NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1256 8.1933 116.7695 58.7909 63.7383 173.5280 2 H 4.5631 8.2115 122.2107 55.6759 28.3529 173.5498 3 Y 4.5777 7.9428 120.3133 57.3652 38.6493 175.4976 4 E 4.1904 8.8487 124.8270 56.5775 30.2400 176.0690 5 E 4.6536 8.5926 119.7563 54.9248 33.4154 175.6142 6 G 3.9412 8.9128 106.0758 43.8165 0.0000 171.2864 7 P 4.1973 0.0000 0.0000 64.2712 31.5004 177.5099 8 G 3.9018 8.8642 109.5730 45.7164 0.0000 173.8273 9 K 4.4208 8.1535 117.5148 56.0561 33.6453 176.1160 10 N 4.8619 7.9255 115.8979 52.3433 37.8120 174.5742 11 I 4.4279 7.0924 110.5076 59.1841 40.4182 173.0098 12 P 4.5368 0.0000 0.0000 62.9391 31.4002 175.7795 13 F 4.9204 6.5544 112.6715 54.8905 40.8203 174.2133 14 S 4.2365 8.7930 117.8150 58.4105 62.6914 174.0814 15 V 4.4687 8.1783 125.4554 61.5210 31.6811 176.4155 16 E 3.9868 8.1111 121.8603 58.6526 29.5919 177.0136 17 N 4.8766 7.9068 117.5911 51.3007 40.9435 174.9716 18 K 3.7091 8.5209 128.6388 59.7034 32.4409 178.7109 19 W 4.5664 8.3477 119.7975 59.0724 29.1376 178.8901 20 R 4.0152 8.1936 117.8464 58.9953 29.5817 178.3997 21 L 3.9237 8.1117 120.2966 58.1968 42.0671 178.5474 22 L 3.9523 7.9806 119.9011 58.2741 41.8838 178.8278 23 A 4.0101 8.2517 120.2989 55.5635 18.3634 179.3214 24 M 3.9905 8.2231 117.1915 59.0712 32.0440 179.0482 25 M 4.1779 8.4994 118.9899 58.6339 32.1010 178.9796 26 T 3.9933 8.0545 115.9507 66.7019 68.6701 176.7648 27 L 4.0383 8.2171 120.9700 58.2904 41.5595 178.4995 28 F 4.0129 8.7175 120.8113 61.9064 39.1195 177.0753 29 F 4.1119 8.8972 117.3334 60.1553 38.9594 178.2232 30 G 3.7222 8.3279 105.8947 47.9805 0.0000 176.0325 31 S 4.3364 8.6775 117.8581 60.7834 62.6746 176.8293 32 G 3.5029 7.4838 109.0397 47.6429 0.0000 175.3174 33 F 4.4146 8.3466 121.8475 60.6394 39.7748 176.8061 34 A 4.5216 8.4380 120.3488 54.3017 18.3711 179.0341 35 A 4.0223 7.7853 119.9357 55.4032 18.4090 177.9722 36 P 4.0873 0.0000 0.0000 65.6925 31.3305 178.8040 37 F 3.8811 7.8021 115.9258 60.6435 38.8794 177.5634 38 F 4.1621 8.4357 116.6939 59.8583 38.5729 178.0920 39 I 3.7847 7.7992 120.1584 64.2317 36.8842 178.2913 40 V 3.5155 7.7702 119.1024 65.9500 31.2133 177.8227 41 R 3.8248 7.9379 118.2962 59.8816 29.6841 177.7845 42 H 4.1734 8.1927 116.4654 59.6158 29.8852 176.9133 43 Q 4.0512 8.1200 119.0057 58.7180 28.6300 178.2450 44 L 4.1499 8.0885 119.1023 56.0480 42.5494 177.9637 45 L 4.7709 7.3332 119.3755 52.9078 40.9058 176.7012 46 K 4.5682 8.1153 116.3694 53.1706 36.3015 177.0649 47 K 3.9513 8.7390 122.9402 57.0397 32.6015 174.0025 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 S 8.19 4.13 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.56 0.00 3.02 3.18 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.94 4.58 0.00 2.94 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 4 E 8.85 4.19 0.00 1.99 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 2.33 2.29 0.00 5 E 8.59 4.65 0.00 1.91 1.81 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 2.21 2.45 0.00 6 G 8.91 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 7 P 0.00 4.20 0.00 2.03 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.86 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 9 K 8.15 4.42 0.00 1.80 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.45 7.81 10 N 7.93 4.86 0.00 2.75 2.83 0.00 0.00 5.85 7.81 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 11 I 7.09 4.43 0.67 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.22 0.68 0.00 0.00 12 P 0.00 4.54 0.00 2.21 2.14 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 13 F 6.55 4.92 0.00 3.04 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 14 S 8.79 4.24 0.00 3.87 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 15 V 8.18 4.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 16 E 8.11 3.99 0.00 1.99 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 2.33 2.38 0.00 17 N 7.91 4.88 0.00 2.76 2.71 0.00 0.00 6.96 6.97 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 18 K 8.52 3.71 0.00 1.53 1.76 0.00 0.97 0.00 0.00 1.09 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.90 0.21 7.81 19 W 8.35 4.57 0.00 3.48 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 20 R 8.19 4.02 0.00 2.06 2.03 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 21 L 8.11 3.92 0.00 1.85 1.75 1.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 3.95 0.00 2.12 1.96 1.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.25 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.22 3.99 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 25 M 8.50 4.18 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 26 T 8.05 3.99 4.62 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 L 8.22 4.04 0.00 1.91 1.75 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.72 4.01 0.00 2.92 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 29 F 8.90 4.11 0.00 3.19 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 30 G 8.33 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 31 S 8.68 4.34 0.00 3.97 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 0.00 32 G 7.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.41 0.00 3.10 3.21 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 34 A 8.44 4.52 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.79 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 1.57 1.81 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 37 F 7.80 3.88 0.00 3.17 2.86 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 38 F 8.44 4.16 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.78 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.92 0.00 0.00 40 V 7.77 3.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.81 0.00 0.00 41 R 7.94 3.82 0.00 1.97 2.07 0.00 3.11 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 42 H 8.19 4.17 0.00 3.27 3.60 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.12 4.05 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 44 L 8.09 4.15 0.00 1.81 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.33 4.77 0.00 1.55 1.62 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.12 4.57 0.00 1.62 1.61 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.40 7.81 47 K 8.74 3.95 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.14 7.81