NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 5.0620 8.0600 119.4689 56.0968 32.3794 173.7326 2 K 4.5881 8.6055 123.9261 55.2133 33.7836 173.5265 3 C 5.1298 10.1573 128.2489 57.0997 35.7459 172.5650 4 L 4.6372 8.7765 125.4953 55.2920 41.8165 176.4242 5 I 4.4558 9.3238 117.8891 59.1763 40.6734 175.0441 6 K 4.5076 8.5121 125.7546 54.0775 31.4509 174.1844 7 Y 4.0958 8.4229 125.0386 57.4975 39.1489 177.6521 8 S 3.9316 7.7444 120.9820 60.6361 62.9400 174.5611 9 Q 4.4872 7.2173 120.8018 55.2088 29.3892 171.0101 10 A 3.9297 8.2267 125.8889 50.6364 21.0606 176.0884 11 N 4.4397 8.7200 123.4818 53.4426 40.2328 177.3454 12 E 5.1094 9.0326 117.4205 57.0433 31.6994 175.7267 13 S 4.7627 7.9966 116.3324 57.9772 68.4223 172.7758 14 S 5.2188 8.5774 114.9033 56.7100 65.0546 173.5279 15 K 4.7182 9.1508 124.3414 54.5674 36.1110 175.1180 16 T 4.6352 8.4948 122.0021 63.3409 68.7007 175.3596 17 C 4.5453 9.0920 125.5602 56.2133 40.6012 172.5665 18 P 4.4863 0.0000 0.0000 62.4964 31.8407 175.6746 19 S 4.2373 8.3502 116.5106 57.9570 63.1182 174.5260 20 G 4.0011 7.3314 107.7655 46.6498 0.0000 172.7880 21 Q 5.2103 8.5112 118.8557 53.4512 29.3190 174.4822 22 L 4.7102 8.2802 120.8868 54.1807 43.2866 175.7667 23 L 5.0000 7.7016 118.5308 53.1623 46.4286 174.8515 24 C 5.2105 9.1757 118.7583 58.1849 30.9744 173.1638 25 L 5.8615 8.9458 121.8260 52.1585 46.1690 175.9765 26 K 4.8259 8.2838 122.0286 54.9502 34.3725 173.9988 27 K 4.6160 8.9198 128.6663 55.2932 33.8791 175.3760 28 W 5.9601 9.2430 127.5845 54.4079 30.7945 174.4931 29 E 4.5145 8.6668 127.2968 54.2261 30.6239 175.4872 30 I 4.2355 8.5990 121.8300 60.5726 35.7967 175.5326 31 G 3.8576 8.5870 117.6955 48.3377 0.0000 170.5064 32 N 5.0868 7.7034 116.3894 50.2167 42.2885 172.7341 33 P 4.4599 0.0000 0.0000 64.5913 31.3554 176.1750 34 S 4.5111 7.8461 110.8040 59.9783 64.7852 175.9039 35 G 3.8258 7.8962 109.1929 46.6339 0.0000 171.0997 36 K 4.8572 7.6807 117.1277 57.5719 36.6970 173.7858 37 E 4.2687 7.5585 118.8695 56.2580 31.9544 175.6445 38 V 4.5957 8.3609 122.1977 61.0652 31.1865 175.3471 39 K 4.4464 9.6439 127.8524 54.6955 32.0565 175.5610 40 R 4.5778 8.6236 125.1709 56.0319 31.3482 175.9278 41 G 3.9989 7.9705 107.5505 46.8269 0.0000 170.7771 42 C 5.6862 8.8908 116.9488 55.1099 39.7733 174.2196 43 V 4.7102 8.6811 121.1948 60.0911 34.6359 176.0616 44 A 4.5788 8.9129 122.6094 52.6729 19.1740 177.6482 45 T 3.9931 7.3015 103.0050 60.7217 70.4018 172.9517 46 C 4.0228 9.0053 123.2371 56.3903 43.4878 171.9765 47 P 4.4291 0.0000 0.0000 62.0185 31.5553 176.3798 48 K 3.9369 8.5785 122.6772 55.9830 32.3905 174.2723 49 P 4.9989 0.0000 0.0000 60.7901 33.2940 174.7552 50 W 4.5652 8.7715 119.1255 56.7233 31.5594 176.3634 51 K 4.5465 8.0883 116.6819 56.1211 31.8855 176.5452 52 N 4.3009 8.3760 113.0122 54.1423 35.8727 173.7333 53 E 4.3223 7.7099 117.3027 55.8069 30.2293 177.0752 54 I 3.8152 8.6426 125.6957 61.9777 38.3144 175.0881 55 I 4.8532 8.1046 125.9555 59.4487 41.2235 174.6117 56 Q 4.3336 8.9009 127.5388 54.7002 30.9570 173.1883 57 C 5.4527 8.3406 124.1776 55.5766 38.8789 172.5008 58 C 4.8971 8.7540 113.6793 54.6653 45.0687 172.9351 59 A 5.0468 8.5208 124.2964 51.0771 18.9885 176.3203 60 K 4.0787 7.8702 119.7008 57.6810 35.3708 173.9905 61 D 4.9282 7.8392 118.9528 54.4889 42.0270 176.8092 62 K 3.8449 9.1531 120.3454 57.3097 30.5500 175.6675 63 C 4.3146 7.8364 120.3909 59.5350 44.0193 174.4599 64 N 4.7145 7.7428 117.8562 51.4658 36.8312 174.7451 65 A 4.2006 7.7339 123.9951 52.4997 18.4152 177.8097 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 R 8.06 5.06 0.00 1.79 2.06 0.00 3.48 0.00 0.00 3.47 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 2 K 8.61 4.59 0.00 1.93 1.67 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.52 7.81 3 C 10.16 5.13 0.00 2.94 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 4 L 8.78 4.64 0.00 1.72 1.64 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.32 4.46 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 1.01 0.00 0.00 6 K 8.51 4.51 0.00 1.85 1.95 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.48 7.81 7 Y 8.42 4.10 0.00 3.09 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 8 S 7.74 3.93 0.00 3.79 3.72 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 9 Q 7.22 4.49 0.00 2.06 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.20 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 10 A 8.23 3.93 1.37 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 0.00 0.00 0.00 11 N 8.72 4.44 0.00 2.68 2.25 0.00 0.00 6.94 7.65 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 12 E 9.03 5.11 0.00 2.05 1.91 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 2.03 2.16 0.00 13 S 8.00 