NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4474 8.1633 120.3485 55.5196 34.5320 177.5273 2 K 3.9444 8.0258 117.9958 58.6711 31.9843 174.0688 3 V 3.6016 7.9107 118.2881 65.7956 31.8792 177.5000 4 K 3.9187 7.9903 118.9495 59.6218 32.1082 178.6192 5 Q 3.9928 8.1256 118.3653 58.9797 28.5125 178.8589 6 L 4.0376 8.0718 120.0617 57.5129 41.5880 179.5866 7 V 3.5675 8.0520 118.5064 66.1447 31.4769 177.7247 8 D 4.3438 8.2649 118.6995 57.3633 40.6762 178.8257 9 K 3.9458 8.1142 120.0753 59.3474 32.0907 179.0550 10 V 3.5915 8.1023 118.8649 66.1292 31.5112 177.8831 11 E 3.9387 8.4773 118.6394 59.2865 29.2357 179.0160 12 E 3.9437 8.3644 119.4079 59.3317 29.6730 178.9182 13 L 4.0429 8.0221 119.0294 57.6999 41.6297 179.5053 14 L 4.0332 8.2625 119.2782 57.8987 41.5774 179.6938 15 S 4.2171 8.1960 115.0591 61.5220 62.8836 176.9103 16 K 4.0337 8.0887 121.1113 59.6951 31.8553 179.2200 17 N 4.4064 8.6002 117.1135 56.3599 38.4383 176.8456 18 Y 4.0898 8.6030 121.4749 61.0298 38.9114 177.6659 19 H 4.1169 8.4843 119.1325 59.2829 29.8565 177.2825 20 L 3.9126 7.7593 120.4231 57.4930 41.3092 179.5995 21 V 3.4891 7.8099 118.3696 65.9897 31.3639 177.7416 22 N 4.1260 7.8014 116.2006 56.3351 38.2269 177.2448 23 E 3.8513 7.9364 119.8610 59.3219 29.4614 179.5444 24 V 3.5064 7.9713 118.2640 65.8258 31.0373 177.8530 25 A 3.9284 8.1622 120.7706 55.0814 17.9933 179.5420 26 R 3.8118 7.9022 116.1042 59.7119 30.5406 178.4991 27 L 4.1435 8.1574 119.2616 57.6863 41.7020 179.8916 28 V 3.6769 8.1457 119.4761 64.6310 31.0635 178.4138 29 K 4.1205 7.6038 116.9248 58.3520 31.9360 178.3134 30 L 4.3142 7.6067 117.9395 55.6235 41.9709 176.7582 31 V 3.7602 7.3920 123.2145 63.0248 31.4543 175.3593 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 8.16 4.45 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 K 8.03 3.94 0.00 1.88 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 3 V 7.91 3.60 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 1.11 0.00 0.00 0.93 0.00 0.00 4 K 7.99 3.92 0.00 1.90 1.95 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.13 3.99 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 6 L 8.07 4.04 0.00 1.85 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.05 3.57 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 1.12 0.00 0.00 0.99 0.00 0.00 8 D 8.26 4.34 0.00 2.89 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 9 K 8.11 3.95 0.00 1.88 1.96 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 V 8.10 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 11 E 8.48 3.94 0.00 2.03 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 2.31 2.41 0.00 12 E 8.36 3.94 0.00 2.04 2.10 0.00 0.00 0.00 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 2.35 0.00 13 L 8.02 4.04 0.00 2.00 1.72 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.26 4.03 0.00 1.94 1.72 0.91 1.20 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 15 S 8.20 4.22 0.00 4.03 3.95 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 16 K 8.09 4.03 0.00 2.03 1.89 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.68 7.81 17 N 8.60 4.41 0.00 2.93 2.90 0.00 0.00 6.71 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 18 Y 8.60 4.09 0.00 3.09 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 19 H 8.48 4.12 0.00 3.35 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.76 3.91 0.00 1.91 1.66 0.93 0.61 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 21 V 7.81 3.49 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 1.04 0.00 0.00 1.00 0.00 0.00 22 N 7.80 4.13 0.00 2.78 2.71 0.00 0.00 7.06 7.58 0.00 0.00 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 E 7.94 3.85 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 24 V 7.97 3.51 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 1.07 0.00 0.00 0.95 0.00 0.00 25 A 8.16 3.93 1.34 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 0.00 0.00 0.00 26 R 7.90 3.81 0.00 1.85 2.10 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 27 L 8.16 4.14 0.00 1.75 1.68 0.93 1.15 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 28 V 8.15 3.68 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 0.81 0.00 0.00 0.92 0.00 0.00 29 K 7.60 4.12 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.71 7.81 30 L 7.61 4.31 0.00 1.77 1.70 0.91 0.66 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 31 V 7.39 3.76 2.21 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 0.70 0.00 0.00 0.92 0.00 0.00