NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 Q 4.4199 8.3444 119.1338 54.8984 28.5153 174.0353 14 F 4.9182 8.1030 122.5273 57.1957 39.8265 174.5022 15 K 4.3631 8.2287 118.7776 57.7355 33.3341 177.3303 16 E 4.2101 7.9479 120.7643 58.5310 30.0344 177.8554 17 F 4.1409 7.9198 120.1414 61.2013 39.4906 176.9711 18 L 3.8103 7.5434 118.2231 57.4973 41.4628 179.3996 19 G 3.5652 7.3486 105.2952 48.3177 0.0000 175.8992 20 T 3.5558 7.6833 118.2540 66.1340 68.3000 176.1521 21 Y 3.9027 7.5799 121.7488 60.3503 38.6203 177.5730 22 N 3.7934 7.8863 117.4344 55.9696 38.6069 176.9984 23 K 3.6566 8.4832 121.7465 59.7832 32.0560 178.1196 24 L 3.3859 7.5504 120.0834 58.1002 41.9512 178.6346 25 T 3.6835 7.4939 115.5507 67.1092 68.4509 175.3831 26 E 3.8553 8.1909 120.5732 60.2590 29.4101 178.5705 27 T 3.7396 7.8832 113.7292 67.5925 68.5877 175.2132 28 C 4.0637 8.6780 117.7271 60.4108 40.7070 176.5017 29 F 4.1348 8.3863 121.9237 61.3376 38.8138 176.7938 30 L 3.8476 8.2510 117.3675 58.4070 41.6022 179.2867 31 D 4.4396 8.3095 117.6485 56.8716 40.8462 177.4596 32 C 4.7216 8.2228 116.1168 56.8610 41.2409 173.6832 33 V 4.0659 7.3798 120.4992 61.1651 30.1865 174.5401 34 K 4.2619 8.4149 126.2693 55.0938 34.5127 172.6128 35 D 4.4199 8.7519 129.7049 53.9928 38.9056 173.5479 36 F 4.7074 9.0919 123.3651 56.2269 40.0608 175.6008 37 T 4.4667 8.6473 121.7125 64.1697 70.8549 173.7936 38 T 4.7684 7.6627 112.7369 60.2155 70.7036 172.6177 39 R 4.7197 8.2732 118.0311 55.3393 30.0958 176.5381 40 E 4.5698 7.9782 117.3514 55.8349 33.4800 175.5451 41 V 3.5239 8.5352 123.3860 63.4903 32.1438 175.8062 42 K 4.2855 7.9755 127.1973 54.8360 34.3476 175.8158 43 P 4.3973 0.0000 0.0000 66.1438 30.9731 178.7792 44 E 3.9374 8.2639 118.0335 61.0807 29.4558 180.9441 45 E 4.2469 8.0800 119.0455 59.0398 29.2747 179.0704 46 T 3.8678 8.1409 116.7881 67.1062 68.5515 176.4709 47 T 4.6220 7.7347 112.1007 64.3624 68.8103 175.4541 48 C 3.9205 7.6618 120.6457 59.7147 43.3437 176.1280 49 S 4.0242 7.8182 114.0140 61.2724 62.9791 175.8619 50 E 4.1180 7.7251 120.8234 59.5980 29.1990 178.9656 51 H 4.2344 8.5828 116.3187 59.3277 28.7711 176.9612 52 C 3.9600 8.5374 120.5093 59.6753 43.8396 175.8172 53 L 4.0886 7.9505 123.9994 58.7244 41.7494 179.2675 54 Q 4.0502 8.0070 120.0317 60.9206 28.2283 179.2348 55 K 3.8555 8.5004 120.5508 59.9034 32.0158 177.4171 56 Y 3.9657 8.2786 118.7523 60.9353 38.7616 178.9131 57 L 4.1195 8.2713 122.4361 58.7497 42.5447 179.0546 58 K 4.0199 8.3802 124.0215 60.6036 31.5412 179.9519 59 M 3.9214 7.9722 118.8356 59.3686 32.0867 178.4160 60 T 3.7262 7.7802 115.3629 66.7076 68.5765 176.6348 61 Q 3.9192 8.2872 120.3946 58.9410 28.8270 178.0735 62 R 3.8490 8.0022 118.9411 59.8321 30.0710 177.9814 63 I 3.6617 7.8948 119.2040 64.7612 37.3263 178.1656 64 S 4.1250 7.9178 113.4437 61.5516 62.2108 175.9304 65 M 4.0366 8.4124 121.1145 58.9482 31.9235 178.3898 66 R 4.1533 8.4217 116.8901 59.0422 30.4324 178.6652 67 F 4.3735 8.2977 120.7607 61.4388 39.0259 177.2852 68 Q 4.0416 8.0925 117.4210 58.8860 28.2567 178.1516 69 E 4.3627 8.0837 115.4854 57.5184 29.4479 177.3295 70 Y 4.3454 7.8000 120.6194 60.1128 39.5910 177.1032 71 H 3.9447 8.3505 116.5818 58.8759 28.5021 177.6853 72 I 3.7457 7.1625 123.1938 64.8686 36.9893 178.5180 73 Q 4.1526 7.8303 122.7432 61.1229 27.9905 181.0880 74 Q 4.2935 7.7149 123.5033 60.3149 28.3283 178.1707 75 N 4.7235 7.9657 121.2905 52.3764 37.7093 176.8796 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 Q 8.34 4.42 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 14 F 8.10 4.92 0.00 3.05 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 15 K 8.23 4.36 0.00 1.89 1.81 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.49 7.81 16 E 7.95 4.21 0.00 2.09 1.98 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 2.30 2.32 0.00 17 F 7.92 4.14 0.00 3.07 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 3.81 0.00 1.57 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.35 3.57 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 0.00 20 T 7.68 3.56 4.34 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 1.27 0.00 0.00 21 Y 7.58 3.90 0.00 2.22 2.68 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 0.00 0.00 0.00 0.00 22 N 7.89 3.79 0.00 2.78 2.65 0.00 0.00 6.59 7.49 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 23 K 8.48 3.66 0.00 1.81 1.91 0.00 1.49 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 