NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3401 8.2649 123.5877 51.5418 20.6511 176.8417 3 T 4.1697 7.9338 113.7568 63.1917 69.1439 172.0672 4 K 4.7663 9.5536 124.9685 54.6462 37.0759 174.4212 5 I 4.7902 7.8594 120.0803 58.9537 41.1619 175.4012 6 D 4.5862 8.8723 129.0084 52.5050 39.8015 176.7661 7 K 3.7108 8.2432 124.5610 59.1926 32.3690 177.4756 8 E 3.8460 8.2426 118.2534 59.5371 29.4051 178.5917 9 A 4.0146 8.4220 120.3231 55.5922 18.5307 179.4861 10 C 4.4665 8.3941 115.3764 62.9039 28.0413 176.3333 11 R 3.9469 8.7084 120.6329 59.0926 29.5755 178.4625 12 A 4.0055 8.1505 120.7450 54.8987 18.2423 179.4917 13 A 3.9670 8.0268 119.1027 55.4020 18.4381 178.8958 14 Y 4.2550 8.3436 118.0636 61.4057 38.6687 178.4131 15 N 4.0471 8.5732 117.2806 55.9480 38.3559 177.0697 16 L 3.9339 7.8768 121.3011 58.3131 42.1908 179.0163 17 V 4.0199 7.4646 117.2137 65.8782 31.6636 177.6271 18 R 4.2079 7.4794 114.9768 56.1157 29.4861 175.8085 19 D 4.6602 7.4860 120.6448 52.8801 41.8437 176.6673 20 D 4.5278 8.8916 127.5792 57.4004 41.0581 177.7696 21 G 3.9309 7.5715 103.5381 45.6901 0.0000 173.0392 22 S 4.6619 7.7109 113.0162 55.9522 64.9344 173.9280 23 A 4.1588 8.3539 128.1172 53.3985 19.0386 177.2979 24 V 3.8575 7.3234 116.9560 62.8088 31.6309 175.4797 25 I 4.4630 8.4406 121.2139 60.8595 39.5654 175.3370 26 W 5.6836 7.4367 119.5382 55.1001 31.6871 174.3111 27 V 4.9726 8.7854 114.1648 59.9987 35.4556 174.3757 28 T 5.0713 8.5862 112.5853 59.9512 72.6296 172.7349 29 F 5.4773 9.5792 120.6240 55.9310 42.4967 174.5186 30 K 5.2405 9.4085 122.6921 54.6371 36.6551 174.6987 31 Y 4.7647 8.8185 119.2036 57.5554 39.7327 174.5911 32 D 5.0360 9.6323 125.0777 52.7716 42.1662 176.7964 33 G 4.0261 8.1716 118.8877 46.8069 0.0000 172.2167 34 S 4.8597 8.7463 119.4388 57.9554 63.3262 172.7519 35 T 5.0896 7.8747 117.7211 62.2551 71.6946 173.0952 36 I 4.4711 8.7803 128.1018 60.9064 38.4568 175.5804 37 V 4.8548 8.9987 119.7505 58.5349 36.4017 173.1822 38 P 4.8172 0.0000 0.0000 62.9720 31.5369 177.3635 39 G 4.4966 8.5885 111.9147 44.8504 0.0000 172.8123 40 E 4.5588 8.9533 122.1917 56.8099 31.0867 175.8578 41 Q 3.9318 7.7750 117.8610 54.9396 32.1438 173.5790 42 G 3.5646 6.7383 104.8770 45.9416 0.0000 173.9689 43 A 4.7209 8.6278 120.9942 51.0569 20.3531 176.8262 44 E 4.7173 8.0301 116.0955 54.2301 31.7336 176.1376 45 Y 4.1494 8.9061 125.1956 60.9411 38.5816 177.9117 46 Q 3.7976 8.1114 119.8460 59.2577 28.9217 177.6728 47 H 4.3134 8.0013 116.2859 57.9311 28.9393 177.2541 48 F 2.4499 7.2808 123.0055 60.6246 39.1798 177.1622 49 I 2.7049 6.7568 118.7407 64.2233 36.5341 178.1416 50 Q 3.8242 6.9765 117.5437 58.2953 28.5230 177.5169 51 Q 3.9572 7.2999 118.3182 57.8209 29.1845 176.6222 52 C 3.2649 6.3579 116.7594 57.9511 26.2114 172.9699 53 T 4.4255 7.2395 114.4089 59.6775 70.8536 176.6062 54 D 4.5589 8.5606 120.7943 57.1440 40.9442 178.2961 55 D 4.4676 7.6652 116.2487 55.4631 41.4166 175.8552 56 V 4.8083 7.6762 112.1384 59.2312 35.9043 174.4492 57 R 5.3144 8.2260 116.9250 55.0382 32.4910 174.3409 58 L 4.5677 8.7872 119.2557 55.5120 44.3110 173.1676 59 F 5.6434 9.3183 118.4659 56.1732 42.2983 174.6980 60 A 5.2898 9.5829 122.3549 50.6841 23.3580 174.8603 61 F 5.5871 9.2026 122.9818 56.5637 42.1510 174.2604 62 V 4.6241 8.4355 125.6442 60.9556 34.9555 173.9384 63 R 4.3193 8.7015 128.2341 54.9319 30.9553 175.3940 64 F 4.5603 8.7182 125.3555 56.0850 41.9195 174.9331 65 T 5.1751 8.3525 117.2319 62.0783 71.6130 173.2075 66 T 4.5196 8.4983 115.1003 60.7264 73.0849 174.2814 67 G 4.1677 9.5709 109.6644 45.9322 0.0000 171.9977 68 D 4.5313 8.6778 114.8121 54.2332 46.0230 176.7712 69 A 3.7987 8.5540 128.5003 