NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 D 4.5639 8.3649 120.1956 54.1962 42.2193 175.2106 -7 K 4.2045 8.5181 123.4900 55.8225 32.8586 175.0052 -6 I 4.7059 8.0381 119.5561 59.4025 41.9398 173.5719 -5 H 4.8942 8.5262 121.6905 54.3849 32.6850 172.3581 -4 H 4.7489 8.7358 121.5799 54.6141 30.9196 173.2605 -3 H 4.6508 8.7721 124.8534 55.5730 29.4504 174.7059 -2 H 5.0318 8.6250 121.4832 54.5548 30.4823 173.7020 -1 H 4.9424 8.0407 116.4306 55.2477 31.8619 172.3207 0 H 4.3110 9.1162 123.5635 56.7857 28.8651 175.1694 1 M 4.1978 7.5104 113.5391 54.7437 32.1327 174.8113 2 Y 4.6340 8.3786 117.6217 56.9603 39.4908 175.3476 3 R 4.4180 8.3644 121.4465 55.2889 31.3000 175.3452 4 I 4.1808 7.8191 125.7951 60.4639 38.0917 175.8220 5 R 4.1421 9.0394 126.0331 56.2377 30.6879 176.5304 6 V 4.4191 8.0440 115.4758 59.0479 34.7659 174.8678 7 F 3.9376 8.2810 124.7092 59.8016 38.7556 174.1383 8 G 3.5168 8.5062 116.2504 46.0530 0.0000 173.9327 9 D 4.3153 8.3848 121.8887 52.9641 41.5181 175.0548 10 P 4.3989 0.0000 0.0000 64.8651 30.8365 178.5444 11 V 3.6147 8.2842 119.8616 64.5877 31.1127 177.7879 12 L 4.1647 7.9536 118.8598 56.3523 41.2163 178.2208 13 R 4.5355 7.8964 117.2359 55.0345 30.9762 175.3946 14 K 4.2100 7.1234 120.2233 55.5571 32.7863 176.4598 15 R 4.0692 8.6653 128.2633 56.4190 30.3528 175.9961 16 A 4.2075 8.6421 129.2144 52.2645 19.2089 176.7424 17 K 4.6256 8.7212 120.3363 54.1532 34.4458 174.8200 18 P 4.8526 0.0000 0.0000 62.7828 32.1766 176.1996 19 V 3.8552 8.9129 122.3039 62.9407 32.0478 176.0506 20 T 4.5540 8.2311 114.4035 61.2670 70.7158 173.8561 21 K 4.4140 7.7448 121.2967 54.9531 32.8409 176.6689 22 F 4.4112 8.6693 124.9049 55.3449 38.0589 174.2477 23 D 5.1073 7.4812 123.8684 50.6090 42.8152 176.6672 24 E 3.9124 8.7491 117.7177 59.6609 29.3125 178.5274 25 N 4.2236 8.1389 116.6438 56.5937 39.0264 176.3327 26 L 3.7183 8.0816 121.6360 57.9912 42.0747 179.1013 27 K 3.8841 7.7718 118.0434 59.3814 31.9990 179.2360 28 K 3.9318 8.2493 120.0389 59.8020 32.0058 178.9705 29 T 4.0089 8.2187 116.3914 66.7163 68.3632 176.7210 30 I 3.7326 7.8179 121.8363 64.3419 37.0030 178.3088 31 E 4.0009 8.3603 119.5035 59.6054 29.2324 179.7118 32 R 3.8828 8.2387 118.0942 59.2912 29.9670 179.0015 33 M 4.3099 8.5291 119.0483 58.6075 31.9772 178.9129 34 I 3.5237 7.9221 119.9091 64.0502 37.1817 177.9665 35 E 4.0051 8.4117 120.4011 59.6965 29.4627 179.0726 36 T 4.0354 8.2885 115.8844 66.8751 68.5164 176.0821 37 M 4.0585 8.4178 120.4378 59.2084 32.2179 177.8839 38 Y 4.4894 7.9934 116.6468 61.5101 37.8190 178.0321 39 H 4.0798 8.4898 118.2989 58.9029 29.9168 175.8674 40 Y 4.2147 7.7775 115.7337 56.8543 37.9404 175.1598 41 D 4.5194 8.0434 118.3957 55.2959 38.9666 174.3358 42 G 4.0593 8.4065 108.0873 45.3796 0.0000 174.7649 43 V 4.4233 8.1023 110.6097 61.0802 33.3222 175.7807 44 G 4.2871 7.7210 105.4793 46.1030 0.0000 173.0255 45 L 4.6972 8.6917 123.7129 54.0085 45.9765 174.2943 46 A 4.9001 9.1717 129.5203 50.0996 21.5517 176.9952 47 A 3.5434 8.2367 122.8221 55.0446 18.0547 178.8871 48 P 4.0952 0.0000 0.0000 65.6880 31.2802 178.5846 49 Q 3.9955 8.0071 116.3231 57.6200 28.1833 178.0271 50 V 4.3651 6.8599 111.9447 60.0239 31.9991 176.3627 51 G 3.6902 8.3106 107.2946 45.6035 0.0000 173.9477 52 I 4.2004 7.1929 120.0498 59.3026 38.5176 176.4725 53 S 4.4638 8.1479 124.5456 57.1613 61.1791 172.9190 54 Q 4.9640 7.3025 121.6724 54.7728 33.1583 177.1793 55 R 4.4283 8.8278 122.3856 54.5345 28.5988 175.2765 56 F 5.3770 7.3569 116.0950 55.9561 41.8080 173.6165 57 F 5.2967 8.5285 114.0074 56.4121 41.6369 172.9534 58 V 5.1446 8.7616 112.4831 