NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 L 4.2657 8.1693 122.4905 54.9820 43.5551 176.6552 27 T 4.2367 7.8384 106.2768 59.1169 70.0553 172.7116 28 S 4.5459 8.9876 114.2114 57.4244 67.4361 176.4705 29 N 4.7052 8.2952 118.9513 54.0905 37.6472 176.2343 30 R 3.8390 7.8696 117.9647 59.5077 29.9700 177.9029 31 R 3.8424 8.0278 117.6226 59.6580 29.8881 177.7898 32 L 3.9506 8.0229 117.8803 58.3603 42.0996 178.7112 33 Q 4.1333 8.1042 118.1380 59.0402 28.6943 178.6986 34 Q 4.0456 8.0010 118.1979 59.6541 28.6072 178.6056 35 T 3.8712 8.3257 118.0763 66.4861 67.9073 176.1794 36 Q 4.0457 8.1905 121.0960 58.4859 28.9434 178.0085 37 A 4.0262 7.7413 122.0650 55.1218 18.6146 179.3794 38 Q 3.9541 8.4935 116.3850 58.9521 27.9707 178.3335 39 V 3.7218 7.7374 119.2351 64.8915 31.5161 177.3327 40 D 4.6449 7.5589 117.5862 56.8453 41.1475 178.0953 41 E 3.9018 8.3214 120.1737 59.4351 29.6747 179.1724 42 V 3.6672 7.9818 117.9196 65.6224 31.4814 178.1107 43 V 3.6779 7.2169 118.8039 65.6284 31.2722 177.7500 44 D 4.2864 8.0181 118.7963 57.5230 40.6964 178.4703 45 I 3.7078 7.7508 120.1638 64.9782 37.1245 178.4472 46 M 4.0528 8.0843 119.2349 58.1661 31.7503 178.5343 47 R 3.8484 8.3080 119.3720 59.5183 30.1193 178.5142 48 V 3.5344 8.1169 118.0539 66.2498 31.5079 177.3420 49 N 4.2233 8.4192 116.5085 56.6919 38.4453 177.3476 50 V 3.5628 8.2727 119.5960 65.9594 31.4886 177.4891 51 D 4.2809 7.8251 117.2324 57.5280 41.1797 178.3020 52 K 3.9527 8.3238 119.3414 59.3512 31.9231 179.2289 53 V 3.8850 7.9210 118.9805 63.8988 31.7113 178.4829 54 L 4.0020 7.9543 119.9585 57.3404 41.3645 178.9277 55 E 3.8745 8.5705 119.8246 59.4038 29.5995 178.7218 56 R 3.8484 7.9407 118.7370 59.4326 29.9079 177.8083 57 D 4.3150 8.2425 118.1378 57.5266 41.3887 178.1735 58 Q 3.9410 8.1907 120.0779 59.1655 29.1493 178.2833 59 K 4.0707 8.7501 119.8753 59.1141 32.0124 179.4673 60 L 4.0007 8.5148 120.2111 57.7093 41.6011 179.0642 61 S 4.1578 8.3100 113.3447 61.5001 62.1065 176.3041 62 E 3.8941 8.1065 120.7584 59.4615 29.2539 178.9847 63 L 3.9119 7.8160 120.0571 58.0360 41.9382 178.6720 64 D 4.2675 8.4908 118.4545 57.5724 41.2183 177.9510 65 D 4.3808 8.0587 119.3470 57.3041 40.0967 179.2422 66 R 3.8958 8.3796 118.7337 59.1109 30.1999 178.6176 67 A 4.2716 8.2538 120.9614 55.2292 18.3205 179.0799 68 D 4.2032 8.2634 116.0860 57.6103 41.3441 178.4061 69 A 3.9889 8.2664 121.5741 54.9215 18.2668 179.1192 70 L 3.8705 9.1414 119.2976 58.4377 42.1206 178.8454 71 Q 3.9238 8.6593 119.2883 59.3512 29.0963 177.9783 72 A 4.1398 8.2340 121.7193 55.3012 18.3392 179.8957 73 G 3.5205 8.3406 103.7242 47.9939 0.0000 175.7649 74 A 4.1472 8.3085 124.0544 54.9625 18.3036 179.6930 75 S 4.0495 8.7795 111.8782 61.4403 62.2983 176.4954 76 Q 4.0501 7.9669 120.6021 58.6988 28.4497 178.0802 77 F 4.5046 8.3002 121.7936 61.4069 39.4151 176.5885 78 E 3.6186 8.4990 119.1303 59.6801 29.2540 179.1058 79 T 3.8843 7.6737 115.2421 66.7199 68.4502 177.0633 80 S 4.1325 8.4878 117.1800 61.4958 62.8157 176.4079 81 A 3.8414 8.6010 124.1098 55.0318 17.9807 179.5222 82 A 3.8604 8.0117 119.0327 55.4323 18.6297 180.1556 83 K 4.1200 8.3544 116.7321 58.9685 32.0075 179.8201 84 L 4.1164 8.1326 120.4706 57.7379 41.6924 179.5180 85 K 4.1543 7.9149 118.3107 59.5020 32.0827 179.0126 86 R 4.0067 8.0004 120.6875 59.4916 30.0369 178.6143 87 K 4.2701 8.2135 118.0274 60.3809 32.6689 178.6750 88 Y 3.8852 8.6332 117.5944 59.9292 37.4917 178.0718 89 W 4.0480 8.3093 128.9772 59.5453 30.7523 177.5265 90 W 4.2101 7.2903 117.9335 58.7688 28.9483 178.2307 91 K 4.0077 7.9451 117.5935 59.0651 32.9191 177.9573 92 N 4.5642 7.6663 116.2224 50.1624 37.6658 176.1762 93 L 5.4361 6.6649 135.0000 53.8007 43.6594 172.9344 94 K 4.0387 7.2050 124.2921 57.3179 32.2068 173.9538 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 26 L 8.17 4.27 0.00 1.62 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.84 4.24 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 28 S 8.99 4.55 0.00 3.96 4.07 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 29 N 8.30 4.71 0.00 3.00 3.08 0.00 0.00 6.74 7.66 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 30 R 7.87 3.84 0.00 1.89 1.95 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 31 R 8.03 3.84 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 32 L 8.02 3.95 0.00 1.65 1.90 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.10 4.13 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 34 Q 8.00 4.05 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 35 T 8.33 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 36 Q 8.19 4.05 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 37 A 7.74 4.03 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 38 Q 8.49 3.95 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 