NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 M 4.4732 8.1627 120.3600 55.2463 34.3817 176.9115 14 R 3.7383 8.2099 118.5970 58.9547 29.6205 176.2449 15 I 3.8182 7.8478 120.2832 64.6520 37.2958 176.5506 16 Y 4.2428 8.0178 116.7761 60.4056 37.7508 178.3777 17 K 3.2485 6.8262 121.1729 58.4351 32.2225 178.8357 18 G 3.4885 8.6206 107.2100 47.3695 0.0000 175.7584 19 V 3.5747 8.4113 121.0887 65.2200 31.3325 177.7565 20 I 3.5373 7.1898 119.6590 64.7714 36.8680 177.6955 21 Q 4.0181 8.2501 119.8934 58.2458 28.1942 179.3410 22 A 3.3234 7.8660 121.0727 54.8058 18.4349 179.4618 23 I 3.8656 7.3464 116.9118 64.5769 37.6047 178.2579 24 Q 4.1202 8.8110 119.6340 58.7132 29.4031 177.6702 25 K 4.8226 7.7628 120.9718 55.5372 30.4410 178.3087 26 S 4.3800 7.8917 112.5672 60.1999 63.0427 175.2148 27 D 4.7876 7.9405 119.6996 53.3165 39.6821 176.9110 28 E 4.4417 8.7121 119.5149 56.5151 29.9181 176.7222 29 G 3.5450 8.1710 105.2132 45.4680 0.0000 174.5490 30 H 4.0344 7.8410 112.6849 55.4307 27.3121 172.9725 31 P 3.8889 0.0000 0.0000 62.5154 32.9544 174.7680 32 F 4.8483 6.6383 115.6813 58.4243 39.9240 177.8803 33 R 4.1143 8.4096 118.2288 58.4436 29.2418 178.0802 34 A 4.2219 7.9727 121.0495 55.1388 18.0037 179.0629 35 Y 3.8335 8.0550 114.8835 61.0100 37.9802 178.3741 36 L 4.1152 7.9234 119.8374 57.6148 41.3481 178.8791 37 E 3.9541 7.9401 118.4682 59.5523 29.0506 179.1535 38 S 4.2563 7.7958 112.7696 60.7538 63.1256 175.8723 39 E 4.1623 8.1788 122.3509 58.5403 28.8367 179.3264 40 V 3.5764 7.2766 117.9373 65.9712 31.8608 177.4814 41 A 4.2001 7.8851 117.0527 53.7214 18.6869 178.3944 42 I 4.1087 7.8238 117.5007 63.4607 37.6655 179.7022 43 S 3.8006 8.4534 114.1698 61.0170 64.1358 174.7023 44 E 4.0270 8.2357 120.5198 58.1932 29.4274 176.6268 45 E 4.5751 8.6594 119.4907 54.6567 33.3284 175.9813 46 L 4.0638 8.7586 126.3784 58.3646 42.8015 179.4651 47 V 3.8714 7.8056 111.7029 64.1535 31.4188 178.3293 48 Q 3.9587 8.0327 118.9393 59.2472 29.1213 178.1021 49 K 3.9770 7.8945 120.7939 59.3854 31.9893 178.0689 50 Y 4.1768 7.7699 118.6725 60.9802 38.8589 177.9229 51 S 3.8849 8.0394 112.5113 61.3860 62.5376 175.4061 52 N 4.4822 8.2198 118.8119 55.8047 39.0810 177.6018 53 S 4.4991 8.6841 116.7581 58.0534 62.1516 176.1283 54 A 3.8691 7.8850 124.1631 54.9130 18.4569 178.9665 55 L 4.2548 7.8870 117.2774 57.6517 42.3799 179.1876 56 G 3.6308 8.0430 105.0178 48.4856 0.0000 174.7532 57 H 4.1599 7.8201 116.8710 58.3073 28.6968 177.5535 58 V 3.7762 8.7435 123.2558 64.7360 31.4478 178.1849 59 N 4.3864 7.8852 117.3257 55.2357 38.6779 177.0945 60 S 3.9480 7.9048 114.2030 61.8585 62.4076 176.5962 61 T 4.0084 7.3605 117.9859 66.1908 68.0098 176.7726 62 I 3.6816 7.4174 119.6410 64.2191 37.0556 178.3175 63 K 4.0741 8.6543 119.7592 59.6599 31.8868 179.4379 64 E 4.0210 8.5167 118.9925 59.4458 29.3803 178.2282 65 L 3.5368 7.7318 118.9000 57.6460 41.2277 179.1994 66 R 3.6899 7.6280 115.1716 59.7996 29.3032 178.8412 67 R 3.8126 7.2343 115.8029 58.9148 30.0400 178.2046 68 L 3.9274 8.2059 121.0390 58.2794 41.8726 179.0157 69 F 4.5258 7.2756 116.0481 60.5166 38.8665 177.0482 70 L 4.1642 7.6072 119.2972 57.8183 42.0251 178.7613 71 V 3.9680 7.6820 116.2724 60.8635 33.3194 175.2887 72 D 4.4305 8.2379 117.8443 55.5916 39.4083 172.4118 73 D 5.0496 7.6117 116.4766 53.6763 42.4443 178.5717 74 L 4.3753 7.7655 121.4218 57.4629 41.5916 179.4655 75 V 3.8304 7.7130 117.5295 64.6874 31.9408 177.2356 76 D 4.6439 7.9543 116.8600 54.7022 41.0653 178.1427 77 S 4.2182 8.2074 117.3207 61.5813 62.5394 176.5509 78 L 4.1269 7.9048 120.5089 57.1916 41.7727 177.0774 79 K 4.2026 8.0385 121.5845 56.6484 33.1811 175.8678 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 13 M 8.16 4.47 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 14 R 8.21 3.74 0.00 2.02 1.98 0.00 3.27 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 15 I 7.85 3.82 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.92 0.99 0.00 0.00 16 Y 8.02 4.24 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 6.83 3.25 0.00 0.96 1.62 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.17 7.81 18 G 8.62 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.57 2.26 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 0.97 0.00 0.00 1.09 0.00 0.00 20 I 7.19 3.54 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.82 0.00 0.00 21 Q 8.25 4.02 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 22 A 7.87 3.32 0.57 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 23 I 7.35 3.87 1.95 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 1.75 0.58 0.91 0.00 0.00 24 Q 8.81 4.12 