NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4047 8.3044 120.3280 54.7025 33.4541 174.3735 2 E 3.7905 8.3532 121.2577 54.9861 30.1381 174.6300 3 A 3.9933 9.4635 129.8244 52.6887 19.6527 176.9377 4 L 3.9855 8.5930 123.5714 56.2457 41.8822 178.4372 5 G 3.8487 9.8786 104.4290 45.1724 0.0000 172.3699 6 A 4.6618 7.4786 117.0570 50.8122 22.2777 176.3374 7 D 4.7454 8.8151 121.3349 53.1541 42.4746 175.7427 8 V 4.5677 8.4380 123.5983 61.4483 33.7964 175.1782 9 T 4.4312 7.7864 122.3626 61.7508 69.1370 174.3316 10 Q 3.9238 8.8389 126.0974 56.9050 28.7741 177.4635 11 G 3.9630 9.0819 110.8274 46.5250 0.0000 172.7890 12 L 5.0479 8.3949 120.7504 52.9726 45.7080 175.0572 13 E 5.1255 8.2860 118.6037 53.9475 34.5969 175.0828 14 K 4.2150 8.2586 122.3974 58.0920 32.2760 177.0132 15 G 4.0433 9.2411 115.5134 44.9964 0.0000 173.7940 16 S 4.3119 8.0771 116.8674 58.5124 64.1799 173.2431 17 L 5.0989 8.4358 123.9759 53.4558 42.6914 175.7690 18 I 4.6579 8.9012 117.2588 59.0374 41.6570 174.5750 19 T 4.4486 8.5944 119.1689 63.2510 69.9645 174.2586 20 C 4.7743 8.5630 126.5155 57.3569 31.2098 174.0269 21 A 4.5389 8.2862 134.1948 49.8434 15.9731 174.6077 22 D 4.7867 7.6666 120.1728 52.6550 42.9079 176.4100 23 N 4.9599 8.5060 114.1853 53.2343 37.4301 176.6963 24 T 3.8685 8.2068 112.1920 64.1319 69.1685 174.8508 25 G 3.9586 8.2858 107.9321 45.0051 0.0000 172.4483 26 A 4.8233 7.4589 122.2090 50.6838 20.8925 176.4711 27 R 4.4054 8.9251 122.1777 57.4928 32.2146 176.0171 28 E 5.1550 8.0435 119.1264 54.2238 32.6856 174.2751 29 L 5.2677 8.9815 126.1819 52.7582 45.5503 175.1823 30 K 4.9517 8.9226 123.4757 54.3294 34.8311 175.3506 31 V 3.8462 8.6723 128.6991 63.6866 31.9575 175.3920 32 I 4.2438 8.6494 128.2011 62.7558 38.5365 175.9466 33 S 4.7649 7.7712 115.3315 56.9920 68.3412 172.5058 34 V 4.6429 8.1127 120.3516 60.9976 33.9919 174.3861 35 H 4.3252 8.9759 128.5615 57.6288 30.0619 175.6893 36 G 3.9134 8.6783 114.0716 45.7225 0.0000 172.6537 37 Y 4.3336 7.5837 120.3321 56.7882 39.6830 175.0074 38 S 4.2646 7.1072 120.3878 57.0526 65.3285 173.5352 39 G 3.9693 8.1450 126.3437 45.7189 0.0000 171.6913 40 T 4.6134 8.0950 116.9854 59.5616 70.9051 172.9746 41 K 4.0308 8.4236 125.1608 58.0144 32.3228 176.8542 42 N 4.5631 8.9876 121.8735 53.5212 37.1690 174.5299 43 R 4.0625 7.5229 118.6059 56.0683 30.6377 175.4179 44 H 4.5349 8.7312 123.1816 54.4127 29.5566 173.1208 45 P 4.4261 0.0000 0.0000 63.2764 31.8697 175.3057 46 K 4.8023 8.0074 123.9948 55.5749 34.2261 175.8482 47 A 4.6799 9.0111 124.7076 50.4906 22.7173 175.5101 48 G 4.0053 8.8789 106.3655 44.8169 0.0000 171.2928 49 L 4.1467 8.2120 122.0699 56.8495 42.0729 177.9110 50 G 4.1128 8.8159 114.5331 45.2518 0.0000 172.6127 51 D 4.8386 7.8785 120.2667 53.2139 42.8704 175.4944 52 K 4.6915 8.7425 124.4361 55.6303 33.5800 175.3056 53 I 5.0004 8.8785 121.2149 59.3513 41.1543 174.6322 54 T 4.7824 8.8355 121.2869 62.9277 70.1122 174.3415 55 V 5.0007 9.1277 124.4656 60.0231 35.7435 174.0452 56 S 5.0609 8.9610 115.8219 56.4980 65.8193 172.9710 57 V 4.3754 8.2008 126.2757 62.5471 31.8442 176.3557 58 T 4.0195 8.8388 125.7284 65.8827 68.7744 175.2800 59 K 4.5578 8.8453 120.0936 53.5811 35.4889 176.4910 60 G 4.2067 8.0002 109.6665 46.0863 0.0000 171.5504 61 T 4.1255 7.7846 110.4169 60.5870 68.2164 173.7017 62 P 4.1517 0.0000 0.0000 66.3218 31.0725 178.5996 63 E 4.2856 8.0992 115.6892 58.9878 29.6644 178.2263 64 M 4.2498 8.1899 118.3984 55.9746 32.6343 176.9236 65 R 4.0200 6.7350 116.6669 57.4178 30.6640 177.1728 66 R 3.9646 8.4084 118.9187 56.6269 28.9739 176.4851 67 Q 4.2969 7.4869 116.6967 55.3667 30.4244 175.3508 68 V 4.4440 8.3321 123.0608 61.5988 32.5254 174.4556 69 L 4.9565 8.4873 127.2502 