NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5922 8.2233 120.1924 54.0202 42.7033 175.5795 10 E 3.7121 8.9122 127.1185 59.4333 29.4120 177.8980 11 D 4.4020 8.3960 118.4497 57.5062 41.3635 178.3765 12 L 3.0992 7.4997 120.1070 57.8192 42.0253 178.7714 13 L 3.8849 7.5659 118.4689 57.8439 41.6478 179.4570 14 K 3.8660 8.0238 119.0770 59.4279 32.0865 178.6471 15 A 3.9421 7.9590 121.0972 55.0384 18.1917 179.8346 16 V 3.4825 7.8290 116.8221 66.3097 31.8083 178.2262 17 R 3.9302 8.0531 117.8702 59.3945 29.9071 178.8546 18 L 4.0919 7.9535 119.7761 58.2057 42.0810 178.9717 19 I 3.7247 7.9317 119.8395 64.1747 37.0105 178.0931 20 K 3.9976 8.4555 120.7987 59.8127 31.9714 178.3447 21 F 4.4132 8.2166 120.2780 61.6025 39.0009 177.0694 22 L 3.7342 7.8046 117.3486 57.3230 41.4642 178.5210 23 Y 4.2699 7.6756 116.6254 60.5468 37.8215 177.8156 24 Q 4.0693 8.1262 118.3027 58.2645 29.1916 177.6434 25 S 4.1497 7.3456 114.5395 58.9803 63.9901 173.5224 26 N 4.2426 8.4652 117.9562 53.9393 35.4751 171.3726 27 P 5.0662 0.0000 0.0000 60.6684 34.5866 174.3204 28 P 3.2726 0.0000 0.0000 62.1403 32.9122 175.6638 29 P 4.3360 0.0000 0.0000 64.2981 29.4478 175.8271 30 N 4.7293 8.8816 109.2988 52.9007 41.5299 172.1510 31 P 4.7320 0.0000 0.0000 61.5123 33.2319 175.0529 32 E 4.6165 8.4720 119.4248 54.4971 32.7327 175.4036 33 G 4.0075 8.5315 112.8315 44.5757 0.0000 173.2302 34 T 4.2078 8.2270 110.3651 60.3460 71.3285 172.5402 35 R 3.9213 8.6158 124.2723 57.8067 30.2317 178.2155 36 Q 3.5826 8.9309 120.5304 57.3372 28.0669 175.5725 37 A 4.2234 8.0156 118.4905 54.1131 18.7868 179.4026 38 R 3.9784 8.1922 118.1031 59.7550 29.9269 178.7614 39 R 4.0832 7.9151 116.4854 58.2104 29.9980 178.2669 40 N 4.3378 7.6700 116.4825 56.7787 38.9552 176.9030 41 R 4.1028 7.7162 118.2241 58.4268 30.1567 179.1522 42 R 4.0275 7.8894 118.0738 59.3954 30.2131 178.6205 43 R 3.9446 7.6586 117.2690 59.4354 30.1257 179.0790 44 R 3.8736 7.7004 118.1767 59.3957 30.1336 178.4746 45 W 4.0281 8.9168 128.5443 60.1095 30.6512 178.2920 46 R 3.8750 8.7231 118.6264 59.2380 29.6282 178.4555 47 E 3.8578 8.0914 118.3030 59.6350 29.5488 179.6435 48 R 3.6709 7.7414 118.2256 59.4443 30.0918 178.3747 49 Q 3.5560 7.5284 119.4270 58.9538 28.7956 178.0655 50 R 3.8936 8.3436 119.5102 59.4782 30.0547 178.5140 51 Q 3.9127 7.9381 119.2241 58.9793 29.0395 177.8753 52 I 3.4334 7.6656 120.5527 64.8650 37.0996 177.4104 53 H 4.2542 8.7524 120.5515 58.9121 29.6353 177.3114 54 S 4.1518 7.9766 115.7747 61.4001 62.7757 176.5372 55 I 3.6616 7.8316 123.2670 64.3246 36.8370 178.5089 56 S 4.1192 8.1639 116.0635 61.5217 62.6457 176.0082 57 E 3.9312 8.4272 122.2552 59.7345 28.8739 179.2715 58 R 4.0102 8.0556 118.8189 58.7989 29.9741 179.1279 59 I 3.8599 8.0029 118.6053 64.4762 37.3736 178.2935 60 L 4.3094 8.4227 120.3385 57.8820 41.2988 179.4072 61 S 4.1518 8.3407 114.5550 61.9558 62.3280 176.6153 62 T 4.0747 7.6083 110.5704 63.6980 68.5524 174.5782 63 Y 4.6137 8.3125 118.9830 57.5847 37.8356 175.7906 64 L 4.6356 7.5395 116.0897 53.2381 44.5203 176.9949 65 G 3.7718 8.2402 114.8541 46.9417 0.0000 172.4542 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 9 D 8.22 4.59 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 10 E 8.91 3.71 0.00 2.19 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 2.42 2.53 0.00 11 D 8.40 4.40 0.00 3.11 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 12 L 7.50 3.10 0.00 1.37 1.72 0.45 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.57 3.88 0.00 1.85 1.68 0.95 1.17 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 14 K 8.02 3.87 0.00 2.00 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 A 7.96 3.94 1.15 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 0.00 0.00 16 V 7.83 3.48 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 1.10 0.00 0.00 0.91 0.00 0.00 17 R 8.05 3.93 0.00 2.12 1.99 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 18 L 7.95 4.09 0.00 1.90 1.96 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.93 3.72 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 