NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.1388 7.9133 120.3203 61.3543 33.3664 177.4765 5 C 4.8028 8.2299 114.4162 54.7042 41.1022 172.4921 6 S 4.4985 8.1058 113.1106 58.1150 65.1446 173.9654 7 E 4.1158 8.0436 121.9139 55.7932 30.0381 176.2571 8 Q 3.9848 8.3319 123.2371 55.4363 29.4424 176.0408 9 A 3.2498 7.6281 123.7310 51.6522 18.4041 176.7403 10 E 4.5426 8.0926 124.3012 54.4491 31.6155 175.8755 11 T 4.3324 8.6306 117.2029 62.7311 69.4706 175.7331 12 G 4.3339 8.4557 106.5711 45.3379 0.0000 171.3992 13 P 4.3465 0.0000 0.0000 65.2388 31.7315 177.7915 14 C 4.5050 7.9669 115.9108 57.2196 40.6431 173.5319 15 R 4.3855 8.1809 117.7134 56.0129 30.5803 176.2070 16 A 4.3017 7.8790 121.6354 51.0458 20.5417 177.5333 17 M 4.8660 7.9016 115.2833 54.1591 31.2594 174.3872 18 I 4.4683 8.6292 122.2315 59.5858 39.8844 176.6296 19 S 4.1916 8.7724 124.1404 58.6557 63.4856 173.6984 20 R 4.8786 7.9715 123.4401 54.6360 34.8684 173.8335 21 W 6.0161 9.5908 118.2231 55.9162 33.7463 174.4051 22 Y 5.5971 9.1858 119.7157 55.3472 41.5711 173.9410 23 F 4.6069 9.5620 124.3801 57.8218 40.1657 174.4952 24 D 4.5632 8.1377 127.3331 53.2489 41.0507 177.4293 25 V 3.5349 8.2060 120.8854 64.0683 31.6479 178.5310 26 T 4.0544 7.7101 114.7673 66.5899 69.1539 176.2213 27 E 4.1889 8.9826 118.8389 56.2547 29.1286 177.5465 28 G 3.9468 7.2671 106.7987 45.5235 0.0000 172.7851 29 K 4.7564 6.7758 115.5012 55.2011 36.6427 174.3084 30 C 5.1010 8.7344 117.4027 56.7444 40.6202 173.1691 31 A 5.1547 8.8667 122.8764 49.6455 22.6536 173.9367 32 P 3.9363 0.0000 0.0000 62.3345 32.4614 175.8094 33 F 4.5708 7.8534 114.3340 56.1957 41.5249 172.7257 34 F 4.9083 8.7506 119.5661 56.6498 39.9729 174.6639 35 Y 4.8526 9.0832 126.0763 56.5642 40.1631 176.3692 36 G 3.9635 8.3841 112.5642 45.8482 0.0000 174.6891 37 G 3.7467 5.9499 109.8100 45.4747 0.0000 172.9169 38 C 5.0608 7.2460 112.6173 54.3267 45.6484 174.4435 39 G 3.9197 8.9521 107.3625 46.7386 0.0000 173.1336 40 G 3.8703 9.2636 110.5770 46.1651 0.0000 171.2046 41 N 4.9654 8.2125 120.7066 51.4150 40.2732 174.8998 42 R 3.8684 8.3788 116.3597 58.6190 30.6161 177.5621 43 N 4.6873 7.8106 117.7755 50.9861 36.9684 174.8367 44 N 4.8676 6.2928 115.9835 53.0431 40.5280 172.9900 45 F 5.0686 9.4040 124.7677 55.3849 42.8445 176.3081 46 D 4.5155 8.9368 122.4356 56.7011 41.5622 177.2842 47 T 4.7283 7.7054 114.3355 60.7489 72.9426 174.2124 48 E 2.8840 7.5139 124.8513 59.0869 29.4043 178.9119 49 E 3.7651 7.8458 117.9059 59.7405 29.5992 178.7333 50 Y 3.7354 7.8107 118.6094 60.6661 38.9590 178.2283 51 C 3.1423 8.3443 119.6931 59.7801 43.5181 175.5535 52 M 3.8358 7.7621 118.7493 58.2188 31.5657 178.1966 53 A 3.8855 7.6740 120.2225 54.8973 18.4827 179.2689 54 V 3.5888 6.7705 114.9818 64.3274 31.8224 175.3125 55 C 4.1417 7.4861 119.8763 56.6991 41.5192 173.4980 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 4 V 7.91 4.14 2.12 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 0.83 0.00 0.00 1.05 0.00 0.00 5 C 8.23 4.80 0.00 3.04 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 6 S 8.11 4.50 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 7 E 8.04 4.12 0.00 1.96 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 2.28 2.39 0.00 8 Q 8.33 3.98 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 9 A 7.63 3.25 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.54 0.00 1.81 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 2.20 2.23 0.00 11 T 8.63 4.33 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 12 G 8.46 4.33 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 0.00 