NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A M 4.7288 8.3049 118.2001 55.4502 33.0098 175.8257 1P R 4.1682 7.6700 121.7940 57.6023 30.5180 177.4452 2P S 3.4128 8.1561 113.2533 58.4175 67.2443 174.2107 3P R 4.1961 8.7627 119.0132 54.4686 31.8644 172.2818 4P P 4.0975 0.0000 0.0000 62.7889 31.1398 177.2417 5P S 4.3284 8.8884 118.6079 56.8853 62.7875 174.6490 6P F 5.0504 8.2207 126.8017 57.4377 40.6978 172.0900 7P H 4.4277 9.0470 121.9669 55.2097 28.5000 171.6880 8P P 4.2197 0.0000 0.0000 64.3729 31.5959 176.3556 9P L 4.1010 7.8705 118.9193 53.5671 43.2315 177.6133 10P S 4.4777 8.4784 117.3642 58.0577 63.8525 174.8176 11P D 4.5308 8.7771 120.5866 57.1987 40.8171 178.4028 12P E 3.9536 8.2078 119.1381 59.3162 29.5164 178.7875 13P L 3.9981 7.8306 120.0742 58.1386 42.3274 179.0327 14P V 3.5823 7.7961 117.7452 66.1986 31.4384 177.5874 15P N 4.3831 8.8772 116.6384 56.1446 38.4522 176.8941 16P Y 4.0385 8.3715 121.4311 60.6364 38.6845 178.2407 17P V 3.3023 7.6931 118.0720 66.0260 31.8534 177.5260 18P N 4.2399 7.8569 115.9436 56.0329 38.1095 177.6231 19P K 3.9722 8.1713 119.5385 59.0946 32.1483 179.2941 20P R 3.6503 7.3832 117.7578 56.4914 31.1703 176.0229 21P N 3.9584 7.1964 115.7538 54.5898 37.6289 172.1055 22P T 4.6990 6.7439 110.6416 60.4687 71.9082 176.1942 23P T 4.5269 8.6154 114.4479 62.0657 68.8986 173.7215 24P W 5.2697 7.5287 116.4205 55.6782 31.2126 173.7611 25P Q 4.5022 8.6819 117.6476 54.0064 30.7064 175.3307 26P A 4.7093 8.6954 125.3129 51.3257 20.2895 176.7217 27P G 4.0944 8.0770 107.7866 44.7603 0.0000 172.8269 28P H 4.4953 8.5938 117.4381 54.9996 28.3501 175.3749 29P N 4.4625 8.7161 123.0707 54.3924 39.0403 175.9062 30P F 4.9175 7.8168 115.7314 55.6962 41.5239 174.0658 31P Y 4.7476 8.0728 121.5387 57.1506 41.5520 173.2292 32P N 3.1506 8.0805 121.1908 53.6054 36.8447 174.3977 33P V 2.9681 6.5163 111.0499 58.3327 32.5951 175.5897 34P D 4.6173 8.3894 123.6248 53.5525 41.8122 176.7476 35P M 3.9897 8.5812 123.0035 58.4686 32.0418 178.5849 36P S 4.0769 7.7876 112.8932 61.6036 62.4917 175.3442 37P Y 4.0461 7.7270 122.1480 60.8720 38.2754 178.2307 38P L 3.6083 7.8446 118.0834 57.0971 42.1000 178.7919 39P K 4.1034 7.4412 117.1587 58.4358 32.1620 178.8400 40P R 3.9331 7.6432 117.7642 58.5357 29.9708 178.1133 41P L 4.0163 7.1188 118.4043 56.7480 42.7284 177.2906 42P C 4.3370 7.4888 117.4948 58.2334 26.6163 173.9650 43P G 3.9259 7.6525 116.6880 45.3502 0.0000 171.4677 44P T 4.2961 7.3605 114.7670 61.1594 71.8330 173.8729 45P F 4.7837 8.5144 124.9112 56.1085 39.2009 175.9487 46P L 4.2690 8.5192 125.9049 55.1793 42.3418 176.8410 47P G 3.8725 8.6306 106.5707 46.8005 0.0000 175.0480 48P G 4.0387 7.1862 109.6813 44.2854 0.0000 172.6446 49P P 4.4213 0.0000 0.0000 62.4274 32.1174 175.8570 50P K 4.6170 8.1592 120.4513 54.0398 34.3705 174.6687 51P P 4.5399 0.0000 0.0000 61.5600 32.2057 174.9254 52P P 4.3055 0.0000 0.0000 65.8033 31.2396 177.0361 53P Q 4.3330 7.6127 114.2935 55.0623 30.3419 175.1160 54P R 4.2215 7.9251 116.6005 56.2607 31.5743 174.5744 55P V 4.0287 8.1678 119.1430 60.9135 32.9413 174.6754 56P M 4.7909 7.5913 119.6660 54.6318 35.1873 173.6722 57P F 4.7987 8.7030 119.1272 56.0874 41.9802 175.9128 58P T 4.7848 8.5678 124.2542 62.9969 69.2755 173.8353 59P E 4.7663 8.0639 117.3908 54.4851 32.7849 176.5268 60P D 4.7220 8.4979 122.1397 54.3275 38.4212 175.7509 61P L 4.2023 7.7558 121.4205 54.4005 42.8742 177.6018 62P K 4.1728 8.4395 119.8893 56.6260 32.2936 176.4023 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 1A M 8.30 4.73 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 1P R 7.67 4.17 0.00 1.98 2.05 0.00 3.26 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 1.66 1.85 0.00 2P S 8.16 3.41 0.00 4.08 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 3P R 8.76 4.20 0.00 1.71 1.77 0.00 3.09 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 4P P 0.00 4.10 0.00 2.12 1.75 0.00 4.04 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 1.83 1.88 0.00 5P S 8.89 4.33 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6P F 8.22 5.05 0.00 3.09 3.11 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 0.00 0.00 0.00 7P H 9.05 4.43 0.00 3.44 3.59 0.00 5.52 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 8P P 0.00 4.22 0.00 2.14 1.96 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 9P L 7.87 4.10 0.00 1.72 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10P S 8.48 4.48 0.00 4.10 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 