60.2118 35.6736 174.5539 59 M 4.9923 8.6095 117.4241 54.8720 35.2286 173.6593 60 D 4.8863 9.2008 120.1112 52.9752 44.3930 175.6877 61 V 4.3969 8.4005 121.0771 61.7935 32.2037 177.3389 62 G 4.1563 9.0452 110.0358 45.6090 0.0000 175.0412 63 N 4.7580 8.0168 114.7807 52.5439 39.3160 174.4872 64 G 4.1980 8.4843 105.3036 43.0498 0.0000 171.9113 65 P 4.6538 0.0000 0.0000 62.8048 32.0856 175.7089 66 V 4.5059 9.4170 124.0872 60.9384 34.2229 173.7500 67 A 4.8488 8.6537 129.5102 50.4839 20.7057 176.1873 68 V 3.7897 8.6101 123.0399 61.0308 34.0368 174.1616 69 I 4.8364 8.4065 128.8874 60.0222 39.7393 175.9379 70 N 4.3210 9.3721 124.5509 53.7775 36.5781 172.2958 71 P 5.1493 0.0000 0.0000 63.4102 33.2157 176.8283 72 E 4.8825 9.4119 119.0208 55.1285 34.3563 174.6770 73 I 4.2261 8.0595 124.8664 59.9043 37.3465 175.4978 74 L 4.2620 8.7711 129.1763 57.3203 42.2656 177.6875 75 E 4.8120 7.8489 115.8624 54.9242 34.3931 174.5175 76 I 4.8911 8.0477 122.0041 59.3647 40.5541 174.8854 77 D 4.5961 9.1145 128.1543 53.6651 41.2421 174.8110 78 P 4.3770 0.0000 0.0000 64.9179 32.1265 176.2318 79 E 4.3039 9.1365 122.4447 56.2829 30.6385 175.7330 80 T 5.3640 8.2666 115.4769 60.3257 72.7112 172.1052 81 E 4.7338 8.9191 120.2947 55.1130 33.4440 173.6040 82 V 4.9007 8.3461 125.3128 61.4964 33.5991 174.3641 83 A 4.7089 8.5585 127.4607 50.6806 23.3523 174.4514 84 E 4.7799 8.6718 120.4860 55.9310 30.7347 175.6348 85 E 4.7774 9.7365 125.9205 54.4237 33.3884 175.0889 86 G 3.9286 8.6577 112.4349 45.2085 0.0000 174.3217 80 L 5.3540 8.2766 123.6769 53.6257 45.3112 175.0052 81 S 4.8538 8.8091 115.7947 56.8130 67.3440 171.6040 82 F 5.4007 8.6161 126.4128 56.9964 40.2991 173.8641 83 P 4.8089 0.0000 0.0000 61.4806 36.3523 173.9514 84 E 4.7799 8.6718 120.4860 55.9310 30.7347 175.6348 85 I 4.5974 9.3165 125.6205 58.9237 42.2884 174.8889 86 F 4.5886 8.6277 123.9349 57.8085 39.7660 175.2217 95 V 4.6222 8.0995 114.2596 59.8240 36.2931 174.2305 96 E 4.7715 8.6097 121.2722 55.5744 31.0989 175.5663 97 I 4.8836 8.4507 123.8470 59.4241 41.1764 174.2717 98 E 4.6195 8.7936 127.1219 55.6602 30.3630 175.5417 99 R 4.8097 8.4528 124.3460 54.0278 34.3623 175.0066 100 S 4.3778 8.8620 116.2407 58.7104 62.8326 174.4298 101 K 4.3148 9.1017 125.1380 58.9792 33.2404 177.2183 102 R 5.3554 7.9979 118.3165 54.6519 34.9094 174.4592 103 I 5.0072 8.9141 115.2834 59.3156 41.8499 173.4029 104 K 4.8528 8.7937 124.7759 54.8672 34.2843 175.4610 105 V 4.9643 8.9217 119.9190 59.4958 36.0705 174.4041 106 K 5.1049 8.9087 122.4466 55.4788 35.9785 174.5543 107 Y 5.3023 8.9554 124.2777 56.8222 42.2198 172.8962 108 Q 5.0780 9.4593 118.5363 54.3848 32.6162 175.6471 109 N 5.3156 8.5632 119.4022 51.3930 39.5618 175.7404 110 T 4.1011 8.4243 107.1652 63.8562 68.7287 174.8630 111 R 4.3241 8.8312 120.8652 55.9440 30.4566 177.2285 112 G 2.6021 8.0664 107.0364 44.4125 0.0000 173.7315 113 E 4.0528 7.5442 119.4992 56.0513 30.8422 175.7395 114 Y 4.7656 8.4039 120.7599 57.7061 39.4227 175.0577 115 V 4.4249 8.9263 121.3876 61.1782 35.4638 173.7418 116 E 5.1276 8.3368 126.2994 54.6371 32.7775 173.9179 117 E 4.7260 8.9990 122.3800 55.6884 33.4909 173.3883 118 E 4.9455 8.6802 121.7048 54.9056 31.1377 174.9640 119 L 5.0922 9.0050 126.1029 53.1091 46.4899 175.1098 120 E 4.9917 8.3865 118.1459 54.6140 33.7249 175.9209 121 G 3.8078 9.0146 108.6608 46.4346 0.0000 175.1884 122 Y 4.3157 8.9960 119.8213 60.8752 38.6346 177.8405 123 A 3.9269 8.2837 120.7188 55.4617 18.4246 179.3421 124 A 3.9748 7.8599 118.7574 55.0975 18.3215 179.9391 125 R 3.7996 7.9947 117.2839 59.6649 30.2206 178.9401 126 V 3.3577 7.8265 118.4613 