NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4813 8.1927 116.8104 58.6428 65.1838 175.2003 21 Y 3.9120 8.4198 120.6433 60.3163 38.8411 176.1220 22 L 4.2752 8.9951 120.7232 57.6390 43.0700 178.6604 23 L 3.9923 7.8908 116.4266 57.5144 41.6594 178.6784 24 K 4.1192 7.5700 116.9777 58.2535 32.2541 177.7279 25 I 3.6981 7.3630 120.3251 61.0285 36.8227 175.4900 26 K 4.0611 7.8709 126.0729 58.8244 33.1074 177.2079 27 E 4.2487 7.6789 117.7810 55.7426 31.9429 177.8398 28 L 3.9417 8.3135 123.6138 58.2960 42.2101 179.4050 29 K 4.0241 8.0115 118.9814 59.2446 32.2478 178.4234 30 E 4.1329 8.1139 118.4349 59.0555 29.8186 178.6424 31 A 4.1424 7.9416 120.2109 54.7748 18.4042 179.8831 32 K 4.0864 8.1330 117.5409 59.4342 32.0348 179.7274 33 K 4.0553 7.8046 117.5218 59.5897 31.9944 179.3248 34 E 4.0303 8.2340 118.5934 59.2887 29.3337 179.2418 35 F 4.2573 8.3339 120.6132 61.1373 39.4625 176.9020 36 E 3.8203 8.4240 119.1222 58.9136 29.4223 178.6766 37 K 3.9034 8.2988 119.8657 59.6861 32.3657 178.8929 38 I 3.6558 7.6494 120.0265 64.1605 36.9987 178.1873 39 F 3.7843 8.2062 121.8588 61.3559 39.1632 177.3314 40 I 3.6949 7.9545 119.4057 64.1908 36.8475 178.0870 41 E 3.8825 8.1722 119.4973 59.7535 29.3522 179.4971 42 E 3.8180 7.9063 118.1515 59.0805 29.2949 179.6155 43 K 3.6796 7.6397 118.7034 59.0973 32.0690 179.3452 44 L 3.8359 8.1116 119.7027 57.6924 41.4924 179.7059 45 R 3.4469 7.6045 118.1075 59.0574 29.8901 178.6305 46 E 4.0578 7.5917 114.2391 57.6986 29.9616 176.7578 47 Y 4.7505 7.1173 117.6565 57.2188 38.5079 175.3579 48 D 4.2476 8.4616 117.6660 55.9490 38.9927 173.4807 49 Y 3.4384 8.0777 110.8427 59.1579 36.3221 171.0915 50 D 4.5991 8.0083 120.4210 53.3806 41.3087 176.2602 51 L 4.0068 8.3907 127.8990 57.7753 41.9985 179.2718 52 K 3.9180 7.9906 119.0020 59.5267 32.1618 178.6137 53 R 3.7805 8.4556 119.0615 59.5445 29.8919 178.6321 54 T 3.6779 8.0098 115.3900 66.3807 68.4784 176.3929 55 A 3.9911 7.9998 122.5635 55.3333 18.3328 179.5346 56 E 3.8988 7.9605 116.6263 59.6227 29.3068 179.3545 57 E 3.9273 7.9376 117.6867 58.8044 29.5956 178.5788 58 I 4.4696 7.4928 109.3500 60.4045 38.1364 176.2003 59 G 3.9237 7.9457 108.8375 45.7564 0.0000 173.1667 60 I 4.6935 7.4522 111.2351 57.7972 40.7974 175.4919 61 D 4.5387 8.3274 120.6978 53.7833 42.6301 177.2632 62 L 3.9592 8.5341 125.0278 58.4730 42.1673 179.4096 63 S 4.2239 8.1868 113.5545 61.7768 62.5977 176.1941 64 N 4.3242 8.0414 119.3843 55.9812 38.3748 176.7218 65 L 3.9669 8.4988 122.0181 58.6768 42.0567 178.5206 66 Y 4.1322 8.6593 119.6562 60.4809 38.6356 177.8000 67 R 3.8311 8.2258 119.1600 59.2895 30.2323 179.1560 68 K 3.9581 8.2035 118.1438 59.4960 31.9520 179.3376 69 I 3.6766 7.9985 120.3836 64.3702 36.8607 178.7159 70 K 3.7947 7.6993 119.0887 59.3584 31.7099 179.4157 71 S 4.0232 8.0157 112.8286 61.3450 62.3166 174.9580 72 L 4.1979 8.3690 117.0551 54.4694 41.7288 175.8979 73 N 4.1363 7.4668 116.2250 54.5578 37.5302 173.8458 74 I 4.2995 7.8360 117.7573 59.7783 38.6659 176.1797 75 R 4.3610 8.4340 121.6302 55.1101 30.5857 176.0702 76 V 4.6724 8.2996 120.3406 59.9183 34.2861 174.7844 77 K 4.2794 7.0863 125.4115 54.6735 32.6279 173.0473 78 S 3.6077 8.5466 129.2074 59.1652 62.8489 171.7591 79 S 4.2672 8.5402 118.1942 58.3519 62.4277 173.3013 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 20 S 8.19 4.48 0.00 3.97 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 21 Y 8.42 3.91 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 22 L 9.00 4.28 0.00 1.84 1.77 1.16 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.89 3.99 0.00 1.63 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.57 4.12 0.00 1.59 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.62 7.81 25 I 7.36 3.70 2.00 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 1.05 0.64 0.95 0.00 0.00 26 K 7.87 4.06 0.00 1.67 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.50 7.81 27 E 7.68 4.25 0.00 2.28 1.84 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 2.39 2.35 0.00 28 L 8.31 3.94 0.00 1.74 1.65 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.01 4.02 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 30 E 8.11 4.13 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 31 A 7.94 4.14 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 