NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4623 8.1933 115.4122 57.9402 64.8198 175.0913 2 M 3.9962 7.9711 120.9921 56.9658 31.9901 175.8291 3 Q 4.1144 8.1838 119.0981 58.2277 30.7649 175.3057 4 D 4.6647 7.7433 117.1613 51.6033 41.2030 170.6625 5 P 4.6771 0.0000 0.0000 62.2196 32.1616 176.5565 6 I 4.5189 8.1451 117.8000 59.8252 38.4929 177.3193 7 A 3.9634 8.3018 126.0130 56.5976 17.9938 179.6596 8 D 4.3680 8.2706 116.6273 56.7764 38.7162 178.4692 9 M 3.9662 7.9694 119.6518 58.4834 32.2987 177.8211 10 L 4.0030 8.1059 119.0286 56.9834 41.9823 179.3098 11 T 3.9181 7.7144 109.4482 64.9576 69.0771 176.2928 12 R 3.8734 8.2652 123.1085 58.8661 29.8298 178.2191 13 I 3.9152 7.1997 110.7274 62.9828 37.9146 177.9550 14 R 4.0713 7.4722 120.2052 59.9423 30.0749 177.1385 15 N 4.2769 8.5420 116.0340 57.2830 38.3176 177.3696 16 G 3.6359 8.1752 107.9944 48.0301 0.0000 174.8425 17 Q 4.2030 8.0163 120.0816 58.4415 29.2586 177.4888 18 A 4.1330 7.9952 121.2429 54.7340 19.6306 180.9653 19 A 4.2127 8.2629 120.5940 51.9277 16.4844 179.1394 20 N 4.3241 8.0959 117.5830 54.2878 37.8429 175.4619 21 K 4.1365 7.5840 117.2544 55.6537 33.1390 176.8232 22 A 4.6564 8.4215 122.9693 52.5339 19.3301 176.5440 23 A 5.3131 7.7309 116.1003 50.1311 22.7516 175.9208 24 V 4.5820 8.5499 118.3275 60.6398 35.2092 173.7179 25 T 5.2899 8.3233 116.6124 61.0689 70.7330 172.2661 26 M 4.7695 8.8284 123.1964 53.4807 35.0972 172.0455 27 P 4.5959 0.0000 0.0000 62.9106 32.0002 176.5782 28 S 4.4557 8.0882 117.8870 58.6652 63.4911 172.8117 29 S 4.5929 8.2422 116.0751 56.5933 65.0666 174.8069 30 K 4.0056 8.6598 124.6474 58.3595 32.1964 176.8719 31 L 4.6622 7.6516 117.9343 54.9946 44.4401 178.2784 32 K 3.9758 8.1487 118.8332 59.3939 31.8931 179.5905 33 V 3.3736 7.6526 118.8335 64.5961 31.4857 178.1498 34 A 3.9376 7.8468 120.9523 54.7884 18.1559 179.5386 35 I 3.5379 7.4856 117.6935 64.2999 37.2170 178.1857 36 A 3.7564 7.9050 121.9830 55.1758 18.0799 178.8375 37 N 4.2967 7.2243 115.1364 57.1436 38.9940 177.1224 38 V 3.6250 7.6791 119.1834 66.0539 31.6562 177.7874 39 L 4.2071 8.1922 118.9644 57.7484 41.3052 179.6541 40 K 4.1349 8.0530 118.9688 59.7358 32.1107 178.7317 41 E 4.0370 8.1201 117.9491 59.0929 29.5752 178.2222 42 E 4.1161 8.1673 118.4127 57.5688 29.5532 177.8708 43 G 3.9962 7.5204 105.5978 45.2819 0.0000 174.5958 44 F 4.3666 7.8872 119.9704 59.1000 39.0795 175.3271 45 I 4.7335 7.4873 112.3327 58.9000 39.7565 175.8501 46 E 4.2261 8.9617 123.2708 59.6071 30.0697 176.2459 47 D 4.7658 7.7848 116.7857 53.5033 44.8057 174.0463 48 F 5.4889 8.5465 115.5436 54.9901 41.2327 173.6667 49 K 4.6229 9.2923 121.2971 54.6169 36.0946 175.0886 50 V 5.1369 8.1330 122.5588 60.1232 34.5510 174.3266 51 E 4.4575 9.3572 125.0122 55.3769 33.5764 175.3284 52 G 3.9591 9.0091 115.6096 46.0431 0.0000 174.9109 53 D 4.4011 8.3035 120.0638 56.5947 39.4224 178.4954 54 T 3.9882 7.8222 112.5009 64.1489 67.6381 174.4072 55 K 4.6138 7.8799 121.2447 54.9398 33.8305 172.4962 56 P 5.0318 0.0000 0.0000 61.5868 33.9611 175.4902 57 E 4.8000 9.1999 121.0627 55.2074 32.1969 174.7688 58 L 5.0971 9.0801 124.1662 53.4375 45.0529 175.1148 59 E 5.2741 9.3796 125.1019 54.7592 33.9327 174.3823 60 L 5.1593 8.9402 124.0789 53.4192 45.5393 176.3190 61 T 4.9288 9.1105 121.7999 62.1582 67.5667 174.3698 62 L 4.4910 8.7738 126.3074 54.4407 43.4040 176.3950 63 K 4.8775 9.2455 123.2012 55.1213 31.4587 176.7146 64 Y 4.6484 8.1889 117.1958 56.5500 38.3131 175.8072 65 F 3.7660 8.2871 123.3759 60.2750 39.2915 175.3201 66 Q 2.9857 8.8773 123.7407 56.3266 27.2273 174.1924 67 G 3.9367 8.1443 104.6130 46.0215 0.0000 173.4855 68 K 4.5290 7.6047 119.3164 53.5949 34.2899 175.7736 69 A 4.2356 8.5391 128.2908 52.1489 18.7037 177.5702 70 V 3.8288 8.7707 123.7298 65.9276 31.8584 177.0943 71 V 4.3103 7.4444 112.1685 61.0404 31.8046 176.9624 72 E 4.1380 8.1996 119.7736 58.8688 29.9643 177.5936 73 S 4.4553 7.9216 111.9016 58.1420 63.7756 173.4652 74 I 4.1388 7.3997 121.8023 61.6266 38.8172 174.9032 75 Q 4.3659 8.8236 128.6300 54.5651 32.3707 173.8766 76 R 4.8688 9.0843 127.8745 55.4213 29.1818 175.8174 77 V 3.9282 8.2725 126.3074 63.4134 32.5305 177.1655 78 S 4.1596 7.5906 115.7103 57.4307 62.4056 173.0838 79 R 4.6521 8.0854 123.0327 52.8711 32.2370 173.3873 80 P 4.0560 0.0000 0.0000 64.1894 31.6412 177.0587 81 G 4.1865 8.9513 117.0930 47.0054 0.0000 174.3705 82 L 4.2772 7.4906 120.8159 53.8308 41.3690 176.4245 83 R 3.8689 7.5433 117.3715 