NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3408 8.1614 122.1425 55.4502 34.7885 174.7844 4 G 3.9162 8.5818 113.3340 45.0154 0.0000 173.2735 5 E 4.0929 9.9927 129.8547 58.8290 30.6411 176.2910 6 E 4.1187 7.7828 116.7375 58.8413 29.5174 177.7217 7 L 4.1588 7.5887 116.7085 55.6022 41.6293 177.2186 8 F 4.8021 8.1481 117.2364 57.1740 39.7159 177.1733 9 T 3.7506 8.1215 111.9014 63.5357 68.9889 173.6857 10 G 4.1823 7.1428 110.0971 43.9643 0.0000 171.0973 11 V 4.0502 8.4305 120.2110 62.7122 32.3000 176.7544 12 V 4.4202 8.5128 128.0510 60.3176 33.9362 173.0638 13 P 4.8762 0.0000 0.0000 62.6768 32.2218 175.7093 14 I 4.7104 8.9033 123.7582 59.4910 40.8761 174.5131 15 L 5.1640 8.5046 124.3537 52.9545 45.1750 175.9743 16 V 4.5472 8.8614 123.2249 61.1174 34.6772 173.9658 17 E 5.1094 8.9833 126.2822 54.5984 32.6802 174.7103 18 L 4.9026 9.1572 126.6191 53.2036 45.7062 174.6647 19 D 5.2154 8.7780 124.6425 52.4848 43.3796 175.4101 20 G 3.4183 8.5587 110.2229 44.2247 0.0000 171.5090 21 D 4.9692 8.2562 120.0674 53.2832 43.6085 174.8596 22 V 4.2633 8.8971 127.2857 61.7506 32.7395 175.0067 23 N 4.3231 10.1095 125.6416 54.2022 36.0910 175.4857 24 G 3.8773 8.1821 107.8211 45.6977 0.0000 174.3896 25 H 4.4973 8.0714 116.9703 55.1724 27.8150 174.2425 26 K 5.0506 8.4632 124.6708 55.9327 33.0740 176.5229 27 F 5.1251 8.7797 118.2247 55.9573 42.0982 173.2095 28 S 5.1613 9.2063 114.7249 56.9411 67.3066 173.4217 29 V 5.1869 8.9436 122.9327 61.3122 34.9931 174.1563 30 S 5.2084 9.3411 123.3145 56.7050 65.8180 173.3038 31 G 4.2741 9.4945 111.5291 44.4090 0.0000 171.5189 32 E 5.0596 8.9895 121.4941 53.9299 34.3366 176.2422 33 G 3.9346 7.4435 107.8348 46.3610 0.0000 171.0343 34 E 5.1240 8.0592 117.8904 55.1926 33.8259 174.7570 35 G 4.4596 9.1436 106.9198 44.7314 0.0000 171.2544 36 D 5.4273 9.4751 123.4905 51.6127 42.2264 175.8416 37 A 4.0918 8.7317 128.6655 55.0018 18.8625 180.0350 38 T 3.6930 7.8618 111.5714 66.0642 68.4468 174.4465 39 Y 4.5883 7.5496 115.3065 56.7082 39.0806 175.6150 40 G 3.9642 7.8219 107.4143 46.2517 0.0000 173.2418 41 K 4.5202 8.1141 121.0684 54.9146 33.8580 175.2843 42 L 5.3569 8.5797 126.5336 53.1166 45.0247 175.7922 43 T 4.6018 8.9149 114.2551 59.9220 70.9990 173.0516 44 L 5.0183 8.4124 125.0129 52.5345 46.3769 175.8277 45 K 4.2392 8.4273 122.4826 54.6055 35.0351 174.6808 46 F 5.2738 8.4800 125.7409 55.7330 41.3359 175.1027 47 I 4.6651 8.8412 123.5758 59.5658 40.8143 174.1854 48 C 5.1000 9.2677 127.7534 59.2287 31.4203 173.2348 49 T 4.4006 8.9543 117.5494 63.0327 69.0294 175.5765 50 T 4.4955 8.0325 111.2798 61.0881 70.4615 173.7323 51 G 4.1905 7.6103 108.0992 44.9246 0.0000 176.3260 52 K 4.3875 8.5894 124.5016 54.3383 33.0508 175.8701 53 L 3.6356 8.2313 125.7788 54.2986 42.1067 174.9438 54 P 4.2799 0.0000 0.0000 63.5618 31.7172 176.0992 55 V 4.3327 6.4490 111.1703 58.6454 35.3160 173.4515 56 P 4.3672 0.0000 0.0000 61.9028 32.2139 177.7320 57 W 4.3080 8.8877 121.7035 59.8167 28.7258 177.1052 58 P 4.4180 0.0000 0.0000 65.5476 30.5228 178.4818 59 T 4.0245 7.5990 107.7317 63.6615 69.0441 175.5906 60 L 4.0630 7.6283 120.6352 54.5374 41.9612 178.2699 61 V 3.6572 7.1143 117.7048 66.4684 31.5137 177.7355 62 T 4.0356 7.7270 107.3340 64.9788 68.7177 176.1858 63 T 4.0295 7.5305 117.5781 66.1527 68.6681 174.3501 64 F 4.8121 7.8223 123.2339 57.8843 38.8996 175.0251 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 3 K 8.16 4.34 0.00 1.70 1.76 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 4 G 8.58 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.99 4.09 0.00 2.04 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 2.42 2.33 0.00 6 E 7.78 4.12 0.00 2.24 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 0.00 2.36 2.31 0.00 7 L 7.59 4.16 0.00 1.47 1.30 0.89 0.61 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 8 F 8.15 4.80 0.00 3.29 3.02 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 9 T 8.12 3.75 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 1.28 0.00 0.00 10 G 7.14 4.18 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 0.00 0.00 0.00 11 V 8.43 4.05 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 0.82 0.00 0.00 0.98 0.00 0.00 12 V 8.51 4.42 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 0.81 0.00 0.00 0.84 0.00 0.00 13 P 0.00 4.88 0.00 