NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2958 8.3301 115.2896 58.3069 63.4278 172.3256 2 A 4.5500 7.4425 123.2008 49.2142 21.8497 175.3096 3 K 3.7980 9.3240 119.3914 56.7192 33.4489 175.3346 4 E 3.8434 8.8567 121.1448 56.7763 29.8349 177.1936 5 L 3.9989 8.5176 122.9756 55.1678 42.5476 178.2038 6 R 4.3845 8.0669 119.2163 55.4902 32.6496 176.3517 7 C 4.1546 8.8466 116.5142 59.5900 38.9257 174.4767 8 Q 4.2038 7.9717 123.4476 56.6819 30.3852 175.0134 9 C 4.8890 7.5297 113.4219 55.0702 44.8120 173.9429 10 I 4.3799 8.4885 117.9207 59.5496 39.1167 175.3173 11 K 5.2099 7.7035 119.8314 54.1801 35.0445 174.9114 12 T 4.6428 8.2357 109.1845 61.8770 69.2412 172.4558 13 Y 4.8964 8.8591 117.8749 59.8001 37.6337 175.9121 14 S 4.2720 5.8100 116.8190 57.7759 67.6295 175.9881 15 K 4.5726 5.6600 116.7466 53.6801 35.9679 173.6431 16 P 4.9789 0.0000 0.0000 62.3261 32.5736 174.9716 17 F 4.5402 7.5350 113.3807 56.8094 39.5582 172.7196 18 H 4.1905 8.3951 118.2431 54.7235 28.4760 174.7800 19 P 4.4967 0.0000 0.0000 64.1476 31.6759 178.6373 20 K 4.0375 8.2000 119.1098 59.7385 32.2251 177.6884 21 F 4.6980 8.3946 111.8655 56.8359 37.7325 174.6577 22 I 3.8759 7.5059 115.4370 61.0045 38.0270 175.7703 23 K 4.0549 8.2926 127.2086 58.4290 33.0564 176.6584 24 E 4.5084 7.8928 119.2980 54.3742 32.9936 175.0408 25 L 4.7261 8.6724 128.0565 53.9319 42.4408 175.2911 26 R 4.6460 8.4343 127.3036 54.7530 32.6078 175.2477 27 V 4.6320 8.1045 123.8499 61.0788 34.2848 176.0019 28 I 4.0478 8.4240 123.2564 59.6528 36.0151 175.5764 29 E 4.5182 7.6913 135.0000 56.2055 27.8430 173.7142 30 S 4.4533 7.7929 115.8955 57.3117 64.7186 176.3024 31 G 3.9537 8.7434 108.5823 44.6922 0.0000 171.4205 32 P 4.5525 0.0000 0.0000 61.5990 32.0560 173.0984 33 H 4.6939 7.4002 123.5426 54.3968 36.0400 173.6170 34 C 5.0880 8.5131 128.7080 56.2854 46.7511 174.1398 35 A 3.8672 7.9673 121.8065 52.8819 18.0917 176.1967 36 N 4.9782 7.7487 109.1641 50.7394 41.7584 175.0976 37 T 4.8931 7.8970 116.2083 62.7931 70.5209 171.9545 38 E 5.0310 7.5890 120.9388 55.4732 33.5229 174.9260 39 I 4.6849 7.7027 121.4182 61.7595 39.2559 174.8046 40 I 4.6241 8.4796 123.2579 61.1870 42.4189 173.6780 41 V 4.7329 8.3191 122.0680 61.1757 35.1392 172.7127 42 K 4.7242 8.7036 119.9358 54.6289 31.6157 174.5823 43 L 3.5443 8.6566 120.6913 54.4761 42.6036 177.8209 44 S 3.6899 6.4418 112.7391 56.2347 68.7296 174.3096 45 D 4.9202 8.5370 111.2180 53.8439 41.0731 176.8806 46 G 4.0551 8.0143 106.9452 46.6262 0.0000 173.8183 47 R 4.2968 7.4126 118.6387 53.7565 33.3047 174.7168 48 E 4.1924 8.0369 121.0576 56.1416 32.4163 173.6080 49 L 4.3243 8.2376 131.4976 55.2777 48.1424 170.3044 50 C 4.9843 8.6971 111.6228 55.8835 39.7445 172.3312 51 L 4.5796 8.3476 118.2093 55.4722 44.8384 176.0347 52 D 4.9815 8.5185 127.3580 52.8924 42.4067 174.9148 53 P 4.6376 0.0000 0.0000 63.4388 30.0873 176.2832 54 A 3.8466 7.9204 129.4057 53.5084 16.2826 177.3674 55 S 4.5910 7.5729 115.8790 57.8113 63.1190 172.8466 56 P 4.2875 0.0000 0.0000 63.6598 31.3812 177.5690 57 I 3.6815 7.2193 121.0866 65.1039 37.1493 178.3612 58 V 3.6571 7.7498 118.8234 64.5466 31.2901 177.9385 59 K 4.0544 8.1298 120.2043 58.8753 32.1227 178.7391 60 K 4.1219 8.1293 118.8260 58.8818 31.8068 179.2234 61 I 3.8465 7.5334 119.2686 64.0661 37.4048 177.7193 62 I 4.0162 7.6622 120.1441 63.8491 37.0910 178.1569 63 E 4.0424 8.2195 119.6062 59.1163 29.2089 179.3324 64 K 4.1015 8.0130 117.9568 59.2057 31.7327 179.0165 65 M 4.0394 7.6143 118.5260 58.2319 32.1690 177.9962 66 L 4.1031 7.8921 118.2484 58.4075 41.9658 179.3878 67 N 4.2881 8.1929 115.8813 56.5048 38.1930 177.4200 68 S 4.1485 7.9566 113.9746 61.0354 62.5619 175.1078 69 D 4.5113 8.0350 119.3944 55.5221 41.6438 176.0137 70 K 4.3778 7.5674 118.9617 57.1316 31.9636 177.3553 71 S 4.6642 7.9337 112.3667 58.3678 63.9926 174.6828 72 N 4.6011 7.9072 123.3199 53.3402 38.8697 174.1863 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 S 8.33 4.30 0.00 3.84 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 2 A 7.44 4.55 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 3 K 9.32 3.80 0.00 1.75 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.50 7.81 4 E 8.86 3.84 0.00 1.95 1.94 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 2.33 2.32 0.00 5 L 8.52 4.00 0.00 1.63 1.64 0.92 1.01 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 6 R 8.07 4.38 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 7 C 8.85 4.15 0.00 2.97 2.97 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 8 Q 7.97 4.20 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 9 C 7.53 4.89 0.00 3.02 3.02 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 10 I 8.49 4.38 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 1.10 1.10 0.99 0.00 0.00 11 K 7.70 5.21 0.00 1.86 1.92 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.31 7.81 12 T 8.24 4.64 4.66 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 1.29 0.00 0.00 13 Y 8.86 4.90 0.00 3.16 3.32 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 0.00 14 S 5.81 4.27 0.00 3.56 3.24 