32 K 8.13 4.09 0.00 1.98 1.91 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 33 K 7.80 4.06 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 34 E 8.23 4.03 0.00 2.13 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 0.00 2.42 2.61 0.00 35 F 8.33 4.26 0.00 3.22 3.23 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 0.00 36 E 8.42 3.82 0.00 2.31 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 0.00 2.33 2.32 0.00 37 K 8.30 3.90 0.00 1.92 2.04 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 38 I 7.65 3.66 1.81 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 1.38 0.96 0.88 0.00 0.00 39 F 8.21 3.78 0.00 2.24 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 40 I 7.95 3.69 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.68 0.92 0.00 0.00 41 E 8.17 3.88 0.00 2.10 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 2.33 2.51 0.00 42 E 7.91 3.82 0.00 1.96 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 2.21 2.38 0.00 43 K 7.64 3.68 0.00 1.74 1.84 0.00 1.57 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.78 1.05 7.81 44 L 8.11 3.84 0.00 1.60 1.05 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.60 3.45 0.00 1.82 1.83 0.00 3.05 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 46 E 7.59 4.06 0.00 1.74 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 1.89 1.47 0.00 47 Y 7.12 4.75 0.00 3.01 2.83 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 48 D 8.46 4.25 0.00 2.87 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 49 Y 8.08 3.44 0.00 3.10 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 50 D 8.01 4.60 0.00 2.82 2.68 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 0.00 0.00 0.00 51 L 8.39 4.01 0.00 1.75 1.74 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.99 3.92 0.00 1.80 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 53 R 8.46 3.78 0.00 1.81 2.06 0.00 3.04 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.00 54 T 8.01 3.68 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 A 8.00 3.99 1.44 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 0.00 0.00 56 E 7.96 3.90 0.00 1.98 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 2.30 2.44 0.00 57 E 7.94 3.93 0.00 1.86 1.94 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 2.09 1.47 0.00 58 I 7.49 4.47 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.69 1.11 0.00 0.00 59 G 7.95 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 60 I 7.45 4.69 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.94 0.00 0.00 61 D 8.33 4.54 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 3.96 0.00 1.75 1.67 0.96 0.83 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 63 S 8.19 4.22 0.00 4.13 4.15 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 64 N 8.04 4.32 0.00 2.99 2.93 0.00 0.00 6.72 6.74 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 65 L 8.50 3.97 0.00 1.75 1.92 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.66 4.13 0.00 3.13 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 67 R 8.23 3.83 0.00 2.09 1.97 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 68 K 8.20 3.96 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.61 7.81 69 I 8.00 3.68 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.90 0.91 0.00 0.00 70 K 7.70 3.79 0.00 1.75 1.70 0.00 1.23 0.00 0.00 0.88 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 0.76 7.81 71 S 8.02 4.02 0.00 3.78 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 72 L 8.37 4.20 0.00 1.68 1.69 0.93 1.04 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 73 N 7.47 4.14 0.00 2.77 2.88 0.00 0.00 7.10 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.84 4.30 1.88 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 1.36 0.69 0.95 0.00 0.00 75 R 8.43 4.36 0.00 1.91 1.94 0.00 2.97 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 V 8.30 4.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.08 0.00 0.00 77 K 7.09 4.28 0.00 1.01 1.30 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.08 0.82 7.81 78 S 8.55 3.61 0.00 4.11 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 79 S 8.54 4.27 0.00 3.76 3.65 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 0.00 0.00 0.00 0.00