NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4050 8.3049 120.3483 55.0591 33.3829 175.3148 2 L 4.1139 8.3750 125.8063 53.2350 42.3847 175.2283 3 T 4.4406 8.4653 109.6908 62.1346 71.4541 174.3190 4 D 4.6445 7.5257 121.1892 50.5940 41.8482 172.9456 5 P 4.3192 0.0000 0.0000 64.9638 31.3750 177.9825 6 I 3.5045 7.7283 117.9999 64.3058 37.2418 177.8463 7 A 3.8815 9.4255 122.7017 55.1722 18.1213 179.0229 8 D 4.2098 8.6453 116.7163 57.7643 41.2575 178.3166 9 M 3.9358 7.8363 118.3943 58.7050 32.1793 178.0720 10 L 3.8552 8.0127 119.2614 58.0041 41.4899 179.8513 11 T 3.8138 7.9862 115.6432 66.5948 68.5016 176.9412 12 R 3.9087 8.3022 120.3659 59.4752 29.9991 179.1849 13 I 3.6068 7.8276 119.2340 64.3177 37.0277 178.2393 14 R 3.7615 7.9868 119.7595 59.6952 29.6225 178.2731 15 N 4.2665 8.8663 115.5526 56.0712 38.8306 177.0629 16 A 4.1013 8.0887 122.3869 55.5052 18.5753 179.5511 17 T 4.5925 8.0550 109.8846 64.6530 68.2875 176.2909 18 R 3.9171 7.6076 118.9663 57.6353 29.8744 177.6488 19 V 4.3308 7.7143 111.5925 60.4569 32.3383 175.2903 20 Y 3.0053 7.1198 115.6964 58.5315 35.6992 170.9526 21 K 4.2329 7.2248 114.4962 56.4230 33.0070 177.3835 22 E 4.2667 8.8607 122.1444 59.1157 29.8600 176.1544 23 S 4.9999 7.5311 110.1733 57.9797 66.5425 173.0477 24 T 4.5439 8.2262 112.0303 61.2201 70.7340 171.9486 25 D 5.4320 8.6139 127.1888 53.1624 43.3644 176.2304 26 V 4.6331 8.1982 112.3792 58.8202 36.2594 173.1875 27 P 3.5925 0.0000 0.0000 62.9376 31.5926 176.0789 28 A 4.3028 8.2813 126.6037 52.0156 19.2975 177.1300 29 S 4.4944 8.2336 111.0956 56.3144 65.5035 176.8021 30 R 3.9104 8.6199 123.3493 59.7043 29.9691 178.7038 31 F 4.4535 8.3858 119.5780 61.6662 39.2461 177.0106 32 K 3.5723 8.0321 118.8837 59.3018 31.8687 178.3267 33 E 3.5526 8.2455 119.8244 59.0882 29.0080 178.3007 34 E 3.9285 8.5837 119.7567 59.4252 29.7404 178.9203 35 I 3.6667 7.5072 119.4972 64.3154 37.0835 178.2928 36 L 3.8256 7.6425 119.7536 57.6682 41.2252 179.4866 37 R 4.0805 7.9621 118.3113 59.6828 30.0239 179.0250 38 I 3.7474 7.4233 118.1024 64.4219 37.1215 178.2973 39 L 4.1475 7.9067 119.4518 58.1321 41.3818 179.3625 40 A 4.1899 8.3477 120.5231 55.1056 18.1876 179.2446 41 R 3.8037 8.2062 116.4891 59.8986 30.2759 177.9826 42 E 4.1906 8.9215 115.9233 56.2802 29.6520 177.0606 43 G 3.7834 8.5927 108.0332 46.6697 0.0000 174.9490 44 F 4.6328 8.5530 120.7259 58.0656 39.6711 176.2931 45 I 4.7799 7.3605 111.6706 58.5366 40.5555 175.2907 46 K 4.0471 9.2061 122.3000 57.8087 32.3130 178.0048 47 G 4.1353 7.1348 104.6816 45.2681 0.0000 169.2896 48 Y 6.0111 7.6958 117.2654 56.0046 41.5346 173.8157 49 E 4.5874 8.5663 112.7547 55.5169 32.0070 175.9159 50 R 4.7705 8.7887 120.9347 57.1894 31.1261 176.0365 51 V 4.4852 8.2114 112.2722 60.8358 37.0326 172.4502 52 D 5.3625 8.7241 122.2555 52.8534 42.9057 175.9379 53 V 3.9151 8.8733 124.8646 62.4477 32.2634 175.4941 54 D 4.4349 9.8849 127.5859 55.1106 39.6049 174.0962 55 G 4.0785 8.6119 106.4570 44.7391 0.0000 174.2396 56 K 4.5924 8.0997 119.4875 53.8213 34.0609 173.7487 57 P 4.9707 0.0000 0.0000 63.4278 32.1422 174.8557 58 Y 5.1154 9.1837 122.4558 56.0062 42.6372 174.4634 59 L 4.9968 8.6704 118.9361 53.4820 45.3072 176.2865 60 R 4.0146 9.0071 124.6703 56.0805 31.3105 176.1122 61 V 4.4667 8.8255 125.5588 61.4469 33.3362 174.4813 62 Y 4.5940 9.2410 127.9505 57.1122 38.4545 175.6112 63 L 4.4797 8.3288 124.8220 54.4485 42.6630 176.8059 64 K 4.7223 7.8756 119.3233 55.2923 35.6785 174.9181 65 Y 4.7748 8.1447 117.6732 57.1015 42.6769 176.3211 66 G 4.1916 8.6271 110.7546 44.7639 0.0000 171.6898 67 P 4.6010 0.0000 0.0000 61.5018 32.6552 175.1648 68 R 4.0762 8.2871 119.2535 57.0004 30.7956 174.9470 69 R 4.7109 8.1895 121.2563 53.8557 33.5790 177.4996 70 Q 4.1969 9.0609 119.6789 57.7760 30.1224 176.2072 71 G 4.1576 7.8819 107.3385 44.2047 0.0000 173.2159 72 P 4.3573 0.0000 0.0000 63.2356 32.3144 174.9930 73 D 4.2494 8.4550 