NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8869 8.3549 109.7360 45.2006 0.0000 176.9377 2 I 4.3303 8.3714 130.9729 58.9181 39.1014 173.5127 3 G 4.1559 8.4396 114.9404 43.3907 0.0000 171.0911 4 D 4.8080 7.7395 118.0134 50.1773 43.4072 173.6777 5 P 4.2929 0.0000 0.0000 65.7347 31.4277 179.0401 6 V 3.5281 7.8010 117.7236 66.1887 31.3843 177.7335 7 T 3.8450 8.4863 114.3844 66.8707 68.5233 175.1149 8 C 4.3002 8.0621 120.0052 60.0605 43.1055 175.7481 9 L 4.1688 8.1032 121.6719 57.1239 40.9792 179.3724 10 K 3.9487 8.0364 119.0520 59.4181 32.2018 178.1871 11 S 4.4274 7.7074 111.4370 58.8611 63.3087 175.0115 12 G 3.8159 8.0397 111.0042 45.2818 0.0000 173.3050 13 A 4.7239 7.4069 122.3663 51.0432 20.8671 176.3807 14 I 4.6676 8.6782 111.6943 59.5145 41.0750 173.9866 15 C 5.2756 8.6416 120.3157 55.7414 39.9173 172.8608 16 H 4.9845 9.0366 121.8574 53.2121 30.2739 174.5037 17 P 4.4404 0.0000 0.0000 64.9878 31.7788 177.0027 18 V 4.2974 7.8619 115.3451 63.8409 33.5473 174.9473 19 F 4.7319 7.8154 118.1275 56.4049 42.2132 174.2077 20 C 4.2175 7.9808 124.1543 56.2248 35.9137 172.2412 21 P 4.5085 0.0000 0.0000 62.2353 31.6234 176.4404 22 R 4.1876 8.2071 119.6073 57.6547 30.6958 175.8048 23 R 4.4721 8.8339 118.8831 56.4942 28.5026 176.8415 24 Y 4.3964 7.5330 113.3344 57.3628 39.1586 175.4995 25 K 4.6906 8.7804 121.3736 54.2984 35.5293 175.5334 26 Q 4.5632 8.6834 125.7685 56.3812 29.2717 175.5552 27 I 4.4160 8.9501 118.6783 60.1100 39.2610 175.7348 28 G 3.8933 6.8832 109.4546 46.3851 0.0000 171.6586 29 T 5.0310 7.4935 108.4210 59.3390 71.5733 173.0866 30 C 4.6752 8.6292 117.6261 56.4687 41.8922 175.1505 31 G 4.0352 8.8481 110.8988 44.4013 0.0000 175.6965 32 L 4.1063 8.8787 117.7762 53.7254 43.1891 175.0359 33 P 4.4904 0.0000 0.0000 64.2308 31.8406 174.9914 34 G 4.2199 9.0322 109.8754 45.9960 0.0000 174.3417 35 T 4.4966 7.7849 109.3194 61.5037 70.2414 174.1289 36 K 4.8382 9.1595 122.8260 54.8083 36.5117 174.1921 37 C 5.1214 9.1774 124.6273 55.6451 45.5480 171.6763 38 C 5.6957 9.2663 123.4450 55.1405 42.5949 173.0634 39 K 5.1312 9.1635 123.5104 54.4000 35.6485 175.5253 40 K 4.2615 8.5324 126.2888 55.6099 32.8248 175.3042 41 P 4.3614 0.0000 0.0000 62.9328 31.2403 176.3065 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 G 8.35 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 0.00 0.00 0.00 2 I 8.37 4.33 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 1.35 0.94 0.96 0.00 0.00 3 G 8.44 4.16 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 0.00 4 D 7.74 4.81 0.00 2.83 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 5 P 0.00 4.29 0.00 2.28 2.34 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 6 V 7.80 3.53 2.19 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 1.06 0.00 0.00 0.93 0.00 0.00 7 T 8.49 3.85 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 1.21 0.00 0.00 8 C 8.06 4.30 0.00 3.11 3.28 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 9 L 8.10 4.17 0.00 1.72 1.70 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.04 3.95 0.00 2.02 1.94 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.60 7.81 11 S 7.71 4.43 0.00 4.04 3.97 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 12 G 8.04 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 0.00 0.00 0.00 13 A 7.41 4.72 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 4.67 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.96 0.00 0.00 15 C 8.64 5.28 0.00 2.83 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 16 H 9.04 4.98 0.00 2.95 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.44 0.00 2.18 2.17 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 18 V 7.86 4.30 2.17 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 0.90 0.00 0.00 0.97 0.00 0.00 19 F 7.82 4.73 0.00 2.90 2.82 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 20 C 7.98 4.22 0.00 2.78 2.95 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 21 P 0.00 4.51 0.00 2.24 1.95 0.00 3.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 22 R 8.21 4.19 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 23 R 8.83 4.47 0.00 1.98 2.15 0.00 3.21 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 24 Y 7.53 4.40 0.00 2.92 2.89 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 25 K 8.78 4.69 0.00 1.62 1.66 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.48 7.81 26 Q 8.68 4.56 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 27 I 8.95 4.42 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 1.32 0.86 0.97 0.00 0.00 28 G 6.88 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 0.00 0.00 0.00 29 T 7.49 5.03 4.38 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 0.00 0.00 1.20 0.00 0.00 30 C 8.63 4.68 0.00 2.96 3.08 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 0.00 0.00 0.00 0.00 31 G 8.85 4.04 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 0.00 0.00 0.00 32 L 8.88 4.11 0.00 1.72 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.49 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 34 G 9.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.50 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 36 K 9.16 4.84 0.00 1.58 1.58 0.00 1.36 0.00 0.00 1.45 0.00 0.00 2.38 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.44 7.81 37 C 9.18 5.12 0.00 3.07 3.03 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 38 C 9.27 5.70 0.00 2.77 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 39 K 9.16 5.13 0.00 1.87 1.61 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 8.53 4.26 0.00 1.46 1.46 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.54 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.60 7.81 41 P 0.00 4.36 0.00 2.00 1.94 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00