NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2636 8.2549 119.7044 56.2323 32.3994 176.4254 7 I 3.7441 7.3441 116.9970 61.1941 37.4417 175.4652 8 K 4.5714 9.3591 120.8516 57.4699 33.4658 176.7323 9 L 4.8941 8.2095 120.6566 53.3317 44.3737 175.5971 10 L 4.8742 9.0039 124.6234 52.4932 45.7435 175.3066 11 L 4.8984 8.3436 119.6474 54.4506 42.1656 175.5843 12 E 4.6877 8.9337 126.0552 54.6269 33.1568 173.9186 13 C 5.5853 8.8958 118.1924 57.8857 31.9388 174.7999 14 T 4.1134 8.6797 115.3303 61.9366 69.4929 172.7973 15 E 5.1615 9.4529 127.0816 54.2767 33.3512 174.3657 16 C 5.7835 9.8469 121.1538 56.4974 30.9817 175.9213 17 K 4.4678 8.3842 122.8537 59.0356 29.8295 176.3461 18 R 3.8810 8.0387 121.3320 57.7928 30.0050 177.1676 19 R 4.6147 7.8202 114.3079 52.3933 29.0941 173.5986 20 N 4.3306 8.1693 116.7074 53.7066 39.3134 173.4224 21 Y 5.3440 7.7882 128.5838 58.0064 38.9501 171.8229 22 A 4.6993 9.2376 127.3100 53.0493 21.8005 176.6792 23 T 3.4612 7.3973 102.2500 58.4477 67.2059 172.8320 24 E 3.8898 9.3163 112.3118 57.2557 27.9588 176.3145 25 K 3.5148 8.3563 122.1746 58.2338 31.2654 177.2216 26 N 4.6166 8.7331 124.6578 54.3158 36.4765 173.8184 27 K 4.2689 7.7443 113.5175 55.5438 30.6994 177.7296 28 R 4.9667 8.7373 131.8520 57.8729 29.4010 176.9021 29 N 4.9042 7.8784 114.2866 54.2760 37.3256 174.0679 30 T 3.9270 7.3162 98.4626 59.3698 72.1246 173.3086 31 P 4.2345 0.0000 0.0000 62.8678 32.5433 176.3709 32 N 4.1735 8.3996 118.0355 53.0277 39.4160 176.1918 33 K 3.9686 8.9925 116.6548 59.0846 32.2197 176.7342 34 L 3.8520 6.9922 117.1924 54.7846 41.4786 177.6917 35 E 5.1753 8.4323 122.2996 55.4071 31.0627 177.6569 36 L 4.1163 8.5005 120.3760 56.0103 40.7380 177.5928 37 R 4.6313 9.3178 126.2154 58.3488 28.8402 173.6889 38 K 4.5698 8.7140 119.9212 56.7527 33.7639 174.6594 39 Y 3.9309 8.6251 117.4684 56.6092 37.3922 165.0201 40 C 4.4630 8.4135 124.4852 59.5658 30.2956 170.9405 41 P 4.7799 0.0000 0.0000 62.1231 32.6566 176.4299 42 W 4.7332 9.0039 114.8011 56.8985 29.0662 175.8570 43 C 4.1801 8.0790 117.6199 60.2301 28.7549 174.9084 44 R 3.5935 8.0610 119.7471 57.3682 29.5031 175.9598 45 K 4.4833 8.3573 112.7003 55.7934 31.5945 174.6883 46 H 4.6267 8.3337 124.6454 55.6882 27.6624 177.9188 47 T 3.0815 7.3215 107.6732 60.9806 68.8256 170.9372 48 V 3.5684 7.1488 119.9580 60.2178 31.1872 175.2406 49 H 4.2923 8.5539 121.0630 51.5191 28.0885 175.7705 50 R 4.3903 8.7664 121.1577 52.4668 30.4474 175.3482 51 E 4.8146 9.5293 119.6147 54.5913 29.4415 180.4925 52 V 3.3251 6.8772 115.4014 60.6870 35.4571 175.9243 53 K 3.4559 8.6107 126.7898 56.9301 30.2321 173.8350 54 I 3.9867 8.1390 124.0591 61.0005 37.9612 175.0799 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 6 R 8.25 4.26 0.00 1.81 2.05 0.00 3.35 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 7 I 7.34 3.74 1.86 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 1.41 0.24 0.90 0.00 0.00 8 K 9.36 4.57 0.00 1.67 1.88 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.41 7.81 9 L 8.21 4.89 0.00 1.44 1.56 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 L 9.00 4.87 0.00 1.51 1.54 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.34 4.90 0.00 1.54 1.61 0.89 0.49 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 12 E 8.93 4.69 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.16 0.00 13 C 8.90 5.59 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.11 4.30 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 1.18 0.00 0.00 15 E 9.45 5.16 0.00 2.06 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 