120.8345 54.6503 38.5088 171.1072 74 P 4.5815 0.0000 0.0000 62.4056 31.9774 177.0042 75 R 3.9961 7.5979 118.7207 55.8687 30.3090 175.0302 76 P 4.6938 0.0000 0.0000 61.8947 32.4541 175.7878 77 E 4.2950 8.9249 122.2786 56.9204 30.9511 175.5010 78 Q 4.8530 8.5015 122.2649 55.1608 29.9596 176.4223 79 V 3.7719 8.4093 122.2686 65.8423 31.9567 177.3494 80 I 4.2088 7.2437 122.2725 60.2805 35.5266 174.9668 81 H 4.3242 8.3326 121.6346 58.2517 29.4104 175.7263 82 H 4.2789 8.2790 119.8797 54.3519 33.0331 172.3389 83 I 4.5386 7.8164 125.2485 59.2922 40.4847 173.8442 84 R 4.5016 8.4464 130.1920 54.1071 32.9834 174.7949 85 R 3.8432 8.6346 125.4234 56.9684 30.2998 174.8129 86 I 4.1733 8.4270 123.0898 62.6135 38.1903 175.8573 87 S 4.2769 8.0498 120.9859 58.9447 63.3826 173.8117 88 K 4.6226 8.6159 124.0662 54.0759 36.2802 174.3521 89 P 4.1202 0.0000 0.0000 64.2159 31.9844 176.8840 90 G 3.7647 8.8429 110.3967 45.4536 0.0000 172.8154 91 R 4.2488 7.2586 124.0316 56.0295 30.9102 173.6474 92 R 4.0747 7.0913 119.2595 55.9805 31.5236 176.7696 93 V 4.1427 8.1111 121.3513 61.3987 33.5931 173.8297 94 Y 5.4992 8.4048 125.2205 56.4684 40.6765 175.7085 95 V 4.6780 9.0329 115.6570 59.6212 36.3876 175.8144 96 G 4.1555 10.2747 114.6061 44.4155 0.0000 174.9982 97 V 3.6751 8.4354 119.3139 64.6964 31.0939 177.9949 98 K 4.2937 8.0085 116.4375 57.1862 32.1040 176.8456 99 E 4.5733 8.4294 117.8811 55.8320 30.1223 175.9110 100 I 3.9383 7.3975 120.9750 60.1238 37.3331 174.4845 101 P 4.4030 0.0000 0.0000 62.7699 31.8183 176.5188 102 R 4.3562 8.0497 118.7499 54.0184 30.2996 175.6382 103 V 3.4889 8.2031 123.2168 63.8119 32.5588 176.1994 104 R 3.7493 9.0794 127.2996 59.1233 27.1237 176.2252 105 R 3.7562 8.8329 108.2303 57.0919 28.2420 177.5186 106 G 4.1321 8.0810 107.8413 45.8580 0.0000 176.8488 107 L 3.6863 8.2371 119.0991 56.7342 41.7593 176.3242 108 G 4.7714 7.3190 104.7584 44.2826 0.0000 171.4301 109 I 5.2403 9.1530 112.5425 59.2871 41.9335 173.8981 110 A 5.1423 8.7186 121.6850 50.2719 23.0497 175.1719 111 I 4.8424 8.6701 120.9119 59.5377 40.2571 174.7283 112 L 5.2505 8.8125 127.6124 54.0923 43.9666 175.6635 113 S 5.0326 9.1386 116.5141 57.3098 63.8671 173.3177 114 T 4.8553 8.4247 118.2920 59.6419 71.5939 175.4304 115 S 4.4439 8.6829 114.1743 59.3313 63.1330 174.6196 116 K 4.3370 8.5839 120.2028 56.2509 32.3492 176.3763 117 G 3.9210 8.0948 106.4381 44.2185 0.0000 173.0693 118 V 4.3649 7.9468 118.7973 62.9226 32.0702 175.1803 119 L 5.2975 9.1207 127.0995 53.0449 46.5059 176.1591 120 T 4.6685 8.8685 111.9874 61.2359 69.9989 175.2888 121 D 4.4476 8.8256 122.9787 56.5264 39.0774 179.2843 122 R 3.8983 7.9181 117.0355 59.3762 29.8105 178.3315 123 E 3.9679 8.2898 119.6977 58.8364 29.4130 179.4224 124 A 3.9863 8.4263 120.9456 55.3511 18.5420 179.7800 125 R 3.8833 8.1439 116.7214 59.2391 29.8825 179.1719 126 K 3.9183 8.4170 118.5444 59.5829 32.3982 178.4140 127 L 4.3253 7.8760 114.9485 54.1360 41.5917 176.9921 128 G 4.0864 7.9157 106.9211 46.6345 0.0000 174.0145 129 V 4.5051 7.8459 109.8877 59.1546 35.6564 175.7127 130 G 4.3455 8.5408 110.7135 44.9506 0.0000 172.4285 131 G 3.9701 7.4350 104.4201 46.1461 0.0000 170.7972 132 E 4.6814 8.0718 122.6755 56.0520 31.0769 177.5923 133 L 4.3803 9.1179 130.6357 54.3956 41.2121 177.0067 134 I 3.8405 8.8771 126.0088 63.4980 38.2844 175.2923 135 C 5.0163 7.5070 113.7931 57.8040 32.6820 171.5025 136 E 5.2504 8.6470 115.3723 55.1993 32.9382 174.6944 137 V 5.2549 8.6083 120.0968 60.4134 35.9605 174.9311 138 W 4.6687 7.8694 121.4095 57.5166 27.5699 174.0672 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 4.41 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.38 4.11 0.00 1.74 1.56 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.47 4.44 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 1.20 0.00 0.00 4 D 7.53 4.64 0.00 2.61 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 5 P 