NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2005 0.0000 0.0000 62.0880 33.5755 177.0144 3 L 3.9788 8.0201 118.3178 54.1239 41.9366 176.0426 4 K 4.0076 10.7800 126.2225 56.2211 34.2681 175.8978 5 P 4.2214 0.0000 0.0000 66.1199 31.4442 178.0403 6 E 4.0444 8.2078 117.5376 59.0269 29.2112 178.0700 7 E 4.2891 8.1909 119.3187 59.3550 29.6752 179.1668 8 H 4.1992 8.5954 117.9011 59.0235 29.8373 176.9308 9 E 3.8962 8.5019 121.7698 59.2404 29.3825 178.2540 10 D 4.3868 8.1436 118.4410 57.5763 40.9109 178.7767 11 I 3.6916 7.3452 119.1133 64.6001 36.9472 178.2993 12 L 3.9385 7.4762 118.1129 58.4211 41.2889 178.6280 13 N 4.3309 8.3629 117.1467 55.7393 39.0087 176.5947 14 K 4.0204 8.6990 120.9726 59.8273 32.3505 178.2577 15 L 4.2478 7.7357 116.4395 56.0837 41.6456 178.5323 16 L 4.2581 8.8025 121.7828 56.8178 42.4729 176.0174 17 D 4.3356 7.4800 118.6113 53.9291 40.9767 175.0182 18 P 4.3379 0.0000 0.0000 64.7087 31.6167 176.8902 19 E 4.4611 8.7867 118.3717 55.5538 29.4365 175.3628 20 L 4.0761 7.5531 118.6909 53.9453 42.5035 176.5260 21 A 4.0978 8.5008 127.8621 52.7956 18.8949 178.0625 22 Q 4.2160 8.4955 119.0566 58.1477 29.2951 178.3831 23 S 4.1502 7.8817 115.3244 61.5797 63.5258 176.0831 24 E 4.1008 8.1321 121.8270 58.1965 29.4405 178.7192 25 R 4.1743 7.6655 114.5718 58.5173 30.0071 178.8545 26 T 3.9672 7.6243 117.1579 66.2949 68.4386 176.4065 27 E 3.9342 8.1209 120.7225 59.1066 29.7567 178.7834 28 A 3.9850 7.8823 120.3755 55.2598 18.5173 179.7016 29 L 4.0373 7.8948 117.0196 57.6781 41.5519 179.7581 30 Q 4.0650 7.9238 118.1682 58.8359 28.6004 178.5015 31 Q 4.0635 8.0030 118.8755 58.7793 28.7661 178.5637 32 L 4.0589 7.8802 119.8933 57.9922 41.6130 179.1588 33 R 3.9109 8.0369 118.5977 59.3036 30.0178 178.2178 34 V 3.5938 8.3589 118.0945 66.4121 31.4824 177.6237 35 N 4.3463 8.6607 116.6412 57.0149 38.7515 176.1164 36 Y 4.1865 8.8367 121.2769 60.5647 38.8578 178.2022 37 G 3.6378 8.6271 107.0947 47.8623 0.0000 175.4784 38 S 4.0866 8.1775 115.9807 61.0477 62.3772 175.5141 39 F 3.8733 8.3401 123.3642 61.5641 39.0279 176.9233 40 V 3.5251 7.8611 117.5654 66.5902 31.3771 177.3678 41 S 4.0508 8.1962 112.1164 61.9112 62.0734 175.7758 42 E 4.0807 8.6330 120.6083 59.8685 29.3800 179.0040 43 Y 4.1365 8.5262 119.5695 60.9803 38.7586 177.9720 44 N 4.2885 8.9153 117.5370 56.1851 38.5150 177.1859 45 D 4.2869 7.8622 120.0937 57.2723 41.0707 178.1553 46 L 3.9044 7.8152 120.6920 58.9205 41.5771 179.3725 47 T 3.6900 7.8734 115.4166 65.9680 68.1283 176.4706 48 K 4.0163 7.6619 121.5977 58.8508 32.4135 178.7587 49 S 4.0876 8.6681 113.9801 61.3246 62.1768 175.5003 50 H 4.2441 8.4282 121.2091 58.7789 29.6475 176.8056 51 E 3.9234 7.9339 120.9699 58.8592 29.4080 178.8639 52 K 3.8461 7.8203 119.8190 59.5086 32.2908 178.5201 53 L 3.9154 7.8032 120.2474 58.0647 41.7074 179.0118 54 A 3.8920 8.1338 120.6516 54.9730 18.4285 179.0787 55 A 4.1235 7.6955 120.6847 54.8790 18.3916 179.6150 56 E 3.9101 8.1587 116.7055 59.5127 29.5171 179.6315 57 K 3.9280 7.7114 119.6502 59.5364 31.9042 178.5793 58 D 4.3520 8.2602 119.4354 57.2700 40.6950 178.1791 59 D 4.3574 8.1244 118.3828 57.4751 41.2643 178.2614 60 L 3.9607 7.8525 119.3262 57.8232 41.5274 179.5827 61 I 3.6352 8.1921 119.9731 64.3760 37.2248 178.5019 62 V 3.5376 7.8083 118.7642 66.1357 31.5057 177.4527 63 S 4.0828 8.6136 113.0678 62.0761 62.1016 176.2169 64 N 4.4270 8.6776 119.0228 56.4126 38.0945 177.6187 65 S 4.1745 8.4445 116.9410 61.4232 62.6170 176.7283 66 K 4.0219 7.8227 121.3654 59.2978 32.1803 178.6963 67 L 4.1506 7.7850 118.8891 57.8722 41.3123 179.2755 68 F 4.0926 9.0307 120.8598 61.1342 39.3796 176.9101 69 R 3.9219 8.0012 117.9650 58.4713 29.7103 177.6321 70 Q 4.3566 8.0849 117.1081 57.2890 29.1933 177.3997 71 I 3.8973 7.1225 119.4871 63.0010 37.1246 177.6064 72 G 3.6525 7.5232 105.6138 46.3884 0.0000 174.7588 73 L 4.0711 7.0421 119.0983 57.8337 41.9325 177.4530 74 T 4.1302 7.4058 118.1677 63.6826 68.4366 174.5717 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 P 0.00 4.20 0.00 2.01 2.09 0.00 3.60 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 3 L 8.02 3.98 0.00 1.96 1.73 1.01 0.63 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 4 K 10.78 4.01 0.00 1.68 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 5 P 0.00 4.22 0.00 2.04 2.19 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 6 E 8.21 4.04 0.00 2.02 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 2.39 2.36 0.00 7 E 8.19 4.29 0.00 2.21 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 2.43 2.29 0.00 8 H 8.60 4.20 0.00 3.23 3.48 0.00 5.59 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 9 E 8.50 3.90 0.00 2.32 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 2.32 2.40 0.00 10 D 8.14 4.39 0.00 2.83 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 11 I 7.35 3.69 1.96 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 1.51 0.81 0.87 0.00 0.00 12 L 7.48 3.94 0.00 1.77 1.71 1.02 0.97 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 13 N 8.36 4.33 0.00 2.89 2.89 0.00 0.00 6.73 6.13 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 14 K 8.70 4.02 0.00 1.96 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 15 L 7.74 4.25 0.00 1.79 1.68 