NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6628 8.2833 119.1995 53.1815 39.6758 174.4551 7 I 3.4429 8.5078 127.8307 63.8146 37.1158 176.5096 8 Q 3.8015 8.7794 121.0408 59.4233 29.4789 177.5598 9 D 4.2597 9.4689 121.0475 57.2430 40.9014 178.9994 10 K 3.9040 8.2662 119.1498 59.0728 31.9941 179.3923 11 A 3.3697 7.5968 121.0703 54.8921 18.2988 179.7310 12 L 3.5212 7.2467 117.4175 57.3863 41.3861 179.3809 13 E 4.1162 7.7422 120.6849 58.6838 29.5496 178.4756 14 N 4.2116 7.6755 116.6996 56.7057 39.1231 176.7809 15 F 4.5429 7.8930 120.8944 59.9024 38.6632 177.6735 16 K 4.2694 8.5457 120.2362 59.1303 31.8995 178.8546 17 A 4.0510 8.0402 119.7553 54.7722 18.4153 178.4585 18 N 4.5966 8.3343 112.1894 52.5115 39.3192 175.0224 19 Q 3.5133 7.7475 118.1840 56.8498 27.4530 174.2064 20 T 4.0423 7.6607 112.9049 63.8027 70.0427 174.4254 21 E 4.3216 8.6993 124.8345 56.1566 29.9496 176.0350 22 V 4.2858 8.7577 125.8584 61.1640 34.4267 174.3486 23 T 4.7311 8.6612 124.4792 61.9607 70.6018 173.5178 24 V 4.3298 8.5939 127.6634 61.4818 33.3409 174.3977 25 F 4.8216 8.9429 127.2273 56.0395 41.1343 175.8605 26 F 4.9339 9.2083 122.5343 56.0199 40.7164 177.0614 27 L 4.0232 8.8504 120.2454 57.8573 41.3753 178.4087 28 N 4.6442 8.3237 113.3660 52.9644 37.6648 175.7878 29 G 4.1357 8.4998 108.8079 45.4012 0.0000 174.1311 30 F 4.4406 8.6782 122.3135 58.2281 40.0359 173.5044 31 Q 4.6110 6.5899 121.8149 54.3598 31.7512 174.0371 32 M 4.5278 8.6768 120.5028 53.7973 35.6770 173.4284 33 K 4.7560 8.3590 127.4849 55.2637 34.0282 175.7785 34 G 4.0884 8.2438 113.0865 46.2391 0.0000 171.3005 35 V 4.9435 8.0760 120.2549 60.9740 34.3770 176.3013 36 I 4.4513 8.4033 128.5629 61.5951 37.4587 176.2098 37 E 4.5048 9.2585 128.0200 58.1374 30.7823 176.2143 38 E 4.6900 7.8815 114.8296 56.1483 31.8809 173.3043 39 Y 5.0685 7.2914 115.6500 56.9102 39.0258 173.1551 40 D 4.7082 8.7291 118.8939 52.4842 41.7566 175.4570 41 K 4.0426 8.7164 116.8885 59.8967 32.4215 176.8834 42 Y 4.9071 8.4986 115.4625 57.8893 40.1758 175.2758 43 V 5.2177 7.7603 110.0240 59.6527 36.9158 174.5197 44 V 4.9113 8.9126 121.2551 61.3686 35.1062 173.9237 45 S 5.2058 9.4057 122.8301 56.6219 64.5601 172.2162 46 L 5.2105 8.9699 129.6514 53.3759 44.7163 174.6485 47 N 5.3347 9.2347 124.9657 52.5682 40.2856 174.3844 48 S 4.6385 9.3033 118.2906 57.5656 66.3364 173.9977 49 Q 3.4624 9.7927 126.3532 57.1555 26.0924 174.8636 50 G 3.9888 8.3203 102.4530 45.5563 0.0000 173.2548 51 K 4.6770 7.9043 118.4420 54.2572 35.6779 175.1310 52 Q 4.6330 8.3625 120.0328 55.7887 30.0238 175.1366 53 H 4.8205 8.8907 119.3251 53.9450 32.5858 172.0804 54 L 4.8489 8.6913 125.7972 53.7185 43.1423 175.2332 55 I 4.6177 8.6844 128.1812 59.5856 40.0221 174.9810 56 Y 4.7319 8.5201 124.6543 57.3672 38.7364 176.9135 57 K 4.0500 9.2828 125.0880 59.5938 32.4044 178.9274 58 H 4.3299 8.3967 112.9233 57.6431 28.7881 175.7046 59 A 4.6543 8.3347 122.2846 52.0553 19.4642 176.2465 60 I 4.5064 7.5038 117.4846 60.2012 38.6215 175.3009 61 S 4.5785 8.9610 119.7971 60.2153 63.2545 174.2667 62 T 4.7176 7.4510 114.2084 62.1792 73.1307 171.9738 63 Y 5.1416 8.6135 121.3420 56.6511 40.3902 175.3321 64 T 4.8323 9.1003 120.1800 61.8962 72.4922 173.4657 65 V 4.6614 8.2779 116.9289 59.4320 36.0261 175.3197 66 E 4.1465 8.6450 121.9355 56.5006 29.5589 176.0211 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 6 N 8.28 4.66 0.00 2.72 2.77 0.00 0.00 7.05 6.84 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 7 I 8.51 3.44 1.84 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 1.50 0.30 0.88 0.00 0.00 8 Q 8.78 3.80 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 9 D 9.47 4.26 0.00 2.70 2.70 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 10 K 8.27 3.90 0.00 1.85 1.74 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 11 A 7.60 3.37 0.88 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 0.00 0.00 12 L 7.25 3.52 0.00 0.73 0.13 0.53 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.74 4.12 0.00 2.28 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 2.31 2.24 0.00 14 N 7.68 4.21 0.00 2.67 2.65 0.00 0.00 7.27 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 15 F 7.89 4.54 0.00 3.03 2.89 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 16 K 8.55 4.27 0.00 2.14 2.09 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.52 1.59 7.81 17 