13 P 0.00 4.35 0.00 2.16 2.19 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 14 C 7.97 4.51 0.00 2.86 3.01 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 15 R 8.18 4.39 0.00 1.71 1.84 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 16 A 7.88 4.30 1.18 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 17 M 7.90 4.87 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 18 I 8.63 4.47 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.97 0.00 0.00 19 S 8.77 4.19 0.00 3.75 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 20 R 7.97 4.88 0.00 1.02 2.01 0.00 3.13 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 21 W 9.59 6.02 0.00 3.45 3.26 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 0.00 0.00 0.00 0.00 22 Y 9.19 5.60 0.00 3.29 2.93 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 23 F 9.56 4.61 0.00 3.03 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 24 D 8.14 4.56 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.53 2.19 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 1.01 0.00 0.00 0.95 0.00 0.00 26 T 7.71 4.05 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 1.19 0.00 0.00 27 E 8.98 4.19 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 28 G 7.27 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 29 K 6.78 4.76 0.00 1.85 1.84 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 30 C 8.73 5.10 0.00 2.87 3.30 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 31 A 8.87 5.15 1.10 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 0.00 0.00 32 P 0.00 3.94 0.00 1.43 0.97 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.96 0.00 33 F 7.85 4.57 0.00 3.05 3.01 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 34 F 8.75 4.91 0.00 2.97 2.98 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 0.00 0.00 0.00 35 Y 9.08 4.85 0.00 2.60 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 37 G 5.95 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 0.00 0.00 0.00 38 C 7.25 5.06 0.00 3.06 3.10 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 39 G 8.95 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 40 G 9.26 3.87 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 0.00 0.00 0.00 41 N 8.21 4.97 0.00 2.74 2.76 0.00 0.00 5.89 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 42 R 8.38 3.87 0.00 1.82 2.01 0.00 3.37 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 43 N 7.81 4.69 0.00 2.84 2.87 0.00 0.00 6.88 7.81 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 44 N 6.29 4.87 0.00 2.62 2.41 0.00 0.00 7.08 7.02 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 45 F 9.40 5.07 0.00 3.41 3.17 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 46 D 8.94 4.52 0.00 2.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.73 4.31 0.00 0.00 0.00 0.00 0.00 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 48 E 7.51 2.88 0.00 1.16 1.19 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 1.84 1.47 0.00 49 E 7.85 3.77 0.00 2.00 1.92 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 2.29 2.26 0.00 50 Y 7.81 3.74 0.00 3.07 3.10 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 51 C 8.34 3.14 0.00 3.21 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 52 M 7.76 3.84 0.00 1.90 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 53 A 7.67 3.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 6.77 3.59 1.43 0.00 0.00 0.00 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 0.52 0.00 0.00 55 C 7.49 4.14 0.00 2.55 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00