NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4180 8.2893 118.1857 54.7592 33.0969 175.3089 2 K 4.2949 7.4246 117.8910 53.9880 35.6342 172.5300 3 P 4.8977 0.0000 0.0000 63.3317 31.3889 178.3492 4 S 4.1197 8.9108 111.8141 61.1503 62.9567 175.8100 5 E 4.2310 8.1842 113.9455 57.5819 28.5917 177.1397 6 M 4.3220 7.6967 118.8554 57.5673 33.0575 177.6366 7 R 4.2519 7.7641 114.7623 58.4916 30.0342 177.7820 8 N 4.1944 9.2163 117.5557 54.5882 39.3856 173.4528 9 L 4.8557 9.3136 115.2619 52.3602 45.9962 176.0126 10 Q 3.9260 8.6603 117.7625 56.4672 28.7320 177.5887 11 A 3.8201 8.7556 124.2284 55.3784 18.1363 179.5318 12 T 3.8438 7.9969 108.0129 65.3789 68.3241 176.1211 13 D 4.3949 9.9775 121.4512 57.3968 40.6446 178.0626 14 F 4.0472 8.5308 116.2840 60.5618 39.0628 176.7866 15 A 4.1364 8.2703 119.5871 55.5336 18.1054 179.2234 16 K 3.8721 7.8282 116.4124 60.0679 32.4011 178.3452 17 E 4.1183 9.5495 115.6475 58.7998 29.5649 178.0318 18 I 4.0219 8.5521 121.8740 62.5389 37.5274 176.8115 19 D 4.9143 7.9496 124.5133 53.7703 38.8344 177.0529 20 A 4.4991 7.8714 121.9493 54.5929 21.4003 179.1609 21 R 4.0961 8.0818 114.5066 58.6108 30.1225 179.0556 22 K 3.6511 7.9306 117.3865 58.2264 31.9141 177.9899 23 K 4.2110 7.3609 117.6233 57.0534 32.5076 176.3930 24 E 4.3458 7.4911 116.8065 58.7763 31.1343 176.9509 25 L 3.8072 8.7017 121.2956 58.5931 41.9910 178.9190 26 M 3.8828 7.7721 117.7129 58.5461 32.2046 177.8383 27 E 3.5617 7.7970 117.0531 57.8363 29.6170 178.6834 28 L 4.0256 7.8003 121.5600 57.9125 42.3211 178.2609 29 R 4.0784 7.9016 117.0256 57.9968 29.7223 177.7161 30 F 4.5802 7.5221 115.8570 61.0246 39.9571 177.3287 31 Q 4.1787 7.8721 117.4964 59.4814 28.4063 178.3010 32 A 3.9208 9.0914 118.7361 56.0585 17.8072 178.5235 33 A 4.1039 7.0363 115.5127 52.0905 19.2270 178.0504 34 A 4.4400 9.0913 124.5246 52.2623 21.5767 177.0241 35 G 4.2776 8.9721 105.6491 45.9637 0.0000 175.3659 36 Q 3.9631 7.9203 118.7042 57.6238 29.1678 176.3707 37 L 4.9356 8.0435 119.3181 55.1048 42.2817 176.0324 38 A 4.6404 8.5648 126.5803 51.8424 20.2453 176.2751 39 Q 4.4440 7.7538 115.7156 53.9919 27.8640 173.4784 40 P 4.4682 0.0000 0.0000 65.1761 32.4054 178.8894 41 H 4.3276 8.5025 113.6519 58.4648 29.0166 177.1126 42 R 4.1103 7.4787 120.3980 57.9368 29.7779 177.2495 43 V 3.8948 7.5095 116.8365 65.5799 31.2410 177.5259 44 R 3.9321 7.8367 120.0918 59.6147 30.0544 178.0711 45 Q 3.9812 8.7650 119.2226 59.9945 28.5940 178.9660 46 L 4.0210 7.7723 118.8087 57.7481 41.5801 179.6772 47 R 4.0748 7.6678 116.3805 58.1416 30.0948 177.7727 48 R 4.4049 7.3686 116.7840 57.3575 31.3279 176.7948 49 E 4.2052 8.1419 116.8534 57.8308 29.5533 177.5149 50 V 4.1317 7.5059 116.1951 64.5583 33.2760 176.5151 51 A 3.7988 8.0483 120.9519 55.3427 18.1416 179.2957 52 Q 3.9677 7.9916 114.9444 59.0140 28.7158 179.1121 53 L 3.8805 6.9241 115.9767 56.1577 41.1671 175.9467 54 N 4.8589 8.5966 113.4843 55.1661 41.1872 176.7018 55 T 4.0215 8.1132 114.5837 67.4867 68.4414 175.8765 56 V 4.5847 8.0199 119.8475 65.9008 31.1385 177.2287 57 K 3.9764 8.4284 120.2242 59.2623 32.2963 179.1282 58 A 3.9606 8.0652 121.1025 55.3224 18.3462 178.9692 59 E 3.9479 8.3585 117.4182 60.4669 29.4009 179.0607 60 L 3.7095 8.2869 115.1564 58.1615 41.6810 179.2655 61 A 4.0987 7.6355 121.6166 56.0474 18.9118 179.3880 62 R 4.1220 7.6949 115.8314 58.5712 30.3119 177.0065 63 K 4.1171 8.0857 128.0974 59.3289 31.0331 174.8931 64 G 3.4053 9.8109 110.8145 45.6621 0.0000 172.2269 65 E 3.9107 8.8459 127.7943 54.4182 29.6276 174.2887 66 Q 4.7869 7.6693 120.6526 55.8849 29.4043 173.1207 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 8.29 4.42 0.00 2.10 2.24 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 2.45 2.59 0.00 2 K 7.42 4.29 0.00 1.90 1.87 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.49 7.81 3 P 0.00 4.90 0.00 2.31 1.41 0.00 3.43 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 4 S 8.91 4.12 0.00 3.92 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 5 E 8.18 4.23 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 6 M 7.70 4.32 0.00 2.41 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 7 R 7.76 4.25 0.00 1.95 2.27 0.00 2.94 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 8 N 9.22 4.19 0.00 2.84 2.94 0.00 0.00 6.94 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 9 L 9.31 4.86 0.00 1.74 1.69 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.66 3.93 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 11 A 8.76 3.