NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4138 8.2993 120.1129 56.2121 34.8822 174.8411 4 I 4.3748 7.7886 114.9294 58.4664 41.2860 172.8827 5 K 5.0212 8.2488 121.7246 55.3366 35.9084 177.2173 6 G 4.2284 8.6630 108.3478 46.1823 0.0000 171.2586 7 N 5.6216 8.8424 116.2193 50.9939 42.9773 174.6104 8 V 3.9837 8.8786 123.9383 63.4848 32.0086 176.5083 9 K 4.1303 9.2479 130.7054 59.0625 32.7346 176.8347 10 W 5.0751 8.1641 127.1425 56.5751 34.0673 172.7352 11 F 4.7119 8.0345 127.2561 56.6950 42.5445 172.6423 12 N 4.1174 6.9927 124.7773 51.5619 39.9145 174.8201 13 E 4.0923 8.8194 126.6625 59.7360 29.8470 178.8433 14 S 4.1613 7.9256 111.3372 60.9127 62.6605 175.1369 15 K 4.1402 8.3617 119.0271 57.3884 32.2018 177.7693 16 G 4.0248 9.3122 106.9755 45.1566 0.0000 172.4116 17 F 5.0682 6.7649 112.5632 55.8335 41.6747 173.3965 18 G 4.6946 8.2697 104.7245 46.3678 0.0000 172.0688 19 F 5.4347 9.3945 118.1529 55.8238 43.8156 174.0834 20 I 4.8624 8.8921 122.5125 59.8768 40.4211 174.8201 21 T 4.9748 8.8877 124.0781 60.9022 69.6269 173.0744 22 P 4.9681 0.0000 0.0000 62.2718 32.1580 177.6342 23 E 4.0586 9.1071 122.2438 59.5426 29.4558 178.1008 24 D 4.4717 8.0800 115.4954 53.6697 39.7607 177.1022 25 G 3.9052 8.2301 108.7655 45.6316 0.0000 173.8839 26 S 4.5024 8.0873 114.6004 56.9478 64.2691 173.9910 27 K 4.2312 8.2771 119.3790 56.2365 32.3475 176.9737 28 D 4.8700 8.6109 121.2955 54.8464 42.1994 175.6238 29 V 4.6987 8.8071 115.4792 59.2061 34.9748 175.2249 30 F 4.0940 8.6455 125.9601 58.2549 40.7661 174.2736 31 V 4.3728 7.4417 123.8474 60.1730 34.5494 173.8105 32 H 5.1076 8.4682 124.4544 54.4301 31.5079 175.8403 33 F 4.3498 8.9959 119.7404 59.7702 37.8002 177.5280 34 S 3.8714 7.0802 114.1414 60.0144 63.2579 174.9059 35 A 4.0880 8.0895 124.5124 54.0752 18.5232 176.7992 36 I 4.2424 7.5312 117.5821 61.1035 37.5174 176.3391 37 Q 4.4717 8.9501 128.3192 55.7938 29.1303 175.1626 38 T 4.3703 8.5571 112.1698 60.9340 71.2859 172.8857 39 N 4.0994 9.5871 118.4778 54.5039 36.3721 173.2088 40 G 3.9135 7.7994 105.5124 43.8730 0.0000 173.5952 41 F 4.1182 8.5520 123.0137 57.6784 39.6599 176.5114 42 K 4.3753 8.4823 127.1880 55.2278 30.4400 175.1305 43 T 4.3812 7.2549 114.2855 60.1223 71.3186 172.4368 44 L 4.5260 6.4613 122.0519 52.6312 45.6912 176.0369 45 A 4.4566 8.4060 125.1481 50.1402 20.2311 176.8371 46 E 4.1199 8.5879 119.7082 58.2803 29.6630 177.4269 47 G 3.9887 9.2471 112.8667 44.8499 0.0000 173.4617 48 Q 4.0545 7.8849 122.2553 56.1701 30.2572 175.5022 49 R 4.6852 8.6444 127.0695 56.5768 31.5106 175.4287 50 V 5.0485 9.0678 118.4568 59.7714 36.8465 173.7139 51 E 5.3690 9.1406 123.0784 54.8529 32.8748 174.5668 52 F 5.3777 8.4848 119.2336 56.4897 42.0575 172.2519 53 E 4.9365 9.3593 118.6249 54.5710 32.7137 175.4477 54 I 4.9875 8.3177 123.4029 60.7973 38.3928 175.3250 55 T 4.6999 9.1876 117.0337 59.8325 72.2895 173.4408 56 N 4.8757 8.8973 120.9725 52.8930 38.7936 174.2489 57 G 4.2586 8.6132 115.4826 43.2670 0.0000 171.9313 58 A 3.9291 8.5942 120.8147 54.7188 18.3113 178.7783 59 K 4.1639 7.8873 112.8240 55.9820 32.7616 177.8254 60 G 3.7857 7.9254 107.9534 43.5751 0.0000 170.6797 61 P 4.8117 0.0000 0.0000 63.5864 32.3890 175.9850 62 S 5.1066 9.5186 119.5753 56.8129 67.9628 172.5516 63 A 5.2838 8.8696 123.5262 50.9016 19.9291 176.7209 64 A 4.6624 9.3124 123.5985 49.8224 22.7702 175.1313 65 N 4.2762 8.4052 114.7981 53.4391 37.4439 175.0322 66 V 4.3988 8.0218 119.2674 62.8205 33.1568 175.6274 67 T 5.0922 9.0893 118.2864 59.4322 71.9431 173.3848 68 A 4.4037 8.6460 125.2767 52.1295 19.4286 177.4687 69 L 4.3380 8.3215 120.3265 54.8211 41.5885 176.6275 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 3 K 8.30 4.41 0.00 1.68 1.95 0.00 1.22 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.44 7.81 4 I 7.79 4.37 1.67 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 0.69 -0.36 0.77 0.00 0.00 5 K 8.25 5.02 0.00 1.85 1.75 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.36 7.81 6 G 8.66 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 0.00 0.00 0.00 0.00 7 N 8.84 5.62 0.00 2.73 2.70 0.00 0.00 7.09 7.20 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 8 V 8.88 3.98 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 0.99 0.00 0.00 0.88 0.00 0.00 9 K 9.25 4.13 0.00 1.93 2.14 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.47 7.81 10 W 8.16 5.08 0.00 3.41 2.97 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 0.00 0.00 0.00 11 F 8.03 4.71 0.00 2.98 2.81 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 12 N 6.99 4.12 0.00 1.81 1.77 0.00 0.00 6.96 8.09 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 13 E 8.82 4.09 0.00 1.92 