NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 4.6805 8.3244 119.3976 57.5523 40.2546 173.7753 5 V 4.3183 8.6477 121.8130 63.6363 36.3019 175.2887 6 N 4.9448 8.1713 114.5212 53.1658 38.7958 176.0730 7 E 5.0642 9.1505 115.6094 54.8800 33.7227 171.9550 8 W 4.8136 8.9884 128.7346 55.4232 33.3287 173.9354 9 A 4.2238 7.2594 125.9372 49.8652 22.4671 174.5943 10 A 2.5800 7.9641 120.8248 49.6748 23.2466 175.0418 11 E 4.0321 5.9000 123.0419 54.9345 31.0486 175.1852 12 I 4.5344 7.9342 126.9509 59.6684 40.7638 172.8535 13 P 4.4288 0.0000 0.0000 65.2460 31.7349 177.5730 14 G 3.9747 7.9370 105.1857 45.9736 0.0000 175.6855 15 G 3.8245 7.8213 109.0790 45.5468 0.0000 175.7356 16 Q 4.3482 7.9252 121.8583 57.8572 28.3195 177.8512 17 E 3.9969 8.0111 123.2910 59.3351 30.0078 178.9682 18 A 4.1036 7.8084 120.3602 54.5373 18.7026 179.0631 19 A 3.8302 8.2805 120.5818 55.3999 18.5744 179.9913 20 S 4.2522 7.9430 111.7588 61.3641 62.6423 176.2130 21 A 4.2885 7.3729 123.0119 54.6998 18.4627 178.6757 22 I 3.6946 8.1621 119.7196 63.0273 37.1090 177.6808 23 A 3.8404 7.0679 121.0965 55.7426 17.9857 179.5211 24 E 3.7537 7.4200 114.9668 59.9982 29.5730 178.0502 25 E 4.0948 8.7395 120.7118 57.7930 29.3732 178.0610 26 L 3.8987 7.6453 123.9899 56.8925 42.0280 177.5299 27 G 3.6943 8.7872 106.9143 45.5867 0.0000 170.7829 28 Y 4.6642 8.7032 118.6872 57.6533 43.4678 173.9881 29 D 4.9433 8.9985 119.7651 53.1548 42.5399 176.0069 30 L 5.1786 8.6412 126.3309 54.5922 43.6115 176.4911 31 L 4.5215 9.6423 126.2351 52.8730 43.4213 176.7208 32 G 3.1833 8.0200 117.9062 44.2042 0.0000 172.8540 33 Q 4.4109 7.4297 118.6049 54.8840 29.4241 174.4303 34 I 3.7673 8.0061 117.4058 61.3565 38.0489 176.6095 35 G 4.3464 8.3000 116.1367 46.3126 0.0000 176.0893 36 S 4.2560 7.8150 116.4871 60.5104 63.4209 174.3021 37 L 4.3232 7.0126 116.8409 55.5004 42.3415 174.9837 38 E 4.4472 8.2108 116.6089 55.2594 31.2145 172.4929 39 N 4.5499 7.9089 125.8264 53.3574 42.8336 173.8148 40 H 4.4194 7.8216 120.1443 56.2437 30.5903 173.8008 41 Y 5.1805 9.0081 124.8845 56.7434 40.4720 174.9770 42 L 4.5667 8.7737 120.6677 54.6661 44.5311 174.5645 43 F 6.3000 9.0944 118.7539 55.3291 43.3150 174.3989 44 K 5.1077 8.7639 119.6890 55.2020 36.2547 176.1571 45 H 4.9465 8.8691 121.2413 54.5840 31.0114 175.3453 46 K 4.3231 7.6147 117.8490 56.4922 33.4974 175.4958 47 S 4.6359 8.2576 119.4518 58.8990 62.2942 174.4797 48 H 4.5962 7.2607 114.1068 56.6286 29.4587 176.1848 49 P 4.5378 0.0000 0.0000 61.6156 32.6196 174.0796 50 R 4.3078 8.1166 115.1499 56.3068 31.5086 177.0818 51 R 4.3755 7.9939 111.1270 56.7184 30.5986 173.7509 52 S 4.0876 9.2151 120.1691 59.9397 60.0316 172.0050 53 R 4.2859 8.3116 120.4298 57.0635 31.4394 175.5839 54 R 4.3762 7.5267 116.9991 53.8085 31.3666 175.1741 55 S 3.2591 8.1751 119.2683 57.7340 63.6471 176.6429 56 A 4.4467 8.2689 127.8588 52.8177 18.1407 174.4565 57 L 4.6610 7.4731 114.8531 57.6494 48.9257 176.9681 58 H 4.2909 7.9358 117.2692 56.7769 28.8141 175.7261 59 I 4.0017 7.9987 118.9015 61.3713 37.7738 175.1321 60 T 4.6031 7.8233 113.4805 62.1675 67.4477 174.5918 61 K 4.3962 7.5794 117.0021 57.9154 34.8110 177.5223 62 R 4.0844 7.6618 118.7791 56.3646 30.5127 177.8253 63 L 3.7964 7.3435 119.4889 58.5738 41.9372 178.4646 64 S 4.2261 7.6531 114.3132 61.2341 63.3102 175.4018 65 D 4.4253 7.8391 121.4191 57.3234 41.1425 177.6830 66 D 4.2412 7.8724 117.3666 56.4129 41.0650 177.3198 67 D 4.4895 8.3669 118.9752 56.8818 40.8496 177.9508 68 R 3.9177 7.3221 117.4917 59.4763 30.0262 178.4101 69 V 3.8324 7.1356 111.3387 65.0744 31.7042 176.2872 70 T 4.8264 8.0659 113.8111 63.0357 76.4400 173.2618 71 W 5.5347 8.0238 116.6728 55.3799 32.5528 173.6459 72 A 4.8394 8.8750 123.1387 50.5582 20.9094 174.8943 73 E 5.0449 8.9838 123.1005 54.5500 33.4060 174.4542 74 Q 4.7320 8.8221 122.8116 54.7000 31.6420 174.8564 75 Q 4.2264 7.1515 117.9615 54.5750 32.6227 174.8720 76 Y 4.4737 8.2236 120.7452 58.4332 39.1367 174.8572 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 4 F 8.32 4.68 0.00 2.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.32 2.30 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 0.91 0.00 0.00 0.97 0.00 0.00 6 N 8.17 4.94 0.00 2.86 2.20 0.00 0.00 6.74 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.15 5.06 0.00 2.24 2.13 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 2.17 2.39 0.00 8 W 8.99 4.81 0.00 3.36 2.91 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 0.00 0.00 0.00 9 A 7.26 4.22 0.87 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 0.00 0.00 0.00 0.00 0.00 10 A 7.96 2.58 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 5.90 4.03 0.00 2.02 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 2.28 2.65 0.00 12 I 7.93 4.53 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 1.01 0.00 0.00 13 P 0.00 4.43 0.00 2.10 2.11 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 14 G 7.94 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 15 G 7.82 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.93 4.35 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.55 6.72 0.00 0.00 0.00 0.00 0.00 2.66 