NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4404 8.1927 115.4121 57.7959 64.6788 174.2635 3 S 3.8799 8.5534 114.6014 60.7396 62.1746 174.4082 4 S 4.0822 8.8268 116.6589 61.4401 62.5417 175.6405 5 I 3.7006 7.6552 122.0914 64.5495 36.8153 178.6731 6 R 3.8805 8.5509 119.1997 59.2677 29.8458 179.0176 7 E 3.9977 8.5706 118.8504 59.4022 29.3855 179.0370 8 E 3.9638 8.1745 119.1877 58.9411 29.5703 179.0147 9 V 3.5272 7.8773 118.5387 66.5092 31.5553 177.8959 10 H 4.2169 8.3315 116.0113 58.7064 28.3790 177.8769 11 R 3.9332 8.2261 120.8753 59.4030 29.8952 178.0970 12 H 4.1013 8.3916 118.2870 59.3763 29.7379 177.2498 13 L 4.1079 8.0760 119.6925 57.6397 41.5218 179.4256 14 G 3.7625 7.9417 105.4008 47.6315 0.0000 176.1016 15 T 3.8755 8.0913 118.2845 66.5723 68.5120 177.1145 16 V 3.6131 7.8169 113.6895 63.9919 31.5288 178.3795 17 A 4.0311 7.7713 120.9860 55.0110 17.9058 179.5272 18 L 3.9982 7.9126 116.9263 57.7003 41.7301 178.5816 19 M 4.4807 7.5300 115.8836 53.7903 32.2822 175.8661 20 Q 3.9183 7.3084 121.2594 55.7468 29.4197 174.8546 21 P 4.3627 0.0000 0.0000 63.0926 32.0146 175.2911 22 A 4.4213 8.0212 121.9001 51.6048 21.7196 176.4437 23 L 4.3109 8.3019 120.2546 53.6629 41.1718 176.4087 24 H 4.4483 8.5649 124.6397 54.6823 29.2570 174.5811 25 Q 4.3887 8.1511 129.2770 54.0174 28.7188 175.1207 26 Q 4.0627 8.4667 124.9815 55.8561 29.4473 176.1050 27 T 4.5424 8.2455 111.7478 60.4123 70.5849 174.5221 28 H 4.6482 8.4074 123.5724 54.7549 29.3043 173.2670 29 A 3.6844 8.0041 126.8838 52.3264 16.0342 175.6262 30 P 4.3960 0.0000 0.0000 61.7213 32.7985 177.0672 31 A 4.2397 8.2559 122.0133 51.3805 19.2370 177.0004 32 P 4.2864 0.0000 0.0000 65.8203 31.4958 178.9035 33 T 4.0851 7.8914 106.3236 63.4192 68.8104 174.5118 34 E 4.3726 8.2623 121.1405 56.2949 29.9937 175.6049 35 I 4.3725 7.5331 121.3993 59.8921 37.9987 176.3687 36 T 4.4242 8.2166 116.6780 60.8191 71.4717 174.9866 37 H 4.2015 8.6462 119.8357 59.6186 29.8398 177.0935 38 T 3.8250 7.9309 117.1231 66.7161 68.3422 176.4155 39 L 3.9071 7.9530 120.7811 57.5266 41.6540 179.2586 40 F 4.0987 8.6436 121.0407 61.4600 39.1594 177.2318 41 R 3.9403 8.2330 117.0410 59.2869 29.5928 178.0334 42 A 4.0409 7.8202 120.6999 55.2600 18.1398 179.2743 43 Y 4.2251 8.1160 115.0941 60.6924 37.9678 177.4359 44 T 4.3118 7.3942 108.5676 60.5235 69.3552 175.1130 45 R 3.9024 6.7541 117.1853 56.5844 30.1346 176.4853 46 V 3.9534 8.0375 118.7656 60.9278 31.4555 174.5365 47 P 4.0497 0.0000 0.0000 65.9772 31.1828 177.5665 48 H 4.4408 7.0054 111.3410 56.8414 28.7224 175.7587 49 D 4.5385 7.7957 121.3130 53.1533 39.3901 175.6681 50 V 4.7151 7.1949 113.9181 59.5101 33.2718 176.2073 51 G 3.9275 8.0392 109.4207 47.5492 0.0000 173.6477 52 G 4.0257 8.9735 113.4182 45.2314 0.0000 173.6203 53 E 4.0677 8.1171 119.9252 55.8377 30.0667 176.3315 54 A 4.3216 8.3348 125.8644 52.4053 19.1135 176.2271 55 D 4.6490 8.1331 119.6889 53.1514 44.3639 174.8573 56 V 4.1346 7.9161 116.0778 59.4608 33.0256 174.2068 57 P 4.5091 0.0000 0.0000 62.0884 31.9690 176.2174 58 I 4.3754 7.2856 113.9882 58.6949 40.3920 175.2719 59 E 3.9663 8.4043 123.4654 55.3888 28.3140 175.6009 60 Y 4.3052 7.9602 123.6158 58.4322 38.5099 175.8484 61 H 5.0517 8.3115 117.8948 53.7725 31.8202 172.5345 62 E 4.5637 8.4716 119.3455 55.0083 31.1476 175.7170 63 K 4.5642 8.0403 120.2292 54.4830 35.2041 175.9321 64 E 4.0440 8.6764 125.4315 56.3233 30.0702 175.9904 65 E 4.2390 8.3840 122.9288 55.4957 30.6816 176.9041 66 E 4.1875 9.0378 126.4941 55.8953 31.5852 178.1149 67 I 3.7266 8.3776 123.0869 64.3801 37.3259 178.8425 68 W 4.9541 8.2680 118.2001 58.8683 27.9546 178.2435 69 E 2.8132 6.9488 119.4064 58.5931 28.8558 