A 8.04 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.33 4.60 0.00 2.90 2.91 0.00 0.00 7.15 7.21 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 19 Q 7.75 3.51 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 20 T 7.66 4.04 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 1.17 0.00 0.00 21 E 8.70 4.32 0.00 1.81 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 2.29 2.23 0.00 22 V 8.76 4.29 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 0.89 0.00 0.00 0.18 0.00 0.00 23 T 8.66 4.73 4.28 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 0.00 0.00 0.00 0.79 0.00 0.00 24 V 8.59 4.33 1.77 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 0.27 0.00 0.00 0.89 0.00 0.00 25 F 8.94 4.82 0.00 2.84 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 26 F 9.21 4.93 0.00 3.23 3.08 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 27 L 8.85 4.02 0.00 1.76 1.81 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.32 4.64 0.00 2.88 2.98 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.50 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 30 F 8.68 4.44 0.00 3.12 3.08 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 31 Q 6.59 4.61 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.48 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 32 M 8.68 4.53 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 33 K 8.36 4.76 0.00 1.67 1.59 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.35 7.81 34 G 8.24 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 35 V 8.08 4.94 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 1.14 0.00 0.00 0.98 0.00 0.00 36 I 8.40 4.45 1.98 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 1.44 1.01 1.17 0.00 0.00 37 E 9.26 4.50 0.00 1.86 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 2.32 2.62 0.00 38 E 7.88 4.69 0.00 2.00 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 2.24 2.24 0.00 39 Y 7.29 5.07 0.00 3.32 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 40 D 8.73 4.71 0.00 2.79 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 41 K 8.72 4.04 0.00 1.16 1.72 0.00 1.13 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 0.46 7.81 42 Y 8.50 4.91 0.00 3.17 3.16 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 43 V 7.76 5.22 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 0.64 0.00 0.00 1.05 0.00 0.00 44 V 8.91 4.91 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 1.16 0.00 0.00 1.15 0.00 0.00 45 S 9.41 5.21 0.00 3.91 3.75 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 46 L 8.97 5.21 0.00 1.83 1.55 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.23 5.33 0.00 2.78 2.76 0.00 0.00 5.95 7.28 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 48 S 9.30 4.64 0.00 3.84 3.62 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 49 Q 9.79 3.46 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 50 G 8.32 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.90 4.68 0.00 1.76 1.54 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 52 Q 8.36 4.63 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 53 H 8.89 4.82 0.00 3.29 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.69 4.85 0.00 1.58 1.49 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.68 4.62 2.06 0.00 0.00 1.00 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 0.80 1.13 0.00 0.00 56 Y 8.52 4.73 0.00 2.86 2.43 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 57 K 9.28 4.05 0.00 1.98 2.00 0.00 1.99 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.65 1.56 7.81 58 H 8.40 4.33 0.00 3.24 3.50 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.33 4.65 1.57 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 0.00 0.00 0.00 60 I 7.50 4.51 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.75 0.30 0.00 0.00 61 S 8.96 4.58 0.00 3.85 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 62 T 7.45 4.72 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 1.14 0.00 0.00 63 Y 8.61 5.14 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 64 T 9.10 4.83 4.40 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 1.23 0.00 0.00 65 V 8.28 4.66 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 0.26 0.00 0.00 1.04 0.00 0.00 66 E 8.64 4.15 0.00 1.89 1.81 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 2.24 2.35 0.00