NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9344 8.1293 121.6790 57.9715 38.5842 174.0224 2 D 4.2893 8.3750 123.6540 51.6807 39.9390 176.2986 3 G 3.8594 8.6505 108.4341 46.3254 0.0000 175.4048 4 Q 4.3146 8.5813 117.5810 55.4850 29.0689 175.3159 5 N 4.7417 7.9341 117.4304 51.9745 38.8794 173.3407 6 C 5.0277 8.3765 122.4996 54.7366 41.9135 174.7610 7 K 4.0094 8.4216 124.3789 59.4781 32.7755 176.8913 8 E 4.7282 7.7091 116.7176 53.7937 33.5403 172.4159 9 P 4.3620 0.0000 0.0000 64.3255 31.5737 177.2649 10 G 3.9372 9.1813 110.8921 45.5700 0.0000 173.1340 11 N 4.8832 8.3710 118.4843 51.6776 39.1219 173.2757 12 C 5.0845 8.4934 117.4888 55.6150 41.6292 174.3699 13 W 4.3680 7.6034 127.4030 57.5846 30.8086 175.0797 14 E 3.8266 5.9000 122.4102 53.7431 32.9503 175.0781 15 N 3.7523 7.2208 119.4043 52.0965 38.4159 175.2722 16 K 4.1804 8.1299 120.1639 54.9538 33.0452 174.7013 17 P 4.3575 0.0000 0.0000 64.9232 31.1149 176.7744 18 G 3.8666 9.2531 111.5187 45.0336 0.0000 172.3111 19 Y 4.8031 7.6999 116.8839 55.1241 40.4648 173.9754 20 P 4.6479 0.0000 0.0000 62.6111 32.3305 176.5339 21 E 4.3782 8.8042 119.3469 58.5859 29.8023 177.7724 22 K 4.6981 7.8386 116.8891 54.4970 35.5854 176.1960 23 I 4.0796 8.3687 115.7976 62.0649 38.4805 175.7529 24 A 4.2409 7.8662 124.9441 53.6306 18.4335 177.7066 25 G 3.9271 9.6809 112.6894 45.2085 0.0000 173.5436 26 S 4.5924 7.7869 115.2170 56.3879 64.8245 174.8054 27 K 4.0857 8.2027 117.7567 58.3777 32.3137 176.9159 28 Y 4.7847 7.4875 116.6451 57.7424 38.2249 175.0612 29 D 4.4905 7.8627 121.3999 53.8135 41.3490 174.8060 30 P 4.2377 0.0000 0.0000 63.6578 32.0377 176.1554 31 K 3.7856 8.1825 118.1302 57.4317 30.1150 175.0430 32 H 4.3290 7.8227 113.8133 55.8863 29.7811 175.7592 33 D 4.6297 8.5628 122.4184 52.9009 42.1450 175.3490 34 P 4.2156 0.0000 0.0000 65.8169 31.1029 178.7044 35 V 3.5797 8.0142 116.2795 66.0562 31.7444 177.7086 36 E 4.1102 8.0837 117.8100 59.4018 29.2035 178.9858 37 L 3.9938 7.8929 118.0712 57.7265 42.0245 178.5413 38 N 4.6683 8.1291 114.0569 53.7029 38.7315 177.2105 39 K 3.9953 7.9268 121.8291 59.5030 32.0857 179.1169 40 Q 3.9855 7.9895 117.8919 58.8593 28.7399 178.1842 41 E 3.9190 8.1019 119.8104 59.3417 29.8626 178.4846 42 E 3.9634 8.1226 118.5877 59.4432 29.4316 179.3369 43 S 4.0876 8.2001 113.0796 61.5288 62.4943 176.2758 44 I 3.6987 7.9290 122.5673 64.0577 36.6919 178.3188 45 K 3.8743 8.2028 120.2991 59.5561 32.0695 178.7829 46 A 3.9885 7.8971 120.7878 55.2292 18.2365 179.2896 47 M 3.9536 8.3757 117.0794 58.9851 32.3339 178.1762 48 D 4.3485 8.6248 119.2205 57.2775 40.9954 178.7632 49 A 3.9685 7.8471 121.0577 55.1399 18.4621 179.9165 50 R 3.7887 7.9411 116.6138 59.4695 30.0480 179.0903 51 N 4.3037 8.3552 116.1238 56.1800 38.4397 177.2323 52 A 3.9647 8.1477 122.2784 55.1236 18.3608 179.6258 53 K 3.8241 7.9397 117.8811 59.5803 32.2590 179.3259 54 R 3.6031 7.6981 118.2192 59.1020 29.9343 179.1001 55 I 3.7587 8.0217 119.6211 64.3240 37.1358 178.3894 56 A 3.9438 8.2069 121.8753 55.1976 18.1510 179.1878 57 N 4.1663 8.4044 115.7357 56.7272 38.9096 176.9725 58 A 4.5255 7.8976 123.5546 54.4324 18.2276 179.5629 59 K 3.9108 7.8475 117.5846 59.7157 32.4094 178.9681 60 S 4.2864 8.0413 113.6407 61.0678 63.1742 175.9146 61 S 4.3991 8.2983 116.9483 58.4984 63.4205 175.4607 62 G 4.0300 8.7978 110.2876 44.8517 0.0000 172.8410 63 N 5.0474 7.9226 116.5584 51.1655 41.8567 173.1142 64 F 4.5902 8.8231 124.4102 56.9820 40.3463 174.9295 65 V 4.4636 7.3777 126.9916 60.9069 33.8999 174.8477 66 F 4.2742 9.2581 129.6294 61.1595 39.6781 175.5782 67 D 4.6054 7.9674 121.6421 52.3148 39.1945 173.9804 68 V 4.2353 6.9671 119.4395 59.6072 33.4774 176.7904 69 K 3.9154 8.3860 124.7937 57.0931 32.0861 174.0158 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 Y 8.13 4.93 0.00 2.64 2.90 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 2 D 8.37 4.29 0.00 2.78 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 3 G 8.65 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.58 4.31 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 5 N 7.93 4.74 0.00 2.66 3.01 0.00 0.00 7.01 7.65 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 6 C 8.38 5.03 0.00 3.02 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.42 4.01 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.46 7.81 8 E 7.71 4.73 0.00 1.99 1.84 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 2.32 2.30 0.00 9 P 0.00 4.36 0.00 2.05 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 10 G 9.18 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.37 4.88 0.00 2.72 2.81 0.00 0.00 6.99 7.21 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 12 C 8.49 5.08 0.00 3.08 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 13 W 7.60 4.37 0.00 