NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4360 8.1814 115.2963 57.8826 63.3509 174.0558 18 G 3.4280 8.7721 115.8257 46.9681 0.0000 172.7845 19 L 3.9463 8.1113 122.9226 57.9430 42.4441 176.9571 20 E 3.9388 8.2705 119.1154 59.3857 29.5448 178.5607 21 D 4.3062 8.0775 119.0880 57.2093 40.8980 178.9106 22 K 3.9913 8.1152 119.1506 59.2448 32.0656 179.6365 23 V 3.5067 8.0167 118.7977 65.9987 31.3973 178.1625 24 S 3.8408 8.2770 117.5147 62.2192 62.7189 177.5487 25 K 4.1750 8.0887 126.2094 59.8603 31.0434 180.6945 26 Q 4.1724 8.0312 120.5836 58.9597 28.9583 178.3977 27 L 4.0580 7.9714 120.0002 57.9722 41.6705 179.3016 28 E 4.1398 8.7084 119.1685 59.4561 29.1689 179.5302 29 S 4.2369 8.1035 113.1402 60.3527 63.2014 175.5762 30 K 4.4617 7.4284 119.0750 55.3758 32.1430 176.8409 31 G 3.8948 7.9494 107.1381 46.1602 0.0000 173.8110 32 I 3.9896 7.7263 121.1242 60.2212 37.3349 175.6930 33 K 4.1860 8.6584 127.8084 55.6242 32.6455 175.7285 34 F 5.1062 7.7266 119.9364 55.1050 41.1284 173.4091 35 E 4.5825 8.9902 121.0656 55.0057 30.7742 174.9331 36 Y 4.7640 8.8023 124.9753 57.1000 39.8692 174.8832 37 E 3.6486 8.3317 127.8518 57.3112 27.2802 175.3540 38 E 4.0957 8.1777 118.4590 56.3178 30.6102 175.4830 39 W 4.9658 7.8819 117.0680 54.7501 32.5574 174.3537 40 K 4.5818 8.8501 121.2480 54.5794 33.6414 175.7563 41 V 4.2587 8.3272 123.4636 60.7165 32.3691 173.5847 42 P 4.6512 0.0000 0.0000 62.5265 32.0577 174.9615 43 Y 4.8955 7.9056 118.3465 55.8835 40.8356 173.9476 44 V 4.2001 8.2685 119.5272 60.9460 33.8595 174.6951 45 I 4.2590 8.1478 128.0535 59.4931 37.7533 174.1689 46 P 4.3767 0.0000 0.0000 62.0195 31.8852 176.2080 47 A 4.2185 8.3675 123.4917 52.3939 18.9528 177.3092 48 S 4.7504 8.2863 113.9147 56.4301 66.0796 173.0968 49 N 4.8462 8.5168 119.5277 52.2329 39.7057 174.0980 50 H 5.0414 8.5023 118.8916 54.4052 33.2425 172.2078 51 T 4.7819 8.2314 108.8745 60.1695 71.5830 172.5108 52 Y 4.7347 8.5021 123.0150 56.0922 41.2789 175.0774 53 T 4.2537 7.8108 123.2379 60.7817 69.5304 172.2804 54 P 4.0961 0.0000 0.0000 62.3531 32.1276 176.9780 55 D 4.2227 8.6242 121.5991 56.6265 41.2797 176.9556 56 F 4.9215 8.5605 116.3640 55.3109 42.5965 173.6395 57 L 4.8632 8.4507 124.2257 53.1653 44.1346 176.3263 58 L 4.4574 8.4678 126.3738 53.2116 42.6663 176.2681 59 P 4.2117 0.0000 0.0000 65.5434 31.4393 177.2108 60 N 4.5841 8.1408 113.9008 52.8073 37.4681 176.3454 61 G 3.8476 8.3133 107.8181 45.1027 0.0000 173.6837 62 I 4.0885 7.5750 122.0161 60.7286 38.4790 175.0693 63 F 5.0797 9.4132 126.5164 56.4468 41.0623 175.0151 64 V 4.9952 9.3841 122.5181 61.1092 34.5354 173.8393 65 K 4.9902 9.6200 129.9841 54.9793 34.2305 174.7124 66 T 5.0516 9.9781 119.0465 60.3021 70.7499 174.3101 67 K 4.3083 8.8793 123.4797 56.3669 36.2974 174.9666 68 G 3.8614 9.2909 113.3946 46.7431 0.0000 174.8738 69 L 4.5165 8.7303 117.7132 54.5658 43.2288 177.7365 70 W 5.1818 8.3205 131.3076 55.1904 31.0624 174.5161 71 E 4.2427 8.1016 123.7427 54.3864 31.6029 176.5411 72 S 3.7793 8.4035 113.6887 61.9255 62.1225 175.5209 73 D 4.2232 7.9601 119.6317 57.5749 40.8835 177.8891 74 D 4.3345 7.8258 118.5725 57.4007 40.9873 178.7788 75 R 3.2352 7.3190 118.5044 58.9782 29.9693 179.3197 76 K 3.9602 7.9983 118.3432 59.4029 32.0123 179.6167 77 K 3.9172 7.9856 118.8166 59.5492 31.9184 178.8209 78 H 3.8319 8.4970 118.9938 59.2778 29.8174 177.3720 79 L 4.0830 7.9653 120.5459 57.7302 41.3364 179.4935 80 L 4.1692 7.8574 118.8599 57.7310 41.4657 179.6097 81 I 3.6199 7.7729 119.8224 64.3426 36.7770 178.6371 82 R 3.8745 7.6364 117.6258 59.3045 29.9844 178.6705 83 E 4.0915 7.9269 117.0087 59.5721 29.6135 