1.11 0.00 0.00 20 K 8.46 4.00 0.00 2.09 2.05 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.65 7.81 21 F 8.22 4.41 0.00 3.19 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 22 L 7.80 3.73 0.00 1.69 1.41 0.95 0.49 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 23 Y 7.68 4.27 0.00 3.17 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 24 Q 8.13 4.07 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 25 S 7.35 4.15 0.00 3.43 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.47 4.24 0.00 2.79 2.87 0.00 0.00 6.94 8.02 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 27 P 0.00 5.07 0.00 2.19 2.29 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 28 P 0.00 3.27 0.00 1.90 1.66 0.00 3.72 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 1.84 1.81 0.00 29 P 0.00 4.34 0.00 2.11 1.55 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 30 N 8.88 4.73 0.00 2.75 2.77 0.00 0.00 6.76 8.02 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 31 P 0.00 4.73 0.00 2.13 1.97 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 32 E 8.47 4.62 0.00 1.91 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 2.18 2.25 0.00 33 G 8.53 4.01 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 0.00 0.00 0.00 34 T 8.23 4.21 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 35 R 8.62 3.92 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 36 Q 8.93 3.58 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 37 A 8.02 4.22 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 38 R 8.19 3.98 0.00 2.08 1.93 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 39 R 7.92 4.08 0.00 1.95 1.97 0.00 3.24 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 40 N 7.67 4.34 0.00 3.03 2.98 0.00 0.00 7.05 7.53 0.00 0.00 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 R 7.72 4.10 0.00 2.06 2.01 0.00 3.19 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 R 7.89 4.03 0.00 2.11 2.03 0.00 3.16 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 43 R 7.66 3.94 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 44 R 7.70 3.87 0.00 1.87 2.19 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 45 W 8.92 4.03 0.00 3.52 3.28 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 46 R 8.72 3.88 0.00 2.09 1.97 0.00 3.24 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 1.76 1.95 0.00 47 E 8.09 3.86 0.00 2.24 1.97 0.00 0.00 0.00 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 2.38 0.00 48 R 7.74 3.67 0.00 1.78 1.53 0.00 2.98 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 49 Q 7.53 3.56 0.00 1.08 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 50 R 8.34 3.89 0.00 1.99 1.92 0.00 3.16 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 51 Q 7.94 3.91 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 52 I 7.67 3.43 1.38 0.00 0.00 0.51 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 0.31 -0.13 0.00 0.00 53 H 8.75 4.25 0.00 3.42 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.98 4.15 0.00 4.04 4.11 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 0.00 0.00 0.00 55 I 7.83 3.66 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 0.88 0.00 0.00 56 S 8.16 4.12 0.00 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 0.00 57 E 8.43 3.93 0.00 2.28 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 2.34 2.42 0.00 58 R 8.06 4.01 0.00 2.17 1.97 0.00 3.21 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 59 I 8.00 3.86 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 1.07 0.00 0.00 60 L 8.42 4.31 0.00 1.79 1.76 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.34 4.15 0.00 4.07 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 0.00 62 T 7.61 4.07 4.04 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 1.21 0.00 0.00 63 Y 8.31 4.61 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.64 0.00 1.65 1.47 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.24 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 0.00 0.00 0.00