56.9395 31.0120 177.4748 84 I 4.3465 7.6644 119.6782 59.5914 38.5508 172.3523 85 Y 5.0792 8.0297 121.9114 56.5480 39.0336 174.7972 86 K 4.7529 8.7837 124.1021 54.1380 35.9464 176.8588 87 R 4.3544 8.7720 122.6895 55.7211 30.6661 177.8780 88 K 4.2475 8.9086 118.8420 58.3693 32.2950 176.9969 89 D 4.8963 7.8768 116.8080 53.0326 40.7832 177.1011 90 E 4.0454 7.9068 118.4192 57.9257 29.7291 177.1776 91 L 4.1610 7.0015 119.1592 53.7478 42.2667 175.2185 92 P 4.5521 0.0000 0.0000 63.6959 31.6596 177.1852 93 K 4.6229 8.2124 119.8774 55.7944 33.5425 176.8918 94 V 3.8784 8.0175 112.4367 61.7561 32.7629 175.5596 95 M 2.9932 9.2267 116.4640 56.8350 29.1071 178.5025 96 A 3.7751 8.6579 117.4970 52.4038 17.1550 178.2542 97 G 4.0511 8.0484 112.5547 46.2003 0.0000 174.6636 98 L 3.9011 7.4048 122.0138 55.8419 42.3346 178.0645 99 G 3.9542 7.8766 107.2510 44.6159 0.0000 170.9130 100 I 4.8764 7.8724 110.6121 59.3479 41.5961 173.5982 101 A 4.9811 9.1403 121.9086 50.3211 23.0945 175.1850 102 V 4.6192 8.3725 118.9092 61.3339 34.0978 175.3502 103 V 4.7992 8.7948 120.7432 59.6970 35.7129 174.3651 104 S 5.0225 8.7987 115.9684 58.1379 67.5255 174.5263 105 T 4.4070 8.6936 115.6042 62.0845 70.3952 174.4918 106 S 4.1703 8.8785 116.4260 59.9473 62.1262 175.4605 107 K 4.5038 8.1256 113.7653 55.9983 34.8278 174.4004 108 G 3.7214 8.2420 106.0325 43.7196 0.0000 173.1098 109 V 4.3850 8.1921 119.2905 63.2586 32.4061 175.9823 110 M 4.7387 8.4646 123.4740 54.4867 35.1261 173.7759 111 T 4.5552 8.3413 109.4128 61.3967 69.9657 175.1397 112 D 4.3419 9.0526 124.5393 57.0618 39.0928 179.2599 113 R 3.8818 8.0664 118.4536 59.1875 30.1461 178.7360 114 A 3.9972 8.0502 119.9740 54.9318 18.3383 179.1889 115 A 3.9153 8.1788 119.4157 55.6905 18.4041 179.7477 116 R 3.8578 8.3263 116.3951 59.8004 29.9790 179.0751 117 Q 3.9823 7.9529 117.7372 58.8712 29.2637 177.4515 118 A 4.2043 8.0286 120.0489 52.6564 18.3728 177.6754 119 G 3.8289 7.7068 104.8008 46.2870 0.0000 173.3844 120 L 4.7773 7.7974 118.6458 52.4713 45.0391 177.1080 121 G 3.8767 8.5508 109.7072 45.9518 0.0000 171.7584 122 G 4.0756 8.0430 104.6271 46.0710 0.0000 171.8984 123 E 4.6189 8.4951 122.3591 55.8285 30.0179 176.9099 124 I 3.8305 8.6082 130.0499 61.0647 36.2759 177.0020 125 I 3.8987 8.3275 127.7219 63.3082 37.3767 175.0150 126 C 4.9100 8.4511 115.6084 56.9707 33.8799 172.6646 127 Y 4.5317 8.9515 119.3832 57.4196 36.9723 176.1975 128 V 3.4724 8.2151 125.9673 64.9779 32.3740 175.8926 129 A 4.5437 7.7603 126.0143 51.3594 19.0206 176.4453 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 S 8.19 4.46 0.00 4.01 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 0.00 2 M 7.97 4.00 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 3 Q 8.18 4.11 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.27 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 D 7.74 4.66 0.00 2.62 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.68 0.00 2.07 1.99 0.00 3.66 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 2.02 2.16 0.00 6 I 8.15 4.52 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.90 0.00 0.00 7 A 8.30 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.27 4.37 0.00 2.90 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 9 M 7.97 3.97 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 10 L 8.11 4.00 0.00 1.69 1.66 0.87 0.48 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 11 T 7.71 3.92 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 1.20 0.00 0.00 12 R 8.27 3.87 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 13 I 7.20 3.92 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.92 0.00 0.00 14 R 7.47 4.07 0.00 2.12 2.07 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 15 N 8.54 4.28 0.00 2.76 2.81 0.00 0.00 7.01 8.10 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 16 G 8.18 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 17 Q 8.02 4.20 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 18 A 8.00 4.13 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 19 A 8.26 4.21 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 20 N 8.10 4.32 0.00 2.87 2.95 0.00 0.00 7.21 7.61 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 21 K 7.58 4.14 0.00 1.93 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 22 A 8.42 4.66 1.13 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 0.00 0.00 23 A 7.73 5.31 1.18 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 0.00 