4.76 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 5.22 0.00 3.84 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 15 K 9.15 4.72 0.00 1.81 1.65 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 T 8.49 4.64 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 1.22 0.00 0.00 17 C 9.09 4.55 0.00 2.92 3.05 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 0.00 0.00 0.00 18 P 0.00 4.49 0.00 2.21 2.18 0.00 3.85 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 2.12 1.96 0.00 19 S 8.35 4.24 0.00 3.99 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 20 G 7.33 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 0.00 0.00 0.00 21 Q 8.51 5.21 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 22 L 8.28 4.71 0.00 1.62 1.64 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.70 5.00 0.00 1.53 1.48 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.18 5.21 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.95 5.86 0.00 1.52 1.47 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.28 4.83 0.00 1.79 1.50 0.00 2.21 0.00 0.00 1.89 0.00 0.00 2.72 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.77 1.67 7.81 27 K 8.92 4.62 0.00 1.94 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.46 7.81 28 W 9.24 5.96 0.00 3.24 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 29 E 8.67 4.51 0.00 2.08 1.88 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 2.35 2.27 0.00 30 I 8.60 4.24 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 1.39 0.74 0.96 0.00 0.00 31 G 8.59 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 32 N 7.70 5.09 0.00 2.75 2.62 0.00 0.00 6.92 7.71 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 33 P 0.00 4.46 0.00 2.22 2.19 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 34 S 7.85 4.51 0.00 3.94 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 35 G 7.90 3.83 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 0.00 0.00 0.00 36 K 7.68 4.86 0.00 1.62 1.71 0.00 1.98 0.00 0.00 2.39 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.02 7.81 37 E 7.56 4.27 0.00 1.94 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 2.23 2.24 0.00 38 V 8.36 4.60 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 -0.47 0.00 0.00 0.89 0.00 0.00 39 K 9.64 4.45 0.00 2.29 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 40 R 8.62 4.58 0.00 1.87 2.05 0.00 3.40 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 41 G 7.97 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 0.00 0.00 0.00 42 C 8.89 5.69 0.00 2.84 3.15 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 0.00 0.00 0.00 0.00 43 V 8.68 4.71 2.16 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 0.76 0.00 0.00 1.03 0.00 0.00 44 A 8.91 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.30 3.99 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 46 C 9.01 4.02 0.00 2.91 3.05 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 0.00 0.00 0.00 47 P 0.00 4.43 0.00 2.07 1.98 0.00 3.70 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 2.02 2.07 0.00 48 K 8.58 3.94 0.00 1.74 1.79 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.70 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.51 7.81 49 P 0.00 5.00 0.00 2.11 1.94 0.00 3.55 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 1.69 1.84 0.00 50 W 8.77 4.57 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.55 0.00 1.99 1.97 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.44 7.81 52 N 8.38 4.30 0.00 2.89 2.94 0.00 0.00 7.16 7.68 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 53 E 7.71 4.32 0.00 1.93 2.25 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 2.40 2.39 0.00 54 I 8.64 3.82 1.97 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 1.44 0.89 0.67 0.00 0.00 55 I 8.10 4.85 1.79 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 1.19 0.78 0.84 0.00 0.00 56 Q 8.90 4.33 0.00 1.75 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 57 C 8.34 5.45 0.00 2.83 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 58 C 8.75 4.90 0.00 2.92 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 59 A 8.52 5.05 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 60 K 7.87 4.08 0.00 1.76 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.22 7.81 61 D 7.84 4.93 0.00 2.70 2.57 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 62 K 9.15 3.84 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.36 7.81 63 C 7.84 4.31 0.00 2.92 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 64 N 7.74 4.71 0.00 2.77 2.79 0.00 0.00 6.96 7.52 0.00 0.00 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 A 7.73 4.20 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