NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4686 8.3044 118.1938 54.5512 33.2381 174.6328 2 E 4.5539 7.5885 118.3533 55.0679 32.4462 172.6156 3 R 4.6710 8.5879 124.2254 54.5718 34.8591 174.1481 4 A 4.5174 8.4407 123.1364 53.0716 18.9395 177.3665 5 S 4.5396 7.8545 113.2567 60.2350 63.4291 174.7140 6 L 4.0565 7.8621 123.1272 54.9795 42.0307 175.6136 7 N 4.8354 8.5302 124.5028 52.5746 41.5220 173.5084 8 R 4.5179 8.7284 123.8985 55.8522 31.0730 174.5958 9 I 4.4293 7.8665 117.5151 59.9668 38.8826 175.0480 10 G 4.5750 8.4048 113.5567 43.5262 0.0000 171.4815 11 K 4.6857 8.2212 116.4682 54.6369 36.3934 176.5612 12 D 4.8456 8.4085 121.0108 54.3253 39.2448 176.1929 13 V 4.6474 7.3439 118.5718 61.3082 35.5333 174.6717 14 Y 4.9944 8.6799 124.1098 56.3541 42.1399 174.1108 15 Y 5.3854 9.3072 118.1811 56.7884 42.1595 174.4098 16 M 5.7236 9.3280 122.6800 52.7756 36.5109 173.5297 17 Q 4.8739 8.7883 122.4342 54.0391 32.3096 174.8522 18 I 3.9824 7.9433 127.2233 61.2056 37.5861 175.4925 19 K 4.3886 8.8217 126.4216 57.6814 33.6782 175.4775 20 G 4.0908 7.4543 104.4039 45.1683 0.0000 169.5779 21 E 4.7932 8.0968 116.7976 57.2755 33.0281 177.0819 22 G 3.9171 7.9308 114.6003 46.0533 0.0000 170.3113 23 T 4.5288 7.6569 119.9937 61.8194 71.8995 172.6174 24 I 4.6923 8.3321 126.5477 59.3680 40.5479 174.7713 25 E 4.4325 9.0297 126.1561 54.3774 32.7894 174.2742 26 K 4.7075 8.7997 129.2915 55.5721 32.5932 175.6320 27 V 4.2852 8.5656 128.1279 62.1459 33.4891 175.3676 28 D 4.4800 9.6025 124.4879 55.4039 38.1759 174.6894 29 G 3.9181 8.4715 104.5804 45.6688 0.0000 173.8076 30 R 4.6254 7.8905 119.2420 53.9900 33.1217 174.9575 31 N 4.7629 8.8114 121.4332 53.0288 38.9571 174.5344 32 L 4.4694 8.7374 125.0645 53.4525 44.1248 176.2939 33 R 4.7856 8.4486 123.1849 54.7811 30.7594 174.5195 34 N 4.9558 8.0959 122.2354 51.0521 41.1150 173.3019 35 Y 4.4002 8.5054 117.1153 56.3645 41.0445 174.8205 36 T 4.9238 8.5518 120.9952 61.8954 70.5781 173.5849 37 L 5.0196 8.8295 125.9188 52.0609 46.0931 174.6468 38 P 4.9445 0.0000 0.0000 62.7419 32.8623 175.2288 39 A 5.0944 8.8802 124.1114 50.7330 23.6194 174.2963 40 Y 5.3651 9.5460 115.6825 55.6392 42.6723 175.8445 41 D 4.5584 8.6681 122.9964 52.1824 41.6057 176.5020 42 E 4.0201 8.2317 117.9992 59.3254 29.5667 178.0300 43 D 4.3647 8.1085 116.8320 55.1859 41.4755 176.9164 44 G 3.9247 8.4035 106.9627 45.3410 0.0000 173.4675 45 V 3.8464 7.6212 120.2762 61.8416 32.1002 175.3289 46 K 3.8653 8.6522 128.6198 56.7374 32.8954 175.5965 47 K 4.7754 8.9297 125.0669 54.8152 37.3888 175.0256 48 Q 4.8355 8.4913 121.3374 54.8617 31.5835 173.9291 49 I 4.6827 8.7499 127.0791 59.7305 41.2084 174.6631 50 T 5.2205 8.6009 122.1179 61.8326 70.5525 173.3902 51 F 5.1156 8.8892 121.1485 55.0842 41.7232 173.7555 52 R 5.1371 8.4103 117.7095 54.5162 33.3128 174.5976 53 S 4.3112 8.9583 119.3800 58.5189 63.1432 174.3186 54 T 4.4157 8.4056 116.5335 59.9984 70.0678 175.3453 55 K 4.2288 8.4759 119.4797 58.5518 32.6079 177.7241 56 K 4.2198 7.8269 118.0296 56.9972 32.5970 176.1695 57 E 4.5564 7.8224 119.7225 54.3222 30.3502 175.7201 58 N 4.6965 8.5454 121.8981 52.2914 38.8136 175.6475 59 D 4.6625 8.1944 119.9051 54.2713 41.7298 174.5599 60 H 4.7118 9.0418 117.7775 56.7586 27.5303 175.8229 61 K 4.2214 7.5696 116.0700 57.4574 34.0523 174.7226 62 L 3.4999 7.9324 115.3004 55.9272 38.5089 172.4214 63 N 4.6073 7.7587 117.8948 51.9128 40.0650 176.1306 64 K 4.6943 8.6129 125.6953 54.0604 29.8226 175.8303 65 Y 5.4435 6.9983 131.3855 57.8935 37.1453 173.7609 66 A 3.7216 6.3026 122.7683 51.5063 20.1416 176.2781 67 F 4.9844 8.4886 117.4418 55.9064 42.4567 175.0045 68 L 5.3531 9.4030 119.0620 53.1557 46.3435 176.0738 69 R 4.6806 9.2070 121.1187 54.7128 33.0341 173.7935 70 L 4.8449 8.6168 127.2612 53.1973 44.2716 175.0935 71 Y 5.0605 8.8649 122.3884 56.3575 39.7754 175.0287 72 V 4.6965 8.1898 122.9512 59.9391 33.8474 