NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1867 8.2549 119.7094 54.9505 30.6617 174.9331 2 K 3.7289 9.0832 124.6630 56.2726 31.1027 173.4944 3 R 4.4467 7.4914 122.8706 55.1607 33.9204 174.9499 4 Q 4.2587 8.6225 123.3826 56.4206 29.5182 174.6405 5 A 4.5712 7.9012 119.9117 51.1529 21.8656 176.0307 6 W 4.6708 8.6469 120.4150 56.1991 30.3129 176.6106 7 L 4.6975 7.6905 118.0418 54.1137 42.7374 177.6118 8 W 4.3492 8.8510 117.0749 60.0103 27.8190 177.9217 9 E 3.1320 6.2236 119.8423 58.2374 28.9640 178.0935 10 E 3.4731 7.6490 118.7865 59.1149 29.6303 178.0713 11 D 4.5938 8.3293 117.9773 57.4055 41.3354 177.9466 12 K 3.8828 8.2980 120.3380 59.6111 32.0464 178.2536 13 N 3.3564 8.2689 116.8859 56.0232 38.3773 176.7970 14 L 4.1025 7.9696 121.4331 58.2885 42.2702 178.6942 15 R 3.6680 8.2950 118.4792 59.7609 30.3856 178.5304 16 S 4.1731 8.3983 113.1950 61.2360 62.2070 176.1447 17 G 3.7688 8.0889 108.8679 47.5396 0.0000 175.6930 18 V 3.5289 8.1307 121.9459 65.4381 31.2147 178.4694 19 R 3.9868 7.3155 114.1493 58.5307 29.1754 178.0069 20 K 4.2417 7.0654 115.7425 58.0783 33.5982 178.0610 21 Y 4.5110 8.1179 117.6573 58.8755 38.5644 175.4003 22 G 4.3102 6.4671 111.2526 44.8391 0.0000 172.5280 23 E 4.3091 8.1616 122.4539 54.1051 29.0352 177.3360 24 G 4.4171 5.8320 112.0590 45.6679 0.0000 172.3310 25 N 4.6095 5.7700 113.6294 50.4928 39.4520 175.4666 26 W 4.4536 7.0329 120.2421 59.7778 29.4687 178.2900 27 S 4.1079 8.0327 114.9734 61.5707 62.3812 176.4494 28 K 3.7386 7.8273 121.6496 59.2584 31.9156 178.5604 29 I 3.8751 7.4766 119.9575 64.6124 36.9310 178.1856 30 L 4.1660 7.9854 119.6868 57.8548 41.8883 178.5304 31 L 4.0425 7.5282 119.6977 58.9372 42.1559 178.2807 32 H 4.3317 7.8784 115.0003 57.6503 29.1997 175.1561 33 Y 4.3480 7.8444 120.1691 57.3720 38.7729 175.9298 34 K 4.4755 8.2282 122.4977 56.2438 34.1247 175.5211 35 F 4.5389 8.0879 117.6046 55.9205 43.1753 174.6965 36 N 4.3398 9.2521 120.4331 56.0461 39.3254 175.8601 37 N 4.9062 7.3662 113.4218 52.5060 39.3296 173.2510 38 R 4.5994 7.4085 117.6308 55.3021 32.7935 175.7839 39 T 4.5643 7.6286 113.9312 64.0873 72.9729 174.1532 40 S 4.7088 7.6093 116.3051 58.7303 70.0800 177.7367 41 V 3.4111 7.7744 119.2487 66.1901 31.1478 177.7255 42 M 4.0269 7.8573 117.7577 58.3679 31.9054 178.4889 43 L 3.9675 7.5977 118.4192 57.5921 41.8496 179.1567 44 K 2.6163 6.8782 119.4274 59.3299 31.9298 177.7034 45 D 4.2104 8.0848 118.3234 57.7653 40.9797 178.4267 46 R 3.6245 8.0417 118.1290 58.8798 29.9553 178.9344 47 W 4.4574 8.1687 127.9329 60.7449 30.7649 178.2099 48 R 3.6713 8.0296 117.8966 59.4288 29.2394 179.1276 49 T 3.7334 7.7366 114.6621 66.7987 68.7397 175.9555 50 M 4.0339 8.0828 120.2166 58.4226 32.0241 178.2170 51 K 3.4766 7.4324 117.9332 59.2010 32.3643 178.9733 52 K 3.9725 7.7497 115.6815 56.8751 32.8843 176.6094 53 L 3.9066 7.4190 127.2052 55.6667 43.5843 173.5928 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 R 8.25 4.19 0.00 1.83 1.37 0.00 3.33 0.00 0.00 3.23 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 2 K 9.08 3.73 0.00 2.00 1.77 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 R 7.49 4.45 0.00 1.72 1.77 0.00 3.23 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 4 Q 8.62 4.26 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 5 A 7.90 4.57 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.65 4.67 0.00 3.28 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 7 L 7.69 4.70 0.00 1.94 1.81 0.56 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 W 8.85 4.35 0.00 3.68 3.41 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 9 E 6.22 3.13 0.00 1.16 1.18 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 0.00 1.85 1.52 0.00 10 E 7.65 3.47 0.00 1.79 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 2.04 1.94 0.00 11 D 8.33 4.59 0.00 3.05 2.94 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 12 K 8.30 3.88 0.00 1.98 1.92 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.74 7.81 13 N 8.27 3.36 0.00 2.35 2.14 0.00 0.00 6.10 6.77 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 14 L 7.97 4.10 0.00 2.29 2.06 1.