NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.0754 8.4449 118.7966 56.8447 30.7737 172.7634 13 L 3.2084 8.5374 127.5600 54.4428 38.6772 169.2779 14 V 4.0693 8.0659 118.5286 59.4284 31.9285 174.7313 15 D 4.4386 8.2214 123.7843 53.1974 42.1382 174.4111 16 P 4.2330 0.0000 0.0000 65.4316 31.3125 177.9550 17 L 3.9031 8.1150 119.2277 58.6899 41.8640 179.0767 18 T 4.1299 7.7940 108.8601 64.6840 68.6491 176.5336 19 T 3.8058 7.5319 118.6715 66.0866 68.6848 175.9296 20 V 4.0891 7.7345 118.5798 63.7488 31.9788 177.7056 21 R 3.9588 8.4142 119.0773 59.6668 30.0209 178.1586 22 E 4.2912 7.8118 119.5014 58.6966 29.1689 178.9702 23 Q 4.1203 8.0029 118.6449 58.9384 29.2508 178.4433 24 C 4.4490 7.7334 116.9639 60.1268 38.9258 175.4580 25 E 4.1157 8.6211 120.4906 58.7786 30.0661 177.7266 26 Q 4.6256 7.3991 118.5752 53.7475 26.1328 174.8444 27 L 4.8298 6.7064 122.3259 52.1970 45.7864 175.9888 28 E 3.8869 8.8239 122.9862 60.3970 29.1907 180.1199 29 K 3.8062 7.8476 116.9385 58.7515 32.4463 178.9178 30 C 4.2493 7.8426 119.2543 62.5854 31.7523 175.4232 31 V 3.6933 7.8208 119.7862 65.9237 30.7831 177.9120 32 K 3.9188 7.7237 117.7913 59.5744 31.5228 178.8158 33 A 4.2722 8.0076 120.0513 54.2119 18.4026 179.3364 34 R 3.6896 7.9406 117.0774 58.8257 30.2878 178.1234 35 E 3.9605 8.3174 118.9954 59.3884 29.4372 179.3805 36 R 4.0940 7.7028 114.0518 58.3370 29.5461 178.6127 37 L 3.9464 7.3581 121.6292 58.1294 42.0923 178.2960 38 E 4.1244 8.4320 121.0614 58.8147 29.3503 178.7694 39 L 4.0644 7.7323 117.9182 57.4522 41.9267 178.2492 40 C 4.4293 7.9989 119.1102 59.4027 41.2235 175.1226 41 D 4.3397 8.2013 120.7321 57.5010 40.2233 178.3666 42 E 4.3922 8.2168 115.8445 56.6909 29.5622 177.7011 43 R 4.4901 7.7474 117.2740 56.9384 31.8225 177.9581 44 V 3.6405 7.8303 117.7351 65.7024 31.7558 177.3896 45 S 4.3054 8.0505 115.0216 61.5958 62.9025 175.9511 46 S 4.1938 8.0129 115.3953 61.2261 62.8123 174.7021 47 R 4.2284 7.4451 118.8120 55.0551 30.8456 175.6374 48 S 4.1331 8.3525 116.3359 59.8461 62.3313 174.8817 49 Q 4.4920 8.0263 116.8997 54.7614 29.9310 174.0689 50 T 4.3839 7.5282 116.7468 62.9643 70.3551 174.8040 51 E 4.8008 8.2877 117.0921 55.0438 31.6934 176.8020 52 E 4.2651 7.9611 120.9551 55.5371 28.5948 175.1542 53 D 4.7214 7.5986 121.9566 54.6570 42.0956 177.6597 54 C 5.3864 8.2193 114.6266 56.3665 40.9356 176.7421 55 T 3.7322 8.0751 116.3944 65.1699 67.2051 174.3168 56 E 4.0432 8.1548 121.0787 59.4928 29.6616 178.5399 57 E 4.1964 8.1243 118.0108 58.9809 29.6853 179.0553 58 L 4.0089 7.6415 120.0780 58.4006 42.2198 179.1876 59 L 4.1141 7.8567 118.2852 57.7388 41.3541 179.2487 60 D 4.4202 8.1583 118.6461 57.2215 40.7366 178.4324 61 F 4.1674 8.1411 120.9287 61.4269 39.5273 177.3491 62 L 3.7158 8.0045 118.1343 57.4651 40.9541 179.0717 63 H 4.0909 8.3363 118.4089 59.3595 29.6669 177.2489 64 A 3.9374 7.3916 121.2653 54.8855 18.4529 179.4310 65 R 3.7401 7.7660 117.4386 59.7074 30.1345 178.5567 66 D 4.4412 8.0917 118.2255 56.8838 40.5081 178.2300 67 H 4.0476 7.6432 118.4934 59.3846 29.6376 176.0640 68 C 4.4682 8.2418 120.2967 59.3259 39.4512 175.3619 69 V 3.5794 7.9116 119.3602 66.2728 29.5995 177.7401 70 A 4.0849 7.7955 120.2446 55.5152 17.9423 179.1764 71 H 4.5225 7.8499 113.2339 58.3313 29.0466 176.6007 72 K 4.8776 7.6109 117.3385 55.5311 34.6654 177.8896 73 L 3.8779 7.9422 120.3698 58.3106 41.8220 177.8438 74 F 4.4872 8.2909 113.0237 57.7159 39.4681 176.2796 75 N 4.5445 8.4998 120.7656 55.9001 38.9508 175.6835 76 S 4.9222 7.6971 108.7919 57.0017 62.8689 173.8160 77 L 4.5508 7.4758 119.0822 53.2943 43.6235 177.5046 78 K 4.1570 8.5776 122.0601 56.7437 31.9702 176.8529 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 12 E 8.44 4.08 0.00 2.09 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 2.17 2.34 0.00 13 L 8.54 3.21 0.00 1.89 1.77 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.07 4.07 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 0.69 0.00 0.00 0.92 0.00 0.00 15 D 8.22 4.44 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.23 0.00 2.14 2.05 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 17 L 8.12 3.90 0.00 1.73 1.89 0.93 0.83 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 18 T 7.79 4.13 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 1.23 0.00 0.00 19 T 7.53 3.81 4.35 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 1.21 0.00 0.00 20 V 7.73 4.09 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 1.03 0.00 0.00 1.00 0.00 0.00 21 R 8.41 3.96 0.00 2.05 1.95 0.00 3.19 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 22 E 7.81 4.29 0.00 2.22 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 