NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4830 8.3344 116.7998 58.6950 64.0709 173.3342 3 D 4.7143 8.0376 121.8748 50.9833 41.0475 171.0145 4 V 3.8176 8.0061 123.7879 65.5014 32.9420 176.4341 5 Q 3.9191 8.3023 117.2672 59.2839 28.0828 178.6624 6 S 4.2028 7.7928 114.6461 60.6694 62.9633 175.6823 7 S 4.7118 7.9569 116.6134 59.2583 64.1222 175.4133 8 L 3.6722 7.8204 122.3014 56.4701 42.3548 177.5518 9 T 3.8746 7.3079 115.1917 62.9651 69.0721 174.8743 10 G 3.7294 7.8535 112.6963 44.6308 0.0000 171.1822 11 T 4.6508 7.4983 116.8719 62.2850 69.6881 174.8490 12 W 5.0345 8.9462 125.0906 55.0359 33.6488 173.8890 13 Y 5.4407 9.4787 120.0896 56.4740 41.5405 174.9128 14 N 5.8550 9.0233 121.0206 50.1108 40.4387 175.3669 15 E 3.9507 8.7492 115.4004 59.1220 29.6281 178.1123 16 L 4.3888 8.1179 117.5935 54.2723 41.8566 176.3606 17 N 4.4180 8.4585 116.2510 54.3114 38.1548 174.1478 18 S 4.5519 8.0831 112.1430 58.1957 64.5638 172.8581 19 K 4.8375 8.8836 124.2161 54.7257 35.0165 174.2338 20 M 4.6357 8.9624 127.4245 53.7080 35.0517 174.1677 21 E 4.6091 9.0950 126.8693 54.9490 30.7888 174.1458 22 L 4.7795 8.6840 127.8973 53.2831 44.4561 174.8483 23 T 4.7424 8.8068 120.5944 60.0844 70.3260 172.0460 24 A 4.7668 8.6955 131.3009 50.4065 20.4566 175.9595 25 N 4.8509 9.4431 123.2908 52.5695 40.4142 177.6770 26 K 4.0657 8.8146 122.4739 57.5961 31.9003 178.6930 27 D 4.5510 8.0600 114.6561 53.9694 39.7447 177.1161 28 G 3.4307 8.5254 109.5807 45.2481 0.0000 173.3608 29 T 4.8988 8.1140 110.3148 60.8450 71.1843 173.6364 30 L 5.3072 8.9100 123.3852 53.3649 44.7649 175.7494 31 T 5.1001 8.9580 112.3899 58.9629 73.1957 173.1260 32 G 3.3882 7.4094 106.1911 44.2929 0.0000 171.7878 33 K 4.9816 8.1889 118.9183 54.6623 36.2957 175.0161 34 Y 4.8197 9.1392 124.7795 55.6647 42.0053 173.6973 35 L 5.0626 8.9083 129.4353 53.4178 44.1364 175.1340 36 S 4.8933 9.1687 121.6007 57.7867 63.1986 173.9276 37 K 4.4040 8.6468 125.8072 56.7706 32.2980 176.7737 38 V 4.3543 7.4740 111.6537 60.1391 35.2428 176.2567 39 G 3.7794 8.5402 105.6177 45.9103 0.0000 173.6247 40 D 4.4206 7.8019 119.0784 53.4517 39.8906 176.9480 41 V 4.3365 6.3738 110.9679 59.8695 35.5982 175.9911 42 Y 4.8916 8.5749 116.3320 57.4762 40.3304 175.3637 43 V 4.6475 7.7005 111.6148 58.4794 35.8076 173.2603 44 P 4.8765 0.0000 0.0000 63.1360 32.0588 175.5990 45 Y 4.7293 9.0102 119.9644 55.2991 41.4831 173.6886 46 P 5.0174 0.0000 0.0000 62.7319 32.1631 175.2617 47 L 5.1821 8.7375 121.1720 54.3320 44.0449 175.3591 48 S 4.9280 8.9342 115.2920 57.5384 67.5609 173.8812 49 G 4.2938 8.6941 109.4417 46.2676 0.0000 171.8804 50 R 5.5600 8.9721 117.5731 55.0254 34.8562 174.1704 51 Y 5.3660 8.5946 118.7268 55.3549 41.4197 174.6549 52 N 4.3632 9.0110 119.7200 53.6429 39.0704 175.5977 53 L 4.2796 8.2709 122.4755 56.3564 42.6362 177.1621 54 Q 4.5628 7.5515 116.2663 52.8583 29.0699 172.4030 55 P 4.3777 0.0000 0.0000 61.5966 32.8145 175.8231 56 P 4.3077 0.0000 0.0000 62.1588 31.9667 175.7170 57 A 4.1192 8.4881 124.2226 53.9559 18.6214 177.9678 58 G 3.9870 8.9814 109.2841 46.0154 0.0000 172.9829 59 Q 4.8165 7.8184 116.8262 53.3207 32.3568 175.3928 60 G 3.0228 8.2819 106.3301 45.1089 0.0000 173.5313 61 V 4.1604 8.1992 121.5882 61.5128 32.4874 175.2979 62 A 4.8742 8.5846 130.8057 52.1657 19.8214 175.7789 63 L 4.9998 9.0138 120.2274 55.4229 44.5025 174.1790 64 G 4.7220 9.1896 105.6320 45.4523 0.0000 172.0371 65 W 6.0008 8.6811 117.6929 55.0190 32.4885 173.2376 66 A 5.3534 9.4676 121.6837 50.2199 22.2186 175.2767 67 V 4.5999 8.8724 120.4861 61.0403 34.8315 174.1045 68 S 4.8063 8.4848 122.5135 56.7495 63.7847 172.8129 69 W 4.2429 9.0907 127.7099 54.8737 31.0954 174.9279 70 E 5.1262 8.6057 124.1057 55.0098 31.2116 174.6418 71 N 4.9722 8.7730 122.1193 52.0833 39.8956 174.7759 72 S 4.4883 9.0300 112.7126 61.1931 63.0269 175.0670 73 K 4.5069 7.7280 115.6884 56.2706 34.3282 175.9753 74 I 4.3336 8.2059 121.7715 59.8121 38.9529 174.2940 75 H 5.3397 8.4521 121.1798 54.6600 32.0693 172.1977 76 S 5.0600 9.1977 117.4743 57.4856 67.2141 172.8126 77 A 5.1992 9.2951 120.8886 50.9220 22.6479 175.3396 78 T 5.0019 8.9791 118.5235 61.7576 71.7489 173.4348 79 T 5.0597 8.4240 115.0411 59.6532 72.1378 172.7370 80 W 5.1612 8.7750 124.0667 54.8433 31.9860 174.9190 81 S 5.0365 9.1890 