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 0.00 15 K 5.66 4.57 0.00 1.90 1.68 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.10 1.43 7.81 16 P 0.00 4.98 0.00 2.22 2.08 0.00 3.89 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 2.00 1.97 0.00 17 F 7.53 4.54 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 18 H 8.40 4.19 0.00 3.23 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.16 2.02 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 20 K 8.20 4.04 0.00 1.87 2.02 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.48 7.81 21 F 8.39 4.70 0.00 3.35 3.23 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 0.00 22 I 7.51 3.88 1.89 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 1.31 0.60 1.24 0.00 0.00 23 K 8.29 4.05 0.00 1.62 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 24 E 7.89 4.51 0.00 1.89 1.77 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 2.25 2.30 0.00 25 L 8.67 4.73 0.00 1.66 1.62 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.43 4.65 0.00 1.90 1.77 0.00 3.10 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 27 V 8.10 4.63 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 1.08 0.00 0.00 0.95 0.00 0.00 28 I 8.42 4.05 1.85 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 1.14 0.72 0.98 0.00 0.00 29 E 7.69 4.52 0.00 2.00 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 2.22 2.29 0.00 30 S 7.79 4.45 0.00 3.90 4.05 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 0.00 0.00 0.00 0.00 31 G 8.74 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 32 P 0.00 4.55 0.00 2.10 2.01 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 33 H 7.40 4.69 0.00 3.21 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.51 5.09 0.00 2.94 3.10 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 35 A 7.97 3.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.98 0.00 2.62 2.72 0.00 0.00 6.30 7.04 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 37 T 7.90 4.89 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 1.24 0.00 0.00 38 E 7.59 5.03 0.00 1.98 1.86 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 2.44 2.37 0.00 39 I 7.70 4.68 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.94 0.00 0.00 40 I 8.48 4.62 2.04 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 1.23 1.02 0.00 0.00 41 V 8.32 4.73 2.25 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 1.07 0.00 0.00 1.10 0.00 0.00 42 K 8.70 4.72 0.00 1.79 1.64 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.34 7.81 43 L 8.66 3.54 0.00 1.47 1.62 -0.27 -2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.44 3.69 0.00 2.93 2.98 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 0.00 0.00 0.00 45 D 8.54 4.92 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 46 G 8.01 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.41 4.30 0.00 0.87 0.66 0.00 2.74 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 48 E 8.04 4.19 0.00 1.73 1.74 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 2.18 2.17 0.00 49 L 8.24 4.32 0.00 1.98 1.67 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.70 4.98 0.00 3.09 3.29 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 51 L 8.35 4.58 0.00 1.73 1.62 1.25 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.52 4.98 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.64 0.00 2.23 2.19 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 54 A 7.92 3.85 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 55 S 7.57 4.59 0.00 3.94 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 56 P 0.00 4.29 0.00 2.28 2.33 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 57 I 7.22 3.68 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 1.58 0.84 0.91 0.00 0.00 58 V 7.75 3.66 2.09 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 0.97 0.00 0.00 0.99 0.00 0.00 59 K 8.13 4.05 0.00 1.86 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.43 1.48 7.81 60 K 8.13 4.12 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.66 7.81 61 I 7.53 3.85 2.02 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 1.64 0.34 0.95 0.00 0.00 62 I 7.66 4.02 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.90 0.00 0.00 63 E 8.22 4.04 0.00 2.15 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 2.27 2.59 0.00 64 K 8.01 4.10 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 65 M 7.61 4.04 0.00 1.96 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 66 L 7.89 4.10 0.00 1.83 1.73 1.03 0.65 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 67 N 8.19 4.29 0.00 2.74 2.88 0.00 0.00 6.78 7.37 0.00 0.00 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 S 7.96 4.15 0.00 4.01 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 69 D 8.04 4.51 0.00 2.69 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 70 K 7.57 4.38 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 71 S 7.93 4.66 0.00 3.84 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 72 N 7.91 4.60 0.00 2.64 2.67 0.00 0.00 6.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00