NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3486 0.0000 0.0000 62.1268 32.2495 175.1668 3 K 3.5469 8.7967 116.6778 56.9785 32.1546 174.8883 4 M 4.3478 9.3187 125.0385 55.2143 32.5907 175.2244 5 K 4.5900 8.1784 117.8407 54.7961 35.5091 177.4557 6 T 4.1435 8.7333 114.0408 63.2450 68.7391 171.0411 7 H 3.8522 7.7759 124.2322 55.7109 28.0473 174.6970 8 K 4.0719 8.1654 123.6857 58.7352 31.8463 178.3180 9 G 3.6777 7.9295 104.8540 47.6990 0.0000 175.1498 10 A 4.1849 8.1503 122.7407 54.7651 18.4744 179.4828 11 K 3.6181 8.1539 115.8267 58.6494 32.2359 177.5557 12 K 4.4944 7.6614 115.9898 56.6089 32.6221 176.5858 13 R 4.5857 9.0759 117.6122 55.4678 32.2530 174.8997 14 V 4.7810 7.4658 115.5461 61.1487 35.5332 173.8934 15 K 4.6541 8.6509 123.4583 54.7018 35.7408 174.6807 16 I 4.9268 8.2085 127.7876 60.0218 38.5186 175.9906 17 T 4.1112 9.2388 117.5742 60.7395 69.4530 174.8579 18 A 3.8731 8.4235 124.7299 55.9037 18.6779 179.0808 19 S 4.1715 8.2439 109.2023 61.7933 62.8145 174.3403 20 G 3.3490 7.3846 111.0977 44.3819 0.0000 173.6835 21 K 4.1489 7.9372 121.9299 56.4627 33.4452 176.3169 22 V 4.2737 8.1998 122.8096 62.1977 33.6304 174.8583 23 V 4.5305 8.6002 125.9643 61.2101 34.8081 174.0532 24 A 5.0559 7.8476 127.6617 50.2385 23.3041 174.4991 25 M 4.8713 8.5851 118.2342 55.2442 32.7847 177.2550 26 K 4.2846 8.4193 121.7281 56.6411 33.1216 176.5594 27 T 4.4936 8.3231 112.1205 60.1165 71.2558 173.8562 28 G 4.0416 8.9054 109.2857 45.3638 0.0000 174.4076 29 K 4.2805 8.2760 118.4114 57.4430 33.0065 179.5768 30 R 3.4925 6.4125 117.4989 58.0537 32.1729 175.8260 31 H 5.8423 8.4067 121.2785 58.4538 31.6629 173.9466 32 L 4.3900 6.6614 119.2935 54.6231 42.2843 179.6064 33 N 4.9554 9.0347 111.2806 51.5440 42.7585 173.6072 34 W 4.0630 8.9139 117.7498 57.4173 24.9593 176.0947 35 Q 3.6648 8.7275 117.1805 56.7025 28.5543 176.0671 36 K 4.0525 7.7251 117.5934 57.1675 32.2638 176.6723 37 S 4.4495 8.8881 119.2923 57.7382 64.6642 175.3590 38 G 3.9693 8.1595 113.1369 48.3726 0.0000 173.7393 39 K 4.0149 7.7567 123.8723 56.6755 32.6592 175.5746 40 E 3.6432 8.5979 127.5481 54.5551 26.1833 174.2087 41 I 5.0713 6.4939 130.5470 61.7762 39.3564 173.4101 42 R 4.5292 7.0948 117.8039 57.4310 31.9366 176.9910 43 Q 4.1485 8.2523 114.9907 57.7180 29.0942 176.7849 44 K 4.1973 8.0376 116.4757 57.2974 32.6000 178.1147 45 G 3.7125 7.6140 106.8748 46.3494 0.0000 174.0010 46 R 4.4856 7.3785 119.7259 55.1296 32.3138 173.6217 47 K 6.0800 8.0028 117.5684 57.2467 35.5230 174.5748 48 F 4.7267 8.6836 125.4605 56.7901 43.1590 175.6383 49 V 4.4833 8.4096 121.2270 63.4006 39.6603 172.9363 50 L 4.2760 8.9618 125.3321 55.6216 42.1338 172.5743 51 A 4.4053 9.0915 122.8716 51.6814 15.5692 179.4497 52 K 4.3726 7.6581 114.2447 56.6094 33.7828 175.7338 53 P 4.6048 0.0000 0.0000 61.1640 29.9339 174.7238 54 E 4.4491 7.9467 119.9538 56.6920 30.7344 178.2985 55 A 3.9251 8.0708 123.5916 55.7902 17.9264 179.5868 56 E 3.8202 8.2919 116.4111 60.1139 29.5388 179.4362 57 R 4.2661 8.0033 117.4224 59.9368 30.0108 178.8659 58 I 3.7865 7.5919 118.4446 63.9857 37.0601 177.8474 59 K 4.2952 9.0069 119.9661 58.0572 32.2551 178.2085 60 L 4.0887 8.3386 117.4226 55.1055 42.3314 179.0202 61 L 3.7338 8.8869 112.9235 54.7845 46.2982 180.2860 62 L 3.0697 8.3532 110.4541 53.7163 42.7718 175.9927 63 P 4.0966 0.0000 0.0000 69.4654 32.3534 177.1484 64 Y 4.2011 8.0569 115.1180 55.3083 40.6740 175.9922 65 E 4.3197 9.1909 128.1113 57.9361 29.7276 174.6629 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 4.35 0.00 2.19 2.11 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 3 K 8.80 3.55 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.52 7.81 4 M 9.32 4.35 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 5 K 8.18 4.59 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 6 T 8.73 4.14 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 1.24 0.00 0.00 7 H 7.78 3.85 0.00 3.54 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.17 4.07 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.44 7.81 9 G 7.93 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.15 4.18 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 11 K 8.15 3.62 0.00 1.77 1.99 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.55 7.81 12 K 7.66 4.49 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.67 7.81 13 R 9.08 4.59 0.00 1.58 1.91 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.88 