NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9538 8.3393 109.7439 45.0995 0.0000 174.5197 2 T 3.9256 8.5280 112.1298 60.3662 70.7675 173.6688 3 K 3.7781 9.3635 123.2551 60.1205 32.5747 180.5475 4 Q 3.9349 7.9791 117.2648 59.0664 28.6204 178.5747 5 E 3.1107 7.7047 118.8870 59.3704 29.3946 179.8297 6 K 4.0265 7.8021 118.0932 59.6613 32.0533 179.5174 7 T 3.8631 7.9978 115.8423 66.5362 68.3188 176.4984 8 A 4.0017 7.8904 122.5223 55.0995 18.4797 179.3180 9 L 4.0904 8.2008 118.9540 58.5562 42.0957 178.9039 10 N 4.4387 8.6638 116.7484 56.6160 38.4417 177.0602 11 M 4.2023 8.4411 119.4225 58.6261 32.3519 177.9662 12 A 4.0953 8.3587 121.0576 55.3999 18.6903 179.6432 13 R 3.5997 8.4796 117.1704 59.4739 30.0422 178.1219 14 Y 4.3326 8.4467 119.8662 60.8571 38.9481 178.0940 15 I 3.4397 8.1817 121.1744 64.2142 37.3138 178.2047 16 R 3.8884 7.9520 119.5727 59.7512 29.9563 178.7789 17 S 4.2375 7.9752 114.4162 61.7019 62.7792 176.6640 18 Q 3.9924 8.2774 121.2438 59.0493 28.2282 178.9903 19 T 3.8618 7.8427 110.7045 64.7339 68.7633 176.6938 20 L 3.9658 7.6015 120.5478 57.5919 41.7387 179.5515 21 T 3.8256 7.7091 115.5299 66.5869 68.3886 176.5288 22 L 3.9615 8.0820 122.3758 57.8698 41.9787 178.6698 23 L 3.9029 8.2605 120.8150 58.1591 41.9451 178.6696 24 E 3.8972 8.1193 119.1357 59.1849 29.6482 178.7681 25 K 3.9170 7.9267 118.1914 59.5792 32.1316 179.3260 26 L 4.0096 8.1651 119.2529 57.7283 41.5262 179.1439 27 N 4.3257 8.3576 116.6110 56.5566 38.2894 177.2585 28 E 4.0072 8.2332 118.8694 59.2757 29.6532 178.8278 29 L 4.1728 7.7029 116.4666 54.6789 42.0773 176.4416 30 D 4.3442 7.7192 117.5932 55.2690 39.4323 175.4345 31 A 4.4826 7.6530 120.7334 50.6656 16.3446 177.1103 32 D 4.3036 7.9110 124.7055 56.7367 41.4570 177.9144 33 E 3.9298 8.0867 119.1801 59.4555 29.6732 178.7454 34 Q 3.9824 8.0446 117.3759 58.7775 28.7683 178.2939 35 A 3.9774 8.4304 122.2393 55.3456 18.5606 179.4236 36 D 4.2994 8.1578 117.2599 57.5898 40.8615 179.0478 37 I 3.7163 7.5772 119.9028 64.6042 37.1143 178.0400 38 C 4.1448 8.3976 119.7414 62.2336 31.3309 175.1879 39 E 3.8940 8.5164 121.3869 59.4444 29.2230 178.8188 40 S 4.0993 7.9549 112.7030 61.2335 62.4268 175.7452 41 L 3.9896 8.3217 123.5725 58.3317 41.7217 178.3765 42 H 4.2515 8.7493 119.7834 58.8257 29.7814 176.7655 43 D 4.3298 8.0599 120.5872 57.8319 40.7027 178.4921 44 H 4.2164 8.6945 118.7313 59.2540 29.7840 177.2158 45 A 4.0424 8.6899 122.9723 54.9918 18.0496 179.1651 46 D 4.2798 8.4349 117.2683 57.2619 41.3607 177.8116 47 E 3.9058 8.3214 120.0056 59.4024 29.5820 178.6667 48 L 3.9295 7.9878 120.0803 58.1841 42.0648 178.1833 49 Y 4.0769 8.3137 119.6925 60.9967 38.7217 178.3461 50 R 3.6140 8.2785 119.0987 59.0797 30.2071 179.1348 51 S 3.9054 7.8785 112.7703 61.5605 62.3608 175.9153 52 C 3.3725 7.9155 119.4726 62.3992 27.7377 175.9855 53 L 3.7410 7.6777 121.7838 58.0707 41.4509 178.8049 54 A 3.8538 7.7092 119.5186 54.8379 18.2603 178.9441 55 R 4.0415 7.1700 115.4153 58.1599 30.6130 177.6454 56 F 5.0245 8.3726 115.2137 56.3594 39.5603 176.1334 57 G 4.3835 8.1488 113.6778 46.0400 0.0000 173.1768 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 G 8.34 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 0.00 0.00 0.00 2 T 8.53 3.93 4.19 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 1.24 0.00 0.00 3 K 9.36 3.78 0.00 1.78 1.89 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.53 7.81 4 Q 7.98 3.93 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 5 E 7.70 3.11 0.00 1.99 1.64 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 1.47 1.78 0.00 6 K 7.80 4.03 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.61 7.81 7 T 8.00 3.86 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 1.21 0.00 0.00 8 A 7.89 4.00 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 9 L 8.20 4.09 0.00 2.09 1.99 0.83 0.63 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 10 N 8.66 4.44 0.00 3.10 2.89 0.00 0.00 6.69 7.20 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 11 M 8.44 4.20 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 12 A 8.36 4.