178.5965 70 L 3.8465 7.3801 120.2182 58.2593 42.1248 178.8486 71 N 4.4491 8.1979 116.4324 56.4748 38.3517 177.6564 72 T 4.0203 7.9492 117.2751 66.5130 68.6122 176.3424 73 F 4.2271 8.2715 122.7211 61.4561 39.3069 176.9672 74 A 3.9360 8.1696 120.1723 55.4837 18.1185 179.7252 75 T 3.8916 8.2158 114.2296 67.0794 68.4314 176.7302 76 C 4.6302 8.6456 118.8698 63.1078 28.2184 176.0892 77 E 4.1086 8.3536 120.2283 59.5020 28.9333 179.1612 78 C 4.5792 8.6536 117.3270 62.8631 28.1165 176.1008 79 L 3.9054 8.4176 120.6052 57.5866 41.1462 179.4938 80 A 5.1977 8.3097 122.0853 54.5115 18.2085 179.1851 81 W 4.4812 8.7709 126.1637 60.7626 30.7201 177.4955 82 R 4.3929 8.1037 115.5494 55.8687 29.9970 177.3554 83 G 3.9935 8.0573 105.6255 46.0405 0.0000 175.7260 84 V 3.6652 8.1893 121.6149 65.1637 31.8213 175.5875 85 W 4.9435 7.9060 114.6997 55.1179 30.4375 172.8849 86 T 4.7739 8.6412 109.6883 59.9343 71.5786 175.4049 87 A 3.5747 8.1964 122.9299 55.2534 18.3292 179.8666 88 E 3.8210 7.9360 116.6554 59.4829 29.5589 179.2006 89 E 3.9482 7.7872 118.5171 59.1257 29.4047 179.3556 90 R 3.1101 7.1097 118.5246 59.1766 29.9975 178.6615 91 R 3.6140 7.7837 118.1592 59.2233 29.9669 178.9959 92 R 3.7714 7.8658 118.2358 59.3768 29.6159 178.7955 93 K 4.2237 7.9081 119.5806 58.8498 31.6408 179.2755 94 Q 4.0676 8.6928 121.7170 58.0766 27.9518 176.8774 95 N 4.9904 8.4597 115.4849 53.4055 39.1918 175.3046 96 C 4.1546 7.4939 115.8918 61.3480 30.8063 176.0018 97 D 4.4113 8.2667 119.2330 57.2687 40.5394 179.4211 98 V 3.7154 7.1462 111.3722 62.3170 31.8783 177.2477 99 G 4.1457 8.1776 105.6104 45.7477 0.0000 174.0119 100 Q 4.0339 8.8355 121.0488 59.7362 28.7485 179.5579 101 T 3.9409 7.9433 115.6231 66.9129 68.6376 176.7133 102 V 3.6291 7.8172 119.4880 66.0368 31.5248 177.0389 103 Y 4.2231 8.4128 119.6333 60.2331 38.3996 177.4828 104 L 4.5418 7.7233 116.9248 54.8963 43.1381 178.2760 105 G 3.8310 8.3825 105.3793 45.5159 0.0000 173.7138 106 M 4.6594 7.1796 119.2990 52.8901 34.4575 174.5697 107 P 4.5988 0.0000 0.0000 62.4418 33.3182 176.3951 108 Y 4.2187 8.8584 120.6688 62.1423 38.5844 178.5880 109 Y 4.2230 8.2201 116.5234 60.2299 38.1106 178.4523 110 G 3.9511 8.4371 107.1362 47.9985 0.0000 175.9234 111 R 4.1612 8.3611 120.4770 58.5970 30.0577 179.1739 112 W 4.4184 8.2008 120.1337 59.1976 29.1506 178.2115 113 L 4.2185 8.6202 120.2115 58.4311 41.6006 178.9389 114 L 4.0907 8.2461 118.8625 58.3144 41.5390 179.7143 115 T 4.0958 8.2702 115.1778 66.1328 67.9311 176.8842 116 A 4.0161 8.2999 123.1205 54.9817 18.3033 179.5273 117 A 4.0096 8.1637 119.4738 55.0540 18.4275 179.8312 118 R 3.8458 8.1397 117.4064 59.7075 30.2256 178.5698 119 I 3.7287 7.8379 118.3637 64.0314 37.7208 177.7630 120 L 4.1085 7.4786 118.7169 57.6977 41.3697 179.7392 121 V 3.9024 7.4586 119.5033 65.5943 31.3798 177.8246 122 D 4.3667 8.4603 117.5117 56.7821 40.6290 177.9893 123 K 4.2131 7.6796 116.4144 55.0115 32.3972 176.3023 124 Q 3.3893 7.7352 116.5210 56.9522 26.7699 175.1587 125 F 4.5346 8.1016 117.5218 59.5280 39.5322 176.5819 126 V 4.6895 7.2962 112.9278 58.9207 35.7903 174.2207 127 T 4.2191 9.0276 114.4613 61.0346 71.1199 175.8842 128 L 3.9146 8.2887 123.0127 58.4363 41.9988 179.3040 129 T 3.8349 7.7857 115.4371 66.6719 68.3996 176.1662 130 E 3.9694 8.2746 120.5672 59.1234 29.4503 179.2595 131 L 3.9209 7.7834 119.8706 58.5488 42.2526 178.5799 132 H 4.2350 8.5259 116.5557 59.2184 28.6890 177.5788 133 N 4.3819 8.5821 118.5141 56.1545 38.2804 177.4562 134 K 4.0078 8.3320 121.2357 59.4482 32.2395 179.0575 135 I 3.7083 7.8916 120.3142 64.1142 36.9890 178.5251 136 V 3.5494 7.7959 119.1716 65.9649 31.3278 177.6731 137 E 3.8922 8.2043 118.9917 59.4918 