65.7113 31.4334 177.6424 127 F 3.8767 8.2868 120.3869 61.4765 39.2846 177.1456 128 Q 4.2223 8.2962 117.6559 59.2020 28.2734 178.2330 129 H 3.9890 8.1374 118.3535 59.4137 29.9458 176.9256 130 E 3.8328 7.9449 120.3841 58.9237 29.0380 178.9698 131 F 4.1245 8.1732 121.0270 61.4405 39.3989 176.6260 132 D 4.2896 8.5329 118.7970 57.9869 40.6162 178.5921 133 H 4.1276 7.5909 116.3654 59.0933 28.6249 177.7082 134 L 3.9844 7.8300 120.0892 56.6223 40.3199 178.1709 135 N 4.7951 7.8404 115.6142 52.5358 38.7386 175.7619 136 G 3.9159 7.8987 104.8762 45.3382 0.0000 173.7528 137 V 4.3538 6.9363 115.7044 60.8097 32.9178 175.0993 138 L 4.7346 8.8587 126.2676 52.1333 45.3034 177.4275 139 I 3.4421 7.8552 113.3008 64.0238 37.1765 178.2911 140 I 3.5825 6.9311 112.6357 62.8951 37.3997 176.2714 141 D 4.5529 7.8011 119.7693 55.4809 40.9134 176.9090 142 R 4.5983 7.8371 117.9216 55.4928 31.0696 175.4966 143 I 3.8533 7.7811 118.7854 62.0128 37.5351 175.5883 144 S 4.4802 8.9150 122.8926 57.0620 63.1750 172.1060 145 P 4.5201 0.0000 0.0000 63.0959 30.9965 176.0630 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 -8 D 8.36 4.56 0.00 2.65 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 -7 K 8.52 4.20 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 -6 I 8.04 4.71 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.88 0.00 0.00 -5 H 8.53 4.89 0.00 3.11 3.21 0.00 5.90 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 -4 H 8.74 4.75 0.00 3.07 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.77 4.65 0.00 3.17 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.63 5.03 0.00 3.22 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.04 4.94 0.00 3.23 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 9.12 4.31 0.00 3.20 3.50 0.00 5.73 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 1 M 7.51 4.20 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 2 Y 8.38 4.63 0.00 2.98 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 3 R 8.36 4.42 0.00 1.89 1.81 0.00 3.16 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 4 I 7.82 4.18 1.46 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.25 0.73 0.00 0.00 5 R 9.04 4.14 0.00 1.50 1.75 0.00 3.34 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 6 V 8.04 4.42 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 0.67 0.00 0.00 0.84 0.00 0.00 7 F 8.28 3.94 0.00 1.51 2.49 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 8 G 8.51 3.52 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 0.00 9 D 8.38 4.32 0.00 2.60 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 10 P 0.00 4.40 0.00 2.24 2.22 0.00 3.67 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 2.01 1.96 0.00 11 V 8.28 3.61 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 0.83 0.00 0.00 0.84 0.00 0.00 12 L 7.95 4.16 0.00 1.85 1.80 0.90 0.76 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 13 R 7.90 4.54 0.00 1.91 1.94 0.00 3.33 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 14 K 7.12 4.21 0.00 1.77 1.82 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 15 R 8.67 4.07 0.00 1.82 1.82 0.00 3.28 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 16 A 8.64 4.21 1.16 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 0.00 0.00 17 K 8.72 4.63 0.00 1.73 1.72 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.42 7.81 18 P 0.00 4.85 0.00 2.15 2.13 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 19 V 8.91 3.86 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 0.10 0.00 0.00 1.00 0.00 0.00 20 T 8.23 4.55 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 