NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4978 8.3049 120.3496 54.6077 34.2850 175.2913 2 K 4.3701 8.0009 117.3132 54.3227 34.0179 174.4921 3 K 4.7915 8.9534 122.1424 56.2253 35.1060 175.0124 4 Y 4.8961 8.8538 118.7599 56.5118 42.3004 174.3683 5 T 5.1030 8.7500 117.3766 60.1324 70.8889 172.5865 6 C 3.4227 8.7753 129.4481 59.0740 31.8554 174.5474 7 T 3.9434 8.3052 117.2020 63.8374 69.0620 176.3221 8 V 3.7452 7.7653 121.9651 65.2697 31.6641 176.0983 9 C 4.6688 8.0550 109.8631 57.1779 30.8502 174.6184 10 G 3.9022 8.4046 109.0641 44.7472 0.0000 173.0527 11 Y 4.1938 7.8874 121.3069 58.3758 39.8766 174.7981 12 I 4.7451 7.5760 126.6588 59.6817 39.2349 174.4196 13 Y 4.3405 9.6219 130.1303 57.0754 40.1431 173.4862 14 N 4.8318 8.0739 126.3427 51.0323 40.1563 173.5261 15 P 4.1442 0.0000 0.0000 65.7205 31.6361 178.5027 16 E 3.9305 8.0394 117.4579 58.7325 29.5750 177.3956 17 D 4.5108 7.9761 117.0289 53.7197 42.3434 178.3871 18 G 4.0931 7.5933 107.6278 45.7953 0.0000 174.0820 19 D 4.9714 8.5643 111.5931 52.2240 41.8959 174.9790 20 P 4.4656 0.0000 0.0000 65.5029 32.0928 179.2722 21 D 4.5100 8.2187 117.5206 56.3290 40.9020 176.4987 22 N 4.8842 8.5312 115.3529 52.9345 38.9138 175.3946 23 G 3.8226 8.2696 105.5680 45.2485 0.0000 174.0547 24 V 4.0614 7.4793 119.8888 60.6564 31.3762 175.0055 25 N 4.7785 8.3534 125.0770 52.0843 39.2155 173.1975 26 P 4.1276 0.0000 0.0000 64.6773 31.7492 176.9899 27 G 3.9195 9.0370 110.8150 45.5589 0.0000 173.1957 28 T 4.2087 7.2798 116.3070 62.1940 69.1475 174.4314 29 D 4.5573 8.5453 126.4132 53.8732 42.3700 176.6007 30 F 3.4762 9.0198 128.0246 60.8955 39.4106 177.2570 31 K 3.8968 7.6319 117.6421 59.0884 32.3853 177.2757 32 D 4.5064 7.6815 117.9607 54.3264 41.3207 176.8540 33 I 3.4362 6.6171 121.1121 60.0087 37.6441 174.2290 34 P 4.1197 0.0000 0.0000 63.3796 31.5117 176.7364 35 D 4.5237 8.6312 121.0888 55.5267 40.7751 176.4053 36 D 4.6955 7.7581 117.9255 52.7835 40.1930 176.4174 37 W 4.3029 8.0585 130.9620 57.8387 31.2018 175.4093 38 V 4.2924 7.1931 117.8869 58.7236 35.1054 174.8649 39 C 3.5669 8.6489 122.9885 59.4090 31.5438 173.0620 40 P 4.0708 0.0000 0.0000 65.0498 31.3460 177.3041 41 L 4.3214 7.5657 116.5726 56.3681 42.3966 177.1882 42 C 4.3265 7.9350 109.6760 57.5593 30.6093 174.5705 43 G 3.7695 8.0917 108.6518 45.4948 0.0000 174.0493 44 G 3.7689 7.6417 108.5701 44.5322 0.0000 174.1145 45 G 4.1381 8.3379 108.9933 44.3076 0.0000 174.7571 46 K 4.1884 8.7135 121.4773 59.1215 32.5080 178.7832 47 D 4.6014 8.2764 117.8900 55.8580 39.6924 177.2573 48 Q 4.5346 8.3805 118.4154 56.1370 28.8869 175.0796 49 F 5.3411 8.3821 117.6104 56.6001 40.7665 174.9921 50 E 4.9687 8.9101 117.7528 54.5696 33.3057 174.4826 51 E 3.2228 8.5916 120.6406 56.6132 29.5272 177.8451 52 V 3.6228 8.6458 117.3963 64.4651 32.1593 176.1615 53 E 3.9792 7.0630 123.8722 55.1512 29.8019 176.2431 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 M 8.30 4.50 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 2 K 8.00 4.37 0.00 1.91 1.62 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.58 7.81 3 K 8.95 4.79 0.00 1.66 1.77 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.44 7.81 4 Y 8.85 4.90 0.00 2.57 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 5 T 8.75 5.10 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 1.22 0.00 0.00 6 C 8.78 3.42 0.00 2.36 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 3.94 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 1.23 0.00 0.00 8 V 7.77 3.75 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 0.81 0.00 0.00 0.91 0.00 0.00 9 C 8.05 4.67 0.00 3.07 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 10 G 8.40 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 11 Y 