NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0714 8.2393 120.8082 55.7244 31.8587 175.9169 2 P 4.1471 0.0000 0.0000 61.8203 32.0238 173.0537 3 D 4.6537 7.9619 115.3788 55.1563 43.3375 179.7246 4 F 4.6049 7.6736 113.6744 59.5485 38.1321 177.3314 5 C 4.9499 7.6859 116.8132 58.1671 40.1809 173.6749 6 L 4.5118 7.5662 118.0040 54.5229 42.6868 176.7046 7 E 4.2984 7.7488 118.7131 54.9427 30.1159 175.0496 8 P 4.3987 0.0000 0.0000 61.4953 32.1793 174.3634 9 P 3.4862 0.0000 0.0000 62.6844 31.3201 175.1832 10 Y 4.5407 7.9929 124.0417 56.0894 39.0783 175.0799 11 T 4.1551 8.3189 125.7644 64.7947 68.9182 176.7253 12 G 3.6446 6.6349 109.7195 43.5070 0.0000 171.1532 13 P 4.3216 0.0000 0.0000 65.1488 31.9744 177.7682 14 C 4.4722 7.8552 116.4002 56.9190 40.7442 173.5779 15 R 4.4388 8.1647 120.4798 56.2210 30.2107 176.5324 16 A 4.1863 7.9119 121.3710 51.7961 20.1626 177.8874 17 R 4.6464 8.1889 118.0169 54.2500 30.0067 172.2652 18 I 4.4237 8.3809 122.3357 58.7948 40.0002 174.7134 19 I 4.1849 8.3849 128.7539 61.2918 37.6839 175.2892 20 R 4.8689 8.2069 126.8547 54.4258 34.2311 173.9238 21 Y 5.7316 8.8903 116.3278 56.8373 41.3741 175.3922 22 F 5.7066 9.7345 117.3069 55.1843 42.1899 173.2189 23 Y 4.4020 9.8976 122.6280 57.5550 39.2489 174.6779 24 N 4.6317 7.9300 127.2648 52.1316 39.1606 175.4075 25 A 3.7966 8.4200 129.9025 53.8461 19.0895 178.2864 26 K 4.0199 8.1063 115.8857 58.5734 31.2133 177.4117 27 A 4.1543 8.0798 120.6142 51.9514 19.2864 178.2514 28 G 3.8982 8.2303 103.0562 45.6577 0.0000 172.8539 29 L 4.5771 6.7190 116.9370 54.3123 44.4949 173.5028 30 C 4.9427 8.6584 117.2572 56.8984 38.7557 173.3990 31 Q 4.8771 8.8130 122.4129 54.1203 32.4691 174.6539 32 T 5.2675 8.5149 110.3271 60.6341 70.8329 173.7219 33 F 4.9346 8.1380 115.9465 56.0552 41.4827 172.9117 34 V 4.2951 8.4808 120.1775 62.1293 32.2297 174.2396 35 Y 4.7052 8.9154 131.1102 55.9946 40.1400 176.0760 36 G 4.0978 8.0619 113.2704 45.6791 0.0000 174.3213 37 G 3.7033 5.8876 108.5152 45.4657 0.0000 172.9347 38 C 4.9633 6.9556 112.8734 54.6623 44.6811 173.6155 39 R 4.0949 8.8563 116.3351 56.8479 27.2201 176.5089 40 A 4.2085 7.4933 119.0895 53.0437 18.7276 178.7838 41 K 4.4132 8.2985 120.2784 54.9198 34.3436 176.8257 42 R 3.6072 8.1218 117.4505 58.9010 30.5552 177.2858 43 N 4.8134 7.8755 118.0330 51.7834 37.6054 175.7756 44 N 5.0787 6.7424 116.7609 52.9325 40.7569 172.8118 45 F 5.0475 9.7197 124.8386 55.7222 41.8077 176.8866 46 K 4.5627 8.7599 121.0133 57.1302 32.8799 177.0075 47 S 4.5949 7.6387 112.9059 55.4831 67.5266 174.5092 48 A 3.2900 7.2367 123.3054 54.9207 17.8993 179.8301 49 E 3.8540 7.7799 116.7800 59.5211 29.5555 179.0851 50 D 4.2919 7.9153 118.8902 57.3633 40.8827 178.0188 51 C 2.5211 7.4923 119.0363 59.4791 38.9990 175.5887 52 M 3.9008 8.1747 120.6063 58.0893 31.2003 178.5987 53 R 3.9283 7.2188 117.9125 58.9078 30.3857 178.3279 54 T 4.1010 7.6072 114.7520 66.4888 68.9096 175.8285 55 C 4.4404 8.1197 116.2112 56.6029 40.9191 174.5801 56 G 3.5296 6.8411 109.6997 47.5509 0.0000 173.4796 57 G 3.7529 9.0271 113.9323 45.9808 0.0000 172.8585 58 A 4.1868 7.3383 127.8916 51.7846 19.0741 177.8361 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 8.24 4.07 0.00 1.67 1.90 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 2 P 0.00 4.15 0.00 1.40 1.83 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.83 0.00 3 D 7.96 4.65 0.00 2.65 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 4 F 7.67 4.60 0.00 3.24 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 5 C 7.69 4.95 0.00 2.98 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 6 L 7.57 4.51 0.00 1.66 1.74 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.75 4.30 0.00 2.16 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 2.38 2.51 0.00 8 P 0.00 4.40 0.00 2.09 1.99 0.00 3.77 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 1.97 1.94 0.00 9 P 0.00 3.49 0.00 1.02 0.49 0.00 3.31 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.00 10 Y 7.99 4.54 0.00 2.84 