NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1482 8.1200 121.1856 56.3695 34.0864 177.2215 3 L 3.7951 7.8493 120.0239 57.6979 41.5934 177.7209 4 S 4.2174 8.7654 113.3773 60.8091 63.1030 175.2228 5 E 4.0752 8.5036 122.0403 59.4828 29.3894 178.9731 6 V 4.4824 7.8162 119.0234 65.9282 31.4698 178.0780 7 R 3.9374 7.7257 116.3541 59.2538 29.8290 179.2034 8 K 4.0945 8.7688 118.6737 59.1528 31.9096 179.6089 9 Q 3.9758 7.8985 118.2407 58.7022 28.6716 177.9995 10 L 3.9482 7.8456 120.0003 57.9819 41.5085 179.3687 11 E 4.1949 7.7578 116.3606 59.5415 29.6832 178.9921 12 E 4.0634 8.3355 116.5299 57.7533 29.7830 177.3046 13 A 4.5289 7.5249 119.4250 54.5570 20.2221 178.7366 14 R 4.0625 8.5607 114.7151 57.3233 31.1150 176.8705 15 K 4.7431 8.3182 117.9839 56.5602 32.5195 176.5983 16 L 4.5434 7.8593 116.8722 54.2602 44.7550 175.5668 17 S 4.3343 8.1285 117.7341 57.7986 63.5944 167.5960 18 P 4.1714 0.0000 0.0000 66.5279 30.4390 178.3321 19 V 3.5325 7.8856 116.7659 65.7489 31.1744 177.1322 20 E 4.0314 8.4224 118.7345 58.9150 29.5889 178.4371 21 L 3.9376 7.9055 118.3274 58.3358 41.8642 179.4702 22 E 4.0797 8.0372 118.1871 59.3341 29.3160 179.6544 23 K 4.0222 9.1690 119.6742 59.1878 32.1735 179.1192 24 L 4.2038 7.7233 120.1997 57.7549 42.1196 178.9753 25 V 3.5878 8.4479 118.8061 65.8574 31.4776 178.1418 26 R 3.9052 7.8699 117.6453 59.4099 29.6456 178.8189 27 E 3.9525 8.1485 118.1487 59.5423 29.3860 179.7230 28 K 4.0538 8.6297 118.3208 58.7766 31.9095 179.2334 29 K 4.1328 7.9910 118.7910 58.5280 32.0636 178.9933 30 R 3.9133 7.9434 119.0197 58.8868 29.8281 178.3244 31 E 4.0010 7.8830 118.5305 59.0686 29.4760 178.7143 32 L 3.9368 7.7510 120.2486 58.1023 42.0713 178.7178 33 M 4.1175 7.8467 118.6769 58.1440 32.1455 177.6962 34 E 3.8488 7.7774 119.5995 59.4772 29.8176 178.6771 35 L 4.0376 8.1894 119.0981 57.9802 41.5267 180.1007 36 R 3.9598 7.7723 117.9180 59.4400 29.7148 178.9607 37 F 4.1128 8.6988 116.5849 59.6124 38.5976 177.5702 38 Q 4.1080 7.8910 117.7610 58.6636 29.0104 177.4969 39 A 4.1225 8.3504 121.8644 55.2016 18.1878 179.2002 40 S 4.0199 8.4265 111.4650 61.4278 63.1312 176.8058 41 I 4.0992 7.5293 113.7199 62.1308 36.8278 179.5238 42 G 3.5005 8.4161 109.3036 47.4526 0.0000 175.5196 43 Q 4.4679 9.0950 120.2570 55.0001 27.1039 173.8452 44 L 4.5009 7.5773 117.3493 54.2603 44.3525 173.0866 45 S 4.5259 7.5952 109.6304 57.2366 65.7389 174.3730 46 Q 4.3504 8.0654 121.7983 54.8731 32.0340 178.2803 47 N 3.3802 9.0597 116.8978 52.2648 40.1280 177.5055 48 H 4.1851 9.0068 125.8647 58.8285 29.8292 176.4369 49 K 3.7290 7.8749 121.4405 59.8994 31.7648 178.6829 50 I 3.7902 8.4349 120.7432 63.9779 36.5432 178.3902 51 R 3.6983 7.9128 116.8721 58.9067 28.9567 178.0386 52 D 4.3134 7.7676 118.7259 57.0413 41.6555 177.3040 53 L 4.0458 8.1022 120.8560 58.1656 41.9814 178.3963 54 K 3.7823 8.7997 119.8863 60.3566 32.0449 178.6729 55 R 4.0553 7.8941 116.6171 58.7495 29.9454 178.9002 56 Q 3.9598 8.2567 119.0074 59.0299 28.7038 178.3851 57 I 3.6863 7.8705 119.7724 64.6244 37.1615 178.0094 58 A 3.9864 7.7222 120.9541 55.2794 18.2077 179.9740 59 R 3.8059 8.3506 116.7162 59.3976 30.1641 178.9039 60 L 3.9245 8.3534 119.1746 58.2493 41.7124 179.9498 61 L 4.0114 8.1228 118.4335 58.1222 41.4002 179.6696 62 T 4.1170 7.7659 114.5225 66.1058 68.6681 176.4784 63 V 4.1159 7.5907 121.6493 64.9727 31.9558 177.6414 64 L 3.9737 8.1949 120.3932 58.3973 41.6746 178.7430 65 N 4.5322 8.8404 116.9876 55.8381 38.3929 176.9743 66 E 4.0291 8.0627 117.9732 58.2716 29.5104 179.2525 67 K 4.0909 7.5520 119.7449 59.1507 32.2532 179.2600 68 R 4.0932 7.1134 112.0429 57.5175 29.9602 177.1084 69 R 4.6962 8.3212 117.7231 55.5702 30.5396 175.9360 70 Q 4.5408 7.7952 117.7605 56.7619 32.4267 174.0002 71 N 4.7275 8.3042 114.2612 52.9484 39.1284 174.6731 72 A 4.1451 7.5748 126.9097 52.7083 19.0576 176.3578 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 K 8.12 5.15 0.00 1.86 1.82 0.00 1.66 0.00 0.00 2.07 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 7.85 3.80 0.00 1.83 1.68 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.77 4.22 0.00 3.90 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 5 E 8.50 4.08 0.00 2.12 1.97 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 2.33 2.38 0.00 6 V 7.82 4.48 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 1.21 0.00 0.00 0.98 0.00 0.00 7 R 7.73 3.94 0.00 1.93 1.96 0.00 3.18 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 1.65 1.83 0.00 8 K 8.77 4.09 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 Q 7.90 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 10 L 7.85 3.95 0.00 1.88 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.76 4.19 0.00 1.97 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 2.35 2.47 0.00 12 E 8.34 4.06 0.00 2.05 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 2.32 2.33 0.00 13 A 7.52 4.53 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 4.06 0.00 1.68 2.01 0.00 3.27 0.00 0.00 3.42 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 15 K 8.32 4.74 0.00 