NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7080 8.2833 119.2064 53.1606 39.6016 174.6531 6 I 3.5389 8.3985 128.0542 63.6036 37.0610 176.3430 7 Q 3.8513 8.8894 121.1499 59.4841 29.2927 177.7083 8 D 4.3360 9.4696 120.7259 57.3919 40.8557 178.7098 9 Q 3.9198 7.9486 119.4243 59.1448 29.0946 177.9831 10 F 3.9333 8.4780 121.9121 61.4786 39.4559 177.1528 11 L 3.5630 7.9042 118.5968 57.5013 41.2281 179.0466 12 N 4.5194 8.5367 117.5392 56.5917 38.8011 177.0426 13 Q 3.9098 8.1618 119.9301 58.9770 28.9001 178.9049 14 I 3.5991 7.3935 115.1254 62.8430 37.5234 178.2968 15 R 4.0419 8.1420 122.4924 58.8508 29.8578 178.6160 16 K 4.0425 7.9366 116.4686 59.2956 32.9221 177.5267 17 E 4.1800 8.3419 117.3827 55.8909 29.6243 175.7885 18 N 4.0715 7.7970 115.3920 54.2574 37.0349 174.5788 19 T 4.1023 7.6265 114.1545 63.5209 69.9610 174.3936 20 Y 4.3933 8.7114 124.4295 58.0431 39.3631 175.2123 21 V 4.9943 8.9673 123.0215 60.3312 35.2913 174.5026 22 T 4.5680 8.7104 120.8849 62.8080 70.1569 173.7771 23 V 4.4862 8.8591 126.8543 61.3419 33.4267 174.2412 24 F 5.0203 9.0420 127.7260 56.3233 40.9041 176.0748 25 L 4.8226 8.8260 123.7838 53.2372 43.3792 177.6810 26 L 4.0785 8.7539 120.9734 58.1097 41.5576 178.4681 27 N 4.6673 8.2509 113.1082 52.5720 37.3939 176.1241 28 G 4.0642 8.6267 108.0648 45.7227 0.0000 174.3491 29 F 4.1783 8.8088 123.1208 58.3212 39.9847 173.3891 30 Q 4.6989 6.9159 125.1355 53.8803 31.0336 174.7974 31 L 4.8055 8.6467 123.6831 52.8006 45.2065 175.4180 32 R 4.8718 8.7292 121.6899 54.1672 32.9026 175.8211 33 G 4.1309 7.8414 111.7812 46.2914 0.0000 170.9525 34 Q 4.7153 7.9004 118.8773 53.9368 32.1501 175.1007 35 V 4.4582 8.2134 122.5318 62.3530 32.7386 176.1039 36 K 4.5235 9.2966 126.4331 55.7438 33.6135 176.1271 37 G 3.9909 7.7453 109.1291 45.7496 0.0000 171.7514 38 F 5.0786 7.9339 112.8976 56.5138 39.3419 172.8408 39 D 4.5551 8.6993 119.4583 52.5185 41.7740 175.0519 40 N 4.2179 8.9209 115.1396 56.2182 38.6264 175.7759 41 F 4.9432 7.9303 111.4513 57.4634 41.0933 174.7640 42 T 5.2279 8.4005 110.0956 60.1056 72.7397 172.9465 43 V 4.7882 8.9049 121.5896 61.1225 35.4412 173.9083 44 L 4.9290 9.1905 130.1088 53.6467 43.6063 174.4361 45 L 5.0249 8.7547 129.5191 53.4416 44.4233 174.4696 46 E 5.1136 9.6473 127.8995 54.6489 31.9173 174.4915 47 S 4.9225 8.9101 123.7642 56.5797 65.6987 174.3532 48 E 3.8424 9.8463 124.8987 57.3433 27.9966 176.0969 49 G 3.9219 8.3483 105.0548 46.7429 0.0000 174.0389 50 K 4.1720 8.0377 122.8263 55.8880 32.8296 175.5718 51 Q 4.6658 8.5583 125.5362 55.8110 29.8381 175.3073 52 Q 4.5076 9.3893 122.7247 53.9112 32.2817 174.3525 53 L 4.6465 8.6674 127.1105 54.4904 42.7100 175.5298 54 I 4.5217 8.5175 128.3501 59.4356 39.8624 175.1935 55 Y 4.5383 8.5019 124.7923 57.5362 38.5495 176.7144 56 K 3.9571 9.3901 125.6230 59.9136 32.4249 178.9111 57 H 4.2180 8.3405 112.5367 57.9887 28.5296 175.7652 58 A 4.4302 8.3067 122.2054 52.4719 19.1581 176.5213 59 I 4.4611 7.6948 117.7332 60.1532 38.5789 175.5385 60 S 4.4925 8.9140 120.7246 60.5821 62.8753 174.3075 61 T 4.7467 7.5424 114.7236 62.2108 73.0052 172.1455 62 F 5.3667 9.0202 123.6991 55.7766 41.5352 174.9717 63 A 4.9233 9.3873 125.7874 49.4111 21.0231 173.5930 64 P 4.7013 0.0000 0.0000 63.5216 32.1694 176.4587 65 Q 4.2249 9.2389 124.2831 59.0086 29.0581 176.8549 66 K 4.7090 7.8103 115.9745 54.0625 34.7990 175.9657 67 N 4.5387 8.5913 119.0752 53.4260 39.1687 174.5402 68 V 4.2673 8.0827 120.1586 61.0869 33.3494 175.2362 69 Q 4.3247 8.4924 126.2761 55.3480 29.4463 175.0157 70 L 5.0256 8.1873 120.9621 53.2815 46.1624 176.2718 71 E 4.2802 9.9694 119.5042 56.7844 30.1002 176.2198 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 N 8.28 4.71 0.00 2.75 2.82 0.00 0.00 7.08 6.72 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 6 I 8.40 3.54 1.84 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 1.52 0.10 0.88 0.00 0.00 7 Q 8.89 3.85 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 8 D 9.47 4.34 0.00 2.79 2.82 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 0.00 0.00 0.00 9 Q 7.95 3.92 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 10 F 8.48 3.93 0.00 3.14 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 11 L 7.90 3.56 0.00 0.59 0.35 0.25 -0.30 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 12 N 8.54 4.52 0.00 3.13 2.86 0.00 0.00 7.21 7.07 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 13 Q 8.16 3.91 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 14 I 7.39 3.60 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.99 0.24 0.00 0.00 15 R 8.14 4.04 0.00 2.04 2.21 0.00 3.22 0.00 0.00 3.47 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 16 K 7.94 4.04 0.00 1.90 2.00 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.38 7.81 