NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2914 8.3049 120.3490 56.3623 33.6617 175.1165 2 K 3.5806 8.5796 124.9696 55.1569 28.7989 171.7278 3 P 4.7142 0.0000 0.0000 62.1966 34.2296 176.5204 4 V 4.6101 8.3686 118.9632 61.3228 33.8822 175.2332 5 T 5.6531 8.7907 117.9935 60.1881 70.7963 175.3133 6 L 3.5525 8.7104 121.7257 56.7445 42.1113 178.0176 7 Y 3.9812 8.0246 116.3930 61.5624 38.0388 177.2086 8 D 4.3824 8.0969 119.9657 57.2674 40.8922 178.9181 9 V 3.5245 7.3024 117.3788 65.8730 31.4913 177.9843 10 A 3.9386 7.6763 120.5395 55.1607 18.0464 179.0985 11 E 3.9068 8.1615 116.7074 59.7168 29.7514 178.1845 12 Y 4.1170 8.0622 118.2384 60.5966 39.0018 177.3107 13 A 4.1775 8.1524 120.7429 53.1436 18.4151 178.3102 14 G 3.7591 8.0816 104.7181 45.9569 0.0000 173.1385 15 V 4.4917 7.2978 111.3623 58.4191 35.2671 175.4567 16 S 4.4282 8.1974 115.1213 58.0946 63.4976 175.0352 17 Y 3.9733 8.5310 120.4356 60.1091 37.5521 178.4649 18 Q 3.3286 7.6216 119.5159 58.5809 28.9171 178.2013 19 T 3.8456 7.7636 117.0491 66.1452 68.3202 176.9393 20 V 3.4680 7.3373 119.9793 66.0491 31.7093 177.5461 21 S 4.0768 7.4093 112.7208 61.8262 61.4539 176.2905 22 R 3.8244 7.9583 120.4244 59.3012 29.6402 179.0359 23 V 3.6134 7.5326 117.2785 66.2241 31.5879 178.1303 24 V 3.8141 8.1618 117.5634 65.6985 31.4126 174.8442 25 N 4.8181 8.2749 112.3390 53.9538 41.5988 175.2312 26 Q 4.2188 7.9353 121.7001 54.4206 27.6368 176.7281 27 A 4.1656 8.1492 124.7503 53.6985 18.7847 178.5936 28 S 4.1998 7.5250 110.1382 59.4435 63.5746 174.0647 29 H 4.1448 8.9282 116.9870 56.7624 25.9699 174.9969 30 V 4.2402 7.1478 119.5061 60.2950 32.6146 176.0545 31 S 4.3531 8.3877 122.5904 57.9149 65.1015 174.6047 32 A 3.9403 8.5410 124.9484 55.2139 18.0265 179.7774 33 K 3.7611 8.1122 117.8287 60.1940 32.2514 178.9047 34 T 3.8877 7.8007 109.2813 64.6357 68.7823 176.1509 35 R 3.8685 8.2492 121.8143 59.3288 30.1200 178.3606 36 E 3.9870 8.7079 118.6150 59.3364 29.4301 179.5684 37 K 4.0014 7.9091 118.2277 59.4255 32.1101 179.6382 38 V 3.6172 7.9098 118.4955 66.0325 31.2452 177.8771 39 E 4.0022 8.1810 117.0771 59.4823 29.6103 178.9771 40 A 4.1545 8.3299 120.6185 55.0234 18.4707 179.5415 41 A 4.0719 8.3251 119.3535 55.5211 18.4063 179.7109 42 M 4.1482 8.1125 116.6228 58.0447 32.0867 178.2534 43 A 4.4133 7.9408 120.4772 53.6314 19.2768 179.2873 44 E 3.8354 7.8606 116.0106 59.6311 29.5724 178.3990 45 L 3.9222 7.5651 115.9555 54.9051 42.5888 175.8802 46 N 4.0555 7.3727 114.8212 53.6430 36.7914 173.8075 47 Y 4.3857 8.3929 119.6044 59.0159 40.2323 177.0549 48 I 4.2980 8.2884 128.1157 58.2084 39.1552 172.6104 49 P 4.3781 0.0000 0.0000 62.5005 32.3535 176.6288 50 N 4.4696 9.1172 120.6225 53.5956 38.4814 175.8916 51 R 3.9633 8.5495 125.9827 59.2518 30.3332 178.5688 52 C 4.2078 7.9706 115.6711 62.7098 28.5106 175.7900 53 A 4.0523 7.8641 121.7403 55.1675 18.0691 179.6283 54 Q 3.9585 8.7421 116.9532 59.2312 28.6686 178.4902 55 Q 4.0662 7.4574 118.1179 59.4961 28.8785 177.7085 56 L 4.0206 8.0149 121.0567 57.7664 41.9364 178.4660 57 A 3.9497 8.4947 122.4353 54.5280 18.9604 177.0196 58 G 3.9788 6.8910 106.0014 45.6206 0.0000 175.4310 59 K 4.6288 8.3353 117.5241 55.4674 33.6245 174.8565 60 Q 3.9335 8.1595 124.2460 59.0908 30.3046 176.0972 61 S 3.5179 8.8440 110.1869 59.4657 60.1246 171.9842 62 L 3.9498 7.6499 123.5404 55.5221 42.6843 173.7014 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 8.30 4.29 0.00 1.97 2.04 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 2.48 2.63 0.00 2 K 8.58 3.58 0.00 2.01 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 3 P 0.00 4.71 0.00 2.12 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 4 V 8.37 4.61 2.42 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 0.99 0.00 0.00 1.03 0.00 0.00 5 T 8.79 5.65 4.41 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 1.32 0.00 0.00 6 L 8.71 3.55 0.00 1.82 1.83 0.98 0.93 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 7 Y 8.02 3.98 0.00 3.05 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 8 D 8.10 4.38 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.30 3.52 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 1.02 0.00 0.00 0.37 0.00 0.00 10 A 7.68 3.94 1.41 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 11 E 8.16 3.91 0.00 2.08 2.29 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 