NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.4675 8.3349 117.0827 58.5360 63.7704 174.2209 26 H 4.7598 8.3916 108.0929 55.6861 29.3203 171.9846 27 M 4.7175 8.4309 116.9239 53.4984 33.7273 175.5127 28 F 5.0592 9.3548 123.0512 55.8025 42.3841 173.9296 29 Y 5.1755 9.7216 122.9913 56.6340 39.4465 174.5834 30 A 5.1061 9.3842 127.8432 50.6052 21.4501 175.9487 31 V 4.9260 8.9382 116.3765 59.8653 33.5683 176.7079 32 R 4.1780 9.5487 127.8631 58.4874 31.0815 176.8299 33 R 4.5553 7.8737 119.0873 54.6203 33.5642 174.9708 34 G 3.0177 7.8519 113.1474 45.3746 0.0000 172.2720 35 R 3.9953 7.9639 118.3633 58.4889 30.0321 177.9163 36 K 4.5519 7.4176 114.5180 54.6816 35.2874 176.5830 37 T 4.4745 8.6371 114.2164 60.7567 70.6195 172.9046 38 G 3.5706 7.3897 106.2786 43.9998 0.0000 172.2738 39 V 4.5167 7.4209 119.2663 60.8282 33.7961 175.8068 40 F 4.9192 9.3221 125.0269 55.9258 41.9478 175.7993 41 L 4.7927 8.6091 120.8690 55.3789 42.4608 177.1757 42 T 4.6933 7.2679 106.9365 58.7065 73.2516 174.5380 43 W 3.2525 8.1546 131.1213 60.1985 30.6102 177.8407 44 N 3.8144 7.9340 116.1042 56.3874 37.7315 177.0042 45 E 3.6961 7.5154 118.3914 59.2122 29.8014 178.6201 46 C 3.4206 7.2283 118.2549 62.0535 31.6307 175.3055 47 R 2.7079 7.0273 120.2339 59.1601 29.1543 178.2383 48 A 4.0262 6.8841 118.5129 54.5746 18.4896 178.7275 49 Q 4.0280 7.5495 115.6882 56.5828 29.2416 177.6102 50 V 4.1919 6.8230 111.3681 61.3362 34.0179 175.4956 51 D 4.5302 8.1026 120.5137 55.6890 40.7916 176.3624 52 R 3.8694 8.7558 121.2874 56.8843 27.9264 175.2366 53 F 4.5230 8.1611 121.2708 55.4835 40.1979 173.3769 54 P 4.2835 0.0000 0.0000 64.1750 31.3267 175.7808 55 A 3.7860 8.9232 125.3418 52.6571 16.1217 176.8517 56 A 4.6411 7.8015 119.9846 54.6659 19.7234 178.9385 57 R 4.7145 9.1860 119.9575 55.8500 32.9087 173.8233 58 F 5.7553 8.4801 120.4296 56.3016 41.1230 173.2686 59 K 4.2234 9.0169 119.7230 55.1466 35.8381 174.1046 60 K 4.5561 7.9296 126.5900 55.1790 33.4439 175.5252 61 F 4.8521 9.6299 125.4143 55.5841 42.8654 175.9360 62 A 5.1138 9.2505 122.8022 53.5940 18.9655 178.4574 63 T 5.0019 7.7721 105.7171 59.0380 73.2647 174.2673 64 E 2.9176 7.6493 122.8630 59.2986 29.6639 178.8215 65 D 4.3862 7.8183 117.4258 57.4632 41.2527 177.9460 66 E 3.8560 8.0063 118.7227 58.9099 29.3276 179.2438 67 A 3.2635 7.4079 121.1655 54.7336 18.3555 179.7429 68 W 4.0380 7.9179 117.2891 59.6348 28.9684 178.4977 69 A 4.0224 7.9361 120.5843 55.2885 17.5825 179.5113 70 F 4.0499 7.5391 117.8054 61.4309 39.5397 177.3002 71 V 3.7867 7.8673 117.0009 65.8672 31.3829 177.7639 72 R 4.1892 8.2456 116.9300 57.7480 30.1174 177.1725 73 K 4.1377 7.4021 122.5225 56.8919 32.3095 176.0184 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 25 S 8.33 4.47 0.00 3.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.39 4.76 0.00 3.10 3.45 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.43 4.72 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 28 F 9.35 5.06 0.00 3.14 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 29 Y 9.72 5.18 0.00 3.11 3.16 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 30 A 9.38 5.11 1.35 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 0.00 0.00 0.00 31 V 8.94 4.93 2.19 0.00 0.00 0.00 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 1.09 0.00 0.00 32 R 9.55 4.18 0.00 1.68 2.10 0.00 3.07 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 33 R 7.87 4.56 0.00 1.96 1.83 0.00 3.45 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 34 G 7.85 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 0.00 0.00 0.00 35 R 7.96 4.00 0.00 1.80 1.99 0.00 3.28 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 36 K 7.42 4.55 0.00 2.02 1.80 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.49 7.81 37 T 8.64 4.47 4.47 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 1.31 0.00 0.00 38 G 7.39 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 4.52 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 -0.66 0.00 0.00 40 F 9.32 4.92 0.00 3.08 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 41 L 8.61 4.79 0.00 1.68 1.71 1.00 1.04 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 42 T 7.27 4.69 4.17 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 1.23 0.00 0.00 43 W 8.15 3.25 0.00 3.09 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 44 N 7.93 3.81 0.00 2.61 2.68 0.00 0.00 7.17 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 45 E 7.52 3.70 0.00 1.90 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 0.00 2.28 2.20 0.00 46 C 7.23 3.42 0.00 2.86 2.70 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 0.00 0.00 0.00 0.00 47 R 7.03 2.71 0.00 0.67 1.14 0.00 2.79 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.44 0.00 48 A 6.88 4.03 1.08 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 0.00 0.00 49 Q 7.55 4.03 0.00 1.69 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 50 V 6.82 4.19 1.75 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 0.46 0.00 0.00 0.10 0.00 0.00 51 D 8.10 4.53 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.76 3.87 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 53 F 8.16 4.52 0.00 3.02 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 54 P 0.00 4.28 0.00 1.77 1.89 0.00 2.76 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 55 A 8.92 3.79 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 56 A 7.80 4.64 1.63 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 0.00 0.00 57 R 9.19 4.71 0.00 2.07 1.92 0.00 3.29 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 58 F 8.48 5.76 0.00 3.35 3.10 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 59 K 9.02 4.22 0.00 1.04 0.74 0.00 1.31 0.00 0.00 1.23 0.00 0.00 2.15 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.77 7.81 60 K 7.93 4.56 0.00 1.24 1.24 0.00 1.43 0.00 0.00 1.13 0.00 0.00 2.43 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.93 0.58 7.81 61 F 9.63 4.85 0.00 2.94 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 62 A 9.25 5.11 1.35 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 0.00 0.00 0.00 63 T 7.77 5.00 4.26 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 1.34 0.00 0.00 64 E 7.65 2.92 0.00 1.16 1.60 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 2.49 2.24 0.00 65 D 7.82 4.39 0.00 2.76 2.62 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 0.00 0.00 0.00 0.00 66 E 8.01 3.86 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 67 A 7.41 3.26 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.92 4.04 0.00 3.43 3.23 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 69 A 7.94 4.02 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 70 F 7.54 4.05 0.00 2.67 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.79 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 1.07 0.00 0.00 0.86 0.00 0.00 72 R 8.25 4.19 0.00 2.01 2.00 0.00 3.47 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 73 K 7.40 4.14 0.00 1.62 1.60 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81