2.35 2.24 0.00 23 Q 8.00 4.12 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 24 C 7.73 4.45 0.00 3.14 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 25 E 8.62 4.12 0.00 2.07 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 0.00 2.67 2.64 0.00 26 Q 7.40 4.63 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 27 L 6.71 4.83 0.00 1.79 1.44 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.82 3.89 0.00 2.01 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 2.42 2.39 0.00 29 K 7.85 3.81 0.00 1.70 1.85 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 C 7.84 4.25 0.00 3.03 3.18 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 0.00 0.00 0.00 31 V 7.82 3.69 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.10 0.00 0.00 32 K 7.72 3.92 0.00 2.00 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 33 A 8.01 4.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 3.69 0.00 1.92 1.96 0.00 3.08 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 35 E 8.32 3.96 0.00 2.29 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 2.33 0.00 36 R 7.70 4.09 0.00 2.09 2.20 0.00 2.79 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 37 L 7.36 3.95 0.00 1.83 1.81 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.43 4.12 0.00 2.25 1.91 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 2.28 2.33 0.00 39 L 7.73 4.06 0.00 1.80 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.00 4.43 0.00 3.09 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.34 0.00 2.83 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 42 E 8.22 4.39 0.00 2.01 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 2.33 2.34 0.00 43 R 7.75 4.49 0.00 1.93 2.23 0.00 3.16 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 44 V 7.83 3.64 2.16 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 0.78 0.00 0.00 0.97 0.00 0.00 45 S 8.05 4.31 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.01 4.19 0.00 3.95 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 47 R 7.45 4.23 0.00 2.00 1.84 0.00 3.27 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 48 S 8.35 4.13 0.00 3.87 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 49 Q 8.03 4.49 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 50 T 7.53 4.38 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 51 E 8.29 4.80 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 52 E 7.96 4.27 0.00 1.93 1.89 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 2.29 2.33 0.00 53 D 7.60 4.72 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 5.39 0.00 2.95 3.05 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 55 T 8.08 3.73 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 1.22 0.00 0.00 56 E 8.15 4.04 0.00 2.09 1.92 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 2.39 2.42 0.00 57 E 8.12 4.20 0.00 2.11 2.02 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 2.61 2.45 0.00 58 L 7.64 4.01 0.00 2.01 1.87 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.86 4.11 0.00 1.90 1.73 0.97 1.35 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 60 D 8.16 4.42 0.00 2.94 2.77 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 61 F 8.14 4.17 0.00 3.15 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 62 L 8.00 3.72 0.00 1.87 1.70 1.27 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.34 4.09 0.00 3.40 3.35 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.39 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.77 3.74 0.00 0.96 1.46 0.00 3.17 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 66 D 8.09 4.44 0.00 2.84 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 67 H 7.64 4.05 0.00 3.34 3.40 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.24 4.47 0.00 3.07 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 69 V 7.91 3.58 2.23 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 1.02 0.00 0.00 1.06 0.00 0.00 70 A 7.80 4.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.85 4.52 0.00 3.33 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.61 4.88 0.00 1.97 1.82 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 73 L 7.94 3.88 0.00 2.01 2.01 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.29 4.49 0.00 2.98 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.50 4.54 0.00 3.01 2.89 0.00 0.00 6.46 7.60 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 76 S 7.70 4.92 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.48 4.55 0.00 1.48 1.46 0.62 0.92 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 78 K 8.58 4.16 0.00 1.72 1.71 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81