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 11 T 8.32 4.16 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 12 G 6.63 3.64 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.18 0.00 3.75 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 2.02 0.00 14 C 7.86 4.47 0.00 2.79 2.97 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 15 R 8.16 4.44 0.00 1.74 1.88 0.00 3.17 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 1.55 0.00 16 A 7.91 4.19 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 17 R 8.19 4.65 0.00 1.73 1.75 0.00 3.31 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 1.45 1.54 0.00 18 I 8.38 4.42 2.05 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 1.21 0.75 1.00 0.00 0.00 19 I 8.38 4.18 1.81 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 0.41 0.74 0.00 0.00 20 R 8.21 4.87 0.00 1.00 2.03 0.00 3.39 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 21 Y 8.89 5.73 0.00 3.18 3.01 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 22 F 9.73 5.71 0.00 3.13 3.07 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 23 Y 9.90 4.40 0.00 3.01 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 24 N 7.93 4.63 0.00 2.39 2.48 0.00 0.00 6.69 8.61 0.00 0.00 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 8.42 3.80 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 26 K 8.11 4.02 0.00 1.72 1.94 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 A 8.08 4.15 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 28 G 8.23 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 0.00 0.00 0.00 29 L 6.72 4.58 0.00 1.64 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.94 0.00 2.90 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 Q 8.81 4.88 0.00 1.56 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 32 T 8.51 5.27 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 0.57 0.00 0.00 33 F 8.14 4.93 0.00 3.06 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 34 V 8.48 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.92 4.71 0.00 2.52 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.10 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 0.00 0.00 0.00 37 G 5.89 3.70 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 0.00 0.00 0.00 38 C 6.96 4.96 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 39 R 8.86 4.09 0.00 2.22 2.26 0.00 3.34 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 7.49 4.21 1.10 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 0.00 0.00 41 K 8.30 4.41 0.00 1.75 1.71 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.19 7.81 42 R 8.12 3.61 0.00 1.12 0.66 0.00 2.28 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 43 N 7.88 4.81 0.00 3.11 2.89 0.00 0.00 6.68 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 6.74 5.08 0.00 2.66 2.58 0.00 0.00 7.13 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 9.72 5.05 0.00 3.30 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 46 K 8.76 4.56 0.00 1.82 1.93 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 S 7.64 4.59 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.24 3.29 0.91 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 0.00 0.00 49 E 7.78 3.85 0.00 1.99 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 7.92 4.29 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.49 2.52 0.00 2.82 3.01 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 52 M 8.17 3.90 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 53 R 7.22 3.93 0.00 1.81 2.00 0.00 3.23 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 54 T 7.61 4.10 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 1.64 0.00 0.00 55 C 8.12 4.44 0.00 2.72 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 6.84 3.53 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 0.00 0.00 0.00 57 G 9.03 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 0.00 0.00 0.00 58 A 7.34 4.19 0.98 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 0.00 0.00