1.95 1.94 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 14 I 8.90 4.71 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.96 0.00 0.00 15 L 8.50 5.16 0.00 1.48 1.53 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.86 4.55 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 1.18 0.00 0.00 1.12 0.00 0.00 17 E 8.98 5.11 0.00 1.88 1.85 0.00 0.00 0.00 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 2.24 0.00 18 L 9.16 4.90 0.00 1.93 1.72 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.78 5.22 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.97 0.00 2.58 2.49 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 0.00 0.00 0.00 0.00 22 V 8.90 4.26 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 0.97 0.00 0.00 1.14 0.00 0.00 23 N 10.11 4.32 0.00 2.90 2.87 0.00 0.00 7.44 7.65 0.00 0.00 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 G 8.18 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.07 4.50 0.00 3.41 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.46 5.05 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.63 7.81 27 F 8.78 5.13 0.00 3.03 3.02 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 28 S 9.21 5.16 0.00 3.81 3.77 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 29 V 8.94 5.19 2.45 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 1.39 0.00 0.00 1.34 0.00 0.00 30 S 9.34 5.21 0.00 3.82 3.74 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 31 G 9.49 4.27 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 0.00 32 E 8.99 5.06 0.00 1.75 1.68 0.00 0.00 0.00 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 2.17 0.00 33 G 7.44 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 0.00 0.00 0.00 34 E 8.06 5.12 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 35 G 9.14 4.46 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 0.00 0.00 0.00 36 D 9.48 5.43 0.00 2.76 2.75 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 37 A 8.73 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 3.69 3.35 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 0.71 0.00 0.00 39 Y 7.55 4.59 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 40 G 7.82 3.96 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 0.00 0.00 0.00 41 K 8.11 4.52 0.00 1.98 1.79 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 42 L 8.58 5.36 0.00 1.57 1.59 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.91 4.60 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 1.21 0.00 0.00 44 L 8.41 5.02 0.00 1.31 0.71 1.10 0.67 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 45 K 8.43 4.24 0.00 1.58 1.39 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.22 7.81 46 F 8.48 5.27 0.00 2.63 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 47 I 8.84 4.67 1.92 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 1.10 0.70 0.98 0.00 0.00 48 C 9.27 5.10 0.00 3.29 3.21 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 0.00 49 T 8.95 4.40 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 1.28 0.00 0.00 50 T 8.03 4.50 4.32 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 1.30 0.00 0.00 51 G 7.61 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.59 4.39 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 53 L 8.23 3.64 0.00 0.96 0.91 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.28 0.00 1.96 1.93 0.00 2.86 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.79 0.00 55 V 6.45 4.33 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.39 0.00 0.00 56 P 0.00 4.37 0.00 2.14 1.94 0.00 3.50 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 57 W 8.89 4.31 0.00 3.42 3.29 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 58 P 0.00 4.42 0.00 2.18 2.14 0.00 3.62 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 59 T 7.60 4.02 4.16 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 1.16 0.00 0.00 60 L 7.63 4.06 0.00 1.24 0.44 0.74 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.11 3.66 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 0.93 0.00 0.00 1.08 0.00 0.00 62 T 7.73 4.04 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 1.21 0.00 0.00 63 T 7.53 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 64 F 7.82 4.81 0.00 3.02 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00