NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7904 8.3027 117.8641 55.3674 30.4378 174.8445 6 S 3.9871 8.5144 116.3159 59.8200 62.2773 172.2231 7 L 4.5100 7.8533 121.5709 56.4187 43.7546 177.1391 8 Q 3.9358 7.9851 118.8532 59.4061 28.8639 178.0397 9 D 4.4750 8.0130 119.1545 57.1023 40.9642 177.0190 10 P 4.2961 0.0000 0.0000 65.6668 31.4380 177.9456 11 Y 4.0288 8.1730 118.1995 60.9305 38.7563 178.3100 12 L 3.7489 8.1353 120.0362 57.5685 41.4490 179.0841 13 N 4.5939 8.5112 117.4558 56.9408 38.8518 177.1951 14 T 3.8631 8.0437 117.3763 66.5265 68.5094 176.7738 15 L 3.8600 7.6270 120.8214 57.4799 41.5199 179.5535 16 R 4.0720 8.0328 120.0757 58.9908 29.9370 178.6652 17 K 3.9227 8.0710 117.1269 59.6147 32.1143 178.1113 18 E 4.1722 8.2702 115.1421 56.2760 29.6023 176.6166 19 R 3.7626 7.6251 116.9655 56.8420 28.3961 176.4087 20 V 3.7999 7.4087 117.1405 62.0780 32.0668 174.1048 21 P 4.6307 0.0000 0.0000 62.9994 32.6276 175.7169 22 V 4.9626 9.2234 115.7283 59.8064 36.7485 174.3988 23 S 5.0501 9.1795 118.5887 56.9190 65.5733 173.3215 24 I 4.8911 8.8813 126.3542 59.8567 39.3381 174.2030 25 Y 4.8202 9.0498 126.1712 56.8905 39.4301 175.6693 26 L 4.9038 8.8950 124.5075 53.7117 43.2676 178.5814 27 V 3.6204 8.9175 115.1560 64.0975 31.5574 177.1838 28 N 4.6287 8.1840 115.1713 52.6622 37.5258 175.8746 29 G 4.0616 8.3807 108.7481 45.2786 0.0000 174.1920 30 I 3.9982 8.0714 121.4571 61.0377 38.4419 174.8028 31 K 4.5039 8.5013 127.2414 54.6261 33.6910 175.0752 32 L 4.7937 8.7173 127.6306 53.2723 44.4039 175.5656 33 Q 4.9101 9.3456 119.4643 53.6589 32.9104 176.4784 34 G 3.8508 6.9758 107.4231 46.0362 0.0000 170.7085 35 Q 4.8892 7.6491 118.4811 53.8792 32.7030 175.4387 36 I 4.3204 8.2357 123.7220 61.6205 37.6014 176.5441 37 E 4.2095 9.2925 128.4383 58.9396 29.8894 177.0978 38 S 4.7622 7.6056 111.3904 58.3485 66.3102 172.6791 39 F 5.1305 7.7509 112.4379 56.4917 38.7584 173.1328 40 D 4.6930 8.6138 120.6915 52.2776 41.6845 175.5242 41 Q 4.0269 8.8014 118.1659 58.7912 29.2892 177.8707 42 F 5.0184 7.9873 112.3086 57.3556 41.3951 175.0584 43 V 5.0390 8.9570 112.7866 59.5214 36.4456 174.5787 44 I 4.9874 8.6601 122.1623 59.6624 40.9861 174.7379 45 L 4.8532 9.0384 127.1364 53.4414 43.3840 175.2867 46 L 4.8766 8.9723 127.8712 53.2815 43.7677 175.1944 47 K 4.6509 8.9880 129.0205 54.9115 34.0006 174.2256 48 N 4.5515 8.1416 128.0371 53.7485 45.7445 175.5940 49 T 4.0032 9.3065 111.7158 65.8412 68.6390 174.0945 50 V 4.3975 7.3531 118.6793 60.9281 34.8307 174.1959 51 S 4.9478 8.4867 120.2505 57.4926 63.0893 173.8488 52 Q 4.4368 8.6528 124.0716 55.3603 30.7504 174.3675 53 M 4.7615 8.4358 120.9613 54.3321 33.6418 174.9976 54 V 4.3879 8.7665 126.5895 61.1335 34.3406 174.3319 55 Y 4.4649 8.5240 125.8397 57.3531 38.6845 176.7434 56 K 4.0491 9.3385 125.4933 59.7255 32.3615 178.9442 57 H 4.2268 8.3290 112.6403 57.6503 28.7031 175.5993 58 A 4.5488 8.0265 122.3241 52.0821 19.3847 176.2358 59 I 4.7303 7.7871 118.2681 60.1723 38.6203 175.4008 60 S 4.7591 9.1226 120.7231 60.0803 64.0324 174.4399 61 T 4.7786 7.7684 109.9172 59.2824 72.5347 172.3231 62 V 4.7138 8.4833 122.4984 61.3541 33.9283 174.8262 63 V 4.4338 9.0562 129.3269 60.4140 32.6321 173.0895 64 P 4.7800 0.0000 0.0000 62.4490 31.9015 178.0079 65 S 4.5191 8.9744 119.0356 60.7631 63.4744 174.5528 66 R 4.7078 7.4182 111.8845 53.2087 32.3850 172.9933 67 P 4.3550 0.0000 0.0000 63.3963 31.8672 176.3142 68 V 4.5039 8.0612 113.5114 59.4840 35.4064 174.8059 69 R 4.6066 8.4563 122.1347 54.5563 32.0192 175.8838 70 L 4.3422 8.5023 123.4982 54.9489 41.9105 176.2620 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 5 H 8.30 4.79 0.00 3.41 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.51 3.99 0.00 3.95 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 7 L 7.85 4.51 0.00 1.74 1.56 0.89 0.61 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 8 Q 7.99 3.94 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 9 D 8.01 4.48 0.00 2.98 2.88 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 10 P 0.00 4.30 0.00 2.22 2.15 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 11 Y 8.17 4.03 0.00 3.13 3.09 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 0.00 0.00 0.00 0.00 12 L 8.14 3.75 0.00 0.71 0.69 0.42 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.51 4.59 0.00 3.28 2.91 0.00 0.00 7.17 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.04 3.86 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 15 L 7.63 3.86 0.00 1.69 1.57 0.47 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.03 4.07 0.00 2.08 2.21 0.00 3.30 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 17 K 8.07 3.92 