53.6470 17.8018 181.0042 70 M 4.2133 9.1785 122.0510 59.2356 32.1307 176.6343 71 S 4.7079 8.2751 112.9680 57.6392 64.5657 173.9306 72 K 4.4054 7.6918 123.2096 56.8962 32.4928 176.1396 73 R 4.7762 9.1088 122.7444 55.0633 33.4175 173.7656 74 S 5.1758 8.5151 115.2126 56.7296 65.8077 173.8900 75 K 4.5244 8.4186 121.5541 54.7543 35.8212 175.3251 76 F 5.1742 9.0076 123.1431 56.1354 41.4084 174.5658 77 A 5.5053 9.1506 124.2317 50.1894 22.5107 174.6137 78 L 5.1966 8.6777 123.7740 53.7676 43.9645 175.2461 79 I 5.2584 9.3550 127.3206 59.9821 40.7990 174.4631 80 T 4.9569 9.4393 124.5790 61.8254 70.4592 173.2083 81 W 5.1901 9.3746 135.0000 55.7878 32.5537 174.8742 82 I 4.2884 7.5637 127.3687 58.8652 39.8889 175.2963 83 G 3.5403 8.8073 115.4742 45.9138 0.0000 173.6010 84 E 4.0170 8.7884 121.1443 58.8470 29.6206 178.0469 85 N 4.5650 8.1374 114.5721 53.7367 39.1152 175.7421 86 V 3.6704 7.3894 119.5395 62.1792 32.2469 176.4732 87 S 4.4205 8.4835 121.7242 58.2717 64.8705 175.6925 88 G 3.5453 8.4834 109.2549 47.8911 0.0000 176.1117 89 L 4.0081 7.7562 120.8039 57.8132 41.7238 179.4356 90 Q 3.9595 8.1410 117.9369 58.4698 28.1117 178.6174 91 R 3.7767 8.1538 120.0251 59.3644 30.1684 178.4914 92 A 4.0106 7.9989 120.6189 54.9104 18.2976 179.4364 93 K 3.9187 8.2275 118.2577 60.0667 32.1701 179.0127 94 T 4.3693 7.7224 117.5826 66.1107 68.1217 176.7375 95 G 3.7161 7.5940 106.0427 48.1210 0.0000 175.6761 96 T 4.1155 7.8143 117.6920 66.5506 68.5900 176.6171 97 D 4.5351 8.7094 120.4896 56.3805 40.7287 178.4043 98 K 3.7701 8.0755 120.5265 59.6414 31.8263 178.7015 99 T 3.8133 7.5079 115.1290 66.4443 68.5140 175.9167 100 L 3.9610 7.6848 122.2551 57.9949 42.0244 179.2264 101 V 3.1065 7.1390 117.7023 65.7338 31.1929 178.0118 102 K 4.2944 8.0091 119.2820 58.4469 31.5884 178.9752 103 E 3.9510 7.5120 118.3300 58.1243 29.2860 178.3444 104 V 3.8338 6.4071 117.2092 63.7877 34.0465 177.2384 105 V 2.6244 7.1514 121.5710 61.6619 29.5801 176.0973 106 Q 4.1069 7.1875 122.2040 57.0254 29.4680 176.3842 107 N 4.9615 8.1255 115.1630 51.2010 41.0895 173.6868 108 F 5.2008 7.7599 115.3445 55.8582 40.3759 173.9086 109 A 4.3355 9.4462 125.1804 55.0404 18.9896 177.8836 110 K 4.6378 8.2270 113.1157 55.7365 35.4642 173.9203 111 E 5.1844 8.8461 123.3321 54.6776 32.1742 174.9622 112 F 5.0034 9.7210 119.5239 55.8113 43.7690 174.3489 113 V 4.9221 8.6941 120.3000 61.5418 33.5383 174.5207 114 I 4.8166 9.1092 129.2025 59.8035 40.3046 176.7344 115 S 3.5318 8.6939 117.8604 56.0357 65.0682 173.2786 116 D 5.0001 7.8670 120.7024 52.0692 42.5270 176.6502 117 R 3.9569 8.9769 126.3804 59.2269 30.0198 178.8850 118 K 3.9358 9.0773 118.8736 59.3854 31.8141 178.1832 119 E 4.0220 8.1047 115.8369 57.1086 29.6200 177.7613 120 L 4.6980 7.9763 119.0692 53.5365 42.7724 176.2351 121 E 4.0039 7.7037 120.8414 56.7045 30.2972 176.5818 122 E 3.9740 9.5928 127.0337 60.0886 29.5959 178.8974 123 D 4.3893 8.5040 117.9232 57.0426 40.8754 178.4966 124 F 4.1557 8.5451 121.3300 61.4037 39.4042 177.1330 125 I 3.1589 7.6636 119.3920 64.1700 36.7805 178.5129 126 K 3.6960 7.6967 119.3494 59.4207 31.5035 179.5404 127 S 4.0904 7.8557 114.4312 61.3745 62.5370 176.5127 128 E 3.8463 7.4866 121.4219 59.2312 29.3242 179.0199 129 L 4.1603 7.9474 118.0820 57.3388 41.6159 179.4655 130 K 4.0540 7.6484 118.0335 59.3988 32.1709 177.5944 131 K 4.1594 7.4329 120.9527 56.9447 32.2322 176.5935 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 A 8.26 4.34 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 3 T 7.93 4.17 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 1.33 0.00 0.00 4 K 9.55 4.77 0.00 1.61 1.66 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.56 