0.00 4.32 0.00 2.18 2.07 0.00 3.65 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 2.12 2.17 0.00 6 I 7.73 3.50 1.97 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.71 0.00 0.00 7 A 9.43 3.88 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 8 D 8.65 4.21 0.00 2.80 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 9 M 7.84 3.94 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 10 L 8.01 3.86 0.00 1.71 1.57 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.99 3.81 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 1.16 0.00 0.00 12 R 8.30 3.91 0.00 1.88 1.97 0.00 3.12 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 13 I 7.83 3.61 1.92 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 1.33 0.82 0.80 0.00 0.00 14 R 7.99 3.76 0.00 1.87 1.97 0.00 2.99 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 15 N 8.87 4.27 0.00 2.55 2.82 0.00 0.00 7.07 7.23 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 16 A 8.09 4.10 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 17 T 8.06 4.59 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 1.12 0.00 0.00 18 R 7.61 3.92 0.00 1.93 1.95 0.00 3.03 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 19 V 7.71 4.33 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 0.82 0.00 0.00 1.00 0.00 0.00 20 Y 7.12 3.01 0.00 3.01 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 0.00 0.00 0.00 0.00 21 K 7.22 4.23 0.00 1.86 1.90 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.53 7.81 22 E 8.86 4.27 0.00 2.09 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 2.56 2.45 0.00 23 S 7.53 5.00 0.00 3.29 3.48 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 24 T 8.23 4.54 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 1.19 0.00 0.00 25 D 8.61 5.43 0.00 2.52 2.65 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 0.00 0.00 0.00 26 V 8.20 4.63 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 0.89 0.00 0.00 0.86 0.00 0.00 27 P 0.00 3.59 0.00 1.77 1.73 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 28 A 8.28 4.30 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 29 S 8.23 4.49 0.00 3.97 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 30 R 8.62 3.91 0.00 1.93 2.09 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 31 F 8.39 4.45 0.00 2.98 3.06 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 32 K 8.03 3.57 0.00 1.84 1.64 0.00 1.67 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.22 7.81 33 E 8.25 3.55 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 34 E 8.58 3.93 0.00 2.32 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 2.40 2.47 0.00 35 I 7.51 3.67 1.77 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.76 0.00 0.00 36 L 7.64 3.83 0.00 1.12 1.07 0.52 0.61 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 37 R 7.96 4.08 0.00 2.06 2.06 0.00 3.39 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 38 I 7.42 3.75 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.99 0.00 0.00 39 L 7.91 4.15 0.00 1.99 1.83 0.87 0.82 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 40 A 8.35 4.19 1.50 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 41 R 8.21 3.80 0.00 1.91 2.22 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 E 8.92 4.19 0.00 2.18 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 2.47 2.61 0.00 43 G 8.59 3.78 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 0.00 44 F 8.55 4.63 0.00 3.18 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 45 I 7.36 4.78 2.11 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 1.61 0.83 0.93 0.00 0.00 46 K 9.21 4.05 0.00 2.00 1.95 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.61 7.81 47 G 7.13 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 0.00 0.00 0.00 48 Y 7.70 6.01 0.00 3.11 2.97 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 49 E 8.57 4.59 0.00 2.01 