NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3325 8.2644 123.5830 51.8600 19.5212 175.9477 3 K 4.3293 8.4092 123.5936 54.2222 35.0679 173.1609 4 H 4.3997 10.4147 127.4782 55.8486 31.6675 173.5096 5 P 3.7989 0.0000 0.0000 62.0381 27.7862 175.4819 6 V 3.8781 8.0377 116.4563 60.2135 32.3389 175.0449 7 P 4.3791 0.0000 0.0000 65.8587 32.5119 179.7551 8 K 3.6628 8.7476 116.3084 56.1879 31.1572 177.8540 9 K 4.0343 9.2496 119.6900 57.6856 33.5123 176.7147 10 K 4.7321 8.3073 120.1889 55.1038 35.5417 176.7669 11 T 4.7795 7.7970 106.9610 60.8474 69.6414 173.6412 12 S 4.8029 7.5387 132.1000 58.0655 61.8155 178.5572 13 K 4.1029 8.6020 121.0271 56.9877 31.6695 172.5103 14 S 4.0120 8.1465 113.0275 59.3211 61.2620 173.7109 15 K 4.2145 7.3261 122.5146 57.1852 34.4183 177.9052 16 R 3.9329 8.7495 120.5760 57.4886 28.7386 176.1001 17 D 4.7589 7.6871 112.3436 56.2002 43.5273 176.8130 18 M 4.6750 7.7241 117.8836 54.4236 30.2790 176.9923 19 R 4.6280 7.4896 111.9882 56.1546 34.8563 176.1004 20 R 4.6610 7.1500 116.5928 53.3900 29.4965 173.4743 21 S 4.5657 7.5595 113.2619 59.2424 68.6816 174.9551 22 H 4.5823 8.3670 117.8694 56.2556 28.9666 173.9199 23 H 4.7688 7.5490 116.6454 53.6919 37.4525 174.2729 24 A 3.6919 7.4778 123.2084 51.0634 18.5305 176.7246 25 L 4.3076 7.0898 110.7398 53.7091 45.2642 175.4282 26 T 3.8750 8.6967 121.4168 64.0896 68.6522 170.2280 27 A 3.8841 7.5964 132.5743 50.9401 20.5141 174.2028 28 P 4.7389 0.0000 0.0000 61.7265 31.0562 176.0114 29 N 4.0546 9.1866 111.5301 53.6317 35.5423 171.1053 30 L 4.5288 7.7302 117.4876 54.8197 44.6777 176.9924 31 T 4.6865 7.4738 114.0106 62.1554 72.2959 174.4994 32 E 4.5945 7.7711 119.3691 55.4854 30.2486 172.6724 33 C 4.0776 7.9462 121.6222 58.1606 28.6297 172.0820 34 P 4.4178 0.0000 0.0000 65.5090 30.5691 176.7153 35 Q 4.4420 7.1554 112.8240 57.1727 31.8946 175.5539 36 C 4.3613 7.9923 119.0384 61.0696 31.0281 175.6382 37 H 3.6469 9.0272 123.1477 56.3281 29.6001 177.8279 38 G 5.0171 5.3800 118.9088 45.4711 0.0000 171.6419 39 K 4.3568 8.1415 124.5743 54.5203 33.5335 177.6318 40 K 4.2859 9.4402 130.0852 55.7932 33.2161 176.2310 41 L 3.4984 7.5946 116.4935 54.6323 40.6043 174.4652 42 S 4.3370 8.3710 111.1149 58.8986 60.6175 173.7196 43 H 4.1047 8.7600 125.9734 56.0632 25.6762 175.2592 44 H 4.7197 9.0511 118.9931 55.5194 32.4455 172.1814 45 I 3.5175 8.6430 126.5506 61.0960 39.3683 174.3318 46 C 3.2346 7.7044 113.7427 57.7916 29.4087 172.5329 47 P 4.4936 0.0000 0.0000 62.9467 30.8196 173.9146 48 N 4.3971 8.5810 118.1814 54.7887 36.9830 176.2764 49 C 3.8667 9.1249 126.2085 60.6734 29.4080 173.4017 50 G 3.9394 7.4656 107.3379 44.5614 0.0000 173.0826 51 Y 4.9445 7.1094 113.1417 55.8883 40.6536 174.2218 52 Y 4.4857 8.7026 119.8056 59.0381 38.8766 175.0677 53 D 4.3688 7.0965 122.7720 54.2540 44.5310 175.8151 54 G 3.7596 7.2354 106.0286 44.1514 0.0000 171.9923 55 R 3.4755 6.8194 117.9510 54.4676 30.3513 175.0891 56 Q 4.4790 9.0874 125.5252 56.1921 31.9254 173.6676 57 V 3.3544 8.2788 119.0899 65.6772 31.5395 171.2739 58 L 4.2582 8.3398 113.5315 54.3595 44.6791 174.8442 59 A 4.1602 9.0689 127.6629 52.8631 18.1405 177.0600 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 2 A 8.26 4.33 1.28 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 0.00 0.00 0.00 3 K 8.41 4.33 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 4 H 10.41 4.40 0.00 3.11 3.21 0.00 5.99 0.00 0.00 0.00 0.00 6.86 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 3.80 0.00 2.01 2.12 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 6 V 8.04 3.88 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 0.72 0.00 0.00 0.92 0.00 0.00 7 P 0.00 4.38 0.00 2.17 2.19 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 8 K 8.75 3.66 0.00 1.88 1.48 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 K 9.25 4.03 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 10 K 8.31 4.73 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.55 7.81 11 T 7.80 4.78 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 