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 0.00 2.45 2.26 0.00 14 S 7.93 4.16 0.00 3.76 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 15 K 8.36 4.14 0.00 1.72 2.19 0.00 1.88 0.00 0.00 2.07 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.49 7.81 16 G 9.31 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 0.00 0.00 0.00 17 F 6.76 5.07 0.00 2.86 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 18 G 8.27 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.39 5.43 0.00 3.14 3.02 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 20 I 8.89 4.86 1.46 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.68 0.00 0.00 21 T 8.89 4.97 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 1.27 0.00 0.00 22 P 0.00 4.97 0.00 2.44 2.14 0.00 3.88 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 23 E 9.11 4.06 0.00 2.04 2.05 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 2.39 2.35 0.00 24 D 8.08 4.47 0.00 2.80 2.79 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 0.00 0.00 0.00 25 G 8.23 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.50 0.00 4.05 3.96 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 27 K 8.28 4.23 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 28 D 8.61 4.87 0.00 2.65 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 29 V 8.81 4.70 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 0.87 0.00 0.00 0.89 0.00 0.00 30 F 8.65 4.09 0.00 2.96 2.86 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 0.00 0.00 0.00 31 V 7.44 4.37 1.85 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 0.75 0.00 0.00 0.85 0.00 0.00 32 H 8.47 5.11 0.00 3.34 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.00 4.35 0.00 3.50 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.08 3.87 0.00 3.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.09 1.38 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 0.00 0.00 0.00 36 I 7.53 4.24 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.87 0.00 0.00 37 Q 8.95 4.47 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 38 T 8.56 4.37 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 1.21 0.00 0.00 39 N 9.59 4.10 0.00 2.87 2.92 0.00 0.00 7.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.12 0.00 3.05 2.98 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 0.00 0.00 0.00 42 K 8.48 4.38 0.00 1.92 2.05 0.00 1.90 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.57 7.81 43 T 7.25 4.38 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 1.11 0.00 0.00 44 L 6.46 4.53 0.00 0.72 1.16 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.41 4.46 1.19 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 0.00 0.00 46 E 8.59 4.12 0.00 2.12 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 2.25 2.32 0.00 47 G 9.25 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 48 Q 7.88 4.05 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 49 R 8.64 4.69 0.00 1.96 1.80 0.00 3.19 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 50 V 9.07 5.05 2.18 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 0.65 0.00 0.00 1.06 0.00 0.00 51 E 9.14 5.37 0.00 2.01 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 2.16 2.28 0.00 52 F 8.48 5.38 0.00 3.27 3.10 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 0.00 53 E 9.36 4.94 0.00 1.93 1.87 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 2.19 2.29 0.00 54 I 8.32 4.99 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 1.00 0.00 0.00 55 T 9.19 4.70 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 N 8.90 4.88 0.00 2.64 2.86 0.00 0.00 6.74 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.59 3.93 1.19 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 0.00 0.00 59 K 7.89 4.16 0.00 1.01 1.23 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.89 0.46 7.81 60 G 7.93 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.81 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 62 S 9.52 5.11 0.00 3.80 3.97 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 0.00 0.00 0.00 63 A 8.87 5.28 0.95 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 64 A 9.31 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.41 4.28 0.00 2.83 2.95 0.00 0.00 7.30 7.71 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 66 V 8.02 4.40 2.17 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 0.89 0.00 0.00 0.93 0.00 0.00 67 T 9.09 5.09 4.26 0.00 0.00 0.00 0.00 0.00 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 68 A 8.65 4.40 1.24 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 0.00 0.00 0.00 69 L 8.32 4.34 0.00 1.71 1.58 0.99 0.87 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