0.00 24 V 8.55 4.58 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 0.72 0.00 0.00 0.94 0.00 0.00 25 T 8.32 5.29 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 1.22 0.00 0.00 26 M 8.83 4.77 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 27 P 0.00 4.60 0.00 1.96 2.04 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 28 S 8.09 4.46 0.00 4.04 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 29 S 8.24 4.59 0.00 3.84 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 30 K 8.66 4.01 0.00 1.73 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 31 L 7.65 4.66 0.00 1.69 1.55 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.15 3.98 0.00 1.93 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 V 7.65 3.37 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 0.79 0.00 0.00 0.96 0.00 0.00 34 A 7.85 3.94 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 35 I 7.49 3.54 1.94 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 0.69 0.85 0.00 0.00 36 A 7.90 3.76 0.63 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 0.00 0.00 37 N 7.22 4.30 0.00 2.83 2.96 0.00 0.00 6.93 7.74 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 38 V 7.68 3.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 39 L 8.19 4.21 0.00 1.94 1.83 0.90 0.86 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 40 K 8.05 4.13 0.00 2.05 2.14 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 41 E 8.12 4.04 0.00 2.18 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 2.34 2.37 0.00 42 E 8.17 4.12 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 43 G 7.52 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 0.00 0.00 0.00 44 F 7.89 4.37 0.00 3.26 3.10 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 45 I 7.49 4.73 2.11 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 1.36 0.79 1.00 0.00 0.00 46 E 8.96 4.23 0.00 2.10 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 0.00 2.41 2.48 0.00 47 D 7.78 4.77 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 5.49 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.29 4.62 0.00 1.71 1.74 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.26 7.81 50 V 8.13 5.14 2.19 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 0.85 0.00 0.00 1.09 0.00 0.00 51 E 9.36 4.46 0.00 2.16 1.89 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 2.21 2.32 0.00 52 G 9.01 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 53 D 8.30 4.40 0.00 2.78 2.87 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 54 T 7.82 3.99 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 55 K 7.88 4.61 0.00 1.72 1.65 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.38 7.81 56 P 0.00 5.03 0.00 2.18 2.17 0.00 3.75 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 2.06 2.09 0.00 57 E 9.20 4.80 0.00 1.91 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 0.00 2.28 2.25 0.00 58 L 9.08 5.10 0.00 1.71 1.64 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.38 5.27 0.00 1.97 1.81 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 2.25 2.32 0.00 60 L 8.94 5.16 0.00 1.66 1.59 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.11 4.93 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 L 8.77 4.49 0.00 1.77 1.73 1.03 0.72 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 63 K 9.25 4.88 0.00 1.81 1.76 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.48 7.81 64 Y 8.19 4.65 0.00 3.30 3.20 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 65 F 8.29 3.77 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.88 2.99 0.00 2.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 67 G 8.14 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.60 4.53 0.00 1.75 1.74 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.37 7.81 69 A 8.54 4.24 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 70 V 8.77 3.83 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 1.05 0.00 0.00 1.03 0.00 0.00 71 V 7.44 4.31 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 0.72 0.00 0.00 0.93 0.00 0.00 72 E 8.20 4.14 0.00 2.07 2.16 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 2.39 2.38 0.00 73 S 7.92 4.46 0.00 3.95 4.13 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 74 I 7.40 4.14 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.96 0.00 0.00 75 Q 8.82 4.37 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 76 R 9.08 4.87 0.00 1.85 1.86 0.00 3.35 0.00 0.00 2.