.00 2.72 2.54 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 0.00 100 P 0.00 3.15 0.00 2.00 1.48 0.00 3.51 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.99 0.00 101 D 8.38 4.32 0.00 2.72 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 0.00 102 N 8.13 4.53 0.00 2.71 2.85 0.00 0.00 6.88 8.58 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 0.00 103 F 7.55 4.43 0.00 3.10 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 0.00 104 R 8.02 3.89 0.00 1.89 2.18 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 105 L 7.85 4.03 0.00 1.95 1.73 1.33 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.35 3.94 0.00 1.87 1.90 0.94 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.25 3.99 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 0.00 108 D 8.36 4.35 0.00 2.89 2.77 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 0.00 0.00 0.00 109 C 8.06 4.22 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.19 3.76 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 1.28 0.00 0.00 111 T 8.21 4.09 4.55 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 1.50 0.00 0.00 112 V 7.86 3.57 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 1.02 0.00 0.00 0.97 0.00 0.00 113 C 8.32 4.11 0.00 3.11 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 0.00 114 V 7.98 3.34 1.71 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 0.39 0.00 0.00 0.87 0.00 0.00 115 A 7.62 3.58 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 0.00 116 A 7.76 3.88 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 0.00 117 K 7.85 3.95 0.00 1.74 1.87 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.42 7.81 118 L 7.93 4.38 0.00 1.62 1.71 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.40 0.00 2.27 2.36 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 121 A 8.05 4.10 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 0.00 122 V 7.87 3.70 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 0.81 0.00 0.00 0.94 0.00 0.00 123 F 8.00 4.59 0.00 2.91 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 0.00 124 S 7.70 4.61 0.00 4.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.37 3.87 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 0.00 126 D 7.94 4.29 0.00 2.67 2.71 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 0.00 127 T 7.67 3.85 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 1.21 0.00 0.00 128 Q 7.82 3.64 0.00 1.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 129 E 8.33 3.93 0.00 2.14 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 0.00 2.35 2.50 0.00 130 A 8.00 4.19 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 0.00 131 F 8.67 4.56 0.00 3.38 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 0.00 132 Q 8.83 3.98 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 133 K 8.23 3.96 0.00 2.14 2.31 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 1.37 7.81 134 F 8.70 4.53 0.00 3.21 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 0.00 135 L 8.28 3.54 0.00 1.65 1.51 0.48 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.25 3.95 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 0.00 137 V 7.76 3.45 2.28 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 1.05 0.00 0.00 0.89 0.00 0.00 138 V 7.44 3.20 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.16 0.00 0.00 139 V 7.84 3.32 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 0.95 0.00 0.00 0.89 0.00 0.00 140 S 7.87 4.01 0.00 3.85 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 0.00 141 A 7.98 4.14 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.07 3.87 0.00 1.00 0.30 0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.76 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.69 4.04 0.00 2.10 2.09 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 145 Q 8.17 4.50 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 146 Y 8.01 4.15 0.00 3.08 2.97 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 0.00 147 H 8.33 4.59 0.00 3.22 3.25 0.00 5.56 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