NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4117 8.2893 120.3486 55.3645 33.0626 174.7233 2 N 4.6596 8.5812 124.0670 51.4706 38.9207 173.0051 3 I 4.6033 8.7861 121.0742 59.6002 41.9724 176.2678 4 I 4.3693 8.3303 123.8619 59.6215 38.4946 175.1621 5 K 4.4463 8.6078 124.8372 54.3954 34.0641 176.2377 6 A 4.5640 8.3905 126.4353 50.8075 20.8784 175.0574 7 N 5.0610 8.2028 117.0401 51.9122 41.3870 175.0250 8 V 3.8264 8.2037 114.7327 62.8653 32.2545 176.8217 9 A 4.1751 8.0198 123.5453 52.0929 18.7352 177.9269 10 A 4.6146 8.2492 121.8357 51.2419 21.6773 174.1599 11 P 4.7795 0.0000 0.0000 64.9056 32.1571 178.8783 12 D 4.5098 8.0837 115.5769 54.2959 40.5103 175.7245 13 A 4.6793 7.7055 124.7515 51.6749 20.4715 178.2549 14 R 4.8106 9.5231 120.5537 55.1304 32.6838 175.8598 15 V 4.9359 8.7865 124.4388 60.0082 34.8209 173.9728 16 A 4.8262 8.4984 128.5268 50.0793 21.4974 175.2017 17 I 4.8047 8.7225 123.8603 59.5948 39.5448 174.6914 18 T 4.8203 8.5882 117.8992 59.9927 70.7911 173.4734 19 I 5.1974 8.3311 126.4557 58.1826 40.6001 174.5112 20 A 4.9977 8.4477 127.9873 51.3637 18.9996 177.9932 21 R 4.4290 9.3838 119.8580 58.5485 30.2124 177.0232 22 F 4.6147 8.2325 121.3776 59.8970 39.7016 174.3292 23 N 4.6643 9.8639 123.9153 54.5286 35.5750 176.1580 24 Q 4.1736 8.3387 120.3899 59.4189 28.0897 177.8817 25 F 4.0037 8.5128 121.5615 61.1302 39.4321 176.4136 26 I 4.1892 8.2410 118.7381 63.7828 37.7049 177.7648 27 N 4.3694 8.2868 116.6415 56.2949 38.2670 176.9482 28 D 4.5679 8.7367 120.7808 57.6272 41.0078 178.7917 29 S 4.0571 7.9593 112.9753 61.0820 62.4372 175.4142 30 L 4.0536 7.8340 123.2206 58.7071 41.6325 178.3344 31 L 3.8679 8.4107 120.5436 57.6169 41.9192 178.6685 32 D 4.4967 8.5320 118.5600 57.2997 40.9835 179.7806 33 G 3.5757 8.1404 105.8302 47.7583 0.0000 175.3458 34 A 3.9189 7.8142 123.4149 54.6456 18.4855 179.4569 35 V 3.4569 7.9234 116.7812 66.2452 31.6143 177.3176 36 D 4.3017 8.2217 117.3683 57.8066 40.9301 177.6756 37 A 3.9007 8.4025 120.8263 55.8954 18.3654 179.0451 38 L 3.8313 8.5309 116.0844 59.3946 41.8721 179.8497 39 T 4.2264 8.3376 110.8930 64.0732 68.5804 176.2174 40 R 3.8701 8.2174 123.5663 58.1919 30.3666 178.3419 41 I 4.2548 7.8229 118.0650 63.3705 38.2299 177.7224 42 G 3.8236 7.8365 103.6482 44.1847 0.0000 173.8365 43 Q 3.6952 8.0909 120.9042 56.5873 28.2527 172.7947 44 V 3.9408 7.4527 116.3419 61.8718 32.2028 175.1740 45 K 4.1867 8.5650 128.8324 56.2338 32.5815 176.5918 46 D 4.6714 8.8001 124.3985 54.0148 39.1560 176.1901 47 D 4.7866 7.9822 117.2401 53.7591 40.1865 176.3296 48 N 4.7212 8.4870 117.7843 53.6285 39.3923 174.0874 49 I 4.9590 7.5928 120.2407 60.2778 38.4018 175.1868 50 T 4.7166 8.9496 117.6241 59.6998 71.8867 173.0421 51 V 4.6185 8.3927 123.5094 61.0557 34.1978 174.5249 52 V 4.3244 9.0550 128.8593 60.8323 33.7893 174.4184 53 W 4.9616 9.0111 129.0278 56.4268 29.6059 176.4957 54 V 4.3601 8.6721 119.1327 59.1429 33.5601 174.8013 55 P 4.3271 0.0000 0.0000 65.1731 31.3560 176.9151 56 G 4.4879 7.9842 108.6512 42.9290 0.0000 174.1764 57 A 4.0606 8.4983 120.8645 54.8679 18.0921 179.3148 58 Y 4.1969 8.1775 117.1271 60.7630 39.2242 177.5130 59 E 4.1177 8.2813 119.1795 58.1383 29.5990 178.7210 60 L 3.8781 7.5271 119.4726 58.1226 41.5995 177.0331 61 P 4.1809 0.0000 0.0000 64.7579 31.1149 177.9756 62 L 3.9374 7.7043 117.9462 58.4762 42.2499 179.3280 63 A 3.9829 7.8082 120.0915 55.6243 18.3523 179.8247 64 T 3.8712 8.1892 108.3472 64.4043 68.7706 176.3447 65 E 3.8426 9.0179 123.3404 59.1898 29.6560 178.2255 66 A 4.0064 8.0129 120.6782 55.6433 18.1789 179.5730 67 L 4.0932 7.5652 114.8322 57.9120 41.9757 179.5392 68 A 4.2192 8.2630 120.7000 55.1995 18.2304 179.8223 69 K 3.9297 8.1468 116.0316 59.6461 32.1321 179.0184 70 S 4.2030 8.1091 112.9308 59.4591 62.2737 175.8308 71 G 4.0096 8.3905 108.2611 45.6561 0.0000 175.4591 72 K 3.7539 7.6209 118.0108 58.2497 32.1653 176.6285 73 Y 5.0315 6.9283 115.4257 56.1764 40.6250 175.3911 74 D 4.7213 9.2213 122.0230 56.2481 41.8828 176.5369 75 A 4.5522 7.4373 117.0482 51.1661 22.5107 175.0895 76 V 4.7625 8.2267 120.1983 