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.29 3.67 0.00 2.09 1.98 0.00 3.36 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 16 S 8.40 4.17 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.09 3.77 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 0.00 0.00 0.00 18 V 8.13 3.53 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.99 0.00 0.00 19 R 7.32 3.99 0.00 2.06 2.14 0.00 3.11 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 20 K 7.07 4.24 0.00 1.75 1.80 0.00 1.16 0.00 0.00 1.49 0.00 0.00 2.35 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 0.48 7.81 21 Y 8.12 4.51 0.00 3.04 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 22 G 6.47 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 0.00 0.00 0.00 0.00 23 E 8.16 4.31 0.00 2.14 2.38 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 2.65 2.49 0.00 24 G 5.83 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 0.00 0.00 0.00 0.00 25 N 5.77 4.61 0.00 2.45 2.41 0.00 0.00 6.89 7.82 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 26 W 7.03 4.45 0.00 3.39 3.09 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 27 S 8.03 4.11 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.83 3.74 0.00 1.63 1.67 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.84 1.19 7.81 29 I 7.48 3.88 2.20 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 1.21 0.00 0.00 30 L 7.99 4.17 0.00 1.65 1.81 0.81 1.30 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 31 L 7.53 4.04 0.00 1.75 1.42 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.88 4.33 0.00 3.07 2.94 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.84 4.35 0.00 3.35 2.58 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 0.00 0.00 0.00 0.00 34 K 8.23 4.48 0.00 1.81 1.76 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.26 7.81 35 F 8.09 4.54 0.00 2.83 2.83 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 36 N 9.25 4.34 0.00 2.45 2.70 0.00 0.00 6.84 7.78 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 37 N 7.37 4.91 0.00 2.59 2.61 0.00 0.00 6.84 7.64 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 38 R 7.41 4.60 0.00 1.38 1.36 0.00 2.90 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.65 0.00 39 T 7.63 4.56 4.20 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 1.20 0.00 0.00 40 S 7.61 4.71 0.00 3.86 3.92 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 41 V 7.77 3.41 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 1.02 0.00 0.00 0.91 0.00 0.00 42 M 7.86 4.03 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 43 L 7.60 3.97 0.00 1.34 1.51 0.70 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 K 6.88 2.62 0.00 0.79 1.51 0.00 1.92 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.54 7.81 45 D 8.08 4.21 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.62 0.00 1.43 1.26 0.00 2.74 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.00 47 W 8.17 4.46 0.00 3.42 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.67 0.00 1.99 1.89 0.00 3.26 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 1.66 1.91 0.00 49 T 7.74 3.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 50 M 8.08 4.03 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 51 K 7.43 3.48 0.00 1.50 1.51 0.00 1.37 0.00 0.00 1.20 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.36 7.81 52 K 7.75 3.97 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.48 7.81 53 L 7.42 3.91 0.00 1.73 1.61 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00