NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2008 8.2649 122.4480 51.8419 20.3401 176.1227 2 Q 4.4113 8.2701 118.1801 53.3396 30.9404 171.3636 3 E 4.4444 9.1412 119.0569 54.5889 34.1731 173.8775 4 F 5.5530 8.2801 117.8618 56.0239 43.9537 173.5954 5 S 5.0839 9.7045 117.7829 57.0759 64.0878 172.7443 6 V 4.9280 8.1118 127.0675 60.6823 32.8284 175.8423 7 K 4.7008 9.5979 129.1558 54.7309 31.9886 177.7910 8 G 4.1540 7.7659 102.3752 46.2220 0.0000 173.4174 9 M 4.0805 8.0626 118.9394 55.0908 32.9819 175.7514 10 S 4.4495 8.4930 118.2220 58.2755 65.8824 173.9134 11 C 3.5846 9.7319 117.0286 59.0167 28.8505 174.4358 12 N 4.8875 7.5674 115.8270 52.5722 38.1198 175.0453 13 H 4.4231 8.3744 119.5282 57.7009 29.5839 176.0417 14 C 4.0550 7.7459 115.3254 63.4835 27.9117 175.5616 15 V 3.6524 7.7440 119.0447 66.2230 30.6623 177.7729 16 A 3.8762 7.8952 119.4413 55.1343 18.2798 178.9730 17 R 3.8947 8.3134 117.4221 59.9367 29.9624 178.4916 18 I 4.0308 8.6359 120.1985 64.3107 37.1496 177.6407 19 E 4.0106 8.5356 120.4278 59.6227 29.4141 178.7319 20 E 3.8854 9.3156 119.4983 59.3004 29.5384 178.4508 21 A 4.0216 8.6754 120.7830 55.1388 18.4720 179.6859 22 V 3.7647 8.5618 117.4856 66.2329 31.5983 178.5187 23 G 3.2958 8.3755 104.1931 47.5660 0.0000 174.8786 24 R 4.2674 7.7106 119.5497 57.4216 30.2906 176.1996 25 I 3.6095 8.4003 121.6182 61.2204 36.9086 174.9906 26 S 4.3850 8.7053 121.3159 60.3478 60.6926 173.0896 27 G 4.7200 8.1279 126.6252 44.7872 0.0000 170.6532 28 V 4.3206 7.5456 121.9323 62.1027 32.4309 175.4517 29 K 4.3894 9.1038 129.8522 58.7761 32.7491 177.0096 30 K 4.8511 7.7525 117.5654 55.6719 35.6398 174.8871 31 V 4.9555 8.3277 121.3007 60.1763 34.9389 173.9203 32 K 5.4824 9.3678 122.3659 54.2863 36.5135 174.7364 33 V 4.7652 8.1870 121.1236 61.2533 34.5476 174.2357 34 Q 4.5475 8.4405 126.2048 53.7553 30.6084 175.3686 35 L 4.1822 8.4704 126.1802 55.3705 42.8636 176.6176 36 K 3.8984 8.6604 120.3440 56.8762 30.7643 175.3167 37 K 4.3203 7.5573 117.6276 55.7058 34.4539 175.8391 38 E 3.8150 8.3787 116.7198 56.3970 27.0164 173.6558 39 K 5.1372 7.6118 114.8749 55.7338 36.4066 174.5430 40 A 4.9009 9.4993 124.8629 50.0999 22.3607 175.1675 41 V 4.4570 8.4259 122.2310 60.0836 33.5528 175.4500 42 V 4.6899 8.0262 123.3612 59.6167 34.1504 175.6704 43 K 4.6422 9.0489 123.5446 54.5970 31.6692 174.5521 44 F 5.4944 7.8589 117.5549 54.8094 41.1499 174.6102 45 D 4.5113 8.2914 117.9463 52.9376 44.5023 176.7545 46 E 4.9804 8.9839 124.1669 57.8465 29.9506 177.5104 47 A 4.4917 8.3404 120.2521 52.9409 19.0847 176.6822 48 N 4.8504 8.1648 113.2943 54.9301 41.5939 174.2985 49 V 4.6865 8.4213 116.0896 60.6869 35.1760 172.7611 50 Q 5.0091 8.2046 121.9040 53.9382 31.8458 176.6893 51 A 3.6345 8.7989 125.4032 55.6814 18.4357 180.0598 52 T 3.7157 8.0104 113.5951 67.1913 68.5419 176.3393 53 E 3.8781 7.9534 119.5088 59.3503 29.3725 179.2865 54 I 3.5053 7.3349 119.8949 64.3227 36.9361 178.1789 55 C 3.6402 7.6209 117.8903 62.5719 27.7805 175.8407 56 Q 3.8319 7.5394 120.9575 59.2531 28.4265 178.2154 57 A 3.4712 7.4854 120.2393 55.1234 18.4923 179.5441 58 I 3.9408 7.3087 118.4467 64.7387 37.1729 178.3750 59 N 4.5284 8.1290 116.0326 55.9744 38.4132 176.6106 60 E 4.0540 8.8235 120.4686 58.6445 29.7061 177.6208 61 L 4.2252 8.0023 119.3624 53.9224 41.8708 176.8882 62 G 4.6163 5.9477 120.4634 46.2359 0.0000 170.8215 63 Y 4.8360 7.1076 116.6258 56.7488 42.3359 174.1034 64 Q 4.7448 8.9952 121.0564 55.1270 30.5251 174.4332 65 A 5.1072 8.8174 128.7720 50.1961 21.9532 175.1239 66 E 4.6625 8.9767 118.4249 54.6410 33.4866 174.7264 67 V 4.2260 8.5204 124.1081 63.2988 32.2799 175.6632 68 I 4.1525 8.7684 128.3594 61.6146 36.6945 175.8511 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 A 8.26 4.20 1.21 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 0.00 0.00 2 Q 8.27 4.41 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 3 E 9.14 4.44 0.00 1.88 1.80 0.00 0.00 0.00 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 2.24 0.00 4 F 8.28 5.55 0.00 2.97 2.93 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 0.00 5 S 9.70 5.08 0.00 3.89 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 6 V 8.11 4.93 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 0.79 0.00 0.00 0.98 0.00 0.00 7 K 9.60 4.70 0.00 1.66 1.75 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.38 7.81 8 G 7.77 4.15 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 0.00 9 M 8.06 4.08 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 10 S 8.49 4.45 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.73 3.58 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 12 N 7.57 4.89 0.00 2.89 2.90 0.00 0.00 5.87 7.95 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 13 H 8.37 4.42 0.00 3.41 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.75 4.06 0.00 2.92 