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.38 0.00 77 V 8.27 3.93 2.23 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 0.70 0.00 0.00 1.11 0.00 0.00 78 S 7.59 4.16 0.00 3.80 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 79 R 8.09 4.65 0.00 1.89 1.85 0.00 3.35 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 80 P 0.00 4.06 0.00 2.05 2.06 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 81 G 8.95 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 82 L 7.49 4.28 0.00 1.59 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.54 3.87 0.00 1.45 0.82 0.00 3.35 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 84 I 7.66 4.35 1.74 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 1.16 0.66 0.87 0.00 0.00 85 Y 8.03 5.08 0.00 2.84 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 86 K 8.78 4.75 0.00 1.64 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.52 7.81 87 R 8.77 4.35 0.00 1.88 1.86 0.00 3.26 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 88 K 8.91 4.25 0.00 1.86 1.91 0.00 1.20 0.00 0.00 2.46 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 89 D 7.88 4.90 0.00 2.88 2.90 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 90 E 7.91 4.05 0.00 2.22 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 2.36 2.29 0.00 91 L 7.00 4.16 0.00 1.70 1.60 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.55 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 93 K 8.21 4.62 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.69 7.81 94 V 8.02 3.88 2.19 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 0.96 0.00 0.00 1.06 0.00 0.00 95 M 9.23 2.99 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 96 A 8.66 3.78 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 97 G 8.05 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 98 L 7.40 3.90 0.00 1.65 1.86 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.87 4.88 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 1.00 0.00 0.00 101 A 9.14 4.98 1.06 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 0.00 102 V 8.37 4.62 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 0.96 0.00 0.00 0.90 0.00 0.00 103 V 8.79 4.80 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 0.64 0.00 0.00 0.97 0.00 0.00 104 S 8.80 5.02 0.00 3.69 3.67 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 0.00 105 T 8.69 4.41 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 1.25 0.00 0.00 106 S 8.88 4.17 0.00 3.86 3.86 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 0.00 107 K 8.13 4.50 0.00 1.72 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 108 G 8.24 3.72 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 0.00 109 V 8.19 4.38 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 0.84 0.00 0.00 0.91 0.00 0.00 110 M 8.46 4.74 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 111 T 8.34 4.56 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 1.26 0.00 0.00 112 D 9.05 4.34 0.00 2.85 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.07 3.88 0.00 1.89 2.04 0.00 3.15 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 114 A 8.05 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.18 3.92 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 0.00 116 R 8.33 3.86 0.00 1.99 2.03 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 117 Q 7.95 3.98 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 118 A 8.03 4.20 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 0.00 119 G 7.71 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 0.00 0.00 0.00 120 L 7.80 4.78 0.00 1.60 1.54 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.55 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 0.00 0.00 0.00 122 G 8.04 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 0.00 123 E 8.50 4.62 0.00 2.22 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 2.28 2.25 0.00 124 I 8.61 3.83 1.71 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 1.30 0.83 0.50 0.00 0.00 125 I 8.33 3.90 1.96 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 1.34 1.57 0.85 0.00 0.00 126 C 8.45 4.91 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.95 4.53 0.00 2.95 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 0.00 128 V 8.22 3.47 1.78 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 -0.20 0.00 0.00 0.73 0.00 0.00 129 A 7.76 4.54 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