NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2628 0.0000 0.0000 62.3517 32.5080 176.8085 17 S 3.7239 8.9715 104.2749 59.2641 59.1795 167.5329 18 R 4.7048 7.6955 113.9612 55.7490 31.9283 177.5475 19 K 4.1678 8.6208 118.2437 56.5197 33.9195 176.2495 20 A 4.2649 6.7486 117.8637 52.0139 22.5155 175.1765 21 K 4.6207 7.7375 115.7662 55.4847 35.4630 178.2684 22 V 3.1050 7.9904 124.9955 65.6169 32.5569 178.0188 23 K 4.1045 8.1795 119.9766 59.6455 32.2846 177.4543 24 A 4.1698 8.0546 120.4697 55.9582 18.6118 179.1449 25 T 4.2120 7.0757 110.4650 60.9898 66.0961 172.9240 26 L 4.5363 6.6412 123.7580 55.2847 46.1195 172.3013 27 G 4.0846 8.2095 109.9482 44.4783 0.0000 172.5972 28 E 4.0293 8.9649 124.3493 56.3823 29.6717 176.1248 29 F 4.8724 7.7226 117.8397 55.2009 41.0899 174.0635 30 D 4.5834 8.6445 122.0623 52.7551 40.1532 176.7160 31 L 4.1403 8.4676 127.7135 57.5814 41.7338 178.5447 32 R 4.2291 8.0403 115.3299 55.7273 30.2852 175.7287 33 D 4.4394 8.5721 118.6954 53.9710 39.8777 175.3346 34 Y 4.6380 8.0116 122.2167 57.1699 37.9813 176.5969 35 R 4.4818 7.1495 119.4523 56.7415 32.9242 177.1424 36 N 4.6562 7.5377 117.0507 52.4447 34.6592 174.6673 37 V 3.5639 7.6743 125.9786 66.2323 31.8522 176.4039 38 E 3.9680 8.2546 115.2385 59.6105 29.2926 178.9953 39 V 3.7929 7.5753 118.9053 63.9989 31.9377 177.9888 40 L 3.9672 7.9892 119.8693 57.7506 41.4642 179.5970 41 K 3.3955 8.6042 118.4082 59.9415 31.7240 179.2085 42 R 3.9053 7.7391 117.1633 58.4038 30.0054 177.3487 43 F 4.5148 9.0920 117.5642 57.0087 39.1433 174.9225 44 L 5.1287 7.3017 120.9170 52.5644 43.5999 176.6877 45 S 4.4551 8.7708 117.3509 57.6322 63.9055 173.9347 46 E 4.0944 8.7226 119.0900 59.6978 29.8164 178.5049 47 T 4.4543 7.6511 119.8711 63.7536 68.7811 175.6394 48 G 4.1309 8.5710 118.8099 46.2036 0.0000 172.8924 49 K 4.3120 7.7794 119.2731 55.7535 33.5411 176.4911 50 I 4.3704 8.2501 124.6342 60.7948 37.5672 176.0024 51 L 4.1562 8.7346 128.1822 54.4334 42.2226 175.9977 52 P 4.5224 0.0000 0.0000 62.2146 32.4015 177.7179 53 R 4.6784 8.9261 120.9395 58.9167 29.7513 179.2054 54 R 4.2098 8.0473 113.6781 58.0247 29.4627 177.5306 55 R 4.4325 7.5721 117.9224 58.2073 31.7995 177.9378 56 T 3.9331 8.1192 109.9861 63.5487 68.3774 175.9265 57 G 3.6664 8.5682 107.7763 45.6284 0.0000 173.1222 58 L 4.6174 7.7784 119.5200 53.4321 43.5665 176.3348 59 S 4.6977 8.4947 115.0500 56.7352 66.0814 174.9328 60 A 3.9434 8.4305 123.4570 55.4456 17.7411 179.8540 61 K 3.8730 7.9052 115.8221 59.7605 32.6097 178.3217 62 E 4.0180 8.0941 118.5530 59.4588 29.5571 178.7897 63 Q 3.9180 8.7220 119.6552 59.7899 28.5554 179.3467 64 R 3.9559 8.0910 119.2994 59.0936 30.0677 178.6073 65 I 3.6511 8.0269 120.2447 63.8642 37.2871 177.4988 66 L 3.7812 7.9719 120.5554 58.3744 41.6950 178.3817 67 A 3.9491 7.7366 119.7187 55.6810 18.1649 179.9250 68 K 3.9630 7.6276 115.9051 59.5683 31.9975 179.9482 69 T 3.9073 7.9334 116.2587 66.6583 68.3830 176.3730 70 I 3.7418 8.1786 121.9158 64.8278 37.3385 178.3452 71 K 3.7668 8.1231 118.7106 59.6950 31.8322 179.6209 72 R 3.7913 7.6894 117.9398 59.0289 29.9958 178.7845 73 A 4.0025 7.9523 120.4850 55.4031 18.4899 179.6397 74 R 4.2783 7.9095 118.0638 58.9466 29.7767 179.4027 75 I 3.9874 7.3284 117.7394 64.2820 37.2443 178.0461 76 L 4.2305 7.6460 117.8989 55.7017 41.5495 178.2038 77 G 4.0365 7.8113 107.2734 45.2120 0.0000 174.6406 78 L 4.1598 7.8088 119.9178 56.5462 42.1411 177.1646 79 L 4.8372 7.4608 116.7590 51.8696 45.2462 173.8835 80 P 4.8847 0.0000 0.0000 62.3365 32.4656 176.2037 81 F 4.3352 8.6028 117.5843 59.3896 39.6660 176.0882 82 T 4.3458 7.2261 110.7839 61.4146 69.6611 171.6481 83 E 4.8399 8.5776 125.3295 54.1942 33.3276 175.7036 84 K 4.2457 8.3672 120.3096 55.7568 33.0120 176.9409 85 L 4.1805 8.3199 125.1257 54.6564 42.7973 176.0766 86 V 4.2980 8.6386 124.3694 60.7888 33.8895 174.0166 87 R 4.8648 8.8121 121.6462 53.1659 30.3326 174.6496 88 K 3.9550 8.2717 120.2118 57.4937 32.6235 174.1280 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 16 P 0.00 4.26 0.00 2.19 1.47 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.97 3.72 0.00 4.12 4.05 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 18 R 7.70 4.70 0.00 1.81 1.89 0.00 3.41 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 19 K 8.62 4.17 0.00 1.81 1.91 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.47 7.81 20 A 6.75 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.62 0.00 1.81 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.67 7.81 22 V 7.99 3.10 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 -0.56 0.00 0.00 0.69 0.00 0.00 23 K 8.18 4.10 0.00 2.06 1.95 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.61 7.81 24 A 8.05 4.17 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 25 T 7.08 4.21 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 1.17 0.00 0.00 26 L 6.64 4.54 0.00 1.78 1.99 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.21 4.08 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 0.00 28 E 8.96 4.03 0.00 1.97 1.92 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 2.30 2.32 0.00 