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 3.84 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 1.21 0.00 0.00 13 D 9.98 4.39 0.00 3.04 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 14 F 8.53 4.05 0.00 3.05 3.09 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 15 A 8.27 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.87 0.00 1.77 2.10 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 17 E 9.55 4.12 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 18 I 8.55 4.02 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.97 0.88 0.00 0.00 19 D 7.95 4.91 0.00 2.77 2.74 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 0.00 0.00 0.00 20 A 7.87 4.50 1.29 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 21 R 8.08 4.10 0.00 1.87 1.94 0.00 3.22 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 22 K 7.93 3.65 0.00 1.76 1.82 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 23 K 7.36 4.21 0.00 1.73 1.96 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 24 E 7.49 4.35 0.00 2.00 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 0.00 2.23 2.28 0.00 25 L 8.70 3.81 0.00 1.80 1.78 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.77 3.88 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.14 0.00 27 E 7.80 3.56 0.00 1.91 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 2.20 0.00 28 L 7.80 4.03 0.00 1.88 1.66 0.92 0.69 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 29 R 7.90 4.08 0.00 1.97 2.11 0.00 3.18 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 30 F 7.52 4.58 0.00 3.17 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 31 Q 7.87 4.18 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 32 A 9.09 3.92 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 33 A 7.04 4.10 1.22 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 0.00 0.00 0.00 34 A 9.09 4.44 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.92 3.96 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 37 L 8.04 4.94 0.00 1.78 1.58 0.98 1.07 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 38 A 8.56 4.64 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 39 Q 7.75 4.44 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 40 P 0.00 4.47 0.00 2.22 2.11 0.00 3.72 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 41 H 8.50 4.33 0.00 3.31 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.48 4.11 0.00 1.69 1.87 0.00 3.44 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 43 V 7.51 3.89 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 0.98 0.00 0.00 0.99 0.00 0.00 44 R 7.84 3.93 0.00 1.82 2.00 0.00 3.30 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 45 Q 8.76 3.98 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 46 L 7.77 4.02 0.00 1.83 1.67 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.67 4.07 0.00 1.93 1.99 0.00 3.27 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 48 R 7.37 4.40 0.00 1.88 2.00 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 49 E 8.14 4.21 0.00 2.13 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 2.27 2.29 0.00 50 V 7.51 4.13 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 0.99 0.00 0.00 0.96 0.00 0.00 51 A 8.05 3.80 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.99 3.97 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 53 L 6.92 3.88 0.00 1.72 1.52 0.81 0.30 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 54 N 8.60 4.86 0.00 3.07 2.77 0.00 0.00 7.00 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.11 4.02 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 1.22 0.00 0.00 56 V 8.02 4.58 2.23 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 1.57 0.00 0.00 1.00 0.00 0.00 57 K 8.43 3.98 0.00 2.79 2.07 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 58 A 8.07 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.95 0.00 2.08 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 0.00 2.36 2.77 0.00 60 L 8.29 3.71 0.00 1.56 1.62 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.64 4.10 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 62 R 7.69 4.12 0.00 2.12 1.92 0.00 3.14 0.00 0.00 3.17 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 63 K 8.09 4.12 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.54 7.81 64 G 9.81 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 3.91 0.00 2.11 2.18 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 2.15 2.24 0.00 66 Q 7.67 4.79 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00