NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4837 0.0000 0.0000 62.3879 33.7514 174.8619 2 I 4.7985 8.2278 121.5959 59.1863 40.0705 173.2018 3 A 4.8059 9.3399 129.9832 49.9600 22.3018 174.3022 4 Q 4.9652 8.6793 122.3745 54.2822 31.7470 174.4358 5 I 4.4693 9.0143 127.5412 59.8547 39.9686 174.1526 6 H 5.3072 8.8311 124.7654 54.3042 29.9133 174.5450 7 I 4.6270 8.4478 116.5237 58.5841 41.1743 174.9458 8 L 4.6159 8.3930 123.9567 54.5136 42.1703 176.9157 9 E 4.0608 8.7450 121.2999 57.1367 29.8156 175.9038 10 G 3.5431 8.8016 110.2743 45.7115 0.0000 174.6990 11 R 4.3491 7.6328 119.4530 55.3903 31.2241 176.8962 12 S 4.4478 8.5072 115.9211 58.0413 65.2698 175.2489 13 D 4.3547 8.5282 122.0110 57.3495 40.4267 178.7620 14 E 3.8991 8.0491 119.3046 59.4858 29.7354 178.6034 15 Q 4.0006 8.0743 118.0286 59.1302 28.7820 179.2822 16 K 3.9936 8.1029 119.3609 59.2913 32.0126 179.3768 17 E 3.9834 8.2453 119.1177 59.5955 29.3792 179.4791 18 T 3.8290 8.2547 116.1919 66.3927 68.4924 176.2567 19 L 3.9011 8.1427 122.5659 58.5181 42.1837 179.1491 20 I 3.6815 7.8221 119.4572 64.2345 36.9743 178.5326 21 R 3.8421 7.8851 119.4581 59.5293 30.0072 178.2863 22 E 3.9555 8.6802 118.6865 59.5220 29.4768 179.6735 23 V 3.5773 7.9736 118.1849 66.0650 31.5527 178.2305 24 S 4.1302 7.9372 114.4354 61.7087 62.5847 176.6101 25 E 3.9531 8.3101 121.0503 59.3027 29.2023 179.2463 26 A 3.9924 8.2320 120.9804 55.0888 18.4453 179.8801 27 I 3.6791 7.9253 118.4049 64.4724 37.2752 178.5157 28 S 4.0596 8.1690 114.0597 61.4435 62.3308 176.2368 29 R 3.9052 8.3096 121.6983 59.5589 29.6135 178.6431 30 S 4.2776 8.0292 114.0119 60.7052 62.9160 175.6595 31 L 4.5235 7.6146 117.9628 53.1784 42.6237 175.8336 32 D 4.3607 7.7207 116.1773 55.5740 38.8281 173.3372 33 A 4.7976 7.6670 119.7793 49.3250 21.8329 175.6554 34 P 4.3344 0.0000 0.0000 62.2653 32.2577 177.4037 35 L 3.9840 8.8383 125.1091 58.5105 41.9894 178.8748 36 T 4.0687 7.8521 106.6478 63.4328 68.8020 174.7523 37 S 4.3966 8.1565 116.4033 58.7215 63.7399 173.9243 38 V 4.2829 7.5011 122.6702 62.1721 32.2038 175.2231 39 R 4.7086 8.7812 126.7624 54.2937 33.2573 174.6894 40 V 4.8718 8.4843 123.0196 61.0589 34.4223 174.4399 41 I 4.5506 8.9640 128.1555 59.5680 40.1353 174.2872 42 I 4.7402 8.3931 127.5797 59.8836 39.2285 175.1352 43 T 4.5094 9.0096 123.5544 61.7464 71.1953 173.1588 44 E 4.9137 8.8259 126.2795 55.9461 31.0552 175.8268 45 M 4.8376 8.8518 122.7656 53.1543 35.0680 175.7350 46 A 4.5959 8.5760 125.8211 51.8016 19.2764 178.5764 47 K 3.9624 8.9601 120.3925 59.0677 32.2290 178.2019 48 G 4.0177 7.9706 105.4408 45.7114 0.0000 173.5175 49 H 4.9478 8.5142 115.3564 55.0061 29.7795 173.4627 50 F 5.1082 8.2476 122.6738 56.2676 41.4119 173.7858 51 G 4.1945 8.3621 116.2967 43.5834 0.0000 172.2856 52 I 4.1239 8.2095 122.4186 60.1469 40.0245 176.0411 53 G 3.6478 9.5157 113.3500 46.3505 0.0000 174.1636 54 G 3.9112 8.4534 106.3272 44.8640 0.0000 173.6881 55 E 4.7013 7.4877 118.8212 53.7037 32.4054 175.5560 56 L 4.3291 8.2750 121.4962 54.7400 42.5180 178.0950 57 A 3.9149 9.1519 127.5730 55.2712 18.5948 179.5756 58 S 4.2023 8.2697 109.3638 60.7919 62.6980 175.3523 59 K 4.6275 7.8060 119.0699 55.6391 32.8614 176.2087 60 V 3.9550 7.7459 125.0449 64.4132 31.6752 173.7445 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.23 4.80 1.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.34 4.81 1.19 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 0.00 0.00 4 Q 8.68 4.97 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 5 I 9.01 4.47 1.83 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 1.21 0.59 0.88 0.00 0.00 6 H 8.83 5.31 0.00 2.90 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.45 4.63 1.82 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 1.17 1.26 0.86 0.00 0.00 8 L 8.39 4.62 0.00 1.53 1.64 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.75 4.06 0.00 1.95 1.95 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 2.31 2.27 0.00 10 G 8.80 