NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1578 8.3101 121.7863 54.5278 34.0821 175.1513 20 A 5.0387 7.4652 134.7119 51.7668 18.8003 174.5426 21 K 4.2749 7.9266 121.2884 56.4343 34.2927 175.5894 22 V 4.6546 7.6665 115.9950 61.8741 33.1683 177.1591 23 K 3.7842 7.3801 120.4560 58.9881 32.2477 176.7591 24 A 4.5504 7.6740 118.9326 52.3813 20.5708 177.7886 25 T 4.0326 7.5436 112.5021 65.1588 68.5909 173.6909 26 L 4.6889 7.3532 119.8211 53.0022 46.2776 177.7596 27 G 3.9286 8.2303 109.0732 45.3317 0.0000 172.1794 28 E 4.4501 8.6126 118.7071 55.5489 30.8106 175.7781 29 F 5.0576 8.8607 116.1423 55.4361 41.2814 174.5081 30 D 4.5002 8.3875 123.0561 52.6874 39.3547 177.7720 31 L 3.5906 6.9151 119.8173 55.2041 39.8227 178.7989 32 R 4.2707 8.3154 121.7804 57.4079 31.4817 175.9577 33 D 4.4343 7.7325 116.3569 54.3247 41.8059 174.3371 34 Y 4.9906 7.0185 119.1240 56.4317 38.6307 176.2593 35 R 4.6740 7.8371 115.5443 57.2574 34.6364 176.6752 36 N 4.3636 8.6158 114.5005 55.0410 37.4213 181.1643 37 V 2.7457 7.9878 109.2455 61.1519 34.0034 176.9008 38 E 3.9648 8.3867 127.4026 60.2309 30.5084 178.6832 39 V 3.6590 8.4206 118.1246 66.6627 31.4270 177.7281 40 L 4.1626 8.3034 117.2635 58.7346 41.5550 180.0332 41 K 4.3444 8.7690 118.9107 59.3041 32.3900 177.7816 42 R 4.0147 7.7911 118.4408 59.1652 30.9159 179.4906 43 F 4.7284 9.1579 119.4620 57.0467 39.2784 175.9935 44 L 5.8277 9.1244 119.3322 53.6095 42.7314 180.0345 45 S 4.9413 8.7102 125.0100 59.1504 66.2383 177.2622 46 E 4.6472 8.3373 123.0523 57.2538 29.1226 177.4448 47 T 5.3843 7.6088 108.4167 60.3844 71.5159 175.4412 48 G 4.1799 8.4893 108.8173 44.9581 0.0000 173.2905 49 K 3.9953 7.8795 120.3279 56.0336 32.3750 176.4071 50 I 4.3022 8.2299 124.6244 60.7579 37.0759 175.6871 51 L 4.1366 8.1682 127.8007 54.9869 42.2392 176.1546 52 P 4.5874 0.0000 0.0000 62.0656 33.1610 177.2225 53 R 4.3898 8.8617 120.6930 59.3760 29.6613 179.0016 54 R 3.8825 7.9031 115.4558 59.7316 30.5572 178.4729 55 R 4.1862 7.9373 116.9816 59.4367 29.9771 178.3870 56 T 4.0454 8.4917 110.5138 62.9388 68.5227 175.7285 57 G 4.1443 8.8244 112.9962 44.3218 0.0000 173.9537 58 L 4.1020 7.6182 118.3602 54.7474 42.6479 178.8298 59 S 4.4029 9.3312 116.0775 58.6777 64.0635 173.6039 60 A 4.0246 8.6650 120.9739 54.6850 17.6898 179.4249 61 K 3.7347 8.0040 116.6388 59.4116 32.1396 178.6858 62 E 3.9037 8.0767 117.8440 58.8770 29.8947 177.9846 63 Q 3.9272 7.8283 119.2196 60.2125 29.0044 178.9210 64 R 4.0252 7.9631 119.5666 58.3017 29.8754 178.5410 65 I 3.8265 7.4312 115.0933 64.8271 37.6886 177.3652 66 L 4.0308 8.6810 123.8020 56.3393 41.7984 178.3322 67 A 3.8841 8.3520 120.5015 55.5113 18.0065 179.6183 68 K 3.7927 8.4953 117.0205 59.9377 32.2074 179.4029 69 T 4.0561 7.9084 108.7590 63.7198 68.8115 176.8526 70 I 3.8149 7.8155 124.0087 64.3496 37.0642 178.2060 71 K 3.8496 7.8857 117.4917 60.0434 32.0030 178.3297 72 R 3.7465 7.7678 117.6396 58.5256 29.5648 178.2361 73 A 3.6793 8.0247 119.8201 55.7142 18.4949 179.4799 74 R 3.9083 7.7675 116.2542 59.9698 30.1171 178.0691 75 I 4.3162 8.5541 117.3805 62.0507 37.6724 176.1824 76 L 4.6923 9.0213 122.5704 54.8493 42.2093 177.2112 77 G 3.9924 8.4451 103.4958 46.5409 0.0000 174.5566 78 L 4.4367 7.8410 117.2079 54.8633 42.0835 176.9409 79 L 4.4544 7.5285 118.8989 52.6605 45.3551 173.2369 80 P 4.4013 0.0000 0.0000 62.8524 31.3334 177.3727 81 F 3.9802 9.3478 122.9892 58.5031 39.1831 175.5542 82 T 5.1830 6.6068 118.6625 61.9481 70.7558 170.8536 83 E 4.7323 7.5125 122.4707 55.0672 32.4084 174.6409 84 K 4.5876 8.2271 119.3846 54.9757 33.6070 177.7464 85 L 4.2603 7.9618 121.4244 56.0801 42.6812 177.0943 86 V 4.3660 8.0158 111.2621 62.2983 32.3644 174.1170 87 R 4.1936 8.0317 120.1243 55.7386 30.6416 175.6186 88 K 4.1597 8.2067 120.1962 56.5565 32.5587 175.7240 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 19 K 8.31 4.16 0.00 1.70 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.47 5.04 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 21 K 7.93 4.27 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.36 7.81 22 V 7.67 4.65 1.87 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 0.54 0.00 0.00 0.79 0.00 0.00 23 K 7.38 3.78 0.00 1.91 1.85 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 A 7.67 4.55 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 25 T 7.54 4.