21 K 7.74 4.41 0.00 1.63 1.92 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.39 7.81 22 F 8.67 4.41 0.00 2.97 3.15 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 23 D 7.48 5.11 0.00 2.83 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 24 E 8.75 3.91 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 25 N 8.14 4.22 0.00 2.85 2.94 0.00 0.00 6.84 6.66 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 26 L 8.08 3.72 0.00 1.54 1.66 0.30 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.77 3.88 0.00 1.99 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 28 K 8.25 3.93 0.00 1.97 1.78 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 29 T 8.22 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 30 I 7.82 3.73 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.90 0.00 0.00 31 E 8.36 4.00 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 32 R 8.24 3.88 0.00 1.85 1.34 0.00 2.73 0.00 0.00 2.65 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 33 M 8.53 4.31 0.00 2.13 2.40 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 3.32 0.00 34 I 7.92 3.52 1.97 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 1.29 0.70 0.66 0.00 0.00 35 E 8.41 4.01 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 36 T 8.29 4.04 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 1.43 0.00 0.00 37 M 8.42 4.06 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.74 0.00 38 Y 7.99 4.49 0.00 3.08 2.88 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 39 H 8.49 4.08 0.00 3.18 3.37 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.78 4.21 0.00 3.09 3.05 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 0.00 0.00 0.00 0.00 41 D 8.04 4.52 0.00 2.91 2.83 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 42 G 8.41 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 43 V 8.10 4.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 44 G 7.72 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 0.00 0.00 0.00 0.00 45 L 8.69 4.70 0.00 1.76 1.49 0.90 1.13 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 46 A 9.17 4.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.24 3.54 0.12 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 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.10 0.00 2.02 2.14 0.00 3.33 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 49 Q 8.01 4.00 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 50 V 6.86 4.37 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 0.70 0.00 0.00 0.36 0.00 0.00 51 G 8.31 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 52 I 7.19 4.20 1.63 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 1.38 0.48 0.96 0.00 0.00 53 S 8.15 4.46 0.00 3.82 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 54 Q 7.30 4.96 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.52 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 55 R 8.83 4.43 0.00 1.97 1.92 0.00 3.27 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 56 F 7.36 5.38 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.53 5.30 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.76 5.14 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 0.79 0.00 0.00 0.94 0.00 0.00 59 M 8.61 4.99 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 60 D 9.20 4.89 0.00 2.81 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 61 V 8.40 4.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.02 0.00 0.00 62 G 9.