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.14 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 25 K 7.76 4.82 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.37 7.81 26 S 7.89 4.38 0.00 3.89 3.98 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 27 D 7.94 4.79 0.00 2.82 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 28 E 8.71 4.44 0.00 2.09 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 2.27 2.44 0.00 29 G 8.17 3.55 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 0.00 30 H 7.84 4.03 0.00 3.50 3.59 0.00 5.72 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 31 P 0.00 3.89 0.00 2.28 1.99 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 32 F 6.64 4.85 0.00 3.36 3.39 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 33 R 8.41 4.11 0.00 2.13 2.33 0.00 3.09 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 34 A 7.97 4.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.05 3.83 0.00 3.19 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.12 0.00 2.05 1.82 1.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.94 3.95 0.00 2.03 2.17 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 2.24 2.35 0.00 38 S 7.80 4.26 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.16 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 40 V 7.28 3.58 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 0.81 0.00 0.00 0.98 0.00 0.00 41 A 7.89 4.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 4.11 2.11 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 1.63 0.84 1.06 0.00 0.00 43 S 8.45 3.80 0.00 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.03 0.00 1.96 2.06 0.00 0.00 0.00 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 2.37 0.00 45 E 8.66 4.58 0.00 1.99 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 2.24 2.40 0.00 46 L 8.76 4.06 0.00 1.69 1.65 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.81 3.87 2.17 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 0.83 0.00 0.00 0.97 0.00 0.00 48 Q 8.03 3.96 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 49 K 7.89 3.98 0.00 1.92 1.97 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.56 7.81 50 Y 7.77 4.18 0.00 3.11 3.32 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 51 S 8.04 3.88 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.22 4.48 0.00 2.83 2.81 0.00 0.00 7.09 8.39 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 53 S 8.68 4.50 0.00 3.99 3.87 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 54 A 7.88 3.87 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 55 L 7.89 4.25 0.00 1.73 1.69 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.04 3.63 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 0.00 57 H 7.82 4.16 0.00 3.27 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.74 3.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 59 N 7.89 4.39 0.00 2.76 2.87 0.00 0.00 6.51 7.55 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 60 S 7.90 3.95 0.00 3.86 3.91 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 61 T 7.36 4.01 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 62 I 7.42 3.68 1.91 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 1.60 0.57 0.88 0.00 0.00 63 K 8.65 4.07 0.00 1.79 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 E 8.52 4.02 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 65 L 7.73 3.54 0.00 1.74 1.33 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.63 3.69 0.00 1.97 2.14 0.00 2.92 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 67 R 7.23 3.81 0.00 1.88 1.95 0.00 3.23 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 68 L 8.21 3.93 0.00 1.67 1.51 1.03 0.28 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 69 F 7.28 4.53 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.16 0.00 1.80 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.68 3.97 2.09 0.00 0.00 0.00 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 1.06 0.00 0.00 72 D 8.24 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 73 D 7.61 5.05 0.00 2.74 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 74 L 7.77 4.38 0.00 1.76 1.83 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.71 3.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 76 D 7.95 4.64 0.00 2.73 2.75 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 0.00 0.00 0.00 0.00 77 S 8.21 4.22 0.00 4.09 4.16 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 78 L 7.90 4.13 0.00 1.67 1.81 0.98 0.89 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 79 K 8.04 4.20 0.00 1.70 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81