118.7190 56.0835 65.7657 173.5336 82 G 4.3678 8.2675 111.0370 46.3091 0.0000 171.8323 83 Q 5.0386 8.5844 120.8125 54.2127 33.6817 173.8265 84 F 5.1476 9.2075 125.8747 56.6466 41.7422 174.1591 85 F 4.7264 9.1516 125.3628 55.7754 40.7273 176.2639 86 S 4.4506 8.2344 117.9352 59.2209 64.3722 175.4578 87 E 4.1433 8.2120 120.2215 58.6164 29.4352 176.5838 88 S 4.4954 7.7686 110.3283 57.3024 66.2865 175.6728 89 S 3.6566 7.9220 110.7168 57.1708 59.0532 169.2953 90 P 5.0614 0.0000 0.0000 62.7771 32.1918 175.7265 91 V 5.1746 9.1391 121.4572 60.8389 35.5630 173.1217 92 I 4.9547 9.1472 123.7176 59.8792 39.6946 174.5421 93 L 5.2354 9.2851 129.0545 53.5511 43.3659 176.0844 94 T 5.3722 9.2300 113.7585 60.1018 72.7823 172.8440 95 Q 5.1659 9.0480 121.2130 53.9521 32.5447 174.6423 96 W 5.4535 8.5836 118.0334 54.7656 32.4808 173.9114 97 L 5.1397 8.9104 120.2524 53.0468 44.9208 175.3888 98 L 4.8778 9.4397 127.3557 53.6218 43.8631 174.8675 99 S 5.1457 8.9711 124.0247 57.2561 64.5812 173.7931 100 S 5.0271 8.6510 121.4425 56.3453 64.9631 174.2429 101 S 4.3045 8.8375 119.2925 59.0733 62.4754 173.5931 102 T 4.6403 8.2830 115.3666 59.3028 72.1735 173.1928 103 A 4.1395 8.2744 124.2290 52.0648 19.0550 178.7205 104 R 3.9012 8.7169 120.5316 59.4057 30.2907 179.0145 105 G 3.7840 8.1174 104.7570 47.4655 0.0000 173.4399 106 D 4.9066 8.0610 119.4280 53.9610 41.4987 178.2313 107 V 3.5896 7.6308 122.9453 65.5773 31.6018 178.2270 108 W 4.3584 8.4041 116.0839 58.6567 27.8129 176.2825 109 E 4.0335 6.8338 115.5711 55.5575 28.9958 176.6927 110 S 4.3110 7.8561 115.0235 59.4713 63.9418 173.2200 111 T 4.9883 7.5513 117.3689 61.7495 70.6661 173.6705 112 L 4.5905 8.9838 127.7435 54.0310 43.4628 176.4830 113 V 4.4598 7.8825 120.5704 60.3313 34.5607 175.0452 114 G 3.0706 6.2331 107.9478 45.2902 0.0000 171.0503 115 N 5.4820 8.2269 116.0280 51.1672 40.4377 173.6695 116 D 5.5141 9.2270 120.7536 51.5509 45.2523 174.3948 117 S 5.3202 9.2368 117.6605 56.6963 64.7371 172.4761 118 F 5.7466 9.7186 126.7446 56.2130 41.5085 174.9688 119 T 5.5851 9.4629 112.6194 60.1992 72.5488 174.4669 120 K 3.9479 8.8955 118.9781 57.1967 32.5462 177.2789 121 T 4.4690 7.5995 115.1993 60.9026 71.4515 173.6524 122 A 3.7367 7.6158 128.8560 51.1645 18.9546 175.5885 123 P 4.3731 0.0000 0.0000 63.2693 32.2361 177.3233 124 T 4.0507 8.3280 111.2456 61.2553 68.3836 174.3564 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 2 S 8.33 4.48 0.00 3.92 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 3 D 8.04 4.71 0.00 2.82 2.55 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 4 V 8.01 3.82 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 1.30 0.00 0.00 1.17 0.00 0.00 5 Q 8.30 3.92 0.00 2.43 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 6 S 7.79 4.20 0.00 4.08 4.21 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 7 S 7.96 4.71 0.00 4.22 4.36 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 8 L 7.82 3.67 0.00 1.09 1.32 -0.47 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.31 3.87 4.27 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 1.12 0.00 0.00 10 G 7.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.65 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 0.59 0.00 0.00 12 W 8.95 5.03 0.00 2.92 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 13 Y 9.48 5.44 0.00 2.91 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 14 N 9.02 5.85 0.00 2.46 1.71 0.00 0.00 6.61 7.29 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 15 E 8.75 3.95 0.00 2.17 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 2.42 2.34 0.00 16 L 8.12 4.39 0.00 1.92 1.80 1.04 0.96 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 17 N 8.46 4.42 0.00 2.86 2.95 0.00 0.00 7.14 8.43 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 18 S 8.08 4.55 0.00 4.10 3.88 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 19 K 8.88 4.84 0.00 1.85 1.57 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 0.84 7.81 20 M 8.96 4.64 0.00 1.68 1.32 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 21 E 9.09 4.61 0.00 1.78 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 2.11 2.07 0.00 22 L 8.68 4.78 0.00 1.34 1.48 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.81 4.74 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 