179.1128 84 Q 4.1923 8.1186 116.0268 57.2303 30.5004 175.9693 85 H 5.3491 8.4887 116.2595 52.5749 29.1370 172.5348 86 P 4.4355 0.0000 0.0000 64.5012 32.1893 177.8055 87 E 4.1983 8.1181 116.6994 57.1641 30.2232 175.9136 88 L 4.7494 7.6293 120.0220 53.3181 43.6998 175.7095 89 D 4.7951 8.5696 121.7708 52.9118 42.4725 174.2318 90 I 5.1255 8.2494 126.1900 59.5174 39.5458 175.3546 91 R 4.8869 9.2767 125.2588 54.3559 34.7839 174.2482 92 I 4.8496 8.5566 120.6158 59.5366 40.6266 174.8628 93 V 4.7062 8.6471 126.8913 61.3633 33.3870 174.5768 94 F 5.4070 8.9983 126.9180 56.2646 40.9865 177.3319 95 S 4.2538 8.9716 118.2919 61.5277 63.0716 175.4414 96 S 4.6919 7.9805 114.5999 57.1185 64.8000 174.0723 97 S 3.9597 9.8085 122.3247 59.0906 63.2501 175.9304 98 R 3.9176 7.5815 120.0955 58.1227 30.5176 177.1962 99 T 3.5728 6.8559 114.0037 63.6793 68.8292 173.8267 100 K 4.4579 7.9576 124.2073 55.6644 33.0103 177.0498 101 L 4.2295 8.4115 122.7104 58.1306 41.9321 177.2569 102 Y 4.5592 6.9535 112.8597 55.5471 39.8704 172.6904 103 K 3.8851 8.9589 121.6130 58.9776 32.1014 176.6478 104 G 4.0115 8.9781 115.2128 45.2019 0.0000 173.2247 105 S 4.1224 7.7799 114.4761 57.3925 62.8018 172.3563 106 P 4.3758 0.0000 0.0000 64.5797 31.9206 176.7171 107 T 4.5615 7.5801 116.0051 62.4615 69.6467 174.7551 108 S 4.8792 8.7745 121.4045 57.1771 66.0694 175.1214 109 Y 4.5736 8.1429 120.1315 61.4467 37.4952 179.4363 110 G 2.8371 8.0149 106.6982 47.5900 0.0000 175.6124 111 E 4.2544 8.0742 120.7093 59.0669 29.5697 179.1196 112 F 4.2051 8.5253 120.8339 61.4973 39.4058 176.9622 113 C 4.4216 8.6577 116.4890 63.1070 27.5566 176.0036 114 E 4.1227 8.5201 120.1599 59.3505 28.8166 179.3713 115 K 3.9558 8.0958 118.8711 58.8556 32.2519 177.6257 116 H 4.7542 7.6482 113.5625 54.7111 28.9728 175.2009 117 G 3.9140 7.6182 107.7966 46.2418 0.0000 173.6037 118 I 4.2798 8.0016 121.0680 60.1925 37.9905 176.1166 119 K 4.5691 8.7445 127.1766 56.3623 33.2967 176.0055 120 F 5.7775 8.5000 117.6107 56.2499 41.5034 172.3041 121 A 4.6275 9.2071 120.1479 51.0652 23.1697 174.2843 122 D 5.2620 8.2806 117.3925 54.0337 43.1054 176.8302 123 K 4.2960 9.7978 128.7371 56.9997 31.5027 176.0067 124 L 4.7821 7.1735 114.0812 52.3853 45.6705 175.9878 125 I 3.5622 7.8887 121.1712 60.1674 37.9344 174.7848 126 P 3.9674 0.0000 0.0000 62.2321 32.1048 177.1856 127 A 3.9802 8.5877 124.4063 55.3414 18.1100 179.9261 128 E 4.0857 8.0426 115.5270 59.2714 29.7062 179.3672 129 W 4.6225 7.8969 121.0192 59.3320 28.9187 178.4709 130 I 3.8242 7.3699 117.4980 64.0736 36.5886 177.9037 131 K 4.2271 7.6161 117.2968 56.5799 32.3079 177.3111 132 E 4.1243 7.5556 120.1768 55.3545 30.0635 174.8319 133 P 4.3256 0.0000 0.0000 62.4122 31.9433 176.0646 134 K 4.4105 8.5284 122.4921 56.7430 32.7477 175.8711 135 K 4.7484 8.7123 125.5942 54.7911 35.4502 175.8654 136 E 4.1767 8.8707 122.2570 56.4886 30.2782 176.2993 137 V 4.1043 8.1531 123.4639 60.5483 33.2239 174.8825 138 P 4.5927 0.0000 0.0000 61.2274 29.9177 176.3682 139 F 4.1532 8.1641 125.7932 61.3428 39.4409 177.5051 140 D 4.4351 8.2513 119.1408 56.8977 40.6849 177.3801 141 R 4.2170 8.0427 116.6833 56.8540 30.4934 176.0732 142 L 4.6300 7.8959 120.2303 53.3706 44.0111 176.2439 143 K 4.6171 8.1718 120.4142 52.4611 34.4641 175.0826 144 R 4.1375 8.6860 127.1161 55.6706 30.8455 176.9843 145 K 4.2163 8.5194 123.9259 54.9233 31.7780 176.5151 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 17 S 8.18 4.44 0.00 3.91 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 0.00 18 G 8.77 3.43 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 0.00 0.00 0.00 0.00 19 L 8.11 3.95 0.00 1.77 1.69 