NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4472 8.3344 115.2900 58.3138 63.1783 172.9522 7 L 4.5252 7.9770 122.3467 53.3963 44.4132 176.9964 8 Q 3.8992 8.7022 120.5248 59.3272 29.9048 177.0792 9 D 4.2101 8.0162 119.3161 57.0864 40.6685 176.6855 10 P 4.4531 0.0000 0.0000 65.7499 30.9847 178.5221 11 F 4.1741 7.9277 118.5437 61.2631 39.3770 177.4603 12 L 3.8157 7.8802 118.6237 57.5168 41.2627 178.8949 13 N 4.5389 8.6488 116.7370 56.5670 38.4971 177.1301 14 A 4.0550 7.6379 120.5570 54.7988 18.7866 179.6476 15 L 3.9045 7.4168 117.1617 57.9534 41.5448 178.7025 16 R 4.2481 8.0424 119.8344 58.1420 29.8029 178.1129 17 R 3.8857 8.4066 119.8676 59.3844 30.4896 177.6140 18 E 4.3384 7.9507 113.2287 55.4177 29.8543 175.9986 19 R 3.7818 8.1486 117.3897 57.0161 28.3428 176.5576 20 V 3.9039 7.4502 116.2647 61.7714 32.7831 174.2163 21 P 4.5639 0.0000 0.0000 63.1265 32.2956 175.5849 22 V 4.8714 9.0766 117.3109 59.6466 35.7489 174.6753 23 S 4.7582 8.9801 120.1946 57.5005 64.8229 173.2480 24 I 4.8882 8.6515 126.3007 59.9574 38.9310 174.2552 25 Y 4.7756 9.0955 126.2149 57.1027 39.5103 175.6620 26 L 5.0213 8.6134 123.6224 53.3083 43.7677 178.3406 27 V 3.7478 8.9645 114.6775 63.8798 31.4990 177.1974 28 N 4.6615 8.0361 115.0725 52.3360 37.8579 175.3147 29 G 4.1252 8.5117 108.1262 45.7372 0.0000 174.4741 30 I 3.6277 7.9989 121.3984 61.7690 37.3984 174.7015 31 K 4.2692 8.3853 126.9792 55.3257 33.3608 175.5785 32 L 4.6872 8.4133 126.7499 53.0717 44.4058 175.5105 33 Q 4.7834 8.9042 123.1712 53.9470 30.6192 176.2786 34 G 3.9115 6.8796 109.1441 46.0062 0.0000 170.7707 35 Q 4.8845 7.7449 116.9696 53.8142 32.8127 175.4663 36 I 4.3190 8.3554 123.4771 61.5318 36.9687 175.3680 37 E 4.2364 9.0860 129.8029 58.6899 30.6130 175.6776 38 S 4.6519 7.7376 111.8827 58.2608 65.9097 174.0891 39 F 5.2439 7.8288 115.2535 56.2681 38.6440 173.2666 40 D 4.7273 8.7144 120.6132 52.3149 41.5917 175.2047 41 Q 4.0378 8.9812 118.1270 59.1322 29.1023 178.4239 42 F 5.1056 7.9807 113.7394 57.2074 41.4479 175.1034 43 V 4.9624 8.4768 113.1162 59.4723 36.1059 174.5273 44 I 4.8861 8.8142 123.5529 59.4991 40.5401 174.6318 45 L 4.7387 8.7477 128.9129 54.0013 43.2890 174.8924 46 L 4.8384 8.7062 130.2053 53.5606 43.8946 174.8981 47 K 4.8664 9.1562 129.2162 54.0017 33.5399 173.3538 48 N 4.9185 8.7066 129.4449 52.6659 39.7916 175.1732 49 T 4.0545 9.1026 110.8440 65.8902 68.6108 173.7162 50 V 4.4705 7.2945 117.9014 59.6422 34.5631 174.4746 51 S 4.6622 8.4200 116.3231 57.7631 61.2661 173.0518 52 Q 4.5059 8.6798 124.0745 54.8750 31.2204 174.4258 53 M 4.7533 8.4204 120.5267 54.2246 33.6201 174.9876 54 V 4.2926 8.9049 127.5250 61.4000 33.8865 174.7435 55 Y 4.4999 8.5268 125.8034 57.4572 38.7677 176.8275 56 K 4.0653 9.4266 125.1726 59.7608 32.3345 178.9253 57 H 4.2832 8.3595 112.4528 57.4721 28.6577 175.5015 58 A 4.5832 7.9169 122.0054 52.1416 19.8508 176.3078 59 I 4.5943 7.6759 118.1454 60.6292 38.1300 175.8238 60 S 4.6648 9.0811 121.2219 60.5296 64.0257 174.7413 61 T 4.7050 7.7960 109.3509 59.5194 72.4186 172.9567 62 V 4.6908 8.5229 123.6695 61.6214 33.0867 174.7955 63 V 4.4615 8.9385 129.9244 60.3446 33.2184 173.2737 64 P 4.6598 0.0000 0.0000 62.8471 31.2668 177.0336 65 S 4.4924 8.7011 119.1125 60.5005 63.6324 174.8194 66 R 4.7169 7.7174 114.3824 52.9834 32.2710 173.1764 67 P 4.2463 0.0000 0.0000 62.5964 31.8729 176.8571 68 V 3.6635 8.2347 121.2820 62.8355 30.8730 176.2769 69 S 4.0523 8.6258 122.5988 59.1054 62.9010 172.6220 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 6 S 8.33 4.45 0.00 3.84 3.84 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 7 L 7.98 4.53 0.00 1.76 1.51 0.91 0.17 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 8 Q 8.70 3.90 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 9 D 8.02 4.21 0.00 2.84 2.90 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 0.00 0.00 0.00 10 P 0.00 4.45 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 11 F 7.93 4.17 0.00 3.12 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 12 L 7.88 3.82 0.00 0.63 1.02 0.45 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.65 4.54 0.00 3.02 2.97 0.00 0.00 6.88 7.96 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 14 A 7.64 4.06 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.42 3.90 0.00 1.68 1.60 0.60 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.04 4.25 0.00 2.17 2.11 0.00 3.30 0.00 0.00 3.27 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 17 R 8.41 3.89 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 18 E 7.95 4.34 0.00 2.06 