NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3234 8.2549 117.2815 54.8793 30.8062 175.0218 2 P 4.0558 0.0000 0.0000 61.8042 31.9900 174.4876 3 D 4.4575 8.4852 123.0599 53.1857 42.2427 176.6019 4 F 4.4734 8.4915 122.4620 59.4235 38.1408 177.8217 5 C 4.6141 8.0539 118.4227 59.1374 40.0395 174.1938 6 L 4.4530 7.7272 117.8797 54.5852 41.7498 176.5744 7 E 4.3142 7.7912 119.5359 54.9760 30.1779 175.1190 8 P 4.3710 0.0000 0.0000 61.4496 32.0970 174.6661 9 P 3.6188 0.0000 0.0000 62.6958 31.3958 175.1804 10 Y 4.6338 7.9053 121.9648 56.0702 40.2983 175.3672 11 T 4.2167 7.7206 124.6476 64.6438 68.8620 176.1908 12 G 3.7698 6.7298 104.6857 44.0514 0.0000 171.3493 13 P 4.3187 0.0000 0.0000 65.1838 32.0674 177.5812 14 S 4.2716 7.7736 114.4164 58.5624 63.2668 174.0177 15 K 4.6737 8.2023 120.3158 56.4163 32.5452 176.7647 16 A 4.2876 7.8075 120.9684 51.2987 20.6393 177.6733 17 R 4.6380 8.1519 118.7588 54.3517 29.8166 172.8372 18 I 4.3718 8.3069 122.6438 59.1987 39.6216 174.8680 19 I 4.3848 8.2955 128.3844 60.9672 37.7725 175.3448 20 R 4.8862 8.4245 125.1619 54.5929 34.8398 173.7064 21 Y 5.6049 9.4998 117.7729 56.5952 41.0271 175.3734 22 F 5.7182 9.6266 117.1466 55.3914 42.2225 172.9330 23 Y 4.4226 10.1773 122.9194 57.3505 39.9998 173.8388 24 N 4.7608 8.0728 126.8507 51.7001 38.7109 174.9833 25 A 3.8342 8.4611 129.5556 54.8151 18.9436 178.7950 26 K 3.9876 8.2063 115.6217 59.2402 32.3393 177.4476 27 A 4.2153 7.8218 119.2528 51.7082 19.1660 177.1159 28 G 3.9151 8.1663 103.9318 45.2501 0.0000 173.4010 29 L 4.5682 6.7842 116.7614 54.2308 43.9775 174.6746 30 C 4.8586 8.7334 118.1975 57.0170 38.4753 173.1564 31 Q 4.8983 8.7620 122.8389 54.0857 32.2033 174.8049 32 T 4.8514 8.3089 110.7666 61.2998 70.6765 173.6314 33 F 4.9599 8.8523 117.1035 56.1218 42.1728 172.7973 34 V 4.2986 8.4551 119.5086 62.0257 32.8724 173.5824 35 Y 4.8091 8.7905 130.0878 55.9607 40.3442 176.4985 36 G 3.8690 8.3306 113.7532 46.1996 0.0000 174.9272 37 G 3.7194 5.9791 107.1536 45.3457 0.0000 173.3289 38 C 4.7976 6.9089 114.7867 57.9328 32.6443 173.6975 39 R 3.9363 8.8815 115.3423 56.8712 26.3929 177.6058 40 A 4.2835 8.4180 121.0447 53.2413 18.8700 178.7412 41 K 4.3350 8.3242 121.4544 55.0952 33.8353 177.1691 42 R 3.6049 8.0367 117.7095 58.6682 30.4734 177.4542 43 N 4.7355 7.7895 118.3377 51.3010 37.4592 174.4006 44 N 5.0566 6.4512 116.5169 52.8073 41.6716 173.0983 45 F 5.0950 9.5419 124.8191 55.5778 42.4369 176.6561 46 K 4.5186 8.8766 122.2768 58.5159 32.6047 177.6746 47 S 4.5653 7.7515 112.4046 55.5739 67.2094 174.6053 48 A 3.2540 7.4556 124.0021 54.9347 18.0542 179.9530 49 E 3.7905 7.7895 116.7179 59.6011 29.6211 179.1161 50 D 4.2823 8.0451 118.9057 57.3123 40.8664 177.9785 51 C 2.4500 7.7104 118.8425 59.4745 44.7025 175.6301 52 M 3.8849 8.0485 120.5841 58.2509 31.2445 178.7676 53 R 3.8078 7.6997 118.1127 59.4241 30.2872 178.1950 54 T 4.2293 7.3954 114.3259 65.1552 69.2830 174.9353 55 C 4.5455 8.1336 115.6815 55.8174 41.6577 174.0214 56 G 3.6828 7.5288 110.3316 47.1171 0.0000 174.1970 57 G 3.7763 8.8200 111.8461 45.2837 0.0000 173.1201 58 A 4.0095 7.0346 127.4804 52.1652 18.2878 177.8757 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 4.32 0.00 1.96 2.02 0.00 3.05 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 2 P 0.00 4.06 0.00 2.18 2.05 0.00 3.69 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 2.04 2.14 0.00 3 D 8.49 4.46 0.00 2.61 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 4 F 8.49 4.47 0.00 3.22 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 5 C 8.05 4.61 0.00 2.96 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 6 L 7.73 4.45 0.00 1.78 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.79 4.31 0.00 2.07 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 2.44 2.49 0.00 8 P 0.00 4.37 0.00 1.98 1.91 0.00 3.68 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 2.02 2.07 0.00 9 P 0.00 3.62 0.00 0.61 0.49 0.00 3.29 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.91 4.63 0.00 2.82 2.91 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 0.00 0.00 0.00 11 T 7.72 4.22 4.11 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 1.17 0.00 0.00 12 G 6.73 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 13 P 0.00 4.32 0.00 2.18 2.20 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 S 7.77 4.27 0.00 3.