NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6687 8.0501 120.3567 62.8799 31.7148 175.2816 2 A 3.9765 6.8700 127.8476 48.3966 20.9742 175.5969 3 Y 4.1447 8.1058 119.6181 60.1052 38.1298 177.1145 4 W 4.4139 6.5952 117.5528 58.7895 28.7343 178.4250 5 R 4.1594 6.5151 120.5567 58.5832 29.3161 178.0059 6 Q 3.9565 7.8104 118.3709 58.7344 29.1053 177.2860 7 A 4.3563 7.2597 119.4302 52.3995 18.5912 178.0074 8 G 3.8994 8.0234 105.7651 45.3559 0.0000 173.6873 9 L 4.6053 7.8784 119.5588 53.5116 43.1933 176.3394 10 S 4.8573 8.2022 116.3574 57.1251 66.5268 174.6873 11 Y 3.6163 8.5947 121.9726 60.3246 38.4789 177.8773 12 I 3.6694 7.8438 120.7044 64.3323 37.3510 178.0662 13 R 3.7369 7.6903 118.9895 59.4838 29.9597 177.5038 14 Y 3.5387 7.6681 119.5580 60.9080 38.4974 178.4592 15 S 3.7573 7.7792 113.7821 60.9727 62.3715 175.8977 16 Q 3.8377 7.6677 122.4990 58.9963 28.8016 178.1918 17 I 3.5828 7.3902 120.7086 64.4653 37.0669 178.0466 18 C 3.8272 7.5120 117.3043 62.7934 27.8149 176.1890 19 A 3.9141 7.9337 122.1921 54.9255 17.9209 179.5850 20 K 3.8144 8.0779 117.9451 59.5989 32.3987 178.9223 21 A 3.9853 8.0260 121.0802 55.1308 18.0389 179.7976 22 V 3.6272 7.3629 115.6216 66.0117 31.8237 178.3196 23 R 4.0795 7.8054 117.7234 59.2437 29.8454 178.3000 24 D 4.5761 8.4153 116.1346 55.6163 40.8405 177.2326 25 A 4.6326 7.1562 118.8701 50.8012 19.9319 176.6432 26 L 4.1935 7.2416 118.1573 54.3961 42.6323 176.6006 27 K 4.5878 8.2647 119.2089 55.5523 34.7009 176.9120 28 T 4.8219 8.1693 116.9623 62.3846 65.7045 171.9363 29 E 4.6277 7.7318 128.4452 55.9639 34.6958 176.5744 30 F 4.7561 7.8199 115.8511 57.3443 40.8622 177.5254 31 K 4.0377 8.2134 121.4582 58.8454 32.2897 178.3724 32 A 3.9862 8.0944 120.8698 54.7313 18.3261 177.4615 33 N 4.8650 7.8653 111.2489 53.2939 39.0415 176.5533 34 A 4.1049 8.2771 123.6500 55.8598 18.7356 180.5083 35 M 3.9873 8.2961 113.7438 58.8002 31.9764 178.6350 36 K 4.0801 8.0033 115.2854 58.5218 32.5317 176.7895 37 T 4.4408 7.3529 115.0558 62.2044 71.3104 173.6716 38 S 3.5766 8.4109 113.2101 59.7130 61.0742 170.8858 39 G 4.0915 7.5309 108.4283 45.1396 0.0000 172.5375 40 S 4.6781 7.9047 112.0924 57.5097 62.8152 175.7382 41 T 4.0038 8.0760 118.8691 67.7129 68.8951 176.0842 42 I 3.8341 7.6214 120.7533 61.4989 37.6338 175.6916 43 K 4.6995 8.2154 123.0307 54.1756 35.7488 176.2920 44 I 3.8941 8.1828 115.0345 60.6675 38.3504 175.8555 45 V 4.1793 8.1840 121.5700 61.1653 32.1843 174.9560 46 K 4.4322 8.2635 125.9883 55.2790 34.9591 176.8849 47 V 3.6558 8.2285 111.5665 62.0224 31.6583 174.0023 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 V 8.05 3.67 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 0.87 0.00 0.00 0.84 0.00 0.00 2 A 6.87 3.98 0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.11 4.14 0.00 3.26 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 4 W 6.60 4.41 0.00 3.56 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 5 R 6.52 4.16 0.00 0.98 1.53 0.00 3.25 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 6 Q 7.81 3.96 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 7 A 7.26 4.36 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.02 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 9 L 7.88 4.61 0.00 2.33 1.77 1.04 0.79 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 10 S 8.20 4.86 0.00 4.15 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 11 Y 8.59 3.62 0.00 3.23 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 12 I 7.84 3.67 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.07 0.91 0.00 0.00 13 R 7.69 3.74 0.00 1.88 2.04 0.00 3.17 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 14 Y 7.67 3.54 0.00 1.67 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 0.00 0.00 0.00 15 S 7.78 3.76 0.00 3.38 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 16 Q 7.67 3.84 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 17 I 7.39 3.58 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.77 0.00 0.00 18 C 7.51 3.83 0.00 2.79 2.76 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 19 A 7.93 3.91 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 20 K 8.08 3.81 0.00 1.92 1.89 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.42 7.81 21 A 8.03 3.99 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 22 V 7.36 3.63 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 0.82 0.00 0.00 0.95 0.00 0.00 23 R 7.81 4.08 0.00 2.02 1.94 0.00 3.16 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 1.86 0.00 24 D 8.42 4.58 0.00 2.58 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.16 4.63 1.33 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 26 L 7.24 4.19 0.00 1.78 1.72 0.97 0.79 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 27 K 8.26 4.59 0.00 1.98 1.98 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.59 1.63 7.81 28 T 8.17 4.82 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 1.20 0.00 0.00 29 E 7.73 4.63 0.00 1.74 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.95 0.00 30 F 7.82 4.76 0.00 3.12 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 31 K 8.21 4.04 0.00 2.02 1.83 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.51 7.81 32 A 8.09 3.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.86 0.00 2.82 2.86 0.00 0.00 6.98 6.91 0.00 0.00 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 A 8.28 4.10 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 35 M 8.30 3.99 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 36 K 8.00 4.08 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 T 7.35 4.44 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 38 S 8.41 3.58 0.00 4.08 3.94 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 39 G 7.53 4.09 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 0.00 40 S 7.90 4.68 0.00 3.92 3.85 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 0.00 0.00 0.00 41 T 8.08 4.00 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 42 I 7.62 3.83 1.87 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 1.41 0.74 0.91 0.00 0.00 43 K 8.22 4.70 0.00 1.68 1.65 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.60 7.81 44 I 8.18 3.89 1.87 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 1.30 0.80 0.91 0.00 0.00 45 V 8.18 4.18 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 46 K 8.26 4.43 0.00 1.87 1.78 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.49 7.81 47 V 8.23 3.66 2.08 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 0.65 0.00 0.00 0.93 0.00 0.00