52.7624 46.2247 175.9123 70 E 4.8215 8.5591 118.9042 56.2273 31.5359 175.4083 71 A 4.9316 8.9788 122.7502 50.9754 23.6570 175.1152 72 V 4.4703 8.2698 118.9506 60.7586 34.5991 174.8996 73 V 3.8499 8.4061 128.5303 63.1158 31.5710 176.2091 74 V 4.0883 9.0321 128.2355 63.6963 33.7974 175.5207 75 R 4.0653 7.4188 117.3293 54.2363 34.8505 174.2324 76 Q 4.9255 8.0487 117.8125 55.2080 31.4145 175.8578 77 R 4.2011 9.4257 121.7705 59.0405 30.4681 177.5404 78 K 4.2464 7.8880 118.9608 55.3572 31.5930 175.3741 79 P 4.8566 0.0000 0.0000 62.9369 32.8135 175.0871 80 I 4.8116 8.5115 115.0073 59.1317 41.5372 173.9352 81 R 5.0659 9.0565 123.7793 54.8063 32.3023 175.2953 82 R 4.7530 8.6255 125.2632 54.4279 31.6442 175.9480 83 P 4.2482 0.0000 0.0000 65.5879 31.4580 176.9423 84 D 4.6572 8.0925 115.9991 53.1190 39.4493 176.0288 85 G 4.2478 8.2818 111.3177 46.2048 0.0000 175.1215 86 T 3.9791 7.2988 115.5323 64.1381 69.4803 173.8694 87 R 5.0976 8.4665 123.7698 54.8805 32.4030 175.8892 88 V 4.4970 8.5631 121.8566 60.9518 34.6785 174.4305 89 K 4.9123 8.3310 125.2778 55.3582 35.8866 175.2741 90 F 4.6943 8.5729 120.2589 55.7879 41.0833 175.7930 91 E 4.1168 9.0380 120.5473 58.7651 29.6329 175.1510 92 D 4.9350 7.7740 115.4444 52.0617 43.3903 173.9196 93 N 5.1656 8.6739 114.7528 51.7102 40.8326 174.2650 94 A 5.2303 8.8421 124.4568 50.3953 23.4505 174.4237 95 A 4.9659 9.1541 120.2866 50.2748 23.5380 175.2339 96 V 4.5818 8.3050 119.6288 60.7612 34.2447 175.2794 97 I 4.2065 8.3145 129.3731 61.5907 38.0382 175.3344 98 V 4.8901 8.5414 125.4716 61.4434 35.3750 174.6631 99 D 4.9947 8.3931 124.1785 51.6433 41.8947 176.3542 100 E 3.9457 8.8753 117.2426 59.9784 28.0986 177.6660 101 N 4.7621 8.6198 114.5890 52.8462 38.5971 175.3831 102 E 3.9834 7.8853 114.8245 57.4060 27.8468 173.8726 103 D 5.1081 7.6726 117.8132 51.0374 42.3777 174.6657 104 P 4.7136 0.0000 0.0000 62.8689 31.8602 176.6320 105 R 3.9985 8.3896 121.3077 58.7484 30.5952 176.8038 106 G 4.1451 7.6312 106.8389 44.8452 0.0000 172.1944 107 T 4.4231 9.1138 113.6082 63.9879 71.2430 174.1211 108 E 4.7485 8.2689 119.8696 54.3688 32.5058 175.0787 109 L 4.9081 8.4066 123.7128 53.0141 43.4099 176.2225 110 K 4.1470 8.2579 124.1556 56.6948 32.9873 178.1537 111 G 3.9597 8.8735 113.2013 43.8070 0.0000 170.8972 112 P 4.8618 0.0000 0.0000 62.8754 32.4659 175.5287 113 I 4.7522 8.3316 119.2281 59.4219 41.8655 174.7207 114 A 5.0674 8.0779 126.8498 51.4449 19.3710 179.2753 115 R 3.9337 9.0435 118.6173 59.3644 28.9070 179.4378 116 E 4.0171 8.1800 119.1810 59.2268 29.5534 179.1016 117 V 3.7778 7.7921 118.3336 65.6382 31.3174 178.0556 118 A 4.0478 7.9238 119.7703 55.0885 18.4094 178.8376 119 Q 4.0178 7.6762 117.1899 59.1193 29.1601 178.3247 120 R 3.9654 7.4732 118.0689 58.0584 31.0185 177.6224 121 F 4.7876 7.9602 123.7934 55.2845 39.1870 176.3994 122 G 3.6959 8.4016 111.2789 47.6959 0.0000 172.8787 123 S 4.3054 8.1077 115.5814 60.4308 62.9715 176.2837 124 V 3.7162 7.7819 120.9707 65.2641 31.7204 177.3382 125 A 4.1697 7.7928 120.6306 54.7935 18.9251 179.0760 126 S 4.6804 7.9369 110.8172 57.2282 62.7035 174.3296 127 A 4.5139 7.4646 118.6460 53.5125 24.5301 176.8285 128 A 4.4196 7.8452 119.4708 51.8013 19.7239 177.6965 129 T 4.1461 8.5547 119.1399 66.1399 69.2434 174.8880 130 M 4.7715 7.8549 120.1978 53.4516 34.9435 174.5993 131 I 4.7862 8.4375 123.4946 59.6307 40.3574 175.6295 132 V 4.0490 9.0130 127.2135 62.8688 31.5802 175.3744 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 8.30 4.40 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 2 E 8.35 3.79 0.00 1.93 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 0.00 2.24 2.33 0.00 3 A 9.46 3.99 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 