17 E 8.34 4.18 0.00 1.96 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 2.39 2.36 0.00 18 N 7.80 4.07 0.00 2.75 2.73 0.00 0.00 6.96 6.82 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 19 T 7.63 4.10 4.12 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 1.20 0.00 0.00 20 Y 8.71 4.39 0.00 3.09 2.96 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 0.00 0.00 0.00 21 V 8.97 4.99 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 0.87 0.00 0.00 1.25 0.00 0.00 22 T 8.71 4.57 4.11 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 0.00 0.00 0.31 0.00 0.00 23 V 8.86 4.49 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 0.70 0.00 0.00 0.99 0.00 0.00 24 F 9.04 5.02 0.00 2.93 2.93 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 25 L 8.83 4.82 0.00 1.90 1.76 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.75 4.08 0.00 1.66 1.79 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.25 4.67 0.00 2.88 2.95 0.00 0.00 6.09 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 28 G 8.63 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 29 F 8.81 4.18 0.00 3.12 3.04 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 0.00 0.00 0.00 30 Q 6.92 4.70 0.00 1.42 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.50 0.00 0.00 0.00 0.00 0.00 1.56 2.26 0.00 31 L 8.65 4.81 0.00 1.54 1.55 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.73 4.87 0.00 1.66 1.71 0.00 3.60 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.70 0.00 33 G 7.84 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.90 4.72 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.87 0.00 0.00 0.00 0.00 0.00 1.71 1.36 0.00 35 V 8.21 4.46 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 1.10 0.00 0.00 0.97 0.00 0.00 36 K 9.30 4.52 0.00 1.62 1.80 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.64 7.81 37 G 7.75 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 38 F 7.93 5.08 0.00 3.19 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 39 D 8.70 4.56 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.92 4.22 0.00 2.29 2.14 0.00 0.00 6.62 7.45 0.00 0.00 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 F 7.93 4.94 0.00 3.33 3.30 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 42 T 8.40 5.23 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 0.89 0.00 0.00 43 V 8.90 4.79 2.24 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 1.21 0.00 0.00 1.16 0.00 0.00 44 L 9.19 4.93 0.00 1.76 1.56 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.75 5.02 0.00 1.87 1.54 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.65 5.11 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 47 S 8.91 4.92 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.85 3.84 0.00 2.23 2.12 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 2.21 2.31 0.00 49 G 8.35 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 0.00 0.00 0.00 50 K 8.04 4.17 0.00 1.80 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 51 Q 8.56 4.67 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 52 Q 9.39 4.51 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 53 L 8.67 4.65 0.00 1.58 1.51 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.52 4.52 1.90 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 1.25 0.68 0.94 0.00 0.00 55 Y 8.50 4.54 0.00 2.86 2.33 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 56 K 9.39 3.96 0.00 1.97 1.99 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.62 1.53 7.81 57 H 8.34 4.22 0.00 3.28 3.53 0.00 5.52 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 8.31 4.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.46 1.93 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 1.06 0.77 0.44 0.00 0.00 60 S 8.91 4.49 0.00 3.86 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 61 T 7.54 4.75 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 1.19 0.00 0.00 62 F 9.02 5.37 0.00 2.86 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 63 A 9.39 4.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.70 0.00 2.36 2.11 0.00 3.99 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 65 Q 9.24 4.22 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 66 K 7.81 4.71 0.00 1.76 1.69 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 67 N 8.59 4.54 0.00 2.73 2.79 0.00 0.00 6.76 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 68 V 8.08 4.27 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 0.58 0.00 0.00 0.79 0.00 0.00 69 Q 8.49 4.32 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 70 L 8.19 5.03 0.00 1.60 1.68 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.97 4.28 0.00 1.95 1.79 0.00 0.00 0.00 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 2.21 0.00