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 2.58 2.44 0.00 50 R 8.79 4.77 0.00 1.75 1.97 0.00 3.45 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 51 V 8.21 4.49 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 0.77 0.00 0.00 1.08 0.00 0.00 52 D 8.72 5.36 0.00 2.54 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 53 V 8.87 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.59 0.00 0.00 54 D 9.88 4.43 0.00 2.72 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 55 G 8.61 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 0.00 0.00 0.00 56 K 8.10 4.59 0.00 2.10 1.78 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 P 0.00 4.97 0.00 2.10 2.21 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 58 Y 9.18 5.12 0.00 2.95 2.94 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 59 L 8.67 5.00 0.00 1.59 1.63 0.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.01 4.01 0.00 1.80 1.33 0.00 3.12 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 61 V 8.83 4.47 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 0.95 0.00 0.00 0.98 0.00 0.00 62 Y 9.24 4.59 0.00 3.10 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 63 L 8.33 4.48 0.00 1.51 1.21 0.85 1.35 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 64 K 7.88 4.72 0.00 1.48 1.62 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 65 Y 8.14 4.77 0.00 3.06 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 66 G 8.63 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.60 0.00 2.25 2.21 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 68 R 8.29 4.08 0.00 1.80 1.86 0.00 3.12 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 69 R 8.19 4.71 0.00 1.68 1.82 0.00 3.25 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 70 Q 9.06 4.20 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.37 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 71 G 7.88 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 72 P 0.00 4.36 0.00 2.19 2.05 0.00 3.92 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 1.99 1.95 0.00 73 D 8.45 4.25 0.00 2.82 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 74 P 0.00 4.58 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 75 R 7.60 4.00 0.00 1.77 1.66 0.00 3.39 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.55 0.00 76 P 0.00 4.69 0.00 2.27 2.11 0.00 2.48 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 77 E 8.92 4.30 0.00 2.17 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 2.48 2.49 0.00 78 Q 8.50 4.85 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 79 V 8.41 3.77 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 0.96 0.00 0.00 0.95 0.00 0.00 80 I 7.24 4.21 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.66 0.00 0.00 81 H 8.33 4.32 0.00 3.21 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.28 4.28 0.00 1.59 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.82 4.54 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.83 0.74 0.00 0.00 84 R 8.45 4.50 0.00 1.53 1.58 0.00 3.21 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 85 R 8.63 3.84 0.00 1.67 1.80 0.00 3.46 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 86 I 8.43 4.17 2.07 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 1.12 0.71 0.89 0.00 0.00 87 S 8.05 4.28 0.00 3.94 3.71 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 88 K 8.62 4.62 0.00 1.68 1.61 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.57 7.81 89 P 0.00 4.12 0.00 2.03 2.00 0.00 3.80 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 2.14 2.10 0.00 90 G 8.84 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 91 R 7.26 4.25 0.00 1.89 1.95 0.00 3.29 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 92 R 7.09 4.07 0.00 1.24 1.25 0.00 3.57 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 V 8.11 4.14 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 