3.30 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 14 E 5.90 3.83 0.00 1.36 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 2.01 2.32 0.00 15 N 7.22 3.75 0.00 2.97 2.81 0.00 0.00 6.14 7.13 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 16 K 8.13 4.18 0.00 1.65 1.79 0.00 1.35 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.29 7.81 17 P 0.00 4.36 0.00 2.22 2.12 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 18 G 9.25 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 19 Y 7.70 4.80 0.00 3.12 2.96 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 0.00 0.00 0.00 20 P 0.00 4.65 0.00 2.55 2.16 0.00 4.16 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 21 E 8.80 4.38 0.00 2.07 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 0.00 2.51 2.38 0.00 22 K 7.84 4.70 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.45 7.81 23 I 8.37 4.08 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 1.03 0.00 0.00 24 A 7.87 4.24 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 25 G 9.68 3.93 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 0.00 0.00 0.00 26 S 7.79 4.59 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 27 K 8.20 4.09 0.00 1.64 1.76 0.00 1.25 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.81 0.31 7.81 28 Y 7.49 4.78 0.00 3.09 2.96 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 0.00 0.00 0.00 29 D 7.86 4.49 0.00 2.90 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 30 P 0.00 4.24 0.00 1.61 2.05 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 31 K 8.18 3.79 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.55 7.81 32 H 7.82 4.33 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.56 4.63 0.00 2.80 2.56 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 0.00 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 35 V 8.01 3.58 2.37 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 0.83 0.00 0.00 0.97 0.00 0.00 36 E 8.08 4.11 0.00 2.17 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 2.56 2.35 0.00 37 L 7.89 3.99 0.00 1.76 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.13 4.67 0.00 2.78 2.83 0.00 0.00 6.99 7.14 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 39 K 7.93 4.00 0.00 1.91 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.79 7.81 40 Q 7.99 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 E 8.10 3.92 0.00 2.02 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 2.37 2.40 0.00 42 E 8.12 3.96 0.00 2.20 1.98 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 2.52 2.46 0.00 43 S 8.20 4.09 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.70 2.00 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 1.41 0.52 0.91 0.00 0.00 45 K 8.20 3.87 0.00 1.92 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.90 3.99 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 47 M 8.38 3.95 0.00 2.21 2.13 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 2.60 0.00 48 D 8.62 4.35 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.94 3.79 0.00 1.98 1.84 0.00 3.04 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 51 N 8.36 4.30 0.00 2.87 2.90 0.00 0.00 6.93 7.13 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 52 A 8.15 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 3.82 0.00 1.80 1.88 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 54 R 7.70 3.60 0.00 2.01 1.53 0.00 3.00 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 55 I 8.02 3.76 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.86 0.95 0.00 0.00 56 A 8.21 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.17 0.00 2.67 2.71 0.00 0.00 7.15 7.96 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 58 A 7.90 4.53 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 59 K 7.85 3.91 0.00 1.88 2.02 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 S 8.04 4.29 0.00 4.06 3.96 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 0.00 0.00 0.00 61 S 8.30 4.40 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 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 0.00 0.00 0.00 63 N 7.92 5.05 0.00 2.80 2.71 0.00 0.00 6.48 7.46 0.00 0.00 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 F 8.82 4.59 0.00 3.06 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 65 V 7.38 4.46 1.95 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 0.91 0.00 0.00 0.91 0.00 0.00 66 F 9.26 4.27 0.00 3.25 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 67 D 7.97 4.61 0.00 2.77 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 68 V 6.97 4.24 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 0.52 0.00 0.00 0.83 0.00 0.00 69 K 8.39 3.92 0.00 1.62 1.60 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.24 7.81