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.35 0.00 1.78 1.86 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 12 S 8.51 4.45 0.00 4.08 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 13 D 8.53 4.35 0.00 2.78 2.75 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 14 E 8.05 3.90 0.00 2.03 1.93 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 2.37 2.40 0.00 15 Q 8.07 4.00 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.10 3.99 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.25 3.98 0.00 2.27 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 0.00 2.32 2.34 0.00 18 T 8.25 3.83 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 1.21 0.00 0.00 19 L 8.14 3.90 0.00 1.81 1.87 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.82 3.68 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.90 0.00 0.00 21 R 7.89 3.84 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.68 3.96 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 23 V 7.97 3.58 2.19 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 1.02 0.00 0.00 0.96 0.00 0.00 24 S 7.94 4.13 0.00 4.11 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 25 E 8.31 3.95 0.00 2.18 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 2.33 2.32 0.00 26 A 8.23 3.99 1.38 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 27 I 7.93 3.68 2.00 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 1.40 1.11 0.91 0.00 0.00 28 S 8.17 4.06 0.00 3.88 3.94 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 0.00 0.00 0.00 29 R 8.31 3.91 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.03 4.28 0.00 4.15 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 31 L 7.61 4.52 0.00 1.62 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.72 4.36 0.00 2.87 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 A 7.67 4.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 35 L 8.84 3.98 0.00 1.71 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.85 4.07 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 37 S 8.16 4.40 0.00 3.95 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 38 V 7.50 4.28 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 0.76 0.00 0.00 0.93 0.00 0.00 39 R 8.78 4.71 0.00 1.77 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.48 4.87 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.96 4.55 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.87 0.00 0.00 42 I 8.39 4.74 1.84 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 1.31 0.53 0.87 0.00 0.00 43 T 9.01 4.51 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 1.20 0.00 0.00 44 E 8.83 4.91 0.00 1.83 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 0.00 2.26 2.31 0.00 45 M 8.85 4.84 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 46 A 8.58 4.60 1.09 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 47 K 8.96 3.96 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 48 G 7.97 4.02 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 0.00 49 H 8.51 4.95 0.00 3.29 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.25 5.11 0.00 2.99 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 51 G 8.36 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 0.00 0.00 0.00 0.00 52 I 8.21 4.12 1.68 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 0.80 0.43 0.82 0.00 0.00 53 G 9.52 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.45 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 0.00 0.00 0.00 55 E 7.49 4.70 0.00 2.10 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 2.18 2.35 0.00 56 L 8.28 4.33 0.00 1.69 1.60 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.15 3.91 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 58 S 8.27 4.20 0.00 4.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.63 0.00 1.86 1.90 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.32 7.81 60 V 7.75 3.95 2.19 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 0.68 0.00 0.00 0.90 0.00 0.00