0.96 0.00 0.00 0.90 0.00 0.00 94 Y 8.40 5.50 0.00 2.92 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 95 V 9.03 4.68 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 0.85 0.00 0.00 1.06 0.00 0.00 96 G 10.27 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 97 V 8.44 3.68 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 0.82 0.00 0.00 0.98 0.00 0.00 98 K 8.01 4.29 0.00 1.78 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 E 8.43 4.57 0.00 2.08 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 2.25 2.25 0.00 100 I 7.40 3.94 1.89 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 1.39 0.66 0.94 0.00 0.00 101 P 0.00 4.40 0.00 2.20 2.07 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 102 R 8.05 4.36 0.00 1.78 1.91 0.00 3.21 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 103 V 8.20 3.49 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 1.14 0.00 0.00 1.11 0.00 0.00 104 R 9.08 3.75 0.00 1.80 1.55 0.00 2.79 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 105 R 8.83 3.76 0.00 1.81 1.91 0.00 3.29 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 106 G 8.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.24 3.69 0.00 1.60 1.75 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.32 4.77 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 0.00 0.00 0.00 109 I 9.15 5.24 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 1.12 0.00 0.00 110 A 8.72 5.14 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 0.00 111 I 8.67 4.84 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.94 0.00 0.00 112 L 8.81 5.25 0.00 1.76 1.90 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.14 5.03 0.00 4.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.42 4.86 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 1.28 0.00 0.00 115 S 8.68 4.44 0.00 3.97 3.98 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 0.00 116 K 8.58 4.34 0.00 1.72 1.84 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.34 7.81 117 G 8.09 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 0.00 118 V 7.95 4.36 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 0.97 0.00 0.00 1.17 0.00 0.00 119 L 9.12 5.30 0.00 1.59 1.63 0.99 0.56 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 0.00 120 T 8.87 4.67 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 1.32 0.00 0.00 121 D 8.83 4.45 0.00 2.95 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 0.00 122 R 7.92 3.90 0.00 2.05 2.24 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 123 E 8.29 3.97 0.00 2.24 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 2.36 2.37 0.00 124 A 8.43 3.99 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 0.00 125 R 8.14 3.88 0.00 2.13 2.02 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 126 K 8.42 3.92 0.00 1.85 1.99 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 7.88 4.33 0.00 1.78 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.92 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 0.00 129 V 7.85 4.51 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 0.00 130 G 8.54 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 0.00 0.00 0.00 0.00 131 G 7.43 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 0.00 132 E 8.07 4.68 0.00 2.42 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 0.00 2.32 2.25 0.00 133 L 9.12 4.38 0.00 1.75 1.55 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.88 3.84 2.07 0.00 0.00 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 1.46 1.02 0.88 0.00 0.00 135 C 7.51 5.02 0.00 2.98 2.94 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 0.00 136 E 8.65 5.25 0.00 2.19 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 2.38 2.36 0.00 137 V 8.61 5.25 1.54 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 -0.25 0.00 0.00 0.66 0.00 0.00 138 W 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