NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2667 8.2993 119.9965 56.6134 34.7386 176.0674 12 Q 3.9025 8.0754 118.3856 53.8953 28.9167 173.9094 13 K 4.5552 8.8338 123.6459 55.0049 35.8862 176.0140 14 A 4.6747 8.0638 121.6992 50.9424 22.4063 175.2765 15 V 4.4557 8.0372 118.4145 61.4047 33.8926 174.9031 16 F 4.8937 8.4336 124.6866 56.9925 41.8218 174.0504 17 G 3.7231 8.1297 116.8090 43.3463 0.0000 171.0912 18 I 4.0170 7.4032 118.0679 58.5403 40.6227 175.6500 19 Y 4.5684 8.0128 119.0197 56.5818 37.2649 175.2498 20 M 4.6638 7.9954 121.3163 52.7440 34.1893 176.1079 21 D 4.5053 8.2586 119.0221 54.4391 41.5582 177.3542 22 K 3.9815 8.3567 121.8341 59.4432 32.3602 178.4175 23 D 4.1990 8.1005 117.6192 57.4727 41.0938 178.4778 24 L 3.8785 7.7693 119.9569 58.1870 42.3339 178.7147 25 K 3.9775 7.8918 119.0365 59.7688 31.9917 178.8400 26 T 3.9919 8.7443 117.0144 66.0100 68.3751 176.7924 27 R 3.8823 8.2806 121.3248 59.5661 30.0680 178.3512 28 L 4.0128 7.8755 119.8432 57.9582 42.0107 178.6822 29 K 3.9474 8.2159 119.8144 59.6472 32.0310 178.9640 30 V 3.6818 8.1278 118.6869 65.8841 31.3355 177.4063 31 Y 4.0887 8.2094 119.6755 60.8760 38.6353 177.7612 32 C 4.0633 8.6569 117.6322 62.1534 28.3180 175.8019 33 A 4.0462 7.8743 122.8999 54.5872 17.8677 179.6064 34 K 3.9630 8.1812 117.8396 59.2852 32.4740 178.0555 35 N 4.5430 7.8121 113.2485 52.1025 38.7623 174.7570 36 N 4.2150 7.2777 115.0218 53.9393 36.9146 174.4465 37 L 4.2614 7.2876 117.0867 54.4290 42.5505 177.0870 38 Q 4.3651 8.2947 118.9249 54.7713 30.6538 176.4086 39 L 3.9565 8.6290 126.6253 58.9396 41.9876 179.5150 40 T 3.8529 7.8992 114.5831 66.8388 68.4363 176.0605 41 Q 4.1248 8.2167 120.6076 59.2765 28.9696 178.3357 42 A 4.0817 8.3635 121.8498 55.1610 18.4184 179.5495 43 I 3.6365 7.9726 118.4936 64.6782 37.1218 178.5197 44 E 3.9096 8.5622 119.6426 59.5198 29.2255 179.3163 45 E 3.9554 8.4963 118.5319 59.1525 29.3484 179.2593 46 A 3.9151 8.3716 121.1929 55.3825 18.6487 179.6722 47 I 3.7706 8.5172 117.3452 63.5400 37.8475 178.0910 48 K 3.9376 8.3199 121.1860 59.6272 32.1474 178.4802 49 E 4.1812 8.4574 117.7713 58.0966 29.3191 178.5551 50 Y 4.1530 7.7428 120.6257 60.5733 38.9741 177.1669 51 L 3.7770 7.7929 119.4166 57.9460 41.4954 179.5693 52 Q 4.0527 7.6461 116.9975 58.3136 28.7897 177.9435 53 K 4.0945 7.7164 119.1076 58.5914 32.3113 176.7097 54 R 4.2072 7.0564 116.6055 55.3588 31.2532 175.2562 55 N 4.0746 8.7641 126.4423 53.6444 41.1128 175.1072 56 G 3.9779 8.3058 112.6492 44.8488 0.0000 173.1926 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 11 K 8.30 4.27 0.00 1.88 2.01 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 12 Q 8.08 3.90 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 13 K 8.83 4.56 0.00 1.86 1.82 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 14 A 8.06 4.67 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 15 V 8.04 4.46 2.12 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 0.85 0.00 0.00 0.95 0.00 0.00 16 F 8.43 4.89 0.00 2.83 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 17 G 8.13 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 18 I 7.40 4.02 1.61 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 -0.10 0.00 0.00 19 Y 8.01 4.57 0.00 2.96 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 20 M 8.00 4.66 0.00 2.10 2.04 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 2.48 2.53 0.00 21 D 8.26 4.51 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.98 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 23 D 8.10 4.20 0.00 2.82 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 24 L 7.77 3.88 0.00 1.71 1.63 0.90 0.29 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 25 K 7.89 3.98 0.00 1.99 1.94 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 26 T 8.74 3.99 4.34 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 1.22 0.00 0.00 27 R 8.28 3.88 0.00 1.93 2.22 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 28 L 7.88 4.01 0.00 1.73 1.87 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.22 3.95 0.00 1.98 1.98 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 30 V 8.13 3.68 2.30 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 1.00 0.00 0.00 1.05 0.00 0.00 31 Y 8.21 4.09 0.00 3.11 3.12 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 0.00 32 C 8.66 4.06 0.00 3.19 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 33 A 7.87 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.96 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 35 N 7.81 4.54 0.00 2.35 2.60 0.00 0.00 6.36 7.64 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 36 N 7.28 4.22 0.00 2.85 2.84 0.00 0.00 6.93 7.71 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 37 L 7.29 4.26 0.00 1.47 1.62 0.84 1.27 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 38 Q 8.29 4.37 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 39 L 8.63 3.96 0.00 1.69 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.90 3.85 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 41 Q 8.22 4.12 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 42 A 8.36 4.08 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.64 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.92 0.00 0.00 44 E 8.56 3.91 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 45 E 8.50 3.96 0.00 2.16 2.03 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 2.64 2.53 0.00 46 A 8.37 3.92 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 47 I 8.52 3.77 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.95 0.00 0.00 48 K 8.32 3.94 0.00 2.02 2.01 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 49 E 8.46 4.18 0.00 2.19 2.00 0.00 0.00 0.00 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 2.32 0.00 50 Y 7.74 4.15 0.00 3.08 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 51 L 7.79 3.78 0.00 1.86 1.66 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.65 4.05 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 53 K 7.72 4.09 0.00 1.88 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 R 7.06 4.21 0.00 1.48 1.46 0.00 3.25 0.00 0.00 2.73 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 55 N 8.76 4.07 0.00 2.73 2.79 0.00 0.00 7.35 6.49 0.00 0.00 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 8.31 3.98 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 0.00