174.7721 73 D 5.0098 8.6442 122.6157 52.7494 44.0116 175.0752 74 Q 4.4500 8.4583 122.5064 54.6889 29.8271 175.7655 75 D 4.4202 8.9186 122.9084 56.0013 39.0562 176.4192 76 D 4.7148 7.7229 120.9394 51.8201 41.2040 174.9567 77 N 4.4557 8.7850 125.2425 55.9702 38.7928 174.4985 78 S 4.6324 7.1357 113.8045 57.7740 70.0800 175.8463 79 K 4.3892 7.9523 122.2842 55.7853 34.1787 176.5609 80 N 4.7770 7.9427 116.3088 51.7339 39.5066 175.0378 81 E 4.0427 8.8738 121.5066 58.5068 30.0940 176.9586 82 I 4.2615 7.4870 118.9723 59.3115 39.1684 174.1022 83 S 4.6514 8.0874 120.3122 57.0593 65.8146 174.7042 84 S 4.4950 8.2698 119.5830 57.5173 60.6365 174.9907 85 I 4.0985 8.0868 122.9861 62.0481 38.3863 175.4734 86 E 4.3974 7.6871 117.3148 53.9547 31.5112 175.2273 87 V 3.7070 8.1448 118.7194 63.4522 31.3411 175.3573 88 K 4.3668 8.8142 128.0149 59.5143 33.6366 176.9385 89 S 4.9596 7.8779 114.5174 57.8657 67.4932 172.9699 90 Y 5.3224 8.3253 118.4162 55.6723 41.4484 173.9451 91 E 4.5160 8.9950 120.3066 54.4624 33.6165 173.5299 92 E 4.8978 8.7481 127.8124 55.4816 30.7819 174.9720 93 I 4.9137 8.9448 120.2582 59.5054 42.2699 173.6362 94 Q 5.0079 8.8698 120.1193 53.9885 31.1915 176.7381 95 K 3.1738 8.8063 119.1075 58.9977 32.3571 178.4910 96 A 3.9928 7.8795 120.8669 55.0590 18.4409 178.2997 97 D 4.4644 7.7991 114.8045 56.5955 41.1571 177.0842 98 L 3.5594 6.9867 119.5424 53.1281 42.3365 175.8383 99 P 4.3272 0.0000 0.0000 62.3357 32.8578 176.8754 100 E 3.8245 8.6962 119.4650 59.7187 29.4052 179.5527 101 K 3.9144 7.8088 117.5784 59.3669 32.2412 179.3596 102 V 3.3114 7.5376 118.2010 65.6946 31.5265 177.7869 103 K 3.8188 7.8582 118.5435 60.4070 32.1581 178.8047 104 D 4.3608 7.7105 118.8133 56.7808 40.4461 178.8898 105 K 3.6996 7.4138 118.2313 58.7453 31.8460 179.1864 106 F 4.4134 7.6376 117.5773 60.6793 39.5455 177.5557 107 T 4.1726 8.2205 111.7881 62.2460 67.1896 174.4418 108 I 3.1417 8.4426 120.1501 62.6590 35.0895 173.9518 109 K 3.9057 8.3457 114.2435 57.3337 29.6134 176.9458 110 L 4.1099 7.8034 123.1250 57.2215 42.3041 176.7690 111 E 4.2652 7.7045 121.1554 56.3479 29.5159 175.6214 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 4.47 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 E 7.59 4.55 0.00 1.96 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 2.20 2.45 0.00 3 R 8.59 4.67 0.00 1.77 1.75 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 4 A 8.44 4.52 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.85 4.54 0.00 3.86 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 6 L 7.86 4.06 0.00 1.60 1.59 0.92 0.94 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 7 N 8.53 4.84 0.00 2.64 2.62 0.00 0.00 6.97 7.65 0.00 0.00 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 R 8.73 4.52 0.00 1.77 1.86 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 9 I 7.87 4.43 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 1.23 1.03 0.92 0.00 0.00 10 G 8.40 4.57 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 0.00 0.00 0.00 11 K 8.22 4.69 0.00 1.72 1.70 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.62 7.81 12 D 8.41 4.85 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.34 4.65 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 0.49 0.00 0.00 1.02 0.00 0.00 14 Y 8.68 4.99 0.00 2.77 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 15 Y 9.31 5.39 0.00 3.16 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 16 M 9.33 5.72 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.39 0.00 17 Q 8.79 4.87 0.00 1.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 18 I 7.94 3.98 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.91 0.00 0.00 19 K 8.82 4.39 0.00 1.76 1.85 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.45 7.81 20 G 7.45 4.09 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 0.00 21 E 8.10 4.79 0.00 1.97 1.84 0.00 0.00 0.00 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 2.34 0.00 22 G 7.