29.5318 178.3295 138 M 4.0002 8.2260 118.3025 58.8131 32.1936 178.3853 139 R 3.9151 8.1435 118.1362 59.3185 30.1480 178.9044 140 E 3.9350 8.1872 118.4034 59.2701 29.2116 179.1996 141 R 3.8735 7.8774 117.9849 59.4943 30.2671 178.5214 142 V 3.7110 7.7736 117.4549 66.0764 31.4033 177.8949 143 A 4.0146 8.0367 119.6096 55.1358 18.2554 179.4964 144 S 4.2441 8.2497 112.5159 59.9409 63.2876 175.5515 145 G 4.0116 8.0056 110.4981 45.1843 0.0000 174.2239 146 Q 4.2049 7.7010 116.4687 55.8754 28.9351 176.9650 147 G 3.9723 8.5912 104.0575 45.7099 0.0000 173.5363 148 L 4.5575 8.7506 120.0105 53.6239 43.6573 177.2852 149 G 3.6907 8.2521 119.4001 46.6763 0.0000 172.3653 150 E 4.2261 8.3625 121.3864 56.6809 30.3747 176.8711 151 Y 4.4687 7.9054 118.6830 60.4324 38.7156 175.2163 152 L 4.8723 7.5638 121.4226 53.3010 45.3892 173.2979 153 P 4.8515 0.0000 0.0000 61.6716 32.6169 174.2628 154 P 4.6585 0.0000 0.0000 62.3207 32.1369 176.5766 155 K 4.2671 8.7258 122.0203 55.4800 32.5870 176.6820 156 A 4.7238 8.5490 127.8284 52.0129 17.6869 177.3113 157 K 4.1758 8.7024 118.8196 59.3033 32.9999 176.4954 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 S 8.19 4.44 0.00 4.02 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 3 S 8.55 3.88 0.00 3.99 3.90 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 4 S 8.83 4.08 0.00 3.93 3.84 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 5 I 7.66 3.70 1.99 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 1.52 0.68 0.89 0.00 0.00 6 R 8.55 3.88 0.00 1.91 2.02 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 7 E 8.57 4.00 0.00 2.15 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 2.35 2.60 0.00 8 E 8.17 3.96 0.00 2.07 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 2.29 2.32 0.00 9 V 7.88 3.53 2.12 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 0.94 0.00 0.00 0.93 0.00 0.00 10 H 8.33 4.22 0.00 3.22 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.23 3.93 0.00 2.04 2.12 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 H 8.39 4.10 0.00 3.38 3.52 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.08 4.11 0.00 1.82 1.74 0.94 1.23 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 14 G 7.94 3.76 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 0.00 0.00 0.00 15 T 8.09 3.88 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 1.19 0.00 0.00 16 V 7.82 3.61 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 0.56 0.00 0.00 0.90 0.00 0.00 17 A 7.77 4.03 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 18 L 7.91 4.00 0.00 1.72 1.74 0.91 0.79 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 19 M 7.53 4.48 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 20 Q 7.31 3.92 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.36 0.00 2.08 1.97 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 22 A 8.02 4.42 1.22 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 0.00 0.00 23 L 8.30 4.31 0.00 1.65 1.67 0.93 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 24 H 8.56 4.45 0.00 3.07 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.15 4.39 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 26 Q 8.47 4.06 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 27 T 8.25 4.54 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 1.33 0.00 0.00 28 H 8.41 4.65 0.00 3.13 3.24 0.00 5.85 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 29 A 8.00 3.68 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 30 P 0.00 4.40 0.00 2.20 2.08 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 A 8.26 4.24 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 32 P 0.00 4.29 