2.23 2.30 0.00 16 C 9.85 5.78 0.00 2.99 2.28 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 17 K 8.38 4.47 0.00 2.00 2.28 0.00 1.69 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.44 7.81 18 R 8.04 3.88 0.00 2.00 2.12 0.00 3.35 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 19 R 7.82 4.61 0.00 1.89 1.95 0.00 3.31 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 20 N 8.17 4.33 0.00 2.88 3.09 0.00 0.00 7.15 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 21 Y 7.79 5.34 0.00 2.96 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 4.70 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.40 3.46 4.19 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 1.23 0.00 0.00 24 E 9.32 3.89 0.00 1.99 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 2.14 2.22 0.00 25 K 8.36 3.51 0.00 1.97 1.14 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 26 N 8.73 4.62 0.00 2.73 3.25 0.00 0.00 7.08 7.61 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 27 K 7.74 4.27 0.00 1.87 1.99 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.26 7.81 28 R 8.74 4.97 0.00 1.86 2.20 0.00 3.25 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 1.38 1.33 0.00 29 N 7.88 4.90 0.00 2.86 2.65 0.00 0.00 7.01 7.05 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 30 T 7.32 3.93 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 31 P 0.00 4.23 0.00 2.19 2.13 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 32 N 8.40 4.17 0.00 2.86 2.38 0.00 0.00 6.78 6.32 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 33 K 8.99 3.97 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.41 7.81 34 L 6.99 3.85 0.00 1.76 1.62 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.43 5.18 0.00 2.39 2.11 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 2.33 2.29 0.00 36 L 8.50 4.12 0.00 1.67 1.52 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.32 4.63 0.00 1.97 2.41 0.00 3.38 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 38 K 8.71 4.57 0.00 1.87 1.51 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.32 7.81 39 Y 8.63 3.93 0.00 2.91 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 40 C 8.41 4.46 0.00 3.13 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.78 0.00 2.48 2.18 0.00 4.28 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.02 0.00 42 W 9.00 4.73 0.00 3.53 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 43 C 8.08 4.18 0.00 3.15 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 44 R 8.06 3.59 0.00 1.87 1.92 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 45 K 8.36 4.48 0.00 1.73 1.76 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.32 7.81 46 H 8.33 4.63 0.00 3.35 3.91 0.00 5.41 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.32 3.08 4.21 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 1.18 0.00 0.00 48 V 7.15 3.57 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 0.89 0.00 0.00 1.01 0.00 0.00 49 H 8.55 4.29 0.00 3.43 3.86 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.77 4.39 0.00 1.99 2.27 0.00 3.15 0.00 0.00 3.12 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.40 0.00 51 E 9.53 4.81 0.00 2.01 2.77 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 2.11 2.16 0.00 52 V 6.88 3.33 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 1.20 0.00 0.00 1.06 0.00 0.00 53 K 8.61 3.46 0.00 1.97 2.06 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.35 7.81 54 I 8.14 3.99 1.85 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 1.25 0.86 0.89 0.00 0.00