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.27 3.94 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 21 D 8.08 4.31 0.00 2.93 2.68 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 0.00 0.00 0.00 22 K 8.12 3.99 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 23 V 8.02 3.51 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 0.91 0.00 0.00 0.95 0.00 0.00 24 S 8.28 3.84 0.00 3.97 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 25 K 8.09 4.18 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 Q 8.03 4.17 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 27 L 7.97 4.06 0.00 1.79 1.79 0.37 0.69 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 28 E 8.71 4.14 0.00 2.19 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 2.43 2.69 0.00 29 S 8.10 4.24 0.00 4.05 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 30 K 7.43 4.46 0.00 1.93 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.49 7.81 31 G 7.95 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.73 3.99 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.03 0.00 0.00 33 K 8.66 4.19 0.00 1.72 1.74 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 34 F 7.73 5.11 0.00 3.20 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 35 E 8.99 4.58 0.00 2.23 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 2.36 2.44 0.00 36 Y 8.80 4.76 0.00 3.22 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 37 E 8.33 3.65 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 38 E 8.18 4.10 0.00 1.83 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 2.22 1.47 0.00 39 W 7.88 4.97 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.85 4.58 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 41 V 8.33 4.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.65 0.00 2.13 1.98 0.00 3.80 0.00 0.00 3.99 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 43 Y 7.91 4.90 0.00 3.02 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 44 V 8.27 4.20 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 0.85 0.00 0.00 0.91 0.00 0.00 45 I 8.15 4.26 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 0.94 0.00 0.00 46 P 0.00 4.38 0.00 2.05 2.00 0.00 3.72 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 2.05 2.12 0.00 47 A 8.37 4.22 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 48 S 8.29 4.75 0.00 3.91 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 49 N 8.52 4.85 0.00 2.68 2.77 0.00 0.00 6.73 8.16 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 50 H 8.50 5.04 0.00 3.06 3.21 0.00 5.84 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 51 T 8.23 4.78 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 1.23 0.00 0.00 52 Y 8.50 4.73 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.81 4.25 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 1.12 0.00 0.00 54 P 0.00 4.10 0.00 2.27 2.11 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.95 0.00 55 D 8.62 4.22 0.00 2.73 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 56 F 8.56 4.92 0.00 3.15 2.93 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 57 L 8.45 4.86 0.00 1.22 1.45 -0.21 0.94 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 58 L 8.47 4.46 0.00 1.85 1.56 1.02 1.02 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 59 P 0.00 4.21 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 60 N 8.14 4.58 0.00 2.93 3.03 0.00 0.00 6.48 6.93 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 61 G 8.31 3.85 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 0.00 0.00 0.00 62 I 7.58 4.09 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.78 