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.65 2.05 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 0.98 0.00 0.00 0.88 0.00 0.00 16 A 7.90 3.88 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 17 R 8.31 3.89 0.00 2.11 2.05 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 18 I 8.64 4.03 1.96 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.96 0.00 0.00 19 E 8.54 4.01 0.00 2.16 2.05 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 2.39 2.23 0.00 20 E 9.32 3.89 0.00 2.03 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 2.31 2.38 0.00 21 A 8.68 4.02 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.56 3.76 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 1.21 0.00 0.00 1.01 0.00 0.00 23 G 8.38 3.30 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 0.00 24 R 7.71 4.27 0.00 1.84 2.14 0.00 3.27 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 25 I 8.40 3.61 1.91 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 1.11 0.69 0.81 0.00 0.00 26 S 8.71 4.38 0.00 3.83 3.82 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 0.00 0.00 0.00 0.00 27 G 8.13 4.72 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 0.00 0.00 0.00 28 V 7.55 4.32 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 0.82 0.00 0.00 0.99 0.00 0.00 29 K 9.10 4.39 0.00 1.85 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.45 7.81 30 K 7.75 4.85 0.00 1.81 1.85 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.39 7.81 31 V 8.33 4.96 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 0.80 0.00 0.00 1.06 0.00 0.00 32 K 9.37 5.48 0.00 1.74 1.62 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.41 7.81 33 V 8.19 4.77 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 0.79 0.00 0.00 0.94 0.00 0.00 34 Q 8.44 4.55 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 35 L 8.47 4.18 0.00 1.70 1.52 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.66 3.90 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 37 K 7.56 4.32 0.00 1.91 1.80 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 38 E 8.38 3.81 0.00 2.17 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 0.00 2.33 2.23 0.00 39 K 7.61 5.14 0.00 1.75 1.84 0.00 1.43 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.43 7.81 40 A 9.50 4.90 1.32 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 0.00 0.00 41 V 8.43 4.46 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 0.76 0.00 0.00 0.87 0.00 0.00 42 V 8.03 4.69 2.24 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 0.80 0.00 0.00 1.23 0.00 0.00 43 K 9.05 4.64 0.00 1.79 1.84 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.31 7.81 44 F 7.86 5.49 0.00 3.33 3.04 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 0.00 0.00 0.00 0.00 45 D 8.29 4.51 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.98 0.00 2.09 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 2.45 2.42 0.00 47 A 8.34 4.49 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.16 4.85 0.00 2.84 2.81 0.00 0.00 6.62 7.62 0.00 0.00 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 V 8.42 4.69 2.04 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 0.60 0.00 0.00 0.93 0.00 0.00 50 Q 8.20 5.01 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 51 A 8.80 3.63 1.82 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 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 3.72 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 1.17 0.00 0.00 53 E 7.95 3.88 0.00 1.94 1.87 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 2.33 2.29 0.00 54 I 7.33 3.51 1.50 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.76 0.00 0.00 55 C 7.62 3.64 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.54 3.83 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 57 A 7.49 3.47 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 3.94 2.03 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 1.59 0.62 1.03 0.00 0.00 59 N 8.13 4.53 0.00 2.73 2.84 0.00 0.00 7.02 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.82 4.05 0.00 2.01 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 2.28 2.34 0.00 61 L 8.00 4.23 0.00 1.48 1.49 1.16 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 62 G 5.95 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.11 4.84 0.00 2.84 2.84 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 64 Q 9.00 4.74 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 65 A 8.82 5.11 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 66 E 8.98 4.66 0.00 2.05 2.04 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 0.00 2.25 2.31 0.00 67 V 8.52 4.23 2.15 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 1.00 0.00 0.00 0.87 0.00 0.00 68 I 8.77 4.15 2.00 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 1.13 0.95 0.93 0.00 0.00