NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2602 8.3645 123.5823 52.4832 19.7800 176.5791 1 N 4.4479 8.4987 112.4344 51.6748 38.1783 168.8885 2 Q 4.2205 8.2537 120.6690 57.0610 30.4303 174.8466 3 A 4.6182 8.5801 129.1536 51.5870 20.5336 176.1204 4 S 5.0968 8.9424 117.1142 56.2564 67.1700 173.3955 5 V 4.2221 8.3899 121.4719 62.8831 32.3082 174.9530 6 V 4.8544 8.7109 127.3996 60.5340 34.9948 174.4296 7 A 4.4425 8.8417 129.7862 52.5707 18.9061 177.2991 8 N 4.8086 9.2720 121.4385 53.9466 39.6224 174.0173 9 Q 4.5989 7.4814 113.9083 55.6149 31.7285 173.4234 10 L 4.2517 8.4623 122.3702 55.2442 42.9571 175.9517 11 I 4.4261 8.8837 128.6192 58.9721 38.6580 173.7972 12 P 4.6992 0.0000 0.0000 62.0316 32.8537 175.7982 13 I 3.9878 8.1517 121.0302 62.4934 38.3676 175.6344 14 N 4.4698 8.4366 123.2444 53.6497 36.9733 174.6959 15 V 4.0945 7.4205 118.1874 61.1078 33.3562 175.0463 16 A 4.8270 8.3876 124.5941 51.0264 19.5315 177.3397 17 L 4.1371 8.8494 123.8489 55.6567 42.9081 176.7496 18 T 4.9902 8.3297 112.1984 59.4197 71.8719 174.9703 19 L 4.0434 8.5852 121.5344 57.5895 41.8671 180.2443 20 V 3.7047 7.1352 118.0189 64.4933 31.6685 177.2902 21 M 4.1904 8.1961 119.6942 56.7491 32.1757 175.1832 22 M 5.1941 7.6321 118.2539 53.4555 34.4409 175.5782 23 R 4.6326 8.8672 120.7448 54.4839 33.2484 174.4482 24 S 5.1844 8.3924 113.1382 56.6513 64.5065 172.8240 25 E 4.6985 9.0812 125.1511 55.0003 34.5441 175.0139 26 V 4.2014 8.4211 122.9562 62.4693 31.1117 175.4283 27 V 4.6013 8.2235 120.0060 59.2985 35.1295 175.4189 28 T 4.6533 8.0448 110.9665 58.9036 71.1840 172.2694 29 P 4.4582 0.0000 0.0000 62.2612 32.2132 175.9971 30 V 3.8796 8.1784 119.2732 62.8193 32.8585 175.8847 31 G 4.2894 8.2715 114.5391 45.7509 0.0000 173.3867 32 I 3.9394 8.7611 125.3995 60.7443 38.3566 174.1806 33 P 4.6375 0.0000 0.0000 62.4549 31.9668 177.5377 34 A 4.0517 8.9922 126.1219 55.0242 18.0196 179.8083 35 E 3.9477 8.2545 115.1542 59.6177 29.8401 178.2234 36 D 4.6415 8.1737 117.9439 54.9255 40.9399 177.9655 37 I 3.6990 7.9242 122.0682 63.8729 37.2598 175.9058 38 P 4.2254 0.0000 0.0000 65.7223 31.1958 177.8506 39 R 4.4846 7.7734 111.1598 56.1676 29.6175 176.8708 40 L 4.5839 7.6023 119.8313 55.4912 43.3656 177.0686 41 V 3.9725 6.9924 117.5107 64.4434 31.6903 176.3677 42 S 4.2709 8.9226 122.1423 58.7154 61.8513 169.4675 43 M 4.4817 7.8153 120.4287 54.9425 33.4792 175.5875 44 Q 5.3371 8.4334 119.6545 54.0559 31.7878 175.0728 45 V 4.6833 8.1764 114.0793 60.2337 34.3111 176.0810 46 N 5.0820 8.7030 120.0494 52.5226 38.4396 173.9407 47 R 4.9195 7.4966 113.8129 55.2769 32.3590 174.1463 48 A 4.2744 8.5664 122.1787 51.9975 19.3843 177.2168 49 V 4.2103 8.9649 123.1110 60.2465 33.5764 173.3490 50 P 4.6134 0.0000 0.0000 62.1088 32.6539 175.9730 51 L 3.9858 8.4484 123.7632 57.1382 42.2093 177.6568 52 G 3.9544 9.0472 114.0086 45.5212 0.0000 173.2803 53 T 4.2873 7.6621 117.5559 63.0468 69.7742 174.5126 54 T 4.3703 8.4455 122.9827 63.6127 69.6183 173.8572 55 L 4.3502 8.8519 126.5835 54.2724 43.0144 176.2558 56 M 4.7093 8.3876 123.2148 52.8482 34.5402 175.2066 57 P 3.9464 0.0000 0.0000 65.8138 31.5795 178.2639 58 D 4.6111 8.0199 114.8481 55.1588 39.7207 176.5883 59 M 4.7647 8.1349 119.3164 55.2511 32.7958 175.6161 60 V 4.6337 7.3525 119.3673 60.4426 33.1401 174.9072 61 K 4.0563 8.9270 128.1966 57.6618 32.1249 177.7056 62 G 3.9440 8.9797 111.8726 45.5367 0.0000 172.4475 63 Y 4.2587 7.6305 121.3120 56.7973 39.4352 174.3805 64 A 4.5558 7.2942 128.1275 50.3969 22.5235 175.5361 65 A 4.0797 7.6414 121.1153 51.4821 18.4553 177.6978 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 0 A 8.36 4.26 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 1 N 8.50 4.45 0.00 2.83 2.72 0.00 0.00 6.50 6.57 0.00 0.00 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 Q 8.25 4.22 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 3 A 8.58 4.62 1.24 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 0.00 0.00 4 S 8.94 5.10 0.00 3.71 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 5 V 8.39 4.22 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 0.95 0.00 0.00 0.92 0.00 0.00 6 V 8.71 4.85 2.07 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 1.04 0.00 0.00 0.92 0.00 0.00 7 A 8.84 4.44 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 8 N 9.27 4.81 0.00 2.68 3.03 0.00 0.00 7.06 6.94 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 9 Q 7.48 4.60 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 L 8.46 4.25 0.00 1.66 1.62 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.88 4.43 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.90 0.00 0.00 12 P 0.00 4.70 0.00 2.11 2.17 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 13 I 8.15 3.