0.00 0.00 63 F 9.41 5.08 0.00 3.12 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 64 V 9.38 5.00 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 1.22 0.00 0.00 1.18 0.00 0.00 65 K 9.62 4.99 0.00 1.98 1.68 0.00 1.52 0.00 0.00 1.28 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.39 7.81 66 T 9.98 5.05 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 1.43 0.00 0.00 67 K 8.88 4.31 0.00 1.36 1.75 0.00 2.00 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.17 1.10 7.81 68 G 9.29 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 0.00 0.00 0.00 69 L 8.73 4.52 0.00 1.78 1.76 1.07 0.88 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 70 W 8.32 5.18 0.00 2.89 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 0.00 0.00 0.00 71 E 8.10 4.24 0.00 1.96 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 0.00 2.46 2.34 0.00 72 S 8.40 3.78 0.00 3.77 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 73 D 7.96 4.22 0.00 2.76 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 74 D 7.83 4.33 0.00 2.66 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 75 R 7.32 3.24 0.00 1.27 0.92 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 8.00 3.96 0.00 1.69 1.80 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 K 7.99 3.92 0.00 1.91 1.76 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.44 7.81 78 H 8.50 3.83 0.00 3.56 3.64 0.00 5.78 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 79 L 7.97 4.08 0.00 1.90 1.71 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.86 4.17 0.00 1.81 1.67 0.88 0.70 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 81 I 7.77 3.62 1.69 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.68 0.00 0.00 82 R 7.64 3.87 0.00 1.96 2.00 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 83 E 7.93 4.09 0.00 2.11 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 2.51 0.00 84 Q 8.12 4.19 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.30 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 85 H 8.49 5.35 0.00 3.22 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.44 0.00 2.16 2.16 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 87 E 8.12 4.20 0.00 2.13 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 0.00 2.36 2.27 0.00 88 L 7.63 4.75 0.00 1.62 1.59 0.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.57 4.80 0.00 2.68 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 90 I 8.25 5.13 1.91 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 1.32 0.77 1.10 0.00 0.00 91 R 9.28 4.89 0.00 1.35 1.45 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 92 I 8.56 4.85 1.26 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.81 -0.46 0.00 0.00 93 V 8.65 4.71 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 0.95 0.00 0.00 0.97 0.00 0.00 94 F 9.00 5.41 0.00 3.18 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 95 S 8.97 4.25 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.69 0.00 3.80 3.63 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 97 S 9.81 3.96 0.00 3.70 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.58 3.92 0.00 1.77 1.93 0.00 3.34 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 99 T 6.86 3.57 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 0.83 0.00 0.00 100 K 7.96 4.46 0.00 1.59 1.54 0.00 1.85 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.33 7.81 101 L 8.41 4.23 0.00 1.05 1.67 0.95 0.80 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 0.00 102 Y 6.95 4.56 0.00 3.11 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 0.00 103 K 8.96 3.89 