NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.6475 8.4393 118.1667 56.9073 40.0652 173.2609 9 S 4.3071 7.9312 115.7427 55.9313 64.7973 171.6453 10 Q 4.0474 9.1956 122.4388 57.5797 30.2947 176.5663 11 N 4.0114 8.8144 120.0508 54.5498 36.1243 173.2789 12 E 5.3243 7.7015 113.7227 54.7051 33.8819 175.0730 13 Y 4.9353 8.5686 118.3379 55.1342 41.9949 174.3843 14 F 4.5816 8.9202 123.6793 57.6599 40.3004 174.3123 15 D 4.7194 7.9117 127.8925 53.4456 41.4066 177.3308 16 S 4.2016 8.8318 122.4840 60.3769 63.5059 175.4850 17 L 4.1159 8.1797 122.3414 57.4137 41.8794 177.4672 18 L 4.3111 7.8732 114.9965 54.3195 42.4893 175.6798 19 H 3.5584 7.6610 115.0109 56.1438 26.9872 173.6504 20 A 4.6498 6.5195 117.3500 50.4726 23.4696 176.7452 21 C 4.7821 8.5542 116.7162 56.3388 42.4478 173.6143 22 I 4.5661 7.8719 124.1259 58.3675 40.2780 173.7066 23 P 4.6305 0.0000 0.0000 62.9381 32.0653 178.3849 24 C 4.5568 8.5525 119.6844 59.8447 38.2321 176.5285 25 Q 4.0563 8.0940 118.9070 59.0808 27.9475 178.3952 26 L 4.1841 7.6106 119.0468 56.8286 41.6901 178.3952 27 R 4.5112 7.6889 115.2118 56.0924 30.7073 177.2727 28 C 4.4509 7.7743 116.0850 59.6442 41.2775 175.0584 29 S 4.4105 7.8394 113.5158 56.9873 61.5861 176.0506 30 S 4.3968 7.8567 116.2185 58.6647 65.8591 176.6821 31 N 3.8457 8.1815 126.7436 54.5847 37.9364 177.9952 32 T 4.3806 8.4877 127.8346 62.0353 68.9242 172.3270 33 P 4.4158 0.0000 0.0000 61.0381 32.4604 174.6853 34 P 4.3169 0.0000 0.0000 62.2685 31.6284 177.6692 35 L 3.9902 8.4388 122.0730 58.5583 42.3205 179.5115 36 T 3.9322 7.9108 114.2255 66.7426 68.6933 176.5909 37 C 4.5230 8.0624 117.6458 58.9945 40.0005 175.8844 38 Q 3.9312 7.5605 119.1741 58.8218 28.3564 178.6844 39 R 4.0801 7.9247 118.7232 59.4824 30.0793 178.1106 40 Y 4.0831 8.0840 117.4522 60.9665 38.8508 178.3124 41 C 4.4745 8.2484 115.5307 59.1003 40.4746 174.5891 42 N 4.5044 7.7445 117.9627 55.0234 38.6333 174.8254 43 A 4.1282 7.6174 127.6602 52.5110 18.6679 177.1860 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 8 C 8.44 4.65 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 9 S 7.93 4.31 0.00 3.99 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 10 Q 9.20 4.05 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 N 8.81 4.01 0.00 2.79 2.23 0.00 0.00 6.87 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 12 E 7.70 5.32 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 13 Y 8.57 4.94 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.58 0.00 3.04 3.07 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 15 D 7.91 4.72 0.00 2.15 2.14 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 S 8.83 4.20 0.00 3.94 3.93 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 17 L 8.18 4.12 0.00 1.60 1.88 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.87 4.31 0.00 1.48 1.58 0.88 1.08 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 19 H 7.66 3.56 0.00 3.21 3.40 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 6.52 4.65 1.09 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 0.00 0.00 21 C 8.55 4.78 0.00 2.83 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 22 I 7.87 4.57 0.99 0.00 0.00 0.51 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 0.41 0.93 0.00 0.00 23 P 0.00 4.63 0.00 2.17 1.95 0.00 3.55 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 24 C 8.55 4.56 0.00 2.25 2.97 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 0.00 0.00 0.00 25 Q 8.09 4.06 0.00 2.42 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 26 L 7.61 4.18 0.00 1.92 1.84 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.69 4.51 0.00 1.78 1.80 0.00 3.34 0.00 0.00 3.30 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 0.00 28 C 7.77 4.45 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.41 0.00 3.83 3.83 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 30 S 7.86 4.40 0.00 3.85 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 31 N 8.18 3.85 0.00 2.80 1.88 0.00 0.00 7.06 7.54 0.00 0.00 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 T 8.49 4.38 4.21 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 1.19 0.00 0.00 33 P 0.00 4.42 0.00 1.98 2.07 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 34 P 0.00 4.32 0.00 1.88 1.73 0.00 3.23 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.39 0.00 35 L 8.44 3.99 0.00 1.71 1.66 0.92 0.76 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 36 T 7.91 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 C 8.06 4.52 0.00 3.06 3.13 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 0.00 0.00 0.00 38 Q 7.56 3.93 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 39 R 7.92 4.08 0.00 1.90 2.02 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 40 Y 8.08 4.08 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 4.47 0.00 3.04 3.15 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 0.00 0.00 0.00 0.00 42 N 7.74 4.50 0.00 2.62 2.77 0.00 0.00 6.94 7.72 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 43 A 7.62 4.13 1.20 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 0.00 0.00