12 S 7.54 4.80 0.00 3.85 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 13 K 8.60 4.10 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 S 8.15 4.01 0.00 4.08 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 15 K 7.33 4.21 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.36 7.81 16 R 8.75 3.93 0.00 2.02 2.00 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 D 7.69 4.76 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.72 4.68 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 19 R 7.49 4.63 0.00 1.74 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 R 7.15 4.66 0.00 1.78 1.81 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 21 S 7.56 4.57 0.00 3.81 3.80 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 0.00 0.00 0.00 22 H 8.37 4.58 0.00 3.18 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.55 4.77 0.00 3.08 3.15 0.00 6.13 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 24 A 7.48 3.69 1.26 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 25 L 7.09 4.31 0.00 1.56 1.42 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 3.88 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 1.20 0.00 0.00 27 A 7.60 3.88 1.35 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 0.00 0.00 0.00 28 P 0.00 4.74 0.00 2.13 1.18 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 29 N 9.19 4.05 0.00 2.86 2.87 0.00 0.00 6.69 7.78 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 30 L 7.73 4.53 0.00 1.65 1.61 0.92 0.91 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 31 T 7.47 4.69 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 32 E 7.77 4.59 0.00 2.00 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 2.27 2.36 0.00 33 C 7.95 4.08 0.00 3.15 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 34 P 0.00 4.42 0.00 2.24 2.44 0.00 3.61 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 2.29 2.23 0.00 35 Q 7.16 4.44 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 C 7.99 4.36 0.00 2.83 2.83 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 0.00 0.00 0.00 37 H 9.03 3.65 0.00 3.13 2.66 0.00 6.07 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 38 G 5.38 5.02 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 39 K 8.14 4.36 0.00 1.66 1.52 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 9.44 4.29 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 L 7.59 3.50 0.00 1.86 1.73 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.34 0.00 3.81 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 43 H 8.76 4.10 0.00 3.34 3.37 0.00 5.76 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.05 4.72 0.00 3.03 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.64 3.52 1.83 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.98 0.00 0.00 46 C 7.70 3.23 0.00 2.95 2.40 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 0.00 47 P 0.00 4.49 0.00 2.10 2.37 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 48 N 8.58 4.40 0.00 2.67 2.42 0.00 0.00 7.14 7.66 0.00 0.00 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 C 9.12 3.87 0.00 2.45 1.68 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 50 G 7.47 3.94 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 0.00 0.00 0.00 51 Y 7.11 4.94 0.00 2.97 2.91 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 52 Y 8.70 4.49 0.00 3.09 3.14 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 53 D 7.10 4.37 0.00 1.81 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 0.00 0.00 0.00 0.00 54 G 7.24 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 0.00 0.00 0.00 55 R 6.82 3.48 0.00 1.77 1.77 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 56 Q 9.09 4.48 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 V 8.28 3.35 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 0.80 0.00 0.00 1.02 0.00 0.00 58 L 8.34 4.26 0.00 1.60 1.48 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.07 4.16 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