4 L 8.59 3.99 0.00 1.66 1.77 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.48 4.66 1.24 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 0.00 0.00 0.00 7 D 8.82 4.75 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.44 4.57 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 0.86 0.00 0.00 0.97 0.00 0.00 9 T 7.79 4.43 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 10 Q 8.84 3.92 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 11 G 9.08 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 12 L 8.39 5.05 0.00 1.56 1.50 0.88 0.63 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 13 E 8.29 5.13 0.00 1.86 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 0.00 2.28 2.27 0.00 14 K 8.26 4.22 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 15 G 9.24 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 0.00 0.00 0.00 0.00 16 S 8.08 4.31 0.00 4.05 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 17 L 8.44 5.10 0.00 1.51 1.59 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.90 4.66 1.95 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 1.30 1.31 0.88 0.00 0.00 19 T 8.59 4.45 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 1.19 0.00 0.00 20 C 8.56 4.77 0.00 2.96 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 21 A 8.29 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 22 D 7.67 4.79 0.00 2.60 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 23 N 8.51 4.96 0.00 2.73 2.92 0.00 0.00 6.03 7.71 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 24 T 8.21 3.87 4.22 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 1.24 0.00 0.00 25 G 8.29 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 26 A 7.46 4.82 1.23 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 0.00 0.00 27 R 8.93 4.41 0.00 1.88 1.95 0.00 3.06 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 28 E 8.04 5.15 0.00 1.99 1.82 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 2.24 2.39 0.00 29 L 8.98 5.27 0.00 1.54 1.48 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.92 4.95 0.00 1.73 1.61 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.32 7.81 31 V 8.67 3.85 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 0.84 0.00 0.00 0.95 0.00 0.00 32 I 8.65 4.24 1.86 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 1.22 0.90 0.91 0.00 0.00 33 S 7.77 4.76 0.00 3.73 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 34 V 8.11 4.64 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 0.98 0.00 0.00 0.85 0.00 0.00 35 H 8.98 4.33 0.00 3.18 3.37 0.00 6.07 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 36 G 8.68 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 0.00 0.00 0.00 0.00 37 Y 7.58 4.33 0.00 2.96 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 38 S 7.11 4.26 0.00 3.69 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 39 G 8.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.09 4.61 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 1.23 0.00 0.00 41 K 8.42 4.03 0.00 1.76 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 N 8.99 4.56 0.00 2.95 3.02 0.00 0.00 7.03 7.66 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 43 R 7.52 4.06 0.00 1.82 2.06 0.00 3.38 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.73 4.53 0.00 3.24 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.43 0.00 2.10 2.41 0.00 3.72 0.00 0.00 4.04 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 46 K 8.01 4.80 0.00 1.65 1.75 0.00 1.50 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.15 1.12 7.81 47 A 9.01 4.68 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 48 G 8.88 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 