NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4207 8.2893 118.1872 55.0495 32.7706 175.2812 54 T 4.0622 7.9338 110.0544 60.0512 71.1092 173.9637 55 L 3.9208 9.1426 124.5338 58.4917 42.6204 180.0033 56 D 4.3550 8.0775 118.2096 57.6177 40.8003 178.4587 57 E 3.9931 8.1518 119.4920 59.3076 29.4303 179.0193 58 S 4.1594 8.0731 115.4473 61.7104 62.7827 176.4339 59 C 4.1846 8.3220 119.6115 62.6118 27.9253 176.0912 60 K 3.8664 8.1148 121.3375 59.4622 31.5700 178.9556 61 I 3.7645 7.9533 119.5753 64.1557 37.1749 177.5665 62 L 4.3501 7.6773 116.0462 53.5795 42.5352 175.9430 63 N 4.1617 7.8306 116.0159 55.0859 37.5776 174.0762 64 I 4.5129 8.5542 118.3950 59.4011 40.0257 175.5918 65 E 4.4686 9.1901 126.4818 54.0071 30.3343 175.5008 66 E 3.9343 8.9698 128.8163 59.3683 29.6850 179.3481 67 S 4.2053 7.9993 111.3852 60.6292 63.2237 174.7277 68 K 4.2123 8.0600 119.2317 56.1616 32.1891 177.6427 69 G 3.9745 8.3936 108.3588 45.5465 0.0000 175.2794 70 D 4.5293 7.8563 118.6733 56.1475 41.1550 176.9858 71 L 4.3893 7.1210 121.5973 53.1255 40.5728 175.3869 72 N 5.0132 7.5960 119.0806 49.9861 41.7846 175.0013 73 M 3.9816 8.5550 121.4071 58.8351 32.4421 178.1166 74 D 4.2849 8.0461 117.6682 57.2302 41.4650 177.9890 75 K 3.9584 8.4030 120.0797 59.5640 32.1604 178.6999 76 I 3.7420 8.1544 120.5264 64.5740 36.9718 178.1407 77 N 4.4037 8.5549 117.5440 56.4865 38.2835 177.3284 78 N 4.4292 8.3963 117.8471 56.2465 38.6873 177.6888 79 R 4.0197 8.4191 119.9097 59.2420 30.1795 178.6955 80 F 4.1422 8.6049 120.5989 61.6186 39.3996 176.7568 81 N 4.1742 8.4975 116.0417 56.4376 38.3121 176.8645 82 Y 4.0379 7.8614 120.4416 60.8988 38.9479 177.8517 83 L 3.7608 7.9968 119.6753 57.1693 41.4296 179.3564 84 F 3.9263 7.9762 120.8131 61.0748 39.5311 176.5453 85 E 3.8869 7.8353 118.6417 59.1808 29.2565 178.9276 86 V 3.5176 7.2974 117.1249 64.9916 31.5011 176.7016 87 N 4.6713 7.1413 113.7335 51.8643 39.2545 174.4708 88 D 4.4338 7.2820 122.0109 53.7420 41.9145 177.2959 89 K 4.8068 8.4362 123.4128 58.3679 33.4309 178.5843 90 E 3.8678 8.5063 120.8935 58.7274 29.8368 177.9551 91 K 4.4710 7.9104 116.3659 55.7798 32.1969 176.9376 92 G 3.9026 8.1140 105.6450 45.2942 0.0000 173.9987 93 G 3.8928 7.5448 107.9011 44.0473 0.0000 173.1682 94 S 4.5406 8.3837 114.9723 57.5676 63.2444 174.8907 95 F 4.1267 8.9346 131.6707 61.2193 39.2260 176.1725 96 Y 3.8820 8.1805 118.8942 60.8044 38.8222 178.0441 97 L 3.9561 8.0948 119.7766 57.8432 41.6311 179.3854 98 Q 3.8815 8.3531 119.9114 59.1339 28.8925 178.4419 99 S 3.9408 7.9700 116.6478 61.4291 62.7552 176.7397 100 K 3.8990 7.7660 121.1777 59.3746 31.7036 179.6365 101 V 3.6742 7.7545 118.1127 66.0659 31.4463 177.3226 102 Y 4.3438 8.6101 119.7314 61.1451 38.6799 178.5495 103 R 3.8805 8.7162 119.0714 59.0037 30.1296 178.8413 104 A 4.1808 8.7509 122.2203 54.6617 18.4196 179.6215 105 A 3.8678 8.1857 119.3299 55.0174 18.2967 179.4458 106 E 3.5765 8.0509 118.1097 59.2526 29.6492 179.1288 107 R 3.8745 7.9174 118.6164 59.5728 30.1448 178.5612 108 L 4.0491 8.0559 118.8065 57.6429 41.4730 179.7057 109 K 3.9206 8.5593 119.1012 58.8242 31.9314 179.1242 110 W 4.0263 8.3876 128.9316 60.4636 30.6051 177.5172 111 E 3.8512 8.4253 119.1458 59.4528 29.2116 178.8521 112 L 3.8908 8.1708 118.8921 57.6460 41.4139 179.3596 113 A 3.8954 7.8534 120.0810 54.7312 18.4990 179.6293 114 Q 3.7179 7.4692 116.8342 59.1957 28.6899 178.6468 115 R 3.8773 7.7104 117.6661 59.3357 30.1122 178.3784 116 E 3.9605 7.7486 117.7713 58.3145 29.7369 176.4855 117 K 3.9347 7.1931 122.8103 56.0444 34.5093 173.9964 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 53 M 8.29 4.42 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 54 T 7.93 4.06 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 1.21 0.00 0.00 55 L 9.14 3.92 0.00 1.72 1.72 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.08 4.35 0.00 2.77 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 57 E 8.15 3.99 0.00 2.07 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 2.31 2.36 0.00 58 S 8.07 4.16 0.00 4.14 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 59 C 8.32 4.18 0.00 3.14 3.25 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 60 K 8.11 3.87 0.00 1.97 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 61 I 7.95 3.76 1.90 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 1.54 0.80 0.94 0.00 0.00 62 L 7.68 4.35 0.00 1.70 1.76 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.83 4.16 0.00 2.89 2.88 0.00 0.00 6.92 8.08 0.00 0.00 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 I 8.55 4.51 1.89 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 