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 33 T 7.89 4.09 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 34 E 8.26 4.37 0.00 2.16 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 2.30 2.43 0.00 35 I 7.53 4.37 2.08 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 1.56 0.90 1.15 0.00 0.00 36 T 8.22 4.42 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 37 H 8.65 4.20 0.00 3.27 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.93 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 1.19 0.00 0.00 39 L 7.95 3.91 0.00 1.96 1.90 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.64 4.10 0.00 3.29 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 41 R 8.23 3.94 0.00 1.78 2.03 0.00 3.36 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 A 7.82 4.04 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 43 Y 8.12 4.23 0.00 2.87 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 44 T 7.39 4.31 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 0.57 0.00 0.00 45 R 6.75 3.90 0.00 1.93 2.14 0.00 3.08 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 46 V 8.04 3.95 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 0.81 0.00 0.00 0.90 0.00 0.00 47 P 0.00 4.05 0.00 1.65 1.82 0.00 3.52 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 2.06 2.01 0.00 48 H 7.01 4.44 0.00 3.39 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.80 4.54 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 50 V 7.19 4.72 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 1.24 0.00 0.00 1.00 0.00 0.00 51 G 8.04 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 52 G 8.97 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 53 E 8.12 4.07 0.00 2.15 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 2.33 2.35 0.00 54 A 8.33 4.32 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 55 D 8.13 4.65 0.00 2.61 2.51 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 56 V 7.92 4.13 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 0.76 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.51 0.00 1.96 1.90 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 58 I 7.29 4.38 1.68 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 0.83 -0.26 0.81 0.00 0.00 59 E 8.40 3.97 0.00 1.87 1.88 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 2.27 2.29 0.00 60 Y 7.96 4.31 0.00 3.01 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 61 H 8.31 5.05 0.00 3.17 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.47 4.56 0.00 1.97 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 2.21 0.00 63 K 8.04 4.56 0.00 1.67 1.60 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.43 7.81 64 E 8.68 4.04 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 2.30 2.28 0.00 65 E 8.38 4.24 0.00 1.81 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 2.07 2.06 0.00 66 E 9.04 4.19 0.00 1.21 1.65 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 0.00 2.22 2.38 0.00 67 I 8.38 3.73 2.13 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 1.70 0.60 0.88 0.00 0.00 68 W 8.27 4.95 0.00 3.55 3.25 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 69 E 6.95 2.81 0.00 1.41 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 1.47 1.47 0.00 70 L 7.38 3.85 0.00 1.92 1.74 1.01 0.66 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 71 N 8.20 4.45 0.00 2.96 2.97 0.00 0.00 7.06 7.19 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 72 T 7.95 4.02 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 1.59 0.00 0.00 73 F 8.27 4.23 0.00 2.81 3.14 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 74 A 8.17 3.94 1.45 