39 V 7.74 3.72 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 40 D 7.56 4.64 0.00 2.93 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 41 E 8.32 3.90 0.00 2.01 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 0.00 2.31 2.32 0.00 42 V 7.98 3.67 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 0.94 0.00 0.00 0.97 0.00 0.00 43 V 7.22 3.68 2.27 0.00 0.00 0.00 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 1.03 0.00 0.00 44 D 8.02 4.29 0.00 2.94 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 45 I 7.75 3.71 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.91 0.00 0.00 46 M 8.08 4.05 0.00 2.04 2.27 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 2.62 2.90 0.00 47 R 8.31 3.85 0.00 1.97 2.20 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 48 V 8.12 3.53 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 49 N 8.42 4.22 0.00 2.98 2.88 0.00 0.00 6.74 7.25 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 50 V 8.27 3.56 2.24 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 0.99 0.00 0.00 1.01 0.00 0.00 51 D 7.83 4.28 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.32 3.95 0.00 2.00 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 53 V 7.92 3.89 2.20 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 1.06 0.00 0.00 0.93 0.00 0.00 54 L 7.95 4.00 0.00 1.91 1.75 0.92 0.60 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 55 E 8.57 3.87 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 56 R 7.94 3.85 0.00 2.04 2.09 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 57 D 8.24 4.32 0.00 2.89 2.83 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 0.00 0.00 0.00 58 Q 8.19 3.94 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 59 K 8.75 4.07 0.00 1.99 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 60 L 8.51 4.00 0.00 1.86 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.31 4.16 0.00 3.96 4.02 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 62 E 8.11 3.89 0.00 2.25 1.97 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 2.33 2.45 0.00 63 L 7.82 3.91 0.00 1.87 1.86 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.49 4.27 0.00 2.93 2.78 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 65 D 8.06 4.38 0.00 2.88 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 66 R 8.38 3.90 0.00 1.84 1.97 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 67 A 8.25 4.27 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 68 D 8.26 4.20 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.27 3.99 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 70 L 9.14 3.87 0.00 1.97 1.85 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.66 3.92 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 72 A 8.23 4.14 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 73 G 8.34 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.31 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.78 4.05 0.00 3.86 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.97 4.05 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 77 F 8.30 4.50 0.00 3.05 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 78 E 8.50 3.62 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 79 T 7.67 3.88 4.44 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 1.23 0.00 0.00 80 S 8.49 4.13 0.00 4.13 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 0.00 81 A 8.60 3.84 0.95 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 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.01 3.86 1.40 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 0.00 0.00 83 K 8.35 4.12 0.00 1.94 1.94 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.67 7.81 84 L 8.13 4.12 0.00 1.97 1.63 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.91 4.15 0.00 1.99 2.06 0.00 1.27 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.44 7.81 86 R 8.00 4.01 0.00 2.18 2.27 0.00 3.29 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 87 K 8.21 4.27 0.00 2.17 2.22 0.00 1.42 0.00 0.00 1.79 0.00 0.00 3.32 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.92 1.42 7.81 88 Y 8.63 3.89 0.00 3.26 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 89 W 8.31 4.05 0.00 3.29 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 90 W 7.29 4.21 0.00 3.34 3.28 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 91 K 7.95 4.01 0.00 1.54 1.75 0.00 1.01 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.50 7.81 92 N 7.67 4.56 0.00 2.58 2.65 0.00 0.00 6.99 8.71 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 93 L 6.66 5.44 0.00 1.07 1.09 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.21 4.04 0.00 1.95 1.68 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 1.34 7.81