0.00 0.00 0.00 49 L 8.21 4.15 0.00 1.67 1.66 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.82 4.11 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 0.00 0.00 0.00 51 D 7.88 4.84 0.00 2.76 2.61 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 52 K 8.74 4.69 0.00 1.98 1.74 0.00 1.59 0.00 0.00 1.95 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 53 I 8.88 5.00 1.92 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 1.16 1.02 0.88 0.00 0.00 54 T 8.84 4.78 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 55 V 9.13 5.00 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 0.72 0.00 0.00 0.94 0.00 0.00 56 S 8.96 5.06 0.00 3.85 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 57 V 8.20 4.38 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 0.92 0.00 0.00 0.91 0.00 0.00 58 T 8.84 4.02 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 59 K 8.85 4.56 0.00 1.66 1.65 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.00 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 0.00 0.00 0.00 61 T 7.78 4.13 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 1.24 0.00 0.00 62 P 0.00 4.15 0.00 2.17 2.18 0.00 3.58 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 2.12 2.21 0.00 63 E 8.10 4.29 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 64 M 8.19 4.25 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 65 R 6.73 4.02 0.00 1.95 1.86 0.00 3.25 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 66 R 8.41 3.96 0.00 1.99 2.08 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.49 4.30 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 68 V 8.33 4.44 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 0.80 0.00 0.00 0.92 0.00 0.00 69 L 8.49 4.96 0.00 1.59 1.47 0.90 0.81 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 70 E 8.56 4.82 0.00 1.88 1.79 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 2.35 2.29 0.00 71 A 8.98 4.93 1.10 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 0.00 0.00 72 V 8.27 4.47 1.69 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 0.56 0.00 0.00 -0.20 0.00 0.00 73 V 8.41 3.85 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 0.85 0.00 0.00 0.91 0.00 0.00 74 V 9.03 4.09 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 0.76 0.00 0.00 0.85 0.00 0.00 75 R 7.42 4.07 0.00 1.52 1.19 0.00 3.12 0.00 0.00 3.50 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.25 0.00 76 Q 8.05 4.93 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 77 R 9.43 4.20 0.00 1.92 2.07 0.00 3.18 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 78 K 7.89 4.25 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.55 7.81 79 P 0.00 4.86 0.00 2.12 1.95 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 80 I 8.51 4.81 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.00 0.00 0.00 81 R 9.06 5.07 0.00 1.84 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 82 R 8.63 4.75 0.00 1.93 1.91 0.00 3.20 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 83 P 0.00 4.25 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.84 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 84 D 8.09 4.66 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.28 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 0.00 0.00 0.00 0.00 86 T 7.30 3.98 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 1.19 0.00 0.00 87 R 8.47 5.10 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.56 4.50 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 0.69 0.00 0.00 0.88 0.00 0.00 89 K 8.33 4.91 0.00 1.89 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.38 7.81 90 F 8.57 4.69 0.00 3.20 3.06 