7.89 4.19 0.00 3.17 2.93 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 12 I 7.58 4.75 1.67 0.00 0.00 0.80 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 0.78 0.83 0.00 0.00 13 Y 9.62 4.34 0.00 3.68 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.83 0.00 2.67 2.47 0.00 0.00 6.92 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 15 P 0.00 4.14 0.00 2.31 2.50 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 16 E 8.04 3.93 0.00 1.91 2.02 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 2.29 2.38 0.00 17 D 7.98 4.51 0.00 2.59 2.71 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 0.00 0.00 0.00 0.00 18 G 7.59 4.09 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 0.00 0.00 0.00 19 D 8.56 4.97 0.00 3.18 2.79 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 0.00 0.00 0.00 0.00 20 P 0.00 4.47 0.00 2.29 2.33 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 21 D 8.22 4.51 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.88 0.00 3.13 2.94 0.00 0.00 7.18 7.17 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 23 G 8.27 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 24 V 7.48 4.06 2.26 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 0.96 0.00 0.00 0.52 0.00 0.00 25 N 8.35 4.78 0.00 2.86 2.72 0.00 0.00 7.05 8.03 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 26 P 0.00 4.13 0.00 2.04 2.16 0.00 3.68 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 2.04 2.26 0.00 27 G 9.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.28 4.21 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 1.08 0.00 0.00 29 D 8.55 4.56 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 3.48 0.00 2.72 2.32 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 0.00 0.00 0.00 0.00 31 K 7.63 3.90 0.00 1.96 1.93 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.36 7.81 32 D 7.68 4.51 0.00 2.70 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 33 I 6.62 3.44 0.95 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.10 -0.10 0.00 0.00 34 P 0.00 4.12 0.00 2.21 1.95 0.00 3.38 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 35 D 8.63 4.52 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.70 0.00 2.77 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 37 W 8.06 4.30 0.00 3.12 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 38 V 7.19 4.29 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 0.68 0.00 0.00 0.65 0.00 0.00 39 C 8.65 3.57 0.00 3.10 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 40 P 0.00 4.07 0.00 1.67 2.01 0.00 2.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.32 0.00 41 L 7.57 4.32 0.00 1.60 1.70 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.94 4.33 0.00 3.03 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 43 G 8.09 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.64 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.34 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.71 4.19 0.00 2.09 1.86 0.00 1.42 0.00 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.20 7.81 47 D 8.28 4.60 0.00 2.98 2.99 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 0.00 0.00 0.00 48 Q 8.38 4.53 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 49 F 8.38 5.34 0.00 3.35 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 50 E 8.91 4.97 0.00 2.03 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 2.19 2.26 0.00 51 E 8.59 3.22 0.00 1.63 1.46 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 0.00 1.78 2.23 0.00 52 V 8.65 3.62 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 0.53 0.00 0.00 0.83 0.00 0.00 53 E 7.06 3.98 0.00 1.80 1.66 0.00 0.00 0.00 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 2.31 0.00