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 26 L 7.35 4.69 0.00 1.33 1.31 0.75 0.63 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 27 G 8.23 3.93 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 0.00 0.00 0.00 28 E 8.61 4.45 0.00 2.17 2.01 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 2.28 2.33 0.00 29 F 8.86 5.06 0.00 3.11 2.89 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 0.00 0.00 0.00 30 D 8.39 4.50 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 6.92 3.59 0.00 0.96 0.13 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.32 4.27 0.00 1.56 2.04 0.00 3.29 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 33 D 7.73 4.43 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.02 4.99 0.00 3.03 2.94 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 35 R 7.84 4.67 0.00 1.74 1.88 0.00 3.14 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.00 36 N 8.62 4.36 0.00 2.95 3.09 0.00 0.00 6.43 7.68 0.00 0.00 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 7.99 2.75 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 0.87 0.00 0.00 0.99 0.00 0.00 38 E 8.39 3.96 0.00 1.98 2.04 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 2.35 2.46 0.00 39 V 8.42 3.66 2.29 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 1.40 0.00 0.00 1.11 0.00 0.00 40 L 8.30 4.16 0.00 1.87 1.71 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.77 4.34 0.00 1.71 2.13 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 42 R 7.79 4.01 0.00 1.83 1.76 0.00 3.03 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 43 F 9.16 4.73 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 5.83 0.00 1.74 1.17 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.71 4.94 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.65 0.00 1.99 2.01 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 2.31 2.24 0.00 47 T 7.61 5.38 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 1.23 0.00 0.00 48 G 8.49 4.18 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 49 K 7.88 4.00 0.00 1.79 1.77 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 50 I 8.23 4.30 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.91 0.00 0.00 51 L 8.17 4.14 0.00 1.65 1.71 0.97 1.07 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 52 P 0.00 4.59 0.00 2.13 2.19 0.00 3.76 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 2.08 2.01 0.00 53 R 8.86 4.39 0.00 1.89 2.08 0.00 3.46 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 54 R 7.90 3.88 0.00 1.78 2.03 0.00 3.20 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 55 R 7.94 4.19 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 56 T 8.49 4.05 4.40 0.00 0.00 0.00 0.00 0.00 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 57 G 8.82 4.14 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 0.00 0.00 0.00 58 L 7.62 4.10 0.00 1.70 1.85 1.14 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.33 4.40 0.00 3.86 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 60 A 8.66 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.00 3.73 0.00 1.83 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.56 7.81 62 E 8.08 3.90 0.00 2.12 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 2.40 2.42 0.00 63 Q 7.83 3.93 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 64 R 7.96 4.03 0.00 1.82 1.85 0.00 3.19 0.00 0.00 3.21 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 65 I 7.43 3.83 1.80 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 1.35 0.60 0.87 0.00 0.00 66 L 8.68 4.03 0.00 1.59 1.83 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.35 3.88 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 68 K 8.50 3.79 0.00 1.85 1.84 0.00 1.51 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 7.91 4.06 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 1.27 0.00 0.00 70 I 7.82 3.81 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.84 0.00 0.00 71 K 7.89 3.85 0.00 1.78 1.77 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.56 7.81 72 R 7.77 3.75 0.00 2.02 1.57 0.00 2.98 0.00 0.00 2.76 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 73 A 8.02 3.68 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 74 R 7.77 3.91 0.00 1.81 1.73 0.00 2.21 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 75 I 8.55 4.32 2.01 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 1.66 0.98 0.95 0.00 0.00 76 L 9.02 4.69 0.00 1.70 1.67 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.45 3.99 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 0.00 0.00 0.00 78 L 7.84 4.44 0.00 1.80 1.77 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.53 4.45 0.00 1.69 1.53 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.40 0.00 2.23 2.08 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 81 F 9.35 3.98 0.00 2.90 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 82 T 6.61 5.18 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 1.29 0.00 0.00 83 E 7.51 4.73 0.00 2.16 2.01 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 2.35 2.50 0.00 84 K 8.23 4.59 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.37 7.81 85 L 7.96 4.26 0.00 1.59 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.02 4.37 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 0.75 0.00 0.00 1.04 0.00 0.00 87 R 8.03 4.19 0.00 2.00 1.98 0.00 3.23 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 1.48 1.60 0.00 88 K 8.21 4.16 0.00 1.69 1.59 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.40 7.81