2.39 2.36 0.00 12 Y 8.06 4.12 0.00 3.06 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 13 A 8.15 4.18 1.41 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 14 G 8.08 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.30 4.49 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 0.78 0.00 0.00 0.91 0.00 0.00 16 S 8.20 4.43 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 3.97 0.00 2.58 2.88 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 18 Q 7.62 3.33 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.12 1.89 0.00 19 T 7.76 3.85 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 1.17 0.00 0.00 20 V 7.34 3.47 2.06 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 0.90 0.00 0.00 0.97 0.00 0.00 21 S 7.41 4.08 0.00 3.65 3.84 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 0.00 0.00 0.00 22 R 7.96 3.82 0.00 1.98 1.98 0.00 3.27 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 23 V 7.53 3.61 2.07 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 0.75 0.00 0.00 1.00 0.00 0.00 24 V 8.16 3.81 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 0.92 0.00 0.00 1.05 0.00 0.00 25 N 8.27 4.82 0.00 2.76 2.65 0.00 0.00 7.31 7.31 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 26 Q 7.94 4.22 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 27 A 8.15 4.17 1.26 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 0.00 0.00 28 S 7.53 4.20 0.00 3.99 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 29 H 8.93 4.14 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.15 4.24 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 0.98 0.00 0.00 31 S 8.39 4.35 0.00 4.08 3.97 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 0.00 0.00 0.00 32 A 8.54 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.76 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 34 T 7.80 3.89 4.23 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 1.20 0.00 0.00 35 R 8.25 3.87 0.00 2.05 2.10 0.00 3.10 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 1.63 1.67 0.00 36 E 8.71 3.99 0.00 2.16 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 2.46 2.50 0.00 37 K 7.91 4.00 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.78 7.81 38 V 7.91 3.62 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 1.11 0.00 0.00 1.01 0.00 0.00 39 E 8.18 4.00 0.00 2.22 2.03 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 2.37 2.52 0.00 40 A 8.33 4.15 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 41 A 8.33 4.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.11 4.15 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.84 0.00 43 A 7.94 4.41 1.32 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 0.00 0.00 0.00 44 E 7.86 3.84 0.00 1.63 1.31 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 2.52 2.39 0.00 45 L 7.57 3.92 0.00 1.59 1.67 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.37 4.06 0.00 2.93 2.88 0.00 0.00 7.09 7.42 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 47 Y 8.39 4.39 0.00 2.86 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 48 I 8.29 4.30 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.23 0.89 0.00 0.00 49 P 0.00 4.38 0.00 1.82 2.19 0.00 3.39 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 50 N 9.12 4.47 0.00 2.88 2.85 0.00 0.00 7.14 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 51 R 8.55 3.96 0.00 1.85 1.99 0.00 3.11 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 52 C 7.97 4.21 0.00 2.97 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 53 A 7.86 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.74 3.96 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 55 Q 7.46 4.07 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 56 L 8.01 4.02 0.00 2.11 1.79 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.49 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.89 3.98 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 0.00 0.00 0.00 59 K 8.34 4.63 0.00 1.64 1.72 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 Q 8.16 3.93 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.43 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 61 S 8.84 3.52 0.00 3.99 3.83 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 62 L 7.65 3.95 0.00 1.74 1.63 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00