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.48 3.60 0.00 2.16 2.17 0.00 3.00 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 0.00 14 Y 8.45 4.33 0.00 3.04 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 15 I 8.18 3.44 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.86 0.00 0.00 16 R 7.95 3.89 0.00 1.97 1.99 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 17 S 7.98 4.24 0.00 4.18 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 18 Q 8.28 3.99 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.07 1.83 0.00 19 T 7.84 3.86 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 1.28 0.00 0.00 20 L 7.60 3.97 0.00 1.91 1.69 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.71 3.83 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 1.21 0.00 0.00 22 L 8.08 3.96 0.00 1.72 1.78 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.26 3.90 0.00 1.88 1.79 0.93 0.70 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 24 E 8.12 3.90 0.00 2.13 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 2.30 2.38 0.00 25 K 7.93 3.92 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 26 L 8.17 4.01 0.00 1.89 1.71 0.94 0.57 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 27 N 8.36 4.33 0.00 2.92 2.86 0.00 0.00 7.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.23 4.01 0.00 2.11 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 2.34 2.55 0.00 29 L 7.70 4.17 0.00 1.88 1.71 0.92 1.08 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 30 D 7.72 4.34 0.00 2.81 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 0.00 31 A 7.65 4.48 1.35 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 0.00 0.00 0.00 32 D 7.91 4.30 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.93 0.00 2.03 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 2.38 2.40 0.00 34 Q 8.04 3.98 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 35 A 8.43 3.98 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 36 D 8.16 4.30 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.72 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.92 0.00 0.00 38 C 8.40 4.14 0.00 3.10 3.06 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 39 E 8.52 3.89 0.00 2.23 2.02 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 2.32 2.32 0.00 40 S 7.95 4.10 0.00 3.97 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 41 L 8.32 3.99 0.00 1.88 1.84 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.75 4.25 0.00 3.17 3.48 0.00 5.70 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 43 D 8.06 4.33 0.00 3.06 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 44 H 8.69 4.22 0.00 3.33 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.69 4.04 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 46 D 8.43 4.28 0.00 2.70 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 47 E 8.32 3.91 0.00 2.09 2.17 0.00 0.00 0.00 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 2.33 0.00 48 L 7.99 3.93 0.00 1.82 1.82 0.93 0.69 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 49 Y 8.31 4.08 0.00 3.11 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 50 R 8.28 3.61 0.00 1.93 1.91 0.00 3.24 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 51 S 7.88 3.91 0.00 3.89 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 52 C 7.92 3.37 0.00 3.00 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 53 L 7.68 3.74 0.00 1.21 1.48 0.84 1.21 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 7.71 3.85 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 55 R 7.17 4.04 0.00 1.51 1.02 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 56 F 8.37 5.02 0.00 3.03 2.92 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 0.00 0.00 0.00 57 G 8.15 4.38 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 0.00