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.80 4.26 0.00 1.43 1.78 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.48 4.34 0.00 2.81 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 18 P 0.00 4.34 0.00 2.07 2.09 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 2.02 2.06 0.00 19 E 8.79 4.46 0.00 1.86 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 2.25 2.22 0.00 20 L 7.55 4.08 0.00 1.66 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.50 4.10 1.27 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 0.00 0.00 22 Q 8.50 4.22 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 23 S 7.88 4.15 0.00 4.09 4.10 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 0.00 0.00 0.00 24 E 8.13 4.10 0.00 2.03 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 0.00 2.39 2.36 0.00 25 R 7.67 4.17 0.00 2.11 2.32 0.00 2.81 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 26 T 7.62 3.97 4.43 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 1.21 0.00 0.00 27 E 8.12 3.93 0.00 2.20 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 2.31 2.37 0.00 28 A 7.88 3.99 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 29 L 7.89 4.04 0.00 1.73 1.72 0.91 0.79 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 30 Q 7.92 4.07 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 31 Q 8.00 4.06 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 32 L 7.88 4.06 0.00 1.90 1.72 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.04 3.91 0.00 2.00 2.13 0.00 3.15 0.00 0.00 3.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 34 V 8.36 3.59 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 0.97 0.00 0.00 1.02 0.00 0.00 35 N 8.66 4.35 0.00 2.87 3.00 0.00 0.00 6.96 7.22 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 36 Y 8.84 4.19 0.00 3.20 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 37 G 8.63 3.64 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 0.00 0.00 0.00 38 S 8.18 4.09 0.00 3.93 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 39 F 8.34 3.87 0.00 3.22 2.79 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 0.00 0.00 0.00 40 V 7.86 3.53 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 0.72 0.00 0.00 0.29 0.00 0.00 41 S 8.20 4.05 0.00 3.94 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 42 E 8.63 4.08 0.00 2.13 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 2.30 2.43 0.00 43 Y 8.53 4.14 0.00 3.23 3.30 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 44 N 8.92 4.29 0.00 3.10 2.87 0.00 0.00 7.08 7.95 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 45 D 7.86 4.29 0.00 2.86 2.67 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 0.00 0.00 0.00 0.00 46 L 7.82 3.90 0.00 1.70 1.66 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.87 3.69 4.11 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 1.07 0.00 0.00 48 K 7.66 4.02 0.00 1.73 1.75 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 S 8.67 4.09 0.00 3.85 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 50 H 8.43 4.24 0.00 3.27 3.23 0.00 5.64 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 51 E 7.93 3.92 0.00 2.35 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 0.00 2.30 2.36 0.00 52 K 7.82 3.85 0.00 1.79 1.92 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 53 L 7.80 3.92 0.00 1.92 1.69 0.86 1.11 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 54 A 8.13 3.89 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 55 A 7.70 4.12 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 56 E 8.16 3.91 0.00 2.18 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 2.32 2.50 0.00 57 K 7.71 3.93 0.00 1.75 1.99 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 58 D 8.26 4.35 0.00 2.89 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 59 D 8.12 4.36 0.00 2.79 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 60 L 7.85 3.96 0.00 1.87 1.70 0.91 0.94 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 61 I 8.19 3.64 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.94 0.89 0.00 0.00 62 V 7.81 3.54 2.21 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 1.00 0.00 0.00 0.97 0.00 0.00 63 S 8.61 4.08 0.00 3.92 4.07 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 0.00 0.00 0.00 64 N 8.68 4.43 0.00 2.82 2.86 0.00 0.00 7.14 7.30 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 65 S 8.44 4.17 0.00 4.01 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 66 K 7.82 4.02 0.00 1.81 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 67 L 7.79 4.15 0.00 2.00 1.76 0.94 0.86 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 68 F 9.03 4.09 0.00 3.17 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 69 R 8.00 3.92 0.00 2.11 2.11 0.00 3.15 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 70 Q 8.08 4.36 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 71 I 7.12 3.90 1.47 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 1.56 0.74 0.81 0.00 0.00 72 G 7.52 3.65 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 0.00 0.00 0.00 73 L 7.04 4.07 0.00 1.79 1.73 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.41 4.13 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 1.18 0.00 0.00