11P D 8.78 4.53 0.00 2.92 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 12P E 8.21 3.95 0.00 2.05 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 2.44 2.34 0.00 13P L 7.83 4.00 0.00 1.83 1.71 0.90 0.75 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 14P V 7.80 3.58 2.20 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 0.95 0.00 0.00 0.75 0.00 0.00 15P N 8.88 4.38 0.00 2.82 2.85 0.00 0.00 6.90 8.10 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 16P Y 8.37 4.04 0.00 3.09 3.13 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 17P V 7.69 3.30 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 -0.31 0.00 0.00 1.06 0.00 0.00 18P N 7.86 4.24 0.00 2.77 2.72 0.00 0.00 7.20 6.54 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 19P K 8.17 3.97 0.00 1.78 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.58 7.81 20P R 7.38 3.65 0.00 1.60 1.74 0.00 3.24 0.00 0.00 2.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.38 0.00 21P N 7.20 3.96 0.00 2.70 2.71 0.00 0.00 7.03 8.72 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 22P T 6.74 4.70 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 23P T 8.62 4.53 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 1.26 0.00 0.00 24P W 7.53 5.27 0.00 3.61 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 25P Q 8.68 4.50 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 26P A 8.70 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27P G 8.08 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 28P H 8.59 4.50 0.00 3.17 2.60 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 29P N 8.72 4.46 0.00 2.62 2.25 0.00 0.00 7.04 7.53 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 30P F 7.82 4.92 0.00 2.93 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 31P Y 8.07 4.75 0.00 2.87 2.87 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 32P N 8.08 3.15 0.00 2.19 2.84 0.00 0.00 5.81 7.25 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 33P V 6.52 2.97 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 0.74 0.00 0.00 0.97 0.00 0.00 34P D 8.39 4.62 0.00 2.73 2.53 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 35P M 8.58 3.99 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 36P S 7.79 4.08 0.00 4.15 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 37P Y 7.73 4.05 0.00 3.05 3.12 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 38P L 7.84 3.61 0.00 1.65 1.45 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39P K 7.44 4.10 0.00 1.77 1.77 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 40P R 7.64 3.93 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 41P L 7.12 4.02 0.00 1.45 1.49 -0.03 0.55 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 42P C 7.49 4.34 0.00 2.88 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 43P G 7.65 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 44P T 7.36 4.30 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 1.18 0.00 0.00 45P F 8.51 4.78 0.00 3.04 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 46P L 8.52 4.27 0.00 1.74 1.60 0.92 1.02 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 47P G 8.63 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 0.00 0.00 0.00 48P G 7.19 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 0.00 0.00 0.00 49P P 0.00 4.42 0.00 2.08 1.99 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 50P K 8.16 4.62 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 51P P 0.00 4.54 0.00 2.04 1.97 0.00 3.71 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 2.10 0.00 52P P 0.00 4.31 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 53P Q 7.61 4.33 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 54P R 7.93 4.22 0.00 1.71 1.77 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 55P V 8.17 4.03 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 0.68 0.00 0.00 0.90 0.00 0.00 56P M 7.59 4.79 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 57P F 8.70 4.80 0.00 2.96 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 58P T 8.57 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 59P E 8.06 4.77 0.00 2.04 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 2.27 2.37 0.00 60P D 8.50 4.72 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61P L 7.76 4.20 0.00 1.61 1.55 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62P K 8.44 4.17 0.00 1.71 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81