NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3306 8.2644 123.5844 51.5101 20.6139 176.4058 2 K 4.1285 7.6323 111.9783 54.8801 34.9918 173.0280 3 E 4.3740 8.5126 119.8021 55.5709 30.7314 175.9820 4 D 4.6827 7.5087 117.9453 54.5340 43.0756 176.0365 5 N 4.7632 8.6382 120.8783 53.2955 39.4864 174.6221 6 I 4.4851 8.2451 125.0214 59.8750 39.5282 174.4869 7 E 4.5501 8.4702 124.3136 55.8523 30.7797 176.2623 8 M 4.5237 7.9816 119.6992 55.1712 34.4213 174.6259 9 Q 4.6067 7.6773 126.2348 55.9949 31.2257 173.5629 10 G 4.3438 7.7096 104.0222 46.8419 0.0000 171.7665 11 T 4.8121 8.1981 116.7056 61.5243 70.1640 174.9449 12 V 3.9495 8.2251 127.0497 63.7973 31.8511 176.1278 13 L 4.3312 8.8544 128.1880 55.4332 43.3496 176.6600 14 E 4.7879 7.9806 118.5420 54.3900 33.6510 174.5229 15 T 4.6723 8.4216 116.0105 59.1058 69.7702 174.2095 16 L 4.7212 7.8622 135.0000 53.4356 39.6686 177.0956 17 P 4.3036 0.0000 0.0000 66.3348 31.1121 177.2413 18 N 4.5228 7.3300 119.1990 53.8364 39.6201 176.7333 19 T 4.5735 7.0333 115.2838 63.0376 71.3820 171.9563 20 M 4.5573 7.2929 124.6016 53.0845 37.0000 174.4450 21 F 4.4651 8.5051 118.0285 56.4589 43.0504 174.7086 22 R 4.6453 9.2398 126.9948 55.4720 29.9427 174.3272 23 V 4.7536 8.8885 126.4064 60.9370 33.6946 174.0025 24 E 4.7269 8.6363 128.8746 55.3837 30.5938 176.1297 25 L 4.5544 8.6587 127.9669 54.1231 42.9293 178.1591 26 E 3.9606 8.7984 117.8980 59.2169 29.5645 177.7449 27 N 4.3753 8.1084 116.2688 54.4036 39.2223 175.4160 28 G 3.9546 8.0891 105.7642 43.9214 0.0000 172.6589 29 H 4.9719 7.7971 115.9694 53.5430 32.2203 173.3448 30 V 4.4713 8.3438 121.7466 62.7351 32.2172 175.5751 31 V 4.7665 8.9569 120.9800 59.8284 35.6900 174.7040 32 T 4.7108 8.3032 120.3651 62.8115 69.7463 173.9302 33 A 5.4550 9.3530 127.4155 49.4971 23.3019 174.2612 34 H 5.4358 8.2865 114.4105 53.4634 32.2512 173.7829 35 I 4.6023 8.4868 113.5815 60.0816 39.5655 175.6890 36 S 4.3685 8.3714 114.2567 59.0690 62.8373 175.6415 37 G 4.3088 8.4944 116.3453 47.0561 0.0000 176.8023 38 K 3.9407 8.0454 118.1377 59.7036 32.6831 178.7950 39 M 4.2447 8.1254 118.1222 56.9704 31.2048 178.1953 40 R 4.0112 7.3100 117.3411 59.0767 30.0833 177.6975 41 K 4.5252 7.9123 114.2951 56.0510 34.0332 176.1273 42 N 4.6317 7.8681 120.9271 52.0553 38.1626 173.9719 43 Y 4.9221 7.8513 119.5824 57.4161 38.8592 175.9871 44 I 4.0219 7.7455 129.9226 59.4745 35.6378 175.9423 45 R 3.1345 7.0605 118.8139 55.5482 30.2748 177.1287 46 I 4.6234 7.8351 113.0384 59.2470 40.9230 173.5920 47 L 4.9265 8.5723 122.3893 53.6804 45.1226 176.3447 48 T 4.4456 8.1949 114.9969 62.6080 66.0267 172.8223 49 G 3.4504 7.5386 115.3099 45.1810 0.0000 171.3397 50 D 4.6879 7.7520 119.5612 52.7057 43.3379 176.5718 51 K 4.5214 8.3096 120.4059 55.8369 30.3774 177.2251 52 V 3.8059 7.9269 116.0486 61.1905 33.3206 175.5331 53 T 4.5142 8.0965 119.2613 63.1546 70.8652 174.6328 54 V 4.6554 7.7214 122.0063 62.3643 33.5076 171.2913 55 E 4.6259 9.4853 128.0622 55.4670 31.1961 175.0082 56 L 5.3907 8.6978 125.6808 54.6163 44.6916 174.9753 57 T 4.5780 8.3019 108.5121 59.6400 70.4459 173.2161 58 P 4.3763 0.0000 0.0000 66.0463 31.6747 177.5720 59 Y 3.9643 8.2041 117.2247 59.9792 38.9163 175.4582 60 D 4.7970 7.7095 122.7793 52.6209 39.8583 176.2491 61 L 4.0109 7.9734 123.3392 56.3161 42.3114 178.4830 62 S 4.2733 8.1240 112.6503 59.5800 63.2047 172.9877 63 K 5.1068 6.8825 119.9218 55.2333 35.9987 174.4339 64 G 4.4189 8.1675 106.9056 47.0542 0.0000 173.0058 65 R 5.3405 7.9662 113.8264 56.4467 32.2536 172.3069 66 I 3.7148 8.5618 127.3922 61.7318 37.2746 176.5893 67 V 3.8266 8.5177 121.2796 61.2447 31.4774 176.5720 68 F 4.9225 7.7265 117.5198 54.7389 40.9116 175.9724 69 R 3.9244 8.7263 122.7955 57.4218 29.0216 175.5491 70 S 4.6028 8.3693 121.7455 59.0162 64.9902 174.8748 71 R 4.0731 7.8262 123.8012 56.4085 29.8554 175.6669 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 1 A 8.26 4.33 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 2 K 7.63 4.13 0.00 1.77 1.57 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.50 7.81 3 E 8.51 4.37 0.00 2.15 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 2.26 2.30 0.00 4 D 7.51 4.68 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.76 0.00 2.67 2.89 0.00 0.00 7.12 7.47 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 6 I 8.25 4.49 1.86 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 1.29 0.98 0.91 0.00 0.00 7 E 8.47 4.55 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 8 M 7.98 4.52 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 9 Q 7.68 4.61 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 10 G 7.71 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 0.00 0.00 0.00 0.00 11 T 8.20 4.81 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 1.22 0.00 0.00 12 V 8.23 3.95 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 1.19 0.00 0.00 1.18 0.00 0.00 13 L 8.85 4.33 0.00 1.74 1.71 0.93 0.71 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 14 E 7.98 4.79 0.00 1.