NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7032 8.2676 119.2035 52.7207 39.4720 174.4083 5 P 4.1360 0.0000 0.0000 64.4891 31.5305 176.7265 6 A 3.9807 8.4828 122.3706 54.9497 18.5786 180.3430 7 A 3.9477 7.9159 119.2814 55.3430 18.4347 179.6420 8 E 3.8526 8.0377 116.5533 59.5191 29.5854 179.4444 9 K 3.8683 7.9806 119.0238 59.6504 32.3657 178.2120 10 M 3.9508 8.5417 118.6806 58.8517 32.1560 178.0424 11 Q 4.0063 8.6441 119.9514 58.9209 29.1406 178.2850 12 V 3.6091 8.2910 119.7496 66.0751 31.7130 177.7769 13 L 4.1385 8.0239 118.6867 58.2242 41.5230 179.5638 14 Q 4.0754 8.1565 118.8901 58.9323 28.8473 178.3550 15 V 3.6894 8.0418 119.8647 65.6498 31.5868 178.0363 16 L 4.0675 8.5353 119.2504 57.8665 41.4746 179.2800 17 D 4.0856 7.9381 118.6612 57.1067 40.7716 178.7286 18 R 3.7955 7.8719 119.1097 59.4359 30.2553 178.2198 19 L 3.9681 8.1859 119.2372 58.0639 41.7460 179.7686 20 R 4.0592 8.0448 115.7761 59.3787 29.0989 179.0772 21 G 3.5318 7.9763 106.3900 47.6291 0.0000 175.8471 22 K 3.9946 8.0238 121.1160 59.0372 31.9178 179.5061 23 L 3.9562 7.8472 118.9520 58.0754 41.4352 179.5593 24 Q 3.5830 7.8500 116.3004 58.8989 28.6110 178.5194 25 E 4.1917 7.8229 118.7899 58.8193 29.7472 178.7109 26 K 4.2575 7.9746 118.0382 58.1547 32.2218 177.4869 27 G 4.1387 8.0621 108.6771 45.6835 0.0000 174.2811 28 D 4.8162 7.9795 121.7085 52.7034 40.4844 176.2025 29 T 4.6617 7.8732 114.7532 63.0662 69.0811 176.0833 30 T 4.2055 7.7540 120.4028 66.3874 69.2372 177.1326 31 Q 4.1697 7.9551 119.6114 58.4384 28.1744 178.0181 32 N 4.3249 7.5638 117.5474 56.2364 38.5085 176.6474 33 E 3.9751 7.8671 119.3392 59.2233 29.6455 179.0305 34 K 3.9647 7.9201 117.7846 59.7145 32.2039 179.1024 35 L 4.2116 7.9516 119.0628 57.9977 41.5237 179.6293 36 S 4.1851 8.7428 113.2020 60.9391 62.3639 176.1017 37 A 4.0703 8.5783 124.1580 54.9285 18.1445 179.4709 38 F 4.4589 9.0275 119.5632 61.6156 39.3368 176.5429 39 Y 3.8651 8.0972 118.0411 60.8457 38.8975 177.8253 40 E 4.0707 8.3972 119.0181 59.9716 29.5541 179.6135 41 T 4.1987 7.7958 116.7569 66.0749 68.1977 176.6774 42 L 4.0781 8.1247 120.6164 57.7401 41.6040 179.3956 43 K 4.0351 7.5381 117.5584 57.8994 32.2833 178.0986 44 S 4.0998 7.3263 115.5381 58.7863 63.4998 173.6677 45 P 4.2346 0.0000 0.0000 65.3822 31.2481 178.3376 46 L 3.9458 7.9287 118.6548 58.3227 42.1274 178.6445 47 F 4.4932 8.2534 119.8872 61.5772 39.4038 176.5537 48 N 4.1120 8.5361 116.3904 56.3006 38.3095 177.1702 49 Q 3.9407 8.2564 121.1970 59.0490 29.2180 178.1969 50 I 3.6974 7.5530 120.6043 64.5008 37.1756 178.4562 51 L 3.9121 7.5921 119.6052 57.7392 41.4107 179.4779 52 T 3.7812 7.6990 115.8731 66.6414 68.5732 176.1232 53 L 3.9195 7.7484 121.7371 58.4532 42.1085 179.0430 54 Q 4.0398 7.9887 117.6236 59.0258 28.5705 178.9016 55 Q 3.9847 8.6009 119.5085 58.9178 28.7985 178.9548 56 S 4.0875 7.8803 115.9690 61.8219 63.0591 176.8428 57 I 3.7290 7.6416 122.0310 64.2230 36.7769 178.3853 58 K 3.9707 8.1809 120.6208 59.5650 31.9471 178.9243 59 Q 3.9981 7.9965 118.4116 58.6713 28.6327 178.3539 60 L 3.9630 7.7127 119.8412 58.1439 41.3338 179.9624 61 K 4.1445 8.0409 117.6410 59.5968 31.6597 179.1219 62 G 3.7195 7.8547 105.9884 46.9575 0.0000 175.1461 63 Q 4.1768 8.7527 121.8710 59.2306 29.1132 179.0810 64 L 3.7841 7.8212 118.1131 53.8119 41.5560 177.2764 65 S 4.0585 7.9801 118.7427 59.0228 63.9211 172.0308 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 N 8.27 4.70 0.00 2.77 2.78 0.00 0.00 6.81 6.81 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 5 P 0.00 4.14 0.00 2.36 2.28 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 6 A 8.48 3.98 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 7 A 7.92 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.04 3.85 0.00 2.26 2.02 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 2.34 2.32 0.00 9 K 7.98 3.87 0.00 1.74 1.76 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 10 M 8.54 3.95 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 11 Q 8.64 4.01 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 V 8.29 3.61 2.20 0.00 0.00 0.00 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 1.03 0.00 0.00 13 L 8.02 4.14 0.00 1.77 1.79 0.69 0.26 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 14 Q 8.16 4.08 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 15 V 8.04 3.69 2.27 0.00 0.00 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 0.99 0.00 0.00 16 L 8.54 4.07 0.00 1.98 1.94 0.