7.81 5 I 7.86 4.79 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.79 0.00 0.00 6 D 8.87 4.59 0.00 2.80 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 7 K 8.24 3.71 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.40 7.81 8 E 8.24 3.85 0.00 2.02 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 2.39 2.40 0.00 9 A 8.42 4.01 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 10 C 8.39 4.47 0.00 2.88 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 11 R 8.71 3.95 0.00 1.80 2.12 0.00 3.08 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 12 A 8.15 4.01 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 13 A 8.03 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 4.26 0.00 3.03 3.09 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 15 N 8.57 4.05 0.00 2.83 2.80 0.00 0.00 6.76 7.60 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 16 L 7.88 3.93 0.00 1.79 1.91 0.90 0.79 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 17 V 7.46 4.02 2.64 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 1.01 0.00 0.00 1.11 0.00 0.00 18 R 7.48 4.21 0.00 1.46 1.64 0.00 2.34 0.00 0.00 2.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.02 0.00 19 D 7.49 4.66 0.00 2.71 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 20 D 8.89 4.53 0.00 2.77 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 21 G 7.57 3.93 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 0.00 0.00 0.00 22 S 7.71 4.66 0.00 3.97 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 23 A 8.35 4.16 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 24 V 7.32 3.86 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 0.65 0.00 0.00 0.81 0.00 0.00 25 I 8.44 4.46 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.07 0.92 0.00 0.00 26 W 7.44 5.68 0.00 3.06 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 27 V 8.79 4.97 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 0.68 0.00 0.00 1.04 0.00 0.00 28 T 8.59 5.07 4.42 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 1.64 0.00 0.00 29 F 9.58 5.48 0.00 3.20 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 30 K 9.41 5.24 0.00 1.79 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.53 7.81 31 Y 8.82 4.76 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.63 5.04 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.17 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 0.00 0.00 0.00 34 S 8.75 4.86 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.87 5.09 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 1.22 0.00 0.00 36 I 8.78 4.47 1.67 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.42 0.82 0.00 0.00 37 V 9.00 4.85 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 0.85 0.00 0.00 1.07 0.00 0.00 38 P 0.00 4.82 0.00 1.99 2.06 0.00 3.72 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 2.11 2.28 0.00 39 G 8.59 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.95 4.56 0.00 2.35 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 2.54 2.45 0.00 41 Q 7.78 3.93 0.00 1.69 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 42 G 6.74 3.56 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 0.00 0.00 0.00 43 A 8.63 4.72 1.29 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 44 E 8.03 4.72 0.00 1.82 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 0.00 2.29 2.26 0.00 45 Y 8.91 4.15 0.00 2.89 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 46 Q 8.11 3.80 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 47 H 8.00 4.31 0.00 3.70 3.58 0.00 5.73 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 48 F 7.28 