NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9264 8.3393 109.7351 45.7408 0.0000 172.8458 4 T 4.5572 7.9659 112.0782 59.1810 72.0457 171.8489 5 N 4.3470 8.7695 117.3862 55.7133 39.6301 176.3259 6 V 3.6071 7.3744 117.8977 64.4990 31.0816 175.9787 7 G 3.8895 8.9010 115.8807 45.2346 0.0000 172.1779 8 R 4.0972 7.6316 120.6717 55.4870 30.6129 175.0286 9 E 4.6459 8.6597 126.0161 54.7095 31.1848 175.4750 10 C 5.0626 8.4625 122.2272 55.1953 43.8360 174.2493 11 C 4.6507 8.6447 120.7260 56.1981 40.2505 173.8488 12 L 4.0803 8.5629 126.0105 56.9478 41.7146 177.1777 13 E 4.4955 7.4877 113.0781 54.6041 32.5216 173.9213 14 Y 4.8928 8.0600 117.9007 57.3426 39.1473 175.2429 15 F 4.3397 9.4557 126.8117 58.4260 40.2636 174.5428 16 K 4.3832 9.0593 124.7791 55.0413 34.4963 176.0767 17 G 3.8344 8.1386 113.9720 44.4735 0.0000 170.6427 18 A 4.3002 8.0057 122.7474 51.3511 19.3037 177.3627 19 I 3.9128 8.1647 123.5748 59.8243 37.5317 174.9242 20 P 4.4443 0.0000 0.0000 61.4572 30.3468 176.4234 21 L 3.8044 8.2057 129.0156 58.2992 42.3458 179.4617 22 R 4.0072 7.7666 113.6287 58.6319 29.6716 177.5186 23 K 4.1902 8.1205 117.3913 57.4400 32.5282 176.7471 24 L 4.3704 7.6652 120.0922 54.8238 41.9880 176.1788 25 K 4.4098 8.9244 125.2641 58.4569 33.7847 175.3770 26 T 4.9104 7.6527 112.0732 61.7632 70.7033 171.4707 27 W 5.7714 8.4056 117.5735 55.9812 30.9688 173.0107 28 Y 4.3308 8.5264 118.1287 55.8797 41.5440 172.9480 29 Q 5.0752 8.4621 121.3051 54.4019 30.6553 175.3100 30 T 4.4014 8.3796 116.9312 61.1682 70.1357 174.1205 31 S 4.2254 8.7740 116.7085 58.4306 62.7813 175.1049 32 E 4.1354 8.7286 124.3620 59.0315 29.5201 177.7143 33 D 4.5183 7.8570 118.2878 56.0735 41.2062 176.2418 34 C 4.4443 7.8179 116.8932 56.7874 40.8722 173.8564 35 S 4.1682 8.7880 117.5210 61.1090 62.1894 174.7161 36 R 4.5154 7.5585 117.5469 54.2249 31.3114 175.6095 37 D 4.4929 8.6565 122.0559 54.3035 42.1003 175.0249 38 A 5.0903 8.3469 126.2713 50.7315 23.4767 174.5275 39 I 4.6251 8.5241 121.0875 59.6218 39.7588 174.9021 40 V 4.5405 7.9565 127.1038 61.2435 33.2660 174.4516 41 F 5.3540 8.8653 126.9868 56.3582 41.2007 174.8375 42 V 4.9922 8.7561 122.7304 61.4864 34.0747 175.6175 43 T 4.8970 8.8060 118.7551 60.5009 70.6197 176.0316 44 V 3.6403 8.4744 121.4874 66.0769 31.4740 177.0094 45 Q 4.1079 7.9736 116.3781 56.9117 28.9185 176.5300 46 G 3.9458 7.9821 105.9420 45.4660 0.0000 173.7267 47 R 4.4993 8.1203 117.9338 55.1426 31.8891 175.3366 48 A 5.2818 8.4895 122.4248 50.2710 21.9506 175.6780 49 I 4.4658 8.8960 122.6880 59.5135 40.6937 174.2464 50 C 5.0001 8.9455 125.3859 56.9113 42.6491 173.0864 51 S 5.1116 9.4420 119.2907 56.5601 67.7621 172.9331 52 D 4.0208 7.9546 121.4186 52.7816 41.0534 175.5411 53 P 4.3345 0.0000 0.0000 64.6618 31.5210 176.8235 54 N 4.6015 8.4068 114.7483 53.4040 39.1535 175.2716 55 N 4.4805 7.9144 118.8888 52.9457 40.4198 175.5384 56 K 3.9035 8.6777 127.1938 59.7981 32.2202 179.6026 57 R 3.9464 8.0374 117.8645 58.9219 30.0264 179.1102 58 V 3.6759 8.0106 118.1705 65.9936 31.6197 178.0917 59 K 3.8225 8.2862 118.6017 59.6400 31.8885 178.7809 60 N 4.2975 8.2975 116.9283 56.5663 38.8441 176.8700 61 A 4.0253 8.0428 122.3693 54.8868 18.3541 179.8250 62 V 3.0729 7.8061 116.8217 66.0198 31.5450 178.2559 63 K 3.9921 7.9262 118.1967 59.6545 31.6208 178.5124 64 Y 4.1523 7.8825 118.6775 60.8922 39.0420 178.0473 65 L 3.7745 7.8169 119.7525 57.7938 41.5166 179.5443 66 Q 4.1945 8.3327 117.7975 58.8497 28.7148 178.6715 67 S 4.2852 7.7745 114.1689 60.5790 63.1419 174.7939 68 L 4.2286 7.4133 126.7120 55.0028 41.5143 176.4386 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 3 G 8.34 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 4 T 7.97 4.56 4.24 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 1.21 0.00 0.00 5 N 8.77 4.35 0.00 2.77 2.91 0.00 0.00 6.49 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 6 V 7.37 3.61 2.07 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 0.72 0.00 0.00 0.93 0.00 0.00 7 G 8.90 3.89 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 0.00 0.00 0.00 8 R 7.63 4.10 0.00 2.02 1.94 0.00 3.25 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 E 8.66 4.65 0.00 1.97 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 2.35 2.45 0.00 10 C 8.46 5.06 0.00 2.95 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 11 C 8.64 4.65 0.00 2.94 2.99 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 12 L 8.56 4.08 0.00 1.61 1.68 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.49 4.50 0.00 1.96 1.80 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 2.17 2.35 0.00 14 Y 8.06 4.89 0.00 2.95 2.86 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 15 F 9.46 4.34 0.00 3.05 