NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3515 8.3044 120.3484 55.3785 33.3929 174.5949 2 E 4.3312 8.3723 125.5442 54.1105 31.2670 170.8202 3 V 3.6694 8.3665 117.8270 61.1089 33.0794 176.3871 4 A 4.1699 8.3381 126.1898 51.7598 17.2282 176.9597 5 M 4.5845 8.3332 120.9490 54.5486 33.5302 175.9215 6 V 4.4249 8.0732 117.3844 59.5877 33.6995 176.0532 7 S 4.5964 8.2577 116.3084 57.6775 65.8690 175.0640 8 A 4.6538 8.0477 124.5364 51.4955 19.5634 177.5406 9 E 4.2055 7.7099 125.8333 52.5959 28.6150 175.4926 10 S 4.4567 7.3397 108.3132 58.1300 63.8894 176.5301 11 S 4.6288 8.3282 122.2240 57.9001 63.8112 174.5598 12 G 3.9200 7.1146 114.9902 45.8120 0.0000 173.8617 13 C 4.8195 7.7446 121.4716 58.1198 32.6939 175.1066 14 N 4.4045 8.4042 118.3913 54.7956 39.4509 174.6944 15 S 4.7462 7.6147 112.9360 57.9541 62.8626 175.1543 16 H 4.3769 7.8519 115.8727 57.6410 28.6034 175.5450 17 M 4.1173 7.3640 119.4276 54.5558 32.5433 174.4875 18 P 4.4249 0.0000 0.0000 62.4662 32.1951 175.2334 19 Y 4.1351 8.5319 121.9733 59.4893 39.4209 175.3578 20 G 4.0210 8.1463 113.8886 46.1436 0.0000 175.1012 21 Y 3.8806 8.1140 120.1010 60.3537 38.5813 177.0440 22 A 4.2580 8.0181 118.6175 53.2349 18.9387 177.7993 23 A 4.4766 7.5168 117.8015 51.7207 19.9117 177.4997 24 Q 3.9846 7.6071 118.2891 57.6500 29.5307 177.4411 25 A 3.7905 7.4314 121.4007 55.2483 18.5297 179.5158 26 R 3.8355 7.8231 116.4163 59.3527 30.0074 178.3569 27 A 4.0032 7.3601 119.3769 54.9247 18.3862 179.2817 28 R 4.1125 8.0992 116.4173 58.7350 30.5320 178.7035 29 E 3.9488 8.5853 120.0018 59.0061 29.5617 178.9934 30 R 3.9811 8.4293 116.7011 59.0360 28.8652 178.4844 31 E 3.8771 7.9466 120.1372 59.0118 29.3348 178.6930 32 R 3.9538 7.7790 117.8395 58.6212 30.1465 177.6645 33 L 4.4623 7.8302 116.8608 55.9040 42.5629 177.0370 34 A 4.4844 8.3021 120.0902 51.8990 18.9544 175.7809 35 H 4.1809 7.5933 116.0947 57.4134 27.6546 175.4714 36 S 4.2805 8.3261 119.1417 58.5328 62.9621 174.3398 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 4.35 0.00 1.97 2.03 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 2.60 0.00 2 E 8.37 4.33 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 3 V 8.37 3.67 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 0.82 0.00 0.00 0.93 0.00 0.00 4 A 8.34 4.17 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 5 M 8.33 4.58 0.00 1.97 2.00 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 2.48 2.51 0.00 6 V 8.07 4.42 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 0.83 0.00 0.00 0.93 0.00 0.00 7 S 8.26 4.60 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.05 4.65 1.23 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 0.00 0.00 0.00 9 E 7.71 4.21 0.00 1.94 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 2.29 0.00 10 S 7.34 4.46 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.33 4.63 0.00 3.81 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 12 G 7.11 3.92 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 0.00 0.00 0.00 13 C 7.74 4.82 0.00 2.89 2.85 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 14 N 8.40 4.40 0.00 2.69 2.87 0.00 0.00 7.06 7.62 0.00 0.00 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 7.61 4.75 0.00 3.88 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 H 7.85 4.38 0.00 3.26 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.36 4.12 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.34 0.00 18 P 0.00 4.42 0.00 2.28 2.20 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 19 Y 8.53 4.14 0.00 2.99 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 20 G 8.15 4.02 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 0.00 0.00 0.00 21 Y 8.11 3.88 0.00 3.18 3.02 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 22 A 8.02 4.26 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 23 A 7.52 4.48 1.16 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 0.00 0.00 0.00 0.00 0.00 24 Q 7.61 3.98 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 25 A 7.43 3.79 1.18 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 0.00 0.00 26 R 7.82 3.84 0.00 1.88 1.88 0.00 3.20 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 27 A 7.36 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.11 0.00 2.07 1.93 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 29 E 8.59 3.95 0.00 2.09 1.91 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 0.00 2.29 2.29 0.00 30 R 8.43 3.98 0.00 2.08 2.28 0.00 2.87 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 31 E 7.95 3.88 0.00 2.08 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 2.31 2.37 0.00 32 R 7.78 3.95 0.00 1.86 2.05 0.00 3.29 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.83 4.46 0.00 1.66 1.71 0.92 0.75 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 34 A 8.30 4.48 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 35 H 7.59 4.18 0.00 3.29 3.60 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.33 4.28 0.00 3.93 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