1.14 0.00 0.00 24 A 8.70 4.77 0.48 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 25 N 9.44 4.85 0.00 2.83 2.76 0.00 0.00 6.68 7.20 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 26 K 8.81 4.07 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 D 8.06 4.55 0.00 2.76 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 28 G 8.53 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 29 T 8.11 4.90 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 1.31 0.00 0.00 30 L 8.91 5.31 0.00 1.64 1.39 0.99 0.10 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 31 T 8.96 5.10 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 1.19 0.00 0.00 32 G 7.41 3.39 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 0.00 33 K 8.19 4.98 0.00 1.57 1.61 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.42 7.81 34 Y 9.14 4.82 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.91 5.06 0.00 1.76 1.62 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.17 4.89 0.00 4.26 3.77 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 37 K 8.65 4.40 0.00 2.01 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.70 7.81 38 V 7.47 4.35 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 0.70 0.00 0.00 0.88 0.00 0.00 39 G 8.54 3.78 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 0.00 0.00 0.00 40 D 7.80 4.42 0.00 2.60 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 41 V 6.37 4.34 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 0.49 0.00 0.00 0.62 0.00 0.00 42 Y 8.57 4.89 0.00 2.99 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 43 V 7.70 4.65 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 0.80 0.00 0.00 0.68 0.00 0.00 44 P 0.00 4.88 0.00 1.87 1.98 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 45 Y 9.01 4.73 0.00 2.66 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 46 P 0.00 5.02 0.00 2.05 2.02 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 47 L 8.74 5.18 0.00 1.93 1.75 0.66 0.72 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 48 S 8.93 4.93 0.00 3.78 3.75 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 49 G 8.69 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 0.00 0.00 0.00 0.00 50 R 8.97 5.56 0.00 1.74 1.78 0.00 3.26 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 51 Y 8.59 5.37 0.00 2.93 2.83 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 52 N 9.01 4.36 0.00 2.77 2.81 0.00 0.00 6.96 8.53 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 53 L 8.27 4.28 0.00 1.53 1.66 0.84 0.65 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 54 Q 7.55 4.56 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 55 P 0.00 4.38 0.00 2.15 2.03 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 56 P 0.00 4.31 0.00 2.34 2.02 0.00 3.60 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 2.23 2.09 0.00 57 A 8.49 4.12 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 58 G 8.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.82 4.82 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 60 G 8.28 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.20 4.16 2.38 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 1.19 0.00 0.00 1.03 0.00 0.00 62 A 8.58 4.87 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 63 L 9.01 5.00 0.00 2.05 1.90 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.19 4.72 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 0.00 0.00 0.00 65 W 8.68 6.00 0.00 3.47 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 66 A 9.47 5.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.87 4.60 1.63 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 -0.48 0.00 0.00 0.84 0.00 0.00 68 S 8.48 4.81 0.00 3.86 3.68 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 69 W 9.09 4.24 0.00 2.97 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 70 E 8.61 5.13 0.00 1.87 1.83 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 2.24 2.33 0.00 71 N 8.77 4.97 0.00 3.05 3.14 0.00 0.00 6.56 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.03 4.49 0.00 3.93 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 73 K 7.73 4.51 0.00 1.83 1.92 0.00 1.45 0.00 0.00 1.71 0.00 0.00 3.33 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.47 7.81 74 I 8.21 4.33 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.78 0.00 0.00 75 H 8.45 5.34 0.00 3.02 3.20 0.00 5.63 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 76 S 9.20 5.06 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 9.30 5.20 1.19 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 78 T 8.98 5.