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 0.00 0.00 75 T 8.22 3.89 4.54 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 1.29 0.00 0.00 76 C 8.65 4.63 0.00 3.60 3.38 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 77 E 8.35 4.11 0.00 1.82 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 0.00 1.93 1.88 0.00 78 C 8.65 4.58 0.00 3.23 3.03 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 79 L 8.42 3.91 0.00 1.99 1.35 0.67 0.58 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 80 A 8.31 5.20 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.77 4.48 0.00 3.32 3.35 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 82 R 8.10 4.39 0.00 1.65 1.72 0.00 3.06 0.00 0.00 2.53 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.00 83 G 8.06 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 0.00 0.00 0.00 84 V 8.19 3.67 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 0.51 0.00 0.00 0.43 0.00 0.00 85 W 7.91 4.94 0.00 3.64 3.16 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 86 T 8.64 4.77 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 1.26 0.00 0.00 87 A 8.20 3.57 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 88 E 7.94 3.82 0.00 1.93 1.95 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 2.34 2.30 0.00 89 E 7.79 3.95 0.00 2.20 2.12 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 2.37 2.34 0.00 90 R 7.11 3.11 0.00 0.67 1.23 0.00 2.66 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.82 0.00 91 R 7.78 3.61 0.00 1.84 1.86 0.00 3.29 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 0.00 92 R 7.87 3.77 0.00 1.84 2.01 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.91 4.22 0.00 2.06 1.93 0.00 1.90 0.00 0.00 2.00 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.51 7.81 94 Q 8.69 4.07 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 95 N 8.46 4.99 0.00 2.75 2.89 0.00 0.00 6.81 7.68 0.00 0.00 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 C 7.49 4.15 0.00 3.02 2.71 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 0.00 0.00 0.00 0.00 97 D 8.27 4.41 0.00 2.83 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 98 V 7.15 3.72 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 0.81 0.00 0.00 1.16 0.00 0.00 99 G 8.18 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 0.00 100 Q 8.84 4.03 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 101 T 7.94 3.94 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 0.00 102 V 7.82 3.63 2.35 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 1.12 0.00 0.00 0.98 0.00 0.00 103 Y 8.41 4.22 0.00 3.24 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 0.00 104 L 7.72 4.54 0.00 1.63 1.68 1.08 0.81 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 0.00 105 G 8.38 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 0.00 106 M 7.18 4.66 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 107 P 0.00 4.60 0.00 2.45 2.15 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 108 Y 8.86 4.22 0.00 2.94 2.86 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 0.00 109 Y 8.22 4.22 0.00 3.00 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 0.00 110 G 8.44 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 0.00 111 R 8.36 4.16 0.00 2.18 2.10 0.00 3.31 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 112 W 8.20 4.42 0.00 3.76 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 0.00 113 L 8.62 4.22 0.00 2.27 2.10 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.25 4.09 0.00 1.86 1.79 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.27 4.10 4.59 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 1.42 0.00 0.00 116 A 