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.02 4.76 0.00 2.78 2.89 0.00 0.00 7.16 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 64 G 8.48 4.20 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 0.00 65 P 0.00 4.65 0.00 2.09 2.07 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 66 V 9.42 4.51 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 1.01 0.00 0.00 1.07 0.00 0.00 67 A 8.65 4.85 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 68 V 8.61 3.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.18 0.00 0.00 69 I 8.41 4.84 2.17 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.99 0.00 0.00 70 N 9.37 4.32 0.00 3.07 3.00 0.00 0.00 7.04 7.03 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 71 P 0.00 5.15 0.00 2.52 2.11 0.00 3.94 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 72 E 9.41 4.88 0.00 2.01 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 2.38 2.47 0.00 73 I 8.06 4.23 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.29 0.78 0.00 0.00 74 L 8.77 4.26 0.00 1.57 1.70 0.90 1.16 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 75 E 7.85 4.81 0.00 1.83 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 2.27 2.31 0.00 76 I 8.05 4.89 1.86 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 1.19 0.57 0.91 0.00 0.00 77 D 9.11 4.60 0.00 2.75 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 78 P 0.00 4.38 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 79 E 9.14 4.30 0.00 2.03 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 2.31 2.26 0.00 80 T 8.27 5.36 4.35 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 1.24 0.00 0.00 81 E 8.92 4.73 0.00 2.06 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 2.23 2.27 0.00 82 V 8.35 4.90 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 0.84 0.00 0.00 0.93 0.00 0.00 83 A 8.56 4.71 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 84 E 8.67 4.78 0.00 2.02 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 2.43 2.46 0.00 85 E 9.74 4.78 0.00 1.86 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 2.28 2.29 0.00 86 G 8.66 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 80 L 8.28 5.35 0.00 1.63 1.43 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.81 4.85 0.00 3.89 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 82 F 8.62 5.40 0.00 3.20 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 83 P 0.00 4.81 0.00 2.08 1.71 0.00 2.20 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 84 E 8.67 4.78 0.00 2.02 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 2.43 2.46 0.00 85 I 9.32 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 1.16 0.54 0.91 0.00 0.00 86 F 8.63 4.59 0.00 2.85 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 95 V 8.10 4.62 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.79 0.00 0.00 96 E 8.61 4.77 0.00 1.92 1.86 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 2.36 2.34 0.00 97 I 8.45 4.88 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.88 0.00 0.00 98 E 8.79 4.62 0.00 1.98 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 2.26 2.34 0.00 99 R 8.45 4.81 0.00 1.70 1.78 0.00 3.45 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 100 S 8.86 4.38 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.10 4.31 0.00 1.76 1.85 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.43 7.81 102 R 8.00 5.36 0.00 1.65 1.73 0.00 3.08 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 103 I 8.91 5.01 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.95 0.87 0.00 0.00 104 K 8.79 4.85 0.00 1.97 1.71 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 105 V 8.92 4.96 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 -0.41 0.00 0.00 0.89 0.00 0.00 106 K 8.91 5.10 0.00 1.82 1.66 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 107 Y 8.96 5.30 0.00 3.25 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 0.00 108 Q 9.46 5.08 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.59 0.00 0.00 0.00 0.00 0.00 1.18 2.04 0.00 109 N 8.56 5.32 0.00 2.96 3.01 0.00 0.00 7.08 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 0.00 110 T 8.42 4.10 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 1.18 0.00 0.00 111 R 8.83 4.32 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 112 G 8.07 2.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.54 4.05 0.00 1.83 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 2.29 2.20 0.00 114 Y 8.40 4.77 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 0.00 115 V 8.93 4.42 1.01 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 0.62 0.00 0.00 0.75 0.00 0.00 116 E 8.34 5.13 0.00 1.89 1.68 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 0.00 2.18 2.30 0.00 117 E 9.00 4.73 0.00 2.04 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 2.16 2.29 0.00 118 E 8.68 4.95 0.00 1.95 1.86 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 2.20 2.36 0.00 119 L 9.00 5.09 0.00 1.44 1.46 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.39 4.99 0.00 2.04 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 0.00 2.26 2.33 0.00 121 G 9.01 3.81 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 0.00 0.00 0.00 122 Y 9.00 4.32 0.00 3.01 3.05 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 0.00 0.00 0.00 0.00 123 A 8.28 3.93 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.86 3.97 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 0.00 125 R 7.99 3.80 0.00 1.96 2.13 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 126 V 7.83 3.36 1.83 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 0.79 0.00 0.00 0.14 0.00 0.00 127 F 8.29 3.88 0.00 3.38 3.15 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 0.00 128 Q 8.30 4.22 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 129 H 8.14 3.99 0.00 3.17 3.34 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.94 3.83 0.00 1.16 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 2.07 1.87 0.00 131 F 8.17 4.12 0.00 3.14 3.27 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 0.00 132 D 8.53 4.29 0.00 2.78 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 0.00 133 H 7.59 4.13 0.00 3.23 3.20 0.00 5.62 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 0.00 134 L 7.83 3.98 0.00 1.37 1.53 0.99 0.42 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 0.00 135 N 7.84 4.80 0.00 2.58 2.70 0.00 0.00 6.76 8.75 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 0.00 136 G 7.90 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 0.00 137 V 6.94 4.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 138 L 8.86 4.73 0.00 1.67 1.56 1.18 0.62 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 0.00 139 I 7.86 3.44 1.56 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.30 0.65 0.00 0.00 140 I 6.93 3.58 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.42 0.50 0.00 0.00 141 D 7.80 4.55 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 0.00 142 R 7.84 4.60 0.00 1.71 1.82 0.00 3.31 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 143 I 7.78 3.85 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.88 0.00 0.00 144 S 8.91 4.48 0.00 3.83 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 0.00 145 P 0.00 4.52 0.00 2.11 2.01 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00