L 7.55 3.39 0.00 1.18 1.58 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.49 3.68 3.88 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 1.03 0.00 0.00 26 E 8.19 3.86 0.00 1.93 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 0.00 2.32 2.40 0.00 27 T 7.88 3.74 4.34 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 1.27 0.00 0.00 28 C 8.68 4.06 0.00 2.94 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 29 F 8.39 4.13 0.00 3.13 3.31 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 30 L 8.25 3.85 0.00 1.81 1.72 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.31 4.44 0.00 2.62 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 32 C 8.22 4.72 0.00 3.17 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 33 V 7.38 4.07 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 0.27 0.00 0.00 0.86 0.00 0.00 34 K 8.41 4.26 0.00 1.62 1.60 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.23 7.81 35 D 8.75 4.42 0.00 2.76 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 36 F 9.09 4.71 0.00 2.94 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 37 T 8.65 4.47 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 1.23 0.00 0.00 38 T 7.66 4.77 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 1.29 0.00 0.00 39 R 8.27 4.72 0.00 1.99 2.04 0.00 3.10 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 40 E 7.98 4.57 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 41 V 8.54 3.52 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 0.73 0.00 0.00 0.95 0.00 0.00 42 K 7.98 4.29 0.00 1.82 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 43 P 0.00 4.40 0.00 2.28 2.30 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 44 E 8.26 3.94 0.00 1.99 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 2.33 2.01 0.00 45 E 8.08 4.25 0.00 2.06 1.94 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 2.37 2.31 0.00 46 T 8.14 3.87 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 1.20 0.00 0.00 47 T 7.73 4.62 4.07 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 1.17 0.00 0.00 48 C 7.66 3.92 0.00 3.15 3.31 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 49 S 7.82 4.02 0.00 4.10 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 50 E 7.73 4.12 0.00 2.25 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 2.34 2.64 0.00 51 H 8.58 4.23 0.00 3.29 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.54 3.96 0.00 3.08 3.36 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 53 L 7.95 4.09 0.00 1.88 1.98 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.01 4.05 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 55 K 8.50 3.86 0.00 1.88 1.83 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 Y 8.28 3.97 0.00 3.18 3.08 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 57 L 8.27 4.12 0.00 2.01 1.87 1.10 0.86 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 58 K 8.38 4.02 0.00 1.78 1.83 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.35 7.81 59 M 7.97 3.92 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 60 T 7.78 3.73 4.22 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 1.19 0.00 0.00 61 Q 8.29 3.92 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 62 R 8.00 3.85 0.00 1.86 2.08 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 63 I 7.89 3.66 1.80 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 1.37 0.81 0.85 0.00 0.00 64 S 7.92 4.13 0.00 4.17 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 65 M 8.41 4.04 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 66 R 8.42 4.15 0.00 1.96 2.06 0.00 3.41 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 67 F 8.30 4.37 0.00 3.27 3.29 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 0.00 0.00 0.00 0.00 68 Q 8.09 4.04 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 69 E 8.08 4.36 0.00 2.14 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 2.37 2.52 0.00 70 Y 7.80 4.35 0.00 2.92 2.87 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 71 H 8.35 3.94 0.00 3.19 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.16 3.75 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 1.59 0.73 0.88 0.00 0.00 73 Q 7.83 4.15 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 74 Q 7.71 4.29 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 75 N 7.97 4.72 0.00 2.76 2.61 0.00 0.00 6.93 6.90 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