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.62 7.81 18 E 8.27 4.17 0.00 1.92 1.96 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 2.53 2.39 0.00 19 R 7.63 3.76 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 20 V 7.41 3.80 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 0.70 0.00 0.00 0.93 0.00 0.00 21 P 0.00 4.63 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.22 4.96 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 0.79 0.00 0.00 0.99 0.00 0.00 23 S 9.18 5.05 0.00 3.81 3.58 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 24 I 8.88 4.89 1.83 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 1.25 0.67 0.93 0.00 0.00 25 Y 9.05 4.82 0.00 2.96 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 26 L 8.90 4.90 0.00 1.79 1.70 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.92 3.62 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 0.72 0.00 0.00 0.97 0.00 0.00 28 N 8.18 4.63 0.00 2.83 2.94 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.38 4.06 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 0.00 0.00 0.00 30 I 8.07 4.00 1.96 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 1.12 0.81 0.89 0.00 0.00 31 K 8.50 4.50 0.00 1.31 1.47 0.00 1.43 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.93 0.28 7.81 32 L 8.72 4.79 0.00 1.51 1.48 0.91 0.63 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 33 Q 9.35 4.91 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 34 G 6.98 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.65 4.89 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.24 4.32 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 1.03 0.00 0.00 37 E 9.29 4.21 0.00 2.02 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 2.34 2.40 0.00 38 S 7.61 4.76 0.00 3.76 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 39 F 7.75 5.13 0.00 3.21 2.99 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 40 D 8.61 4.69 0.00 2.83 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 41 Q 8.80 4.03 0.00 1.81 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 1.16 2.04 0.00 42 F 7.99 5.02 0.00 3.21 3.19 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 0.00 0.00 0.00 0.00 43 V 8.96 5.04 1.93 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 0.28 0.00 0.00 1.00 0.00 0.00 44 I 8.66 4.99 1.87 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 1.26 0.78 0.93 0.00 0.00 45 L 9.04 4.85 0.00 1.58 1.59 0.91 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.97 4.88 0.00 1.70 1.52 0.90 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.99 4.65 0.00 1.84 1.64 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.37 7.81 48 N 8.14 4.55 0.00 2.72 1.72 0.00 0.00 7.19 7.58 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 49 T 9.31 4.00 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 1.21 0.00 0.00 50 V 7.35 4.40 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 1.04 0.00 0.00 0.93 0.00 0.00 51 S 8.49 4.95 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 4.44 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 53 M 8.44 4.76 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 54 V 8.77 4.39 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 1.03 0.00 0.00 0.92 0.00 0.00 55 Y 8.52 4.46 0.00 2.96 2.47 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 0.00 56 K 9.34 4.05 0.00 1.97 1.92 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.53 7.81 57 H 8.33 4.23 0.00 3.28 3.55 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.03 4.55 1.44 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 59 I 7.79 4.73 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 1.02 0.00 0.00 60 S 9.12 4.76 0.00 3.86 4.02 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 61 T 7.77 4.78 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 1.17 0.00 0.00 62 V 8.48 4.71 2.22 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 0.90 0.00 0.00 0.97 0.00 0.00 63 V 9.06 4.43 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 0.99 0.00 0.00 1.03 0.00 0.00 64 P 0.00 4.78 0.00 2.23 1.90 0.00 3.75 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 65 S 8.97 4.52 0.00 3.87 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.42 4.71 0.00 1.88 1.88 0.00 3.08 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 67 P 0.00 4.35 0.00 2.06 2.06 0.00 3.62 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 2.14 0.00 68 V 8.06 4.50 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 0.69 0.00 0.00 0.86 0.00 0.00 69 R 8.46 4.61 0.00 1.74 1.79 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 70 L 8.50 4.34 0.00 1.72 1.59 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00