1.32 0.81 0.92 0.00 0.00 65 E 9.19 4.47 0.00 1.96 1.93 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 2.20 2.20 0.00 66 E 8.97 3.93 0.00 2.04 1.96 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 2.39 2.33 0.00 67 S 8.00 4.21 0.00 4.02 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 68 K 8.06 4.21 0.00 1.92 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.38 7.81 69 G 8.39 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 0.00 0.00 0.00 70 D 7.86 4.53 0.00 2.86 2.75 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 71 L 7.12 4.39 0.00 1.67 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.60 5.01 0.00 2.97 2.83 0.00 0.00 5.75 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 73 M 8.56 3.98 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 74 D 8.05 4.28 0.00 2.78 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 75 K 8.40 3.96 0.00 1.98 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 76 I 8.15 3.74 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.89 0.00 0.00 77 N 8.55 4.40 0.00 2.97 2.91 0.00 0.00 7.08 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.40 4.43 0.00 2.81 2.89 0.00 0.00 7.06 7.26 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 79 R 8.42 4.02 0.00 2.11 2.09 0.00 3.45 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 80 F 8.60 4.14 0.00 3.16 3.33 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 81 N 8.50 4.17 0.00 2.95 2.94 0.00 0.00 6.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.86 4.04 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.00 3.76 0.00 1.77 1.65 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.98 3.93 0.00 1.92 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.84 3.89 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 86 V 7.30 3.52 1.66 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 0.64 0.00 0.00 0.45 0.00 0.00 87 N 7.14 4.67 0.00 2.61 2.68 0.00 0.00 6.95 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.28 4.43 0.00 2.50 2.43 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 89 K 8.44 4.81 0.00 2.00 2.16 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.37 7.81 90 E 8.51 3.87 0.00 1.96 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 0.00 2.31 2.33 0.00 91 K 7.91 4.47 0.00 1.72 1.73 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 92 G 8.11 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.54 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.38 4.54 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.93 4.13 0.00 3.13 3.07 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 96 Y 8.18 3.88 0.00 3.18 2.99 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 97 L 8.09 3.96 0.00 1.87 1.69 0.95 0.81 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 98 Q 8.35 3.88 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 99 S 7.97 3.94 0.00 3.65 3.63 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 0.00 100 K 7.77 3.90 0.00 1.84 1.79 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.40 7.81 101 V 7.75 3.67 2.41 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 1.15 0.00 0.00 1.00 0.00 0.00 102 Y 8.61 4.34 0.00 3.47 3.18 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 0.00 103 R 8.72 3.88 0.00 1.83 1.96 0.00 3.38 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 104 A 8.75 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.19 3.87 1.09 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 0.00 0.00 106 E 8.05 3.58 0.00 1.57 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 2.18 2.13 0.00 107 R 7.92 3.87 0.00 1.94 2.12 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 108 L 8.06 4.05 0.00 1.71 1.69 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.56 3.92 0.00 1.68 1.76 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.39 7.81 110 W 8.39 4.03 0.00 3.45 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 0.00 111 E 8.43 3.85 0.00 2.34 2.16 0.00 0.00 0.00 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 2.39 0.00 112 L 8.17 3.89 0.00 1.80 1.62 0.89 1.29 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 0.00 113 A 7.85 3.90 1.09 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 0.00 0.00 114 Q 7.47 3.72 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 1.67 2.29 0.00 115 R 7.71 3.88 0.00 1.70 1.96 0.00 3.13 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 116 E 7.75 3.96 0.00 1.92 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 2.27 0.00 117 K 7.19 3.93 0.00 1.81 1.77 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.19 1.07 7.81