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.94 4.09 0.00 2.68 2.57 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 18 R 7.87 3.80 0.00 2.15 1.92 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 19 L 8.19 3.97 0.00 1.78 1.73 0.97 0.84 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 20 R 8.04 4.06 0.00 2.08 2.32 0.00 2.78 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 21 G 7.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.99 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.63 7.81 23 L 7.85 3.96 0.00 2.06 1.88 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.85 3.58 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 25 E 7.82 4.19 0.00 2.14 1.99 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 2.32 2.54 0.00 26 K 7.97 4.26 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 27 G 8.06 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 28 D 7.98 4.82 0.00 2.68 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 29 T 7.87 4.66 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 1.21 0.00 0.00 30 T 7.75 4.21 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 1.21 0.00 0.00 31 Q 7.96 4.17 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 32 N 7.56 4.32 0.00 3.00 2.86 0.00 0.00 6.43 7.76 0.00 0.00 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 E 7.87 3.98 0.00 2.22 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 2.32 2.51 0.00 34 K 7.92 3.96 0.00 2.15 1.88 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.60 7.81 35 L 7.95 4.21 0.00 1.84 1.91 1.06 0.95 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 36 S 8.74 4.19 0.00 3.86 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 37 A 8.58 4.07 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 38 F 9.03 4.46 0.00 3.05 3.15 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 39 Y 8.10 3.87 0.00 3.08 3.15 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 40 E 8.40 4.07 0.00 2.31 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 2.41 2.57 0.00 41 T 7.80 4.20 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 0.74 0.00 0.00 42 L 8.12 4.08 0.00 1.37 1.39 -0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.54 4.04 0.00 1.75 1.76 0.00 1.18 0.00 0.00 1.29 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.23 7.81 44 S 7.33 4.10 0.00 4.13 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 45 P 0.00 4.23 0.00 2.16 2.09 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 46 L 7.93 3.95 0.00 1.79 1.71 0.98 0.91 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 47 F 8.25 4.49 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.11 0.00 2.98 2.79 0.00 0.00 6.62 7.97 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 49 Q 8.26 3.94 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 I 7.55 3.70 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.30 1.04 0.00 0.00 51 L 7.59 3.91 0.00 1.54 1.54 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.70 3.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 53 L 7.75 3.92 0.00 1.73 1.83 0.92 0.70 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 54 Q 7.99 4.04 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 55 Q 8.60 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 56 S 7.88 4.09 0.00 4.10 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 57 I 7.64 3.73 1.99 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 1.40 1.25 0.91 0.00 0.00 58 K 8.18 3.97 0.00 2.02 1.94 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 59 Q 8.00 4.00 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 60 L 7.71 3.96 0.00 1.99 1.73 0.96 0.61 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 61 K 8.04 4.14 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 62 G 7.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.75 4.18 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 64 L 7.82 3.78 0.00 1.69 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.98 4.06 0.00 4.15 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