NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.7898 8.2076 120.4751 54.4175 43.1470 173.4817 9 F 5.2699 7.9313 115.7683 54.9538 41.4158 168.5943 10 V 4.6567 9.0293 112.3540 59.5724 35.8614 176.0904 11 V 4.7370 8.7638 124.2037 61.3417 33.7383 174.4376 12 I 4.9371 8.9103 128.5430 59.4122 40.7293 174.0744 13 K 4.8887 9.0001 129.0569 54.3285 34.4041 174.9970 14 A 4.4753 8.9535 130.5627 52.1679 18.9770 177.7224 15 V 4.3713 8.8760 122.6271 62.9784 32.6289 174.8637 16 E 4.8592 7.8421 116.0091 54.8655 33.0235 174.7746 17 D 4.4357 8.7004 119.6665 54.7465 41.8293 176.3743 18 G 3.8295 8.9910 108.1449 46.4957 0.0000 174.3554 19 V 3.9102 7.5398 119.1613 62.8198 33.0406 174.2859 20 N 5.3154 8.9041 123.9683 51.4558 41.4784 173.6015 21 V 4.5242 8.6961 124.6167 61.4572 33.4413 174.1473 22 I 4.6547 8.8986 130.1582 59.4087 39.5451 175.0559 23 G 4.2110 8.9458 114.9537 44.8583 0.0000 172.4621 24 L 5.5944 8.7119 125.4384 53.0715 44.1430 176.2674 25 T 4.4369 8.9092 114.3399 61.8095 69.4894 174.0404 26 R 4.3101 8.0800 126.0675 55.5652 30.8301 176.3500 27 G 3.8287 8.7311 112.2734 44.3930 0.0000 172.6681 28 T 3.9704 8.4024 109.6978 64.2953 68.9670 174.3682 29 D 4.7089 7.8063 120.0773 53.2689 42.1785 176.1273 30 T 4.6143 8.2564 118.1648 61.8834 70.6925 173.2749 31 K 4.6631 9.1124 125.6398 54.0352 36.7964 175.9497 32 F 5.2834 8.6060 121.9227 58.1879 38.9360 174.9535 33 H 4.9629 9.0539 118.9224 56.1798 30.4674 174.1623 34 H 4.6474 7.5656 116.6611 55.2237 33.2225 172.0947 35 S 4.8897 8.3826 119.6984 56.4590 64.7357 172.2883 36 E 4.4886 9.0733 129.5066 54.6768 30.9828 174.8206 37 K 4.8520 8.5798 126.6189 55.6228 33.9220 176.1435 38 L 4.9039 8.9751 124.0030 53.1705 45.1018 176.1778 39 D 5.0241 9.1505 123.7758 52.2549 43.4128 175.9035 40 K 3.9500 8.8460 121.4126 58.6770 32.2171 177.0637 41 G 4.0034 9.2407 115.2215 45.3921 0.0000 173.3847 42 E 4.3636 8.3983 119.7233 56.0640 31.0359 175.9217 43 V 4.8516 8.1749 120.7268 61.1467 34.7950 174.3494 44 I 4.5268 8.7738 127.1509 59.1698 41.0914 173.9390 45 I 4.8813 8.3975 129.1951 59.6092 38.9444 174.6532 46 A 4.7064 8.9183 129.3974 50.1101 21.7966 175.4189 47 Q 4.8630 8.5430 120.6465 54.7240 30.7320 175.5546 48 F 4.6225 8.6494 120.2758 57.8410 39.8642 175.3090 49 T 4.7448 8.6643 111.3304 60.1024 71.9585 173.3754 50 E 4.0243 8.9236 119.9768 59.5619 29.5349 178.1682 51 H 4.5948 8.1301 113.9642 56.1858 30.1268 174.1897 52 T 5.5307 8.4598 116.8872 60.8751 70.8251 174.5620 53 S 5.0189 9.1130 119.0655 57.9451 65.1191 173.2153 54 A 5.0810 8.0119 121.6770 50.9154 22.7492 175.0702 55 I 4.9333 8.5672 120.4560 59.3609 40.7539 174.7157 56 K 4.6118 9.0634 128.2359 54.4714 34.9380 174.6859 57 V 4.7747 8.3396 125.9369 61.0184 34.1561 174.3227 58 R 4.4682 8.9325 128.0656 55.3672 32.5598 174.5339 59 G 4.3059 9.1168 112.9772 43.6230 0.0000 172.6088 60 E 4.4029 9.0608 121.2648 56.1842 30.7595 175.4787 61 A 5.0011 8.7652 127.0674 50.9824 23.6628 174.0135 62 L 4.9204 8.6996 121.3874 53.4001 44.5803 175.2138 63 I 5.0264 8.8293 126.8796 59.6242 40.3478 174.3246 64 Q 5.2093 9.1027 126.0658 54.5020 31.6387 174.9710 65 T 4.9284 8.8711 112.7908 59.6768 72.4360 174.2364 66 A 3.8768 8.4813 123.2213 55.1771 18.1311 177.9004 67 Y 4.7424 7.4349 111.2788 57.6702 38.8906 174.9827 68 G 3.9551 7.9250 106.0494 44.0045 0.0000 172.5819 69 E 5.3038 8.5377 119.1810 55.1493 32.3973 175.4532 70 M 4.8431 8.8800 120.8979 54.1668 36.3610 173.4804 71 K 5.0901 8.6466 124.7883 54.8309 34.2022 176.1128 72 S 4.6086 8.5853 119.9795 57.7211 64.9238 173.7566 73 E 4.7514 8.5513 121.2209 55.0360 30.9985 176.2045 74 K 4.2074 8.6065 120.5759 56.6664 32.8398 177.4509 75 K 4.1382 8.8260 122.1243 57.2251 32.5958 176.7766 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 8 D 8.21 4.79 0.00 2.83 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 9 F 7.93 5.27 0.00 3.11 2.92 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 10 V 9.03 4.66 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 0.62 0.00 0.00 0.80 0.00 0.00 11 V 8.76 4.74 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.14 0.00 0.00 12 I 8.91 4.94 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.89 0.00 0.00 13 K 9.00 4.89 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.95 4.48 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 15 V 8.88 4.37 2.18 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 0.88 0.00 0.00 0.93 0.00 0.00 16 E 7.84 4.86 0.00 1.93 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 2.21 2.31 0.00 17 D 8.70 4.44 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 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 0.00 0.00 0.00 19 V 7.54 3.91 2.17 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 0.91 0.00 0.00 0.98 0.00 0.00 20 N 