NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.2928 8.3044 120.3157 53.6098 34.6330 174.2162 6 D 4.0893 7.8302 118.5523 54.3708 38.7068 172.1167 7 R 3.9784 8.3594 123.7948 58.2269 31.2637 177.5907 8 E 3.9960 8.1119 118.5409 59.5756 29.5152 178.7376 9 M 4.0654 8.3163 118.2312 58.6607 32.2506 178.2425 10 I 3.8121 7.7286 119.5732 64.3437 37.2748 178.1859 11 L 4.0653 8.5821 121.3061 58.0844 41.9988 178.7391 12 A 4.0495 8.2515 120.7616 55.3590 18.3338 179.2718 13 D 4.3391 8.5662 117.7014 57.5348 40.9403 178.7837 14 F 4.0751 8.5136 121.1473 61.5827 39.3959 177.2157 15 Q 3.9408 8.5561 117.4750 58.8331 28.2639 178.5507 16 A 3.9669 7.9551 121.0284 55.0607 18.5066 178.6501 17 C 4.1996 7.9088 115.8189 61.0278 31.9019 174.8301 18 T 4.1870 7.5426 109.6889 60.8654 69.3355 175.8551 19 G 3.7591 7.7938 108.7526 45.4838 0.0000 174.0289 20 I 4.0960 7.0723 120.6339 60.2161 35.7422 175.5975 21 E 4.0868 8.4316 125.0781 57.8980 30.1035 177.5146 22 N 4.4978 8.0491 118.0598 53.0625 39.6312 175.0531 23 I 3.7304 8.4088 129.6733 64.5770 37.3432 177.7550 24 D 4.3227 8.0772 118.2916 57.4189 41.1264 178.0002 25 E 3.9299 8.1678 118.3496 59.3162 29.5231 179.0078 26 A 4.0586 8.2148 120.8539 55.3035 18.3932 179.8051 27 I 3.2954 8.0291 118.6592 64.5278 37.1109 178.8048 28 T 3.7151 7.8965 116.6429 66.6069 68.0445 176.6928 29 L 3.8308 7.6781 120.7728 57.6662 41.5378 179.6189 30 L 3.4583 7.2317 118.9070 57.4631 41.3672 179.4168 31 E 3.4381 7.6028 118.7861 59.2073 29.1459 179.2250 32 Q 4.1387 7.7153 116.6273 57.5580 28.8653 176.7010 33 N 4.7808 7.1913 115.6768 52.1432 39.0001 174.1763 34 N 4.2889 8.3504 114.6332 54.7896 37.8566 174.0831 35 W 3.3566 8.2795 111.6967 57.2051 27.6477 175.0665 36 D 4.6460 8.0154 119.0405 52.9182 40.6773 175.9178 37 L 4.0301 8.5982 129.7840 58.3077 42.2085 178.8293 38 V 3.6436 7.9379 118.0751 65.0101 30.9159 178.0564 39 A 3.9755 7.9370 119.5838 54.5782 18.6997 178.8900 40 A 4.2675 8.1475 119.3309 55.3718 18.4519 179.9262 41 I 3.7429 8.0547 118.1879 64.6886 37.0085 178.3506 42 N 4.7961 7.8628 112.3250 53.7361 38.1612 175.9421 43 G 4.0051 7.7186 108.5925 45.2921 0.0000 174.3190 44 V 3.8778 7.8375 124.5447 62.9731 31.4484 175.2843 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 5 M 8.30 4.29 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 6 D 7.83 4.09 0.00 2.92 2.61 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 0.00 0.00 0.00 0.00 7 R 8.36 3.98 0.00 1.50 1.34 0.00 2.37 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.18 0.00 8 E 8.11 4.00 0.00 2.21 2.01 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 2.40 2.43 0.00 9 M 8.32 4.07 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 10 I 7.73 3.81 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 1.17 0.00 0.00 11 L 8.58 4.07 0.00 2.03 2.05 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.25 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.57 4.34 0.00 2.93 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 14 F 8.51 4.08 0.00 3.14 3.24 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 0.00 15 Q 8.56 3.94 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 16 A 7.96 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.20 0.00 2.95 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 18 T 7.54 4.19 3.85 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 0.36 0.00 0.00 19 G 7.79 3.76 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 0.00 0.00 0.00 20 I 7.07 4.10 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 1.01 0.00 0.00 21 E 8.43 4.09 0.00 1.97 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 2.47 2.24 0.00 22 N 8.05 4.50 0.00 2.85 2.74 0.00 0.00 7.23 7.88 0.00 0.00 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 I 8.41 3.73 1.90 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 1.57 0.59 0.96 0.00 0.00 24 D 8.08 4.32 0.00 2.72 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 25 E 8.17 3.93 0.00 2.20 2.01 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 2.41 2.33 0.00 26 A 8.21 4.06 1.50 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 27 I 8.03 3.30 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 0.98 0.00 0.00 28 T 7.90 3.72 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 29 L 7.68 3.83 0.00 1.47 1.50 1.12 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.23 3.46 0.00 0.66 0.20 0.66 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.60 3.44 0.00 1.93 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 2.45 2.10 0.00 32 Q 7.72 4.14 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.27 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 33 N 7.19 4.78 0.00 2.68 2.71 0.00 0.00 6.52 6.80 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 34 N 8.35 4.29 0.00 2.85 2.88 0.00 0.00 7.12 7.94 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 35 W 8.28 3.36 0.00 3.39 3.26 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 0.00 36 D 8.02 4.65 0.00 2.77 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 37 L 8.60 4.03 0.00 1.89 1.74 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.94 3.64 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 0.77 0.00 0.00 0.95 0.00 0.00 39 A 7.94 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.27 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 41 I 8.05 3.74 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.88 0.00 0.00 42 N 7.86 4.80 0.00 2.75 2.85 0.00 0.00 6.93 6.95 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 43 G 7.72 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 0.00 0.00 0.00 44 V 7.84 3.88 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 0.72 0.00 0.00 1.03 0.00 0.00