61.0388 34.4991 174.5158 77 V 4.3442 8.8652 128.3128 61.5625 33.2891 174.1911 78 A 4.9110 8.5656 130.2789 49.7253 20.7933 175.2072 79 L 5.3004 7.8762 123.2034 52.7463 44.3969 176.3970 80 G 4.2371 7.7404 108.4303 45.9463 0.0000 171.8604 81 T 5.0849 8.5051 115.8888 61.5289 72.1195 174.3816 82 V 4.2220 9.0424 125.0692 61.3554 34.1575 173.9001 83 I 4.6844 8.2033 128.7441 59.6233 38.6505 175.9916 84 R 3.6528 8.4815 127.8188 56.5792 30.2855 176.3490 85 G 4.4033 8.3458 116.1967 44.2621 0.0000 172.9565 86 G 3.6430 8.7699 107.6225 47.4527 0.0000 173.2906 87 T 4.5400 7.5905 108.2761 59.6728 71.6373 173.4652 88 A 4.4640 8.3709 121.3188 52.7319 18.7793 178.6230 89 H 4.2786 8.3085 120.0632 60.2487 29.7134 176.8811 90 F 4.0334 8.4705 121.9354 61.5170 39.0001 176.5745 91 E 3.5970 7.9436 118.2432 59.5905 29.3577 178.4328 92 Y 4.3056 7.4095 115.9064 60.7892 38.2360 177.5624 93 V 3.6671 7.7103 119.3346 65.9185 31.5792 177.8086 94 A 4.0851 7.8061 120.1951 55.2387 18.0832 179.6001 95 G 3.6363 8.1418 104.7479 47.6839 0.0000 176.0437 96 G 3.8845 8.6726 108.3329 45.8634 0.0000 174.7677 97 A 4.2611 7.8365 122.5304 54.3715 19.6575 179.1079 98 S 4.1652 8.2685 111.8808 61.8991 62.3557 176.2620 99 N 4.4523 8.4758 119.2688 55.9030 38.3118 177.4464 100 G 3.6960 7.7113 106.1869 48.0298 0.0000 175.4741 101 L 3.9862 8.0628 121.7203 57.2459 41.7822 179.6228 102 A 3.9759 7.9906 120.5688 55.0728 18.2847 179.5292 103 S 3.9419 8.2780 111.7620 61.5425 62.4557 176.1804 104 V 3.5525 7.7252 120.6860 66.2470 31.1475 177.6969 105 A 4.3621 7.8746 121.3653 54.8163 18.0021 179.4247 106 Q 3.9117 7.7150 116.5950 59.1832 29.1362 177.8226 107 D 4.5328 8.0457 119.4016 56.9929 41.2750 178.5127 108 S 4.3432 8.2925 112.9169 58.7425 63.4420 175.5866 109 G 3.8890 8.0580 109.4231 45.7266 0.0000 173.7373 110 V 3.9804 7.5873 120.9885 61.5796 33.0812 173.6199 111 P 4.5618 0.0000 0.0000 62.6772 32.5147 175.1880 112 V 4.9239 8.3757 123.3441 61.0230 34.1619 174.2209 113 A 4.4438 8.9134 130.4185 50.9751 20.4009 176.2301 114 F 4.7955 9.0240 126.6643 56.2214 38.4651 175.8320 115 G 3.9736 8.0975 117.8681 44.8218 0.0000 170.8991 116 V 4.5103 6.0865 117.5013 60.5935 33.8180 176.1031 117 L 4.2576 8.7512 129.5844 55.1666 42.7684 176.6582 118 T 4.8915 8.5442 113.0404 59.9113 69.1193 172.6981 119 T 4.5977 8.6802 121.3634 60.9464 71.8968 175.1721 120 E 4.0908 9.8711 121.0115 57.4034 30.4117 177.3595 121 S 4.7094 7.5986 111.9452 55.5432 67.6260 174.7679 122 I 3.6714 8.2584 123.3459 64.3747 36.6085 177.8869 123 E 3.9165 8.2156 118.8659 59.8357 29.7127 178.6447 124 Q 4.2882 8.1937 117.3098 58.8405 28.7737 178.6592 125 A 4.0229 7.8031 121.7913 55.4386 18.1358 179.7695 126 I 3.7705 7.9160 118.1328 64.6061 37.1042 178.5533 127 E 4.5553 8.0706 120.2997 58.0906 29.2655 178.4129 128 R 4.5360 8.0241 115.8229 55.7068 30.5736 176.7341 129 A 4.8278 7.1779 121.5024 52.6924 19.4981 177.0016 130 G 4.4592 7.8752 107.9784 48.1755 0.0000 175.4845 131 T 4.6423 7.5137 115.6017 60.1192 68.7257 175.6857 132 K 3.7838 9.2708 117.0535 59.2987 31.7335 177.7007 133 A 4.5802 7.8164 119.4272 52.0276 20.0790 178.8824 134 G 3.7518 8.1031 110.4425 47.3845 0.0000 173.9637 135 N 5.3002 8.2233 117.0180 50.8138 40.7235 175.3943 136 K 3.9594 8.9699 128.6462 59.2115 32.1199 178.8277 137 G 4.0583 8.2855 107.6300 47.3505 0.0000 175.5821 138 A 4.0412 7.8782 123.3029 54.3068 18.4401 179.2513 139 E 3.8554 8.3798 117.9535 59.3776 29.7501 178.8959 140 A 4.0642 8.6567 122.4435 54.3793 18.3843 179.4744 141 A 3.8886 8.1889 119.5170 55.2399 18.3986 179.8818 142 L 3.9028 8.0461 117.7201 58.2529 41.3569 179.9020 143 T 3.8302 8.1132 109.3813 64.6090 68.4207 176.1895 144 A 3.9809 7.8821 123.7031 55.0372 18.5008 179.0980 145 L 3.8624 7.8081 117.1079 58.2059 41.7944 179.2924 146 E 4.0929 8.3870 118.8784 59.9500 29.4130 178.8624 147 M 4.0566 8.0759 118.3125 58.4081 31.9256 178.4980 148 I 3.6996 7.6619 119.8932 64.7589 37.3586 178.1956 149 N 4.3084 7.9757 116.3784 56.3036 38.1820 177.5219 150 V 3.6217 7.9346 118.8523 66.0933 31.7252 177.9108 151 L 4.0827 8.3256 118.7888 57.8244 41.3872 