8.90 5.32 0.00 2.69 2.59 0.00 0.00 6.45 6.96 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 21 V 8.70 4.52 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 0.95 0.00 0.00 0.89 0.00 0.00 22 I 8.90 4.65 1.40 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.36 -0.13 0.00 0.00 23 G 8.95 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 0.00 0.00 0.00 0.00 24 L 8.71 5.59 0.00 1.94 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.91 4.44 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 1.38 0.00 0.00 26 R 8.08 4.31 0.00 1.89 1.98 0.00 3.23 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.73 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 0.00 0.00 0.00 28 T 8.40 3.97 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 29 D 7.81 4.71 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.26 4.61 4.25 0.00 0.00 0.00 0.00 0.00 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 31 K 9.11 4.66 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.36 7.81 32 F 8.61 5.28 0.00 2.91 2.84 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 33 H 9.05 4.96 0.00 3.12 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.57 4.65 0.00 3.29 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.89 0.00 3.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.49 0.00 2.14 1.77 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 2.23 2.31 0.00 37 K 8.58 4.85 0.00 1.65 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 L 8.98 4.90 0.00 1.48 1.50 0.95 0.95 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 39 D 9.15 5.02 0.00 2.59 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 40 K 8.85 3.95 0.00 1.77 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.55 7.81 41 G 9.24 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 0.00 0.00 0.00 42 E 8.40 4.36 0.00 1.97 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 2.31 2.31 0.00 43 V 8.17 4.85 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 0.76 0.00 0.00 0.92 0.00 0.00 44 I 8.77 4.53 1.84 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 1.18 1.49 0.87 0.00 0.00 45 I 8.40 4.88 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.40 0.00 0.00 46 A 8.92 4.71 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 47 Q 8.54 4.86 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.65 4.62 0.00 2.99 2.94 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 0.00 0.00 0.00 49 T 8.66 4.74 4.29 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 1.31 0.00 0.00 50 E 8.92 4.02 0.00 1.91 1.90 0.00 0.00 0.00 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 2.26 0.00 51 H 8.13 4.59 0.00 3.21 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.46 5.53 4.35 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 1.33 0.00 0.00 53 S 9.11 5.02 0.00 3.83 4.07 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 0.00 0.00 0.00 0.00 54 A 8.01 5.08 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 55 I 8.57 4.93 1.80 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.82 0.00 0.00 56 K 9.06 4.61 0.00 1.69 1.39 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.34 7.81 57 V 8.34 4.77 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 8.93 4.47 0.00 1.86 1.69 0.00 3.12 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 9.12 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 0.00 0.00 0.00 0.00 60 E 9.06 4.40 0.00 2.06 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 2.37 2.32 0.00 61 A 8.77 5.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.92 0.00 1.78 1.52 0.93 0.94 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 63 I 8.83 5.03 2.01 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 1.22 0.59 0.91 0.00 0.00 64 Q 9.10 5.21 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 65 T 8.87 4.93 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 1.16 0.00 0.00 66 A 8.48 3.88 1.06 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 0.00 0.00 67 Y 7.43 4.74 0.00 2.98 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 68 G 7.92 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 69 E 8.54 5.30 0.00 1.86 1.87 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 2.23 2.29 0.00 70 M 8.88 4.84 0.00 2.11 1.86 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 2.51 2.59 0.00 71 K 8.65 5.09 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.42 7.81 72 S 8.59 4.61 0.00 3.93 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 73 E 8.55 4.75 0.00 1.88 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 2.28 2.28 0.00 74 K 8.61 4.21 0.00 1.64 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.46 7.81 75 K 8.83 4.14 0.00 1.88 1.79 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.38 7.81