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.66 4.53 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 1.08 0.00 0.00 24 I 8.33 4.69 1.81 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 1.14 0.82 0.90 0.00 0.00 25 E 9.03 4.43 0.00 1.89 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 2.15 2.18 0.00 26 K 8.80 4.71 0.00 1.78 1.71 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.40 7.81 27 V 8.57 4.29 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 1.01 0.00 0.00 0.95 0.00 0.00 28 D 9.60 4.48 0.00 2.85 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 29 G 8.47 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.89 4.63 0.00 1.87 1.79 0.00 3.11 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 31 N 8.81 4.76 0.00 2.56 2.75 0.00 0.00 7.00 7.83 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 32 L 8.74 4.47 0.00 1.64 1.51 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.45 4.79 0.00 1.70 1.76 0.00 3.13 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.37 0.00 34 N 8.10 4.96 0.00 2.58 2.59 0.00 0.00 6.62 7.31 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 35 Y 8.51 4.40 0.00 1.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.55 4.92 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 1.20 0.00 0.00 37 L 8.83 5.02 0.00 1.76 1.64 1.22 0.89 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 38 P 0.00 4.94 0.00 2.09 1.89 0.00 3.65 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 2.19 2.12 0.00 39 A 8.88 5.09 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 40 Y 9.55 5.37 0.00 2.79 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 41 D 8.67 4.56 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.23 4.02 0.00 2.22 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 2.33 2.33 0.00 43 D 8.11 4.36 0.00 2.67 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.62 3.85 2.34 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 1.03 0.00 0.00 0.97 0.00 0.00 46 K 8.65 3.87 0.00 1.86 1.67 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 0.98 7.81 47 K 8.93 4.78 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.86 7.81 48 Q 8.49 4.84 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 49 I 8.75 4.68 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.89 0.00 0.00 50 T 8.60 5.22 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 1.15 0.00 0.00 51 F 8.89 5.12 0.00 2.85 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 52 R 8.41 5.14 0.00 1.80 1.83 0.00 3.24 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 53 S 8.96 4.31 0.00 4.12 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 54 T 8.41 4.42 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 1.36 0.00 0.00 55 K 8.48 4.23 0.00 1.89 2.00 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.55 7.81 56 K 7.83 4.22 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 57 E 7.82 4.56 0.00 2.19 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 2.40 2.68 0.00 58 N 8.55 4.70 0.00 2.87 2.84 0.00 0.00 6.36 8.07 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 59 D 8.19 4.66 0.00 2.76 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 60 H 9.04 4.71 0.00 3.35 3.56 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.57 4.22 0.00 2.03 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.49 7.81 62 L 7.93 3.50 0.00 1.83 1.74 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.76 4.61 0.00 2.19 2.47 0.00 0.00 6.76 8.04 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 64 K 8.61 4.69 0.00 1.75 1.83 0.00 2.11 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 65 Y 7.00 5.44 0.00 3.08 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 66 A 6.30 3.