179.0737 152 K 3.8136 8.0462 118.2157 59.6328 32.0632 177.4301 153 A 4.4440 8.3222 120.1868 51.6871 19.1521 177.2807 154 I 3.8981 7.8686 121.0355 63.1607 37.7109 174.0007 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.79 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.56 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 7 N 8.20 5.06 0.00 2.66 2.68 0.00 0.00 7.00 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 8 V 8.20 3.83 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 0.74 0.00 0.00 0.93 0.00 0.00 9 A 8.02 4.18 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 10 A 8.25 4.61 1.20 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 0.00 0.00 11 P 0.00 4.78 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.51 0.00 2.69 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 13 A 7.71 4.68 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 14 R 9.52 4.81 0.00 1.42 1.78 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.79 4.94 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 0.94 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.83 0.27 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 17 I 8.72 4.80 1.68 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 1.16 0.87 0.69 0.00 0.00 18 T 8.59 4.82 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 1.09 0.00 0.00 19 I 8.33 5.20 0.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.17 0.34 0.00 0.00 20 A 8.45 5.00 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 21 R 9.38 4.43 0.00 2.08 2.51 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.23 4.61 0.00 3.16 2.99 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 23 N 9.86 4.66 0.00 2.97 3.00 0.00 0.00 6.88 8.05 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 24 Q 8.34 4.17 0.00 2.53 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 4.00 0.00 3.12 3.18 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 26 I 8.24 4.19 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 0.95 0.00 0.00 27 N 8.29 4.37 0.00 2.87 2.91 0.00 0.00 7.08 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.74 4.57 0.00 2.65 2.73 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 29 S 7.96 4.06 0.00 3.81 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 30 L 7.83 4.05 0.00 1.91 1.63 0.95 0.60 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 31 L 8.41 3.87 0.00 1.77 1.76 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.53 4.50 0.00 2.87 2.70 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 33 G 8.14 3.58 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 0.00 0.00 0.00 34 A 7.81 3.92 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 35 V 7.92 3.46 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 0.97 0.00 0.00 0.94 0.00 0.00 36 D 8.22 4.30 0.00 2.84 2.89 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 37 A 8.40 3.90 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 38 L 8.53 3.83 0.00 1.86 1.72 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.34 4.23 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 1.28 0.00 0.00 40 R 8.22 3.87 0.00 1.84 2.24 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.82 4.25 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.91 0.00 0.00 42 G 7.84 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 0.00 0.00 0.00 43 Q 8.09 3.70 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.45 3.94 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 0.93 0.00 0.00 1.03 0.00 0.00 45 K 8.56 4.19 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.67 0.00 2.83 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 47 D 7.98 4.79 0.00 2.79 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 48 N 8.49 4.72 0.00 2.88 2.99 0.00 0.00 6.92 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 49 I 7.59 4.96 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.95 4.72 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 51 V 8.39 4.62 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 9.06 4.32 