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.91 0.00 0.00 14 N 8.44 4.47 0.00 2.91 2.95 0.00 0.00 7.02 7.49 0.00 0.00 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 V 7.42 4.09 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 0.74 0.00 0.00 0.93 0.00 0.00 16 A 8.39 4.83 1.25 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 0.00 0.00 0.00 17 L 8.85 4.14 0.00 1.81 1.62 0.91 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 18 T 8.33 4.99 4.24 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 1.21 0.00 0.00 19 L 8.59 4.04 0.00 1.77 1.76 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.14 3.70 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 0.73 0.00 0.00 0.93 0.00 0.00 21 M 8.20 4.19 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 22 M 7.63 5.19 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.87 4.63 0.00 1.85 2.05 0.00 2.70 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 24 S 8.39 5.18 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.70 0.00 1.90 1.75 0.00 0.00 0.00 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 2.25 0.00 26 V 8.42 4.20 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 0.77 0.00 0.00 0.97 0.00 0.00 27 V 8.22 4.60 2.07 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.04 4.65 4.24 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 1.21 0.00 0.00 29 P 0.00 4.46 0.00 2.20 2.10 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 30 V 8.18 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.27 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 0.00 0.00 0.00 0.00 32 I 8.76 3.94 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.80 0.00 0.00 33 P 0.00 4.64 0.00 2.11 2.07 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 34 A 8.99 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.95 0.00 2.15 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 0.00 2.31 2.44 0.00 36 D 8.17 4.64 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.92 3.70 1.94 0.00 0.00 0.86 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 1.26 0.91 0.00 0.00 38 P 0.00 4.23 0.00 2.18 2.15 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 39 R 7.77 4.48 0.00 1.99 2.03 0.00 3.04 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 40 L 7.60 4.58 0.00 1.82 1.73 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.99 3.97 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 0.76 0.00 0.00 1.04 0.00 0.00 42 S 8.92 4.27 0.00 4.09 4.10 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 0.00 0.00 0.00 43 M 7.82 4.48 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 44 Q 8.43 5.34 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 45 V 8.18 4.68 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 0.77 0.00 0.00 1.01 0.00 0.00 46 N 8.70 5.08 0.00 2.83 3.01 0.00 0.00 6.70 7.20 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 47 R 7.50 4.92 0.00 1.79 1.90 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 48 A 8.57 4.27 1.24 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 0.00 0.00 49 V 8.96 4.21 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 50 P 0.00 4.61 0.00 2.10 1.96 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 L 8.45 3.99 0.00 1.57 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.05 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 0.00 0.00 0.00 53 T 7.66 4.29 4.30 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 1.19 0.00 0.00 54 T 8.45 4.37 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 L 8.85 4.35 0.00 1.64 1.48 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.39 4.71 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 57 P 0.00 3.95 0.00 2.24 2.34 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 58 D 8.02 4.61 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.13 4.76 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 60 V 7.35 4.63 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 1.09 0.00 0.00 0.79 0.00 0.00 61 K 8.93 4.06 0.00 1.85 1.76 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 8.98 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.63 4.26 0.00 2.84 2.94 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 0.00 0.00 0.00 0.00 64 A 7.29 4.56 1.07 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 0.00 0.00 65 A 7.64 4.08 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00