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 91 E 9.04 4.12 0.00 1.98 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 2.32 2.26 0.00 92 D 7.77 4.94 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.67 5.17 0.00 2.62 2.73 0.00 0.00 6.46 7.14 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 94 A 8.84 5.23 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.15 4.97 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 96 V 8.30 4.58 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 0.97 0.00 0.00 0.87 0.00 0.00 97 I 8.31 4.21 1.83 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 1.07 0.94 0.91 0.00 0.00 98 V 8.54 4.89 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 0.69 0.00 0.00 0.83 0.00 0.00 99 D 8.39 4.99 0.00 2.92 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 0.00 100 E 8.88 3.95 0.00 1.98 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 2.32 2.35 0.00 101 N 8.62 4.76 0.00 2.77 2.82 0.00 0.00 7.02 6.99 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 0.00 102 E 7.89 3.98 0.00 2.27 2.26 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 2.38 2.34 0.00 103 D 7.67 5.11 0.00 3.12 2.57 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 0.00 104 P 0.00 4.71 0.00 2.15 2.02 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 105 R 8.39 4.00 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.63 4.15 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 0.00 0.00 0.00 107 T 9.11 4.42 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 0.00 108 E 8.27 4.75 0.00 1.88 1.82 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 2.29 2.29 0.00 109 L 8.41 4.91 0.00 1.50 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.26 4.15 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.38 7.81 111 G 8.87 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 0.00 112 P 0.00 4.86 0.00 2.28 2.17 0.00 3.76 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 2.15 2.12 0.00 113 I 8.33 4.75 1.89 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 1.10 0.62 0.93 0.00 0.00 114 A 8.08 5.07 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 0.00 115 R 9.04 3.93 0.00 2.08 2.25 0.00 2.79 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 116 E 8.18 4.02 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 2.48 2.50 0.00 117 V 7.79 3.78 2.24 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 1.20 0.00 0.00 0.97 0.00 0.00 118 A 7.92 4.05 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 0.00 119 Q 7.68 4.02 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 120 R 7.47 3.97 0.00 1.83 1.37 0.00 3.13 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.38 0.00 121 F 7.96 4.79 0.00 3.19 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 0.00 122 G 8.40 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 0.00 123 S 8.11 4.31 0.00 4.08 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 0.00 124 V 7.78 3.72 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 0.85 0.00 0.00 0.90 0.00 0.00 125 A 7.79 4.17 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 0.00 126 S 7.94 4.68 0.00 4.02 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 0.00 127 A 7.46 4.51 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 0.00 128 A 7.85 4.42 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 0.00 129 T 8.55 4.15 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 0.00 130 M 7.85 4.77 0.00 1.97 1.97 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 2.60 2.55 0.00 131 I 8.44 4.79 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.95 0.00 0.00 132 V 9.01 4.05 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 0.89 0.00 0.00 1.00 0.00 0.00