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.49 4.98 0.00 3.00 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 68 L 9.40 5.35 0.00 1.58 1.45 0.54 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 R 9.21 4.68 0.00 1.82 1.69 0.00 3.19 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.25 0.00 70 L 8.62 4.84 0.00 1.51 1.42 0.80 0.55 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 71 Y 8.86 5.06 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.70 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 0.87 0.00 0.00 0.96 0.00 0.00 73 D 8.64 5.01 0.00 2.79 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 74 Q 8.46 4.45 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 75 D 8.92 4.42 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.72 4.71 0.00 2.61 2.63 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 77 N 8.79 4.46 0.00 2.73 2.83 0.00 0.00 7.40 7.64 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 78 S 7.14 4.63 0.00 3.96 3.80 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 79 K 7.95 4.39 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.42 7.81 80 N 7.94 4.78 0.00 2.69 2.75 0.00 0.00 6.93 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 81 E 8.87 4.04 0.00 2.07 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 2.28 2.24 0.00 82 I 7.49 4.26 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 1.30 0.88 0.91 0.00 0.00 83 S 8.09 4.65 0.00 3.81 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 84 S 8.27 4.50 0.00 3.95 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 85 I 8.09 4.10 1.88 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 1.10 1.71 0.91 0.00 0.00 86 E 7.69 4.40 0.00 2.09 1.93 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 2.20 2.28 0.00 87 V 8.14 3.71 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 0.94 0.00 0.00 0.79 0.00 0.00 88 K 8.81 4.37 0.00 1.83 1.95 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.50 7.81 89 S 7.88 4.96 0.00 3.95 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 90 Y 8.33 5.32 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.00 4.52 0.00 2.15 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 92 E 8.75 4.90 0.00 2.01 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 2.21 2.24 0.00 93 I 8.94 4.91 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.97 0.00 0.00 94 Q 8.87 5.01 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 95 K 8.81 3.17 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.09 7.81 96 A 7.88 3.99 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 97 D 7.80 4.46 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 6.99 3.56 0.00 1.40 1.20 -0.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.33 0.00 2.16 2.09 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 100 E 8.70 3.82 0.00 1.99 1.96 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 2.33 2.38 0.00 101 K 7.81 3.91 0.00 1.73 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.40 7.81 102 V 7.54 3.31 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 1.15 0.00 0.00 0.91 0.00 0.00 103 K 7.86 3.82 0.00 1.91 1.86 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.42 7.81 104 D 7.71 4.36 0.00 2.80 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 0.00 105 K 7.41 3.70 0.00 0.89 0.74 0.00 1.52 0.00 0.00 1.58 0.00 0.00 3.25 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.39 7.81 106 F 7.64 4.41 0.00 3.24 3.30 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 0.00 107 T 8.22 4.17 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 108 I 8.44 3.14 1.90 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 1.53 0.85 0.92 0.00 0.00 109 K 8.35 3.91 0.00 1.90 1.89 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 110 L 7.80 4.11 0.00 1.74 1.78 0.94 0.95 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 0.00 111 E 7.70 4.27 0.00 2.05 1.85 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 2.31 2.28 0.00