3.14 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 16 K 9.06 4.38 0.00 1.49 1.58 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.61 7.81 17 G 8.14 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 18 A 8.01 4.30 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 19 I 8.16 3.91 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.45 0.00 0.00 20 P 0.00 4.44 0.00 2.16 2.18 0.00 3.52 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 21 L 8.21 3.80 0.00 1.54 1.45 0.74 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.77 4.01 0.00 1.95 2.00 0.00 3.07 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 23 K 8.12 4.19 0.00 1.97 1.87 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 24 L 7.67 4.37 0.00 1.82 1.73 0.56 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.92 4.41 0.00 1.80 2.00 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.40 7.81 26 T 7.65 4.91 4.30 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 1.29 0.00 0.00 27 W 8.41 5.77 0.00 3.13 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 28 Y 8.53 4.33 0.00 2.90 2.81 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 0.00 0.00 0.00 29 Q 8.46 5.08 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 30 T 8.38 4.40 4.32 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 1.28 0.00 0.00 31 S 8.77 4.23 0.00 3.90 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 32 E 8.73 4.14 0.00 2.14 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 0.00 2.29 2.35 0.00 33 D 7.86 4.52 0.00 2.74 2.77 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 0.00 0.00 0.00 0.00 34 C 7.82 4.44 0.00 3.19 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 35 S 8.79 4.17 0.00 3.81 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 36 R 7.56 4.52 0.00 1.83 1.77 0.00 2.98 0.00 0.00 2.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 37 D 8.66 4.49 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 5.09 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 39 I 8.52 4.63 1.55 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 1.01 0.65 0.17 0.00 0.00 40 V 7.96 4.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.70 0.00 0.00 41 F 8.87 5.35 0.00 3.09 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 42 V 8.76 4.99 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 1.13 0.00 0.00 1.09 0.00 0.00 43 T 8.81 4.90 4.30 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 1.19 0.00 0.00 44 V 8.47 3.64 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 0.80 0.00 0.00 0.99 0.00 0.00 45 Q 7.97 4.11 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 G 7.98 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 47 R 8.12 4.50 0.00 1.77 1.83 0.00 3.06 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 48 A 8.49 5.28 1.25 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 0.00 0.00 0.00 49 I 8.90 4.47 1.98 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.57 0.79 0.00 0.00 50 C 8.95 5.00 0.00 3.10 3.19 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 0.00 51 S 9.44 5.11 0.00 3.81 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 52 D 7.95 4.02 0.00 1.58 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 0.00 0.00 0.00 53 P 0.00 4.33 0.00 2.06 2.05 0.00 3.68 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 2.19 2.09 0.00 54 N 8.41 4.60 0.00 2.76 2.82 0.00 0.00 6.92 7.81 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 55 N 7.91 4.48 0.00 2.68 2.74 0.00 0.00 7.11 6.86 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 56 K 8.68 3.90 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 57 R 8.04 3.95 0.00 2.03 1.93 0.00 3.11 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 58 V 8.01 3.68 2.32 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 1.13 0.00 0.00 1.05 0.00 0.00 59 K 8.29 3.82 0.00 2.02 1.81 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.63 7.81 60 N 8.30 4.30 0.00 2.89 2.94 0.00 0.00 7.12 7.05 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 61 A 8.04 4.03 1.10 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 0.00 0.00 62 V 7.81 3.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.33 0.00 0.00 63 K 7.93 3.99 0.00 2.02 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.62 7.81 64 Y 7.88 4.15 0.00 2.88 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 65 L 7.82 3.77 0.00 1.96 1.89 1.27 0.86 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 66 Q 8.33 4.19 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 67 S 7.77 4.29 0.00 4.06 4.12 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 68 L 7.41 4.23 0.00 1.63 1.55 0.60 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00