2.45 0.00 1.51 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 0.00 0.00 0.00 49 I 6.76 2.70 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.10 0.55 0.00 0.00 50 Q 6.98 3.82 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 51 Q 7.30 3.96 0.00 1.64 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.30 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 52 C 6.36 3.26 0.00 1.67 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 53 T 7.24 4.43 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 1.09 0.00 0.00 54 D 8.56 4.56 0.00 2.78 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 55 D 7.67 4.47 0.00 2.75 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 56 V 7.68 4.81 2.18 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 0.81 0.00 0.00 1.11 0.00 0.00 57 R 8.23 5.31 0.00 1.72 1.76 0.00 2.96 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 58 L 8.79 4.57 0.00 2.03 1.91 1.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.32 5.64 0.00 3.45 3.26 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 60 A 9.58 5.29 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 61 F 9.20 5.59 0.00 3.57 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 62 V 8.44 4.62 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 0.26 0.00 0.00 0.47 0.00 0.00 63 R 8.70 4.32 0.00 1.79 1.68 0.00 3.19 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.00 64 F 8.72 4.56 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.35 5.18 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 1.17 0.00 0.00 66 T 8.50 4.52 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 1.17 0.00 0.00 67 G 9.57 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 0.00 0.00 0.00 0.00 68 D 8.68 4.53 0.00 2.73 2.45 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 0.00 69 A 8.55 3.80 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 70 M 9.18 4.21 0.00 2.02 2.14 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 2.60 2.47 0.00 71 S 8.28 4.71 0.00 3.85 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 72 K 7.69 4.41 0.00 1.77 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.37 7.81 73 R 9.11 4.78 0.00 1.85 1.94 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 74 S 8.52 5.18 0.00 3.51 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 75 K 8.42 4.52 0.00 1.63 1.67 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.34 7.81 76 F 9.01 5.17 0.00 3.29 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 77 A 9.15 5.51 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 78 L 8.68 5.20 0.00 1.35 0.84 1.15 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 I 9.36 5.26 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 1.26 0.00 0.00 80 T 9.44 4.96 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 1.12 0.00 0.00 81 W 9.37 5.19 0.00 3.46 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 82 I 7.56 4.29 1.55 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 0.97 0.87 0.72 0.00 0.00 83 G 8.81 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.79 4.02 0.00 1.94 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 0.00 2.23 2.25 0.00 85 N 8.14 4.57 0.00 2.84 2.84 0.00 0.00 6.93 8.44 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 86 V 7.39 3.67 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 0.68 0.00 0.00 0.87 0.00 0.00 87 S 8.48 4.42 0.00 4.05 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 88 G 8.48 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.76 4.01 0.00 1.68 1.70 0.91 1.04 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 90 Q 8.14 3.96 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 