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.01 4.96 0.00 3.20 3.19 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 54 V 8.67 4.36 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 0.75 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.98 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 0.00 0.00 0.00 0.00 57 A 8.50 4.06 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 58 Y 8.18 4.20 0.00 2.93 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 59 E 8.28 4.12 0.00 2.00 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 2.65 2.58 0.00 60 L 7.53 3.88 0.00 1.79 1.69 0.89 0.69 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 61 P 0.00 4.18 0.00 2.02 1.85 0.00 3.66 0.00 0.00 3.63 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 62 L 7.70 3.94 0.00 1.63 1.67 0.92 0.91 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 63 A 7.81 3.98 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 64 T 8.19 3.87 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 1.28 0.00 0.00 65 E 9.02 3.84 0.00 1.96 2.17 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 2.31 2.33 0.00 66 A 8.01 4.01 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 67 L 7.57 4.09 0.00 1.74 1.66 0.64 1.12 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 68 A 8.26 4.22 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 69 K 8.15 3.93 0.00 1.87 1.91 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.61 7.81 70 S 8.11 4.20 0.00 3.92 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 0.00 71 G 8.39 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 72 K 7.62 3.75 0.00 0.79 1.27 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 73 Y 6.93 5.03 0.00 2.93 2.93 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 0.00 0.00 0.00 74 D 9.22 4.72 0.00 2.55 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 75 A 7.44 4.55 1.20 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 0.00 0.00 76 V 8.23 4.76 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.87 4.34 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.57 4.91 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 79 L 7.88 5.30 0.00 1.38 1.40 0.80 0.69 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 80 G 7.74 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 0.00 0.00 0.00 0.00 81 T 8.51 5.08 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 1.20 0.00 0.00 82 V 9.04 4.22 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.68 1.85 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 1.24 0.69 0.88 0.00 0.00 84 R 8.48 3.65 0.00 0.67 1.37 0.00 3.05 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 85 G 8.35 4.40 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 0.00 86 G 8.77 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 87 T 7.59 4.54 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.31 4.28 0.00 3.25 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.03 0.00 3.10 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 91 E 7.94 3.60 0.00 1.96 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 2.02 2.19 0.00 92 Y 7.41 4.31 0.00 2.99 2.89 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 93 V 7.71 3.67 1.94 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 1.05 0.00 0.00 0.72 0.00 0.00 94 A 7.81 4.09 0.95 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 95 G 8.14 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 96 G 8.67 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 97 A 7.84 4.