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 15 T 8.42 4.67 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 1.40 0.00 0.00 16 L 7.86 4.72 0.00 1.32 0.75 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.30 0.00 2.14 2.05 0.00 3.67 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 1.93 1.95 0.00 18 N 7.33 4.52 0.00 2.69 2.77 0.00 0.00 6.66 7.51 0.00 0.00 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 7.03 4.57 4.19 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 1.50 0.00 0.00 20 M 7.29 4.56 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 21 F 8.51 4.47 0.00 2.83 2.94 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 0.00 0.00 0.00 22 R 9.24 4.65 0.00 1.81 1.83 0.00 3.06 0.00 0.00 3.09 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 23 V 8.89 4.75 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 1.07 0.00 0.00 1.12 0.00 0.00 24 E 8.64 4.73 0.00 2.19 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 25 L 8.66 4.55 0.00 1.86 1.71 0.93 0.54 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 26 E 8.80 3.96 0.00 2.06 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 2.29 2.28 0.00 27 N 8.11 4.38 0.00 2.70 2.90 0.00 0.00 7.12 7.93 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 28 G 8.09 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 0.00 0.00 0.00 29 H 7.80 4.97 0.00 3.05 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.34 4.47 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 0.73 0.00 0.00 0.98 0.00 0.00 31 V 8.96 4.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 32 T 8.30 4.71 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 1.19 0.00 0.00 33 A 9.35 5.46 1.23 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 0.00 0.00 0.00 34 H 8.29 5.44 0.00 3.26 3.44 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.49 4.60 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 1.02 0.00 0.00 36 S 8.37 4.37 0.00 3.96 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 37 G 8.49 4.31 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 0.00 0.00 0.00 38 K 8.05 3.94 0.00 1.90 1.98 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.47 7.81 39 M 8.13 4.24 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 40 R 7.31 4.01 0.00 2.10 2.01 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 41 K 7.91 4.53 0.00 1.71 1.86 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.53 7.81 42 N 7.87 4.63 0.00 2.78 2.77 0.00 0.00 6.72 7.44 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 43 Y 7.85 4.92 0.00 2.99 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 44 I 7.75 4.02 1.87 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 1.41 0.93 0.86 0.00 0.00 45 R 7.06 3.13 0.00 1.56 0.91 0.00 2.85 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 46 I 7.84 4.62 1.78 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.85 0.00 0.00 47 L 8.57 4.93 0.00 1.74 1.73 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.19 4.45 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 49 G 7.54 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.75 4.69 0.00 2.72 2.53 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 51 K 8.31 4.52 0.00 1.60 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 52 V 7.93 3.81 1.92 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 0.36 0.00 0.00 1.01 0.00 0.00 53 T 8.10 4.51 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 54 V 7.72 4.66 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 0.97 0.00 0.00 0.92 0.00 0.00 55 E 9.49 4.63 0.00 2.00 1.78 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 2.37 2.29 0.00 56 L 8.70 5.39 0.00 1.79 1.77 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 4.58 4.31 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 1.29 0.00 0.00 58 P 0.00 4.38 0.00 2.14 2.21 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 59 Y 8.20 3.96 0.00 2.90 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 60 D 7.71 4.80 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.01 0.00 1.62 1.67 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.12 4.27 0.00 4.00 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 0.00 63 K 6.88 5.11 0.00 1.53 1.76 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.51 7.81 64 G 8.17 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 5.34 0.00 2.09 2.01 0.00 3.23 0.00 0.00 3.38 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 66 I 8.56 3.71 1.80 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 0.91 1.69 0.84 0.00 0.00 67 V 8.52 3.83 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 0.94 0.00 0.00 0.81 0.00 0.00 68 F 7.73 4.92 0.00 3.00 2.95 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 69 R 8.73 3.92 0.00 1.80 1.99 0.00 3.25 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 70 S 8.37 4.60 0.00 3.71 3.76 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 0.00 0.00 0.00 0.00 71 R 7.83 4.07 0.00 1.72 1.75 0.00 3.26 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00