0.00 1.77 1.90 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.58 7.81 104 G 8.98 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 0.00 105 S 7.78 4.12 0.00 2.72 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 0.00 106 P 0.00 4.38 0.00 2.05 2.05 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 107 T 7.58 4.56 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 1.34 0.00 0.00 108 S 8.77 4.88 0.00 4.11 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 0.00 109 Y 8.14 4.57 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.01 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 0.00 0.00 0.00 111 E 8.07 4.25 0.00 2.24 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 2.37 2.33 0.00 112 F 8.53 4.21 0.00 3.26 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 4.42 0.00 3.09 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.52 4.12 0.00 2.25 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 0.00 2.64 2.89 0.00 115 K 8.10 3.96 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 1.34 7.81 116 H 7.65 4.75 0.00 3.02 3.22 0.00 5.99 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.62 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.00 4.28 2.10 0.00 0.00 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 1.40 0.74 1.00 0.00 0.00 119 K 8.74 4.57 0.00 1.48 1.59 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.41 7.81 120 F 8.50 5.78 0.00 3.32 3.19 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 0.00 121 A 9.21 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.28 5.26 0.00 2.58 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 0.00 123 K 9.80 4.30 0.00 1.85 1.96 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 124 L 7.17 4.78 0.00 1.44 1.37 0.86 0.78 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 0.00 125 I 7.89 3.56 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.31 0.93 0.00 0.00 126 P 0.00 3.97 0.00 1.19 1.48 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 127 A 8.59 3.98 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 0.00 128 E 8.04 4.09 0.00 2.27 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 0.00 2.27 2.46 0.00 129 W 7.90 4.62 0.00 3.55 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 0.00 130 I 7.37 3.82 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.51 0.92 0.00 0.00 131 K 7.62 4.23 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.68 7.81 132 E 7.56 4.12 0.00 2.16 1.87 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 2.36 2.54 0.00 133 P 0.00 4.33 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 134 K 8.53 4.41 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 135 K 8.71 4.75 0.00 1.71 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.34 7.81 136 E 8.87 4.18 0.00 1.88 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 2.33 2.27 0.00 137 V 8.15 4.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.72 0.00 0.00 138 P 0.00 4.59 0.00 2.24 2.17 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 139 F 8.16 4.15 0.00 3.24 3.19 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 0.00 140 D 8.25 4.44 0.00 2.71 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 0.00 141 R 8.04 4.22 0.00 1.86 2.02 0.00 3.32 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 142 L 7.90 4.63 0.00 1.88 1.69 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.17 4.62 0.00 1.72 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.95 7.81 144 R 8.69 4.14 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 145 K 8.52 4.22 0.00 1.82 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81