29 F 7.72 4.87 0.00 3.07 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 30 D 8.64 4.58 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 31 L 8.47 4.14 0.00 1.65 1.75 0.87 0.97 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 32 R 8.04 4.23 0.00 1.78 2.19 0.00 3.07 0.00 0.00 3.84 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 D 8.57 4.44 0.00 2.85 2.61 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 34 Y 8.01 4.64 0.00 3.06 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 35 R 7.15 4.48 0.00 1.50 1.88 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.00 36 N 7.54 4.66 0.00 3.13 2.70 0.00 0.00 6.61 7.59 0.00 0.00 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 V 7.67 3.56 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 1.02 0.00 0.00 0.97 0.00 0.00 38 E 8.25 3.97 0.00 2.13 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 0.00 2.27 2.33 0.00 39 V 7.58 3.79 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 0.79 0.00 0.00 0.56 0.00 0.00 40 L 7.99 3.97 0.00 1.85 1.77 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.60 3.40 0.00 1.72 1.89 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.75 7.81 42 R 7.74 3.91 0.00 1.75 1.57 0.00 3.15 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 43 F 9.09 4.51 0.00 3.10 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 44 L 7.30 5.13 0.00 1.57 1.56 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.77 4.46 0.00 3.94 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 46 E 8.72 4.09 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 2.40 0.00 47 T 7.65 4.45 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 1.31 0.00 0.00 48 G 8.57 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 0.00 0.00 0.00 49 K 7.78 4.31 0.00 1.79 1.75 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.25 4.37 1.90 0.00 0.00 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 1.36 0.48 0.95 0.00 0.00 51 L 8.73 4.16 0.00 1.64 1.65 0.92 1.33 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 52 P 0.00 4.52 0.00 2.19 1.98 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 R 8.93 4.68 0.00 1.88 2.02 0.00 3.68 0.00 0.00 3.48 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.58 0.00 54 R 8.05 4.21 0.00 1.95 2.08 0.00 3.05 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 55 R 7.57 4.43 0.00 2.01 1.95 0.00 3.29 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 56 T 8.12 3.93 4.63 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 1.57 0.00 0.00 57 G 8.57 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.78 4.62 0.00 1.73 1.69 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.49 4.70 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.91 3.87 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.52 7.81 62 E 8.09 4.02 0.00 2.31 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 2.29 2.30 0.00 63 Q 8.72 3.92 0.00 2.17 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 64 R 8.09 3.96 0.00 2.13 2.06 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 I 8.03 3.65 1.97 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 1.40 0.89 0.91 0.00 0.00 66 L 7.97 3.78 0.00 1.57 1.80 0.35 0.85 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 67 A 7.74 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.96 0.00 1.64 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 69 T 7.93 3.91 4.42 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 1.34 0.00 0.00 70 I 8.18 3.74 1.98 0.00 0.00 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 1.49 0.79 0.85 0.00 0.00 71 K 8.12 3.77 0.00 1.78 1.88 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 72 R 7.69 3.79 0.00 1.93 1.60 0.00 3.03 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 73 A 7.95 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.91 4.28 0.00 1.49 0.66 0.00 2.84 0.00 0.00 2.45 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 75 I 7.33 3.99 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 0.96 0.00 0.00 76 L 7.65 4.23 0.00 1.84 1.77 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.81 4.04 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 0.00 0.00 0.00 78 L 7.81 4.16 0.00 1.77 1.75 0.98 0.79 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 79 L 7.46 4.84 0.00 1.52 1.40 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.88 0.00 2.19 2.05 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 81 F 8.60 4.34 0.00 3.04 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 82 T 7.23 4.35 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 1.28 0.00 0.00 83 E 8.58 4.84 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 84 K 8.37 4.25 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.32 4.18 0.00 1.59 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.64 4.30 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 0.90 0.00 0.00 0.98 0.00 0.00 87 R 8.81 4.86 0.00 1.92 2.10 0.00 3.57 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 88 K 8.27 3.96 0.00 1.78 1.72 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.18 1.22 7.81