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.27 4.17 0.00 3.72 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 99 N 8.48 4.45 0.00 2.80 2.83 0.00 0.00 6.95 7.47 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 0.00 100 G 7.71 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 0.00 101 L 8.06 3.99 0.00 2.04 1.82 1.02 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 0.00 102 A 7.99 3.98 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 0.00 103 S 8.28 3.94 0.00 3.96 4.03 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 0.00 0.00 0.00 0.00 104 V 7.73 3.55 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 1.02 0.00 0.00 0.91 0.00 0.00 105 A 7.87 4.36 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 0.00 106 Q 7.71 3.91 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.53 0.00 2.70 2.70 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 0.00 108 S 8.29 4.34 0.00 4.03 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 0.00 109 G 8.06 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 0.00 0.00 0.00 110 V 7.59 3.98 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 0.96 0.00 0.00 0.99 0.00 0.00 111 P 0.00 4.56 0.00 2.12 1.96 0.00 3.79 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 2.12 2.09 0.00 112 V 8.38 4.92 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.91 4.44 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 0.00 114 F 9.02 4.80 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 0.00 116 V 6.09 4.51 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 0.69 0.00 0.00 -0.14 0.00 0.00 117 L 8.75 4.26 0.00 1.62 1.58 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.54 4.89 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 119 T 8.68 4.60 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 1.27 0.00 0.00 120 E 9.87 4.09 0.00 1.95 1.92 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 2.32 2.30 0.00 121 S 7.60 4.71 0.00 3.95 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 0.00 122 I 8.26 3.67 1.84 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 1.48 0.74 0.87 0.00 0.00 123 E 8.22 3.92 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 2.30 2.50 0.00 124 Q 8.19 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.80 4.02 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 0.00 126 I 7.92 3.77 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.07 0.99 0.00 0.00 127 E 8.07 4.56 0.00 2.29 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 2.38 0.00 128 R 8.02 4.54 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.18 4.83 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 0.00 130 G 7.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.51 4.64 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 1.27 0.00 0.00 132 K 9.27 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.82 4.58 1.32 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 0.00 0.00 134 G 8.10 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 0.00 0.00 0.00 135 N 8.22 5.30 0.00 2.70 2.65 0.00 0.00 6.92 7.04 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 0.00 136 K 8.97 3.96 0.00 1.82 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.29 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 0.00 138 A 7.88 4.04 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 0.00 139 E 8.38 3.86 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.66 4.06 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 0.00 141 A 8.19 3.89 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 0.00 142 L 8.05 3.90 0.00 1.99 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.11 3.83 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 1.26 0.00 0.00 144 A 7.88 3.98 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 0.00 145 L 7.81 3.86 0.00 1.86 1.90 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.39 4.09 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 147 M 8.08 4.06 0.00 2.09 2.35 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 2.63 2.89 0.00 148 I 7.66 3.70 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.92 0.00 0.00 149 N 7.98 4.31 0.00 2.96 2.86 0.00 0.00 6.72 8.30 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 0.00 150 V 7.93 3.62 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.33 4.08 0.00 1.93 1.69 0.93 0.89 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 0.00 152 K 8.05 3.81 0.00 1.85 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.32 4.44 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 0.00 154 I 7.87 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.91 0.00 0.00