0.00 14 V 7.47 4.78 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 0.75 0.00 0.00 0.89 0.00 0.00 15 K 8.65 4.65 0.00 1.84 1.54 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.40 7.81 16 I 8.21 4.93 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.96 0.00 0.00 17 T 9.24 4.11 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 1.26 0.00 0.00 18 A 8.42 3.87 1.30 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 0.00 0.00 19 S 8.24 4.17 0.00 3.97 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 7.38 3.35 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 0.00 21 K 7.94 4.15 0.00 1.72 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.38 7.81 22 V 8.20 4.27 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 0.85 0.00 0.00 0.89 0.00 0.00 23 V 8.60 4.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 24 A 7.85 5.06 1.02 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 0.00 0.00 0.00 0.00 0.00 25 M 8.59 4.87 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 26 K 8.42 4.28 0.00 1.77 1.65 0.00 1.38 0.00 0.00 0.99 0.00 0.00 2.43 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.55 7.81 27 T 8.32 4.49 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 28 G 8.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.28 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 30 R 6.41 3.49 0.00 1.82 1.93 0.00 3.43 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 31 H 8.41 5.84 0.00 3.23 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.66 4.39 0.00 1.82 1.50 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.03 4.96 0.00 2.76 2.84 0.00 0.00 7.01 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 34 W 8.91 4.06 0.00 3.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 3.66 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 36 K 7.73 4.05 0.00 1.83 1.77 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.58 7.81 37 S 8.89 4.45 0.00 3.93 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 38 G 8.16 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.76 4.01 0.00 1.71 1.73 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.35 7.81 40 E 8.60 3.64 0.00 2.09 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 2.13 2.30 0.00 41 I 6.49 5.07 1.97 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 1.32 1.00 0.98 0.00 0.00 42 R 7.09 4.53 0.00 2.12 1.84 0.00 3.14 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 43 Q 8.25 4.15 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 44 K 8.04 4.20 0.00 1.78 1.83 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.36 7.81 45 G 7.61 3.71 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 0.00 0.00 0.00 46 R 7.38 4.49 0.00 2.02 1.94 0.00 3.09 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 47 K 8.00 6.08 0.00 1.67 1.85 0.00 1.87 0.00 0.00 2.43 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.29 7.81 48 F 8.68 4.73 0.00 3.02 2.26 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 49 V 8.41 4.48 2.14 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 0.95 0.00 0.00 0.95 0.00 0.00 50 L 8.96 4.28 0.00 1.78 1.06 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.09 4.41 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 52 K 7.66 4.37 0.00 1.73 1.86 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.46 7.81 53 P 0.00 4.60 0.00 2.16 2.07 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 54 E 7.95 4.45 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 2.25 2.20 0.00 55 A 8.07 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.82 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 2.38 2.48 0.00 57 R 8.00 4.27 0.00 1.92 2.00 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 58 I 7.59 3.79 2.04 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 1.52 0.46 0.91 0.00 0.00 59 K 9.01 4.30 0.00 1.80 1.82 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 60 L 8.34 4.09 0.00 1.69 1.75 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.89 3.73 0.00 1.99 1.26 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.35 3.07 0.00 1.63 1.22 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.10 0.00 1.92 1.89 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 64 Y 8.06 4.20 0.00 2.96 2.36 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 65 E 9.19 4.32 0.00 2.09 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 0.00 2.36 2.53 0.00