NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4531 8.1627 118.1946 55.1644 33.6915 177.4198 2 K 3.7286 8.0240 120.2609 58.3408 32.2563 173.3684 3 V 3.5551 7.9617 118.2835 66.0231 31.8184 177.1371 4 K 3.9000 8.0586 118.6375 59.7715 32.0269 178.4854 5 Q 4.0000 8.0996 118.1920 59.0274 28.5378 178.8556 6 L 4.0457 8.2928 120.3587 57.5423 41.5474 179.6488 7 V 3.5742 8.2394 118.7824 66.0937 31.4884 177.7463 8 D 4.3484 8.2678 118.6953 57.2529 40.6123 178.8017 9 K 3.9242 8.0355 120.0311 59.4207 32.1558 178.8010 10 V 3.5730 7.9802 118.7533 66.3990 31.4212 177.9495 11 E 4.0117 8.4896 118.2582 59.1785 29.3647 178.9924 12 E 3.9789 8.3668 119.6343 59.2582 29.6616 178.9052 13 L 4.0445 8.1744 119.2016 57.6739 41.5685 179.4113 14 L 3.8237 8.2962 119.4492 57.6501 41.3793 179.3209 15 S 4.3298 8.2734 113.1155 61.6217 62.3163 176.5433 16 K 4.0481 8.0136 120.6611 59.2526 31.7142 178.8161 17 N 4.2167 8.2589 117.5081 56.9939 38.8834 176.3256 18 Y 4.2743 8.0937 118.3603 61.5688 37.9956 178.4099 19 H 4.2633 8.2083 119.0773 59.3112 29.9112 177.3836 20 L 3.9419 7.9755 120.9005 57.5648 41.3330 179.4964 21 V 3.5760 8.2204 118.7180 66.1968 31.4356 177.8041 22 N 4.3317 8.2242 116.0683 56.3823 38.2772 177.3196 23 E 3.9121 8.0979 119.9048 59.3003 29.5212 179.3822 24 V 3.5421 8.0658 118.3905 66.0052 31.1226 177.8046 25 A 3.9677 8.2084 120.5552 55.1446 17.9882 179.5930 26 R 3.8588 7.8640 115.8474 59.6034 30.6275 178.4312 27 L 4.1502 8.2005 119.3295 57.8395 41.7886 179.9894 28 V 3.6828 8.0306 119.1640 64.7226 31.0435 178.5617 29 K 4.0383 7.5579 117.1346 59.0339 31.9335 178.6825 30 L 4.2020 7.5679 117.4368 56.2477 41.7209 177.1491 31 V 3.7622 7.3629 123.1134 63.0446 31.4455 175.3485 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 2.26 2.39 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 2 K 8.02 3.73 0.00 1.97 1.84 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 3 V 7.96 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 4 K 8.06 3.90 0.00 1.86 1.95 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 Q 8.10 4.00 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 L 8.29 4.05 0.00 1.79 1.71 0.92 1.03 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 8.24 3.57 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 1.12 0.00 0.00 1.01 0.00 0.00 8 D 8.27 4.35 0.00 2.93 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 8.04 3.92 0.00 1.88 1.96 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 10 V 7.98 3.57 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 0.98 0.00 0.00 11 E 8.49 4.01 0.00 2.06 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 2.36 2.50 0.00 12 E 8.37 3.98 0.00 2.09 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 2.32 2.50 0.00 13 L 8.17 4.04 0.00 1.86 1.68 0.91 0.47 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 14 L 8.30 3.82 0.00 1.87 1.64 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.27 4.33 0.00 3.97 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 16 K 8.01 4.05 0.00 2.06 1.86 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 N 8.26 4.22 0.00 2.74 2.71 0.00 0.00 7.20 7.37 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 18 Y 8.09 4.27 0.00 3.23 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 19 H 8.21 4.26 0.00 3.25 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.98 3.94 0.00 1.88 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.22 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.03 0.00 0.00 22 N 8.22 4.33 0.00 3.05 2.86 0.00 0.00 7.08 7.53 0.00 0.00 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 8.10 3.91 0.00 2.09 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 0.00 2.22 2.32 0.00 24 V 8.07 3.54 2.19 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 1.08 0.00 0.00 0.98 0.00 0.00 25 A 8.21 3.97 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 26 R 7.86 3.86 0.00 1.82 2.11 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 27 L 8.20 4.15 0.00 1.80 1.70 0.94 0.92 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 V 8.03 3.68 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 0.88 0.00 0.00 0.93 0.00 0.00 29 K 7.56 4.04 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.73 7.81 30 L 7.57 4.20 0.00 1.82 1.72 0.92 0.82 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 31 V 7.36 3.76 2.19 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 0.71 0.00 0.00 0.99 0.00 0.00