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.67 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 16 A 7.81 4.29 1.16 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 0.00 0.00 17 R 8.15 4.64 0.00 1.73 1.76 0.00 3.34 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.31 4.37 2.02 0.00 0.00 0.81 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 0.41 0.97 0.00 0.00 19 I 8.30 4.38 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.74 0.00 0.00 20 R 8.42 4.89 0.00 0.88 1.92 0.00 3.42 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.50 5.60 0.00 3.17 3.06 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 22 F 9.63 5.72 0.00 3.14 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 23 Y 10.18 4.42 0.00 3.06 3.19 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 24 N 8.07 4.76 0.00 2.18 2.43 0.00 0.00 6.63 8.24 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 25 A 8.46 3.83 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 26 K 8.21 3.99 0.00 1.73 2.01 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.82 4.22 1.17 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 0.00 0.00 28 G 8.17 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 0.00 0.00 0.00 29 L 6.78 4.57 0.00 1.65 1.66 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.73 4.86 0.00 2.91 3.20 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 31 Q 8.76 4.90 0.00 1.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 32 T 8.31 4.85 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 0.61 0.00 0.00 33 F 8.85 4.96 0.00 3.09 3.19 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 34 V 8.46 4.30 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 0.88 0.00 0.00 0.90 0.00 0.00 35 Y 8.79 4.81 0.00 2.53 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 37 G 5.98 3.72 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 38 C 6.91 4.80 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.88 3.94 0.00 2.01 1.91 0.00 3.28 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 40 A 8.42 4.28 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.34 0.00 1.73 1.69 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.15 1.18 7.81 42 R 8.04 3.60 0.00 0.90 0.66 0.00 2.30 0.00 0.00 2.81 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 43 N 7.79 4.74 0.00 3.16 2.86 0.00 0.00 6.70 7.79 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 44 N 6.45 5.06 0.00 2.66 2.55 0.00 0.00 7.08 7.02 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 45 F 9.54 5.10 0.00 3.31 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 46 K 8.88 4.52 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.75 4.57 0.00 4.01 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 48 A 7.46 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.79 3.79 0.00 1.98 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 2.34 2.38 0.00 50 D 8.05 4.28 0.00 2.92 2.87 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 51 C 7.71 2.45 0.00 2.85 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 52 M 8.05 3.88 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 53 R 7.70 3.81 0.00 1.84 2.01 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.40 4.23 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 1.61 0.00 0.00 55 C 8.13 4.55 0.00 2.80 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 0.00 0.00 0.00 57 G 8.82 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.03 4.01 0.90 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 0.00 0.00