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 2.27 2.24 0.00 19 R 8.15 3.78 0.00 1.86 2.13 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 20 V 7.45 3.90 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 0.70 0.00 0.00 0.84 0.00 0.00 21 P 0.00 4.56 0.00 2.11 1.96 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 22 V 9.08 4.87 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 0.73 0.00 0.00 0.96 0.00 0.00 23 S 8.98 4.76 0.00 3.94 3.53 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 0.00 0.00 0.00 0.00 24 I 8.65 4.89 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.94 0.00 0.00 25 Y 9.10 4.78 0.00 2.87 2.90 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 0.00 0.00 0.00 26 L 8.61 5.02 0.00 1.81 1.72 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.96 3.75 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 0.73 0.00 0.00 1.01 0.00 0.00 28 N 8.04 4.66 0.00 2.82 2.94 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.51 4.13 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 0.00 0.00 0.00 30 I 8.00 3.63 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.89 0.00 0.00 31 K 8.39 4.27 0.00 0.96 1.46 0.00 1.46 0.00 0.00 0.99 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.13 0.94 7.81 32 L 8.41 4.69 0.00 1.62 1.48 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.90 4.78 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.10 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 34 G 6.88 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.74 4.88 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 36 I 8.36 4.32 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 1.10 0.00 0.00 37 E 9.09 4.24 0.00 1.95 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 2.28 2.28 0.00 38 S 7.74 4.65 0.00 3.84 3.61 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 39 F 7.83 5.24 0.00 3.18 2.95 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 40 D 8.71 4.73 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 4.04 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 42 F 7.98 5.11 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 4.96 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 0.36 0.00 0.00 0.95 0.00 0.00 44 I 8.81 4.89 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 1.00 0.00 0.00 45 L 8.75 4.74 0.00 1.77 1.57 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.71 4.84 0.00 1.81 1.52 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.16 4.87 0.00 1.87 1.66 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 48 N 8.71 4.92 0.00 2.66 1.95 0.00 0.00 7.26 7.19 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 49 T 9.10 4.05 4.23 0.00 0.00 0.00 0.00 0.00 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 50 V 7.29 4.47 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 0.75 0.00 0.00 0.93 0.00 0.00 51 S 8.42 4.66 0.00 3.90 3.84 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 52 Q 8.68 4.51 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 53 M 8.42 4.75 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 54 V 8.90 4.29 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 0.87 0.00 0.00 0.93 0.00 0.00 55 Y 8.53 4.50 0.00 2.95 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.43 4.07 0.00 2.00 1.94 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.54 7.81 57 H 8.36 4.28 0.00 3.28 3.54 0.00 5.51 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 58 A 7.92 4.58 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 59 I 7.68 4.59 2.06 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 1.40 0.80 1.02 0.00 0.00 60 S 9.08 4.66 0.00 3.87 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 61 T 7.80 4.71 4.25 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 0.00 0.00 0.00 1.16 0.00 0.00 62 V 8.52 4.69 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 0.95 0.00 0.00 1.00 0.00 0.00 63 V 8.94 4.46 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 1.08 0.00 0.00 1.05 0.00 0.00 64 P 0.00 4.66 0.00 2.04 1.98 0.00 3.85 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 65 S 8.70 4.49 0.00 3.93 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 66 R 7.72 4.72 0.00 1.88 1.89 0.00 3.04 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 67 P 0.00 4.25 0.00 2.07 2.04 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 68 V 8.23 3.66 2.05 0.00 0.00 0.00 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 0.85 0.00 0.00 69 S 8.63 4.05 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00