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 79 T 8.42 5.06 4.18 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 1.18 0.00 0.00 80 W 8.77 5.16 0.00 1.78 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 0.00 0.00 0.00 0.00 81 S 9.19 5.04 0.00 3.82 3.88 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 82 G 8.27 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.58 5.04 0.00 2.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 84 F 9.21 5.15 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.15 4.73 0.00 3.01 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 S 8.23 4.45 0.00 4.01 3.48 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 87 E 8.21 4.14 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 88 S 7.77 4.50 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.92 3.66 0.00 3.96 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 90 P 0.00 5.06 0.00 2.31 2.42 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 91 V 9.14 5.17 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 0.98 0.00 0.00 1.22 0.00 0.00 92 I 9.15 4.95 1.87 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 1.04 0.00 0.00 93 L 9.29 5.24 0.00 1.82 1.76 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.23 5.37 4.52 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 1.54 0.00 0.00 95 Q 9.05 5.17 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 96 W 8.58 5.45 0.00 2.54 2.32 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 97 L 8.91 5.14 0.00 1.50 1.54 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.44 4.88 0.00 1.46 1.68 0.75 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.97 5.15 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.65 5.03 0.00 3.64 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 0.00 101 S 8.84 4.30 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.28 4.64 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 103 A 8.27 4.14 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 0.00 104 R 8.72 3.90 0.00 1.86 1.96 0.00 3.20 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 105 G 8.12 3.78 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 0.00 0.00 0.00 106 D 8.06 4.91 0.00 2.76 2.48 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 0.00 107 V 7.63 3.59 2.13 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 1.00 0.00 0.00 0.97 0.00 0.00 108 W 8.40 4.36 0.00 3.58 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 0.00 109 E 6.83 4.03 0.00 1.26 1.12 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 1.47 1.58 0.00 110 S 7.86 4.31 0.00 4.15 4.02 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 0.00 0.00 0.00 111 T 7.55 4.99 4.21 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 1.24 0.00 0.00 112 L 8.98 4.59 0.00 1.80 1.76 0.93 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 0.00 113 V 7.88 4.46 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.69 0.00 0.00 114 G 6.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.23 5.48 0.00 2.76 2.62 0.00 0.00 5.68 8.06 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 0.00 116 D 9.23 5.51 0.00 3.20 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 0.00 0.00 0.00 0.00 117 S 9.24 5.32 0.00 3.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.72 5.75 0.00 3.04 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 0.00 119 T 9.46 5.59 4.44 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 1.42 0.00 0.00 120 K 8.90 3.95 0.00 1.66 1.66 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.93 1.09 7.81 121 T 7.60 4.47 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 1.12 0.00 0.00 122 A 7.62 3.74 0.66 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 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.37 0.00 2.20 2.09 0.00 3.92 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 2.00 2.17 0.00 124 T 8.33 4.05 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