2.36 0.00 17 E 8.01 4.00 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 18 A 7.81 4.10 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 19 A 8.28 3.83 0.55 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 0.00 0.00 0.00 0.00 0.00 20 S 7.94 4.25 0.00 4.12 4.23 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 21 A 7.37 4.29 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 22 I 8.16 3.69 1.13 0.00 0.00 1.00 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 0.65 0.70 0.00 0.00 23 A 7.07 3.84 1.17 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 0.00 0.00 24 E 7.42 3.75 0.00 2.03 1.98 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 2.32 2.39 0.00 25 E 8.74 4.09 0.00 2.06 1.83 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 2.26 2.32 0.00 26 L 7.65 3.90 0.00 1.97 1.76 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.66 0.00 2.66 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 29 D 9.00 4.94 0.00 3.01 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.64 5.18 0.00 1.71 1.71 1.66 0.79 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 31 L 9.64 4.52 0.00 1.59 1.53 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.02 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 0.00 0.00 0.00 33 Q 7.43 4.41 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 34 I 8.01 3.77 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 0.63 0.00 0.00 35 G 8.30 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 0.00 0.00 0.00 0.00 36 S 7.82 4.26 0.00 3.85 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 37 L 7.01 4.32 0.00 1.73 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.21 4.45 0.00 1.90 1.83 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 2.16 2.26 0.00 39 N 7.91 4.55 0.00 2.98 3.02 0.00 0.00 6.51 7.78 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 40 H 7.82 4.42 0.00 3.16 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.01 5.18 0.00 3.03 3.14 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 0.00 0.00 0.00 0.00 42 L 8.77 4.57 0.00 1.39 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.09 6.30 0.00 2.99 3.05 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 0.00 0.00 0.00 0.00 44 K 8.76 5.11 0.00 1.87 1.82 0.00 1.71 0.00 0.00 2.09 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.67 7.81 45 H 8.87 4.95 0.00 2.90 2.17 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.61 4.32 0.00 1.77 1.80 0.00 1.97 0.00 0.00 1.97 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.45 7.81 47 S 8.26 4.64 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.26 4.60 0.00 3.31 3.30 0.00 5.58 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 49 P 0.00 4.54 0.00 2.21 2.16 0.00 3.48 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 50 R 8.12 4.31 0.00 1.79 1.98 0.00 3.31 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 51 R 7.99 4.38 0.00 2.24 1.96 0.00 3.24 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 52 S 9.22 4.09 0.00 4.19 4.13 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 53 R 8.31 4.29 0.00 1.75 1.91 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 54 R 7.53 4.38 0.00 1.78 1.82 0.00 3.29 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 55 S 8.18 3.26 0.00 3.45 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.45 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.66 0.00 1.86 1.75 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.94 4.29 0.00 3.36 3.53 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 4.00 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.78 0.00 0.00 60 T 7.82 4.60 4.32 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 1.35 0.00 0.00 61 K 7.58 4.40 0.00 1.94 1.91 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 62 R 7.66 4.08 0.00 1.84 1.83 0.00 3.17 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 63 L 7.34 3.80 0.00 1.46 1.29 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.65 4.23 0.00 4.08 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 65 D 7.84 4.43 0.00 2.78 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 66 D 7.87 4.24 0.00 2.91 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 67 D 8.37 4.49 0.00 2.96 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 R 7.32 3.92 0.00 1.91 2.03 0.00 3.26 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 69 V 7.14 3.83 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 0.72 0.00 0.00 1.03 0.00 0.00 70 T 8.07 4.83 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 71 W 8.02 5.53 0.00 3.53 3.13 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 72 A 8.87 4.84 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 0.00 0.00 0.00 0.00 0.00 73 E 8.98 5.04 0.00 2.27 2.00 0.00 0.00 0.00 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 2.29 0.00 74 Q 8.82 4.73 0.00 1.87 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.48 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 75 Q 7.15 4.23 0.00 1.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 76 Y 8.22 4.47 0.00 3.15 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