8.30 4.02 1.57 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 0.00 117 A 8.16 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 0.00 118 R 8.14 3.85 0.00 2.13 2.22 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 119 I 7.84 3.73 1.52 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 1.64 1.02 0.19 0.00 0.00 120 L 7.48 4.11 0.00 1.91 1.73 0.89 0.64 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 0.00 121 V 7.46 3.90 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 1.37 0.00 0.00 0.95 0.00 0.00 122 D 8.46 4.37 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 0.00 123 K 7.68 4.21 0.00 1.73 1.18 0.00 2.09 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.44 7.81 124 Q 7.74 3.39 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 125 F 8.10 4.53 0.00 3.13 2.98 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 0.00 0.00 0.00 126 V 7.30 4.69 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 0.80 0.00 0.00 0.94 0.00 0.00 127 T 9.03 4.22 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 0.00 128 L 8.29 3.91 0.00 1.70 1.61 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.79 3.83 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 1.21 0.00 0.00 130 E 8.27 3.97 0.00 2.16 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 2.33 2.31 0.00 131 L 7.78 3.92 0.00 1.78 1.81 0.93 0.89 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 0.00 132 H 8.53 4.23 0.00 3.31 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.58 4.38 0.00 2.91 2.87 0.00 0.00 6.70 6.96 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 0.00 134 K 8.33 4.01 0.00 1.93 2.02 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.89 3.71 2.03 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 1.40 0.60 0.89 0.00 0.00 136 V 7.80 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 1.03 0.00 0.00 1.00 0.00 0.00 137 E 8.20 3.89 0.00 2.15 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 2.31 2.47 0.00 138 M 8.23 4.00 0.00 2.25 2.19 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 2.63 0.00 139 R 8.14 3.92 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 140 E 8.19 3.94 0.00 2.24 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 2.33 2.50 0.00 141 R 7.88 3.87 0.00 1.99 2.09 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 142 V 7.77 3.71 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 0.95 0.00 0.00 0.99 0.00 0.00 143 A 8.04 4.01 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 0.00 144 S 8.25 4.24 0.00 4.02 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 0.00 145 G 8.01 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 0.00 146 Q 7.70 4.20 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 147 G 8.59 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 0.00 148 L 8.75 4.56 0.00 1.67 1.62 0.98 1.22 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 0.00 149 G 8.25 3.69 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 0.00 0.00 0.00 150 E 8.36 4.23 0.00 1.92 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 1.61 1.73 0.00 151 Y 7.91 4.47 0.00 3.24 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 0.00 152 L 7.56 4.87 0.00 1.80 1.54 0.95 0.97 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 0.00 153 P 0.00 4.85 0.00 2.12 2.04 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 154 P 0.00 4.66 0.00 1.96 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 155 K 8.73 4.27 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.54 7.81 156 A 8.55 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.70 4.18 0.00 1.87 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.42 7.81