91 R 8.15 3.78 0.00 1.86 2.07 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 92 A 8.00 4.01 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 93 K 8.23 3.92 0.00 1.99 1.97 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.77 7.81 94 T 7.72 4.37 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 1.11 0.00 0.00 95 G 7.59 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 96 T 7.81 4.12 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 1.25 0.00 0.00 97 D 8.71 4.54 0.00 3.02 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 98 K 8.08 3.77 0.00 2.21 2.03 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.64 7.81 99 T 7.51 3.81 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 1.18 0.00 0.00 100 L 7.68 3.96 0.00 1.71 1.57 0.89 0.83 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 0.00 101 V 7.14 3.11 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 -0.44 0.00 0.00 102 K 8.01 4.29 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.45 7.81 103 E 7.51 3.95 0.00 1.82 1.90 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 2.25 2.40 0.00 104 V 6.41 3.83 1.73 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 0.43 0.00 0.00 0.67 0.00 0.00 105 V 7.15 2.62 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 1.02 0.00 0.00 0.69 0.00 0.00 106 Q 7.19 4.11 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 107 N 8.13 4.96 0.00 2.81 2.78 0.00 0.00 6.84 7.07 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 0.00 108 F 7.76 5.20 0.00 3.52 3.46 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 0.00 109 A 9.45 4.34 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.23 4.64 0.00 1.81 1.64 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.44 1.11 7.81 111 E 8.85 5.18 0.00 1.81 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 2.23 2.28 0.00 112 F 9.72 5.00 0.00 3.03 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 0.00 113 V 8.69 4.92 2.15 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 0.83 0.00 0.00 1.01 0.00 0.00 114 I 9.11 4.82 2.22 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 1.23 0.00 0.00 115 S 8.69 3.53 0.00 3.60 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.87 5.00 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.98 3.96 0.00 1.88 1.86 0.00 2.93 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.58 0.00 118 K 9.08 3.94 0.00 1.73 1.74 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 119 E 8.10 4.02 0.00 2.20 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 0.00 1.89 2.18 0.00 120 L 7.98 4.70 0.00 1.73 1.78 0.43 0.98 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 0.00 121 E 7.70 4.00 0.00 2.14 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 0.00 2.39 2.46 0.00 122 E 9.59 3.97 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 2.42 2.48 0.00 123 D 8.50 4.39 0.00 3.19 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 0.00 124 F 8.55 4.16 0.00 3.13 3.26 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 0.00 125 I 7.66 3.16 1.40 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 -0.55 0.00 0.00 126 K 7.70 3.70 0.00 1.86 1.75 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.45 7.81 127 S 7.86 4.09 0.00 4.00 4.07 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 0.00 128 E 7.49 3.85 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.08 0.00 129 L 7.95 4.16 0.00 1.64 1.71 0.63 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.65 4.05 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.60 7.81 131 K 7.43 4.16 0.00 1.85 1.73 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.63 7.81