1.77 1.78 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.38 7.81 16 L 7.86 4.54 0.00 1.66 1.71 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.13 4.33 0.00 4.18 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 18 P 0.00 4.17 0.00 2.27 2.38 0.00 3.73 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 2.08 2.06 0.00 19 V 7.89 3.53 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 20 E 8.42 4.03 0.00 2.17 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 2.30 2.39 0.00 21 L 7.91 3.94 0.00 1.72 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.04 4.08 0.00 1.95 2.00 0.00 0.00 0.00 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 2.57 0.00 23 K 9.17 4.02 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 24 L 7.72 4.20 0.00 1.75 1.78 0.92 0.89 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 25 V 8.45 3.59 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 0.97 0.00 0.00 0.95 0.00 0.00 26 R 7.87 3.91 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 27 E 8.15 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 2.32 2.56 0.00 28 K 8.63 4.05 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.62 7.81 29 K 7.99 4.13 0.00 2.00 1.84 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.62 7.81 30 R 7.94 3.91 0.00 1.86 2.03 0.00 3.05 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 31 E 7.88 4.00 0.00 2.21 1.96 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 2.31 2.40 0.00 32 L 7.75 3.94 0.00 1.82 1.67 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.85 4.12 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 34 E 7.78 3.85 0.00 2.28 1.96 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 2.28 2.38 0.00 35 L 8.19 4.04 0.00 1.96 1.75 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.77 3.96 0.00 2.19 2.10 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 37 F 8.70 4.11 0.00 3.02 3.17 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 0.00 0.00 0.00 38 Q 7.89 4.11 0.00 2.28 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 39 A 8.35 4.12 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 40 S 8.43 4.02 0.00 3.68 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 41 I 7.53 4.10 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.74 0.90 0.00 0.00 42 G 8.42 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.09 4.47 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.42 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 44 L 7.58 4.50 0.00 1.77 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.60 4.53 0.00 3.65 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 46 Q 8.07 4.35 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.01 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 47 N 9.06 3.38 0.00 2.84 2.74 0.00 0.00 6.79 8.16 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 48 H 9.01 4.19 0.00 3.37 3.51 0.00 5.47 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 49 K 7.87 3.73 0.00 1.87 1.86 0.00 1.61 0.00 0.00 1.48 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.62 7.81 50 I 8.43 3.79 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.92 0.00 0.00 51 R 7.91 3.70 0.00 2.04 2.21 0.00 2.97 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 52 D 7.77 4.31 0.00 2.99 2.68 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 53 L 8.10 4.05 0.00 1.91 1.65 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.80 3.78 0.00 2.06 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 55 R 7.89 4.06 0.00 2.04 1.97 0.00 3.46 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 Q 8.26 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 57 I 7.87 3.69 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 1.92 0.84 0.91 0.00 0.00 58 A 7.72 3.99 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 59 R 8.35 3.81 0.00 1.99 1.98 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 60 L 8.35 3.92 0.00 1.87 1.75 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.12 4.01 0.00 1.74 1.71 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.77 4.12 4.42 0.00 0.00 0.00 0.00 0.00 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 63 V 7.59 4.12 2.34 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 1.25 0.00 0.00 1.00 0.00 0.00 64 L 8.19 3.97 0.00 1.82 1.80 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.84 4.53 0.00 3.01 2.84 0.00 0.00 6.68 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 66 E 8.06 4.03 0.00 2.23 2.30 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 2.47 2.30 0.00 67 K 7.55 4.09 0.00 2.07 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.61 7.81 68 R 7.11 4.09 0.00 1.86 1.98 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 69 R 8.32 4.70 0.00 1.67 1.90 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 70 Q 7.80 4.54 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 71 N 8.30 4.73 0.00 2.73 2.88 0.00 0.00 6.67 7.35 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 72 A 7.57 4.15 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