NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1787 8.2549 117.2638 54.7744 30.9852 175.0017 2 P 4.0256 0.0000 0.0000 60.7519 31.9983 176.2314 3 D 4.3410 8.4018 121.9987 56.4763 40.0673 178.3676 4 F 4.4061 7.7979 114.9624 59.2686 37.7247 177.5782 5 C 4.5751 7.2811 115.9491 58.8143 40.0957 174.5439 6 L 4.3905 7.6147 118.7361 53.8817 42.1976 176.4589 7 E 4.3593 7.3323 119.4105 54.7910 30.3444 174.9379 8 P 4.4805 0.0000 0.0000 61.4420 32.2106 174.4398 9 P 3.5765 0.0000 0.0000 62.9382 31.2194 175.1619 10 Y 4.5898 7.8992 122.2154 56.0770 39.7209 175.3364 11 T 4.1904 8.2126 125.6154 64.8568 68.8696 176.2445 12 G 3.8380 6.8602 104.6942 44.1822 0.0000 171.3710 13 P 4.3153 0.0000 0.0000 64.9063 32.1215 177.9018 14 C 4.4990 7.9021 116.5180 56.9316 40.7294 173.5224 15 K 4.6950 8.2038 119.7209 56.1712 32.0320 176.4461 16 A 4.3600 7.7595 121.0480 51.1594 21.3040 177.5419 17 R 4.4147 8.3490 118.8701 54.3326 31.0509 173.0424 18 I 4.4709 8.3827 125.0049 58.8520 40.1020 174.6735 19 I 4.2180 8.3351 128.5990 61.1747 37.8046 175.4959 20 R 4.7366 8.2784 124.9042 54.6312 34.9822 173.5856 21 Y 5.6899 9.5537 117.8252 56.7407 40.7761 175.3367 22 F 5.6412 9.7499 116.9499 55.5331 41.8182 172.7863 23 Y 4.4754 9.7374 122.9644 57.2337 39.9670 173.8341 24 N 4.6134 8.5159 127.4144 51.8392 37.4621 175.1819 25 A 3.8144 8.4455 130.4379 54.7989 18.9017 179.5619 26 K 4.1236 7.7800 114.8930 58.6555 32.3000 177.2347 27 A 4.3765 7.2366 118.8179 51.0275 20.0095 177.0502 28 G 3.8203 8.2741 103.6608 45.4954 0.0000 172.9286 29 L 4.6202 6.7538 119.4876 53.4897 46.3157 174.6698 30 C 5.0493 8.5596 119.2493 55.9469 38.5322 173.2361 31 Q 4.9079 8.6991 122.0807 54.2945 33.0956 174.3076 32 T 5.0974 8.4614 110.2765 61.1606 70.9481 173.6966 33 F 4.9503 8.6655 116.5529 55.9641 42.0322 173.0335 34 V 4.2936 8.3885 119.8372 62.0710 32.1140 174.2415 35 Y 4.7728 8.8694 130.4383 56.2346 40.2190 176.5166 36 G 3.8605 8.3553 113.2769 46.3740 0.0000 175.0147 37 G 3.8750 6.4229 106.9186 45.3227 0.0000 172.3734 38 C 4.8678 7.0946 111.2775 55.6608 44.6432 173.4775 39 R 3.7460 8.7686 117.4221 57.4709 26.9163 176.6384 40 A 4.3258 7.9154 119.0965 52.2317 19.4766 177.8485 41 K 4.3652 8.1690 120.1642 54.7586 34.1527 177.2236 42 R 3.5837 8.0617 117.9715 59.0569 30.4133 177.6411 43 N 4.7255 7.8003 117.7359 51.4937 37.4063 174.5889 44 N 4.9764 6.5917 116.5965 52.8822 41.2231 173.0249 45 F 5.0799 9.6365 125.0111 55.6537 42.1020 176.7604 46 K 4.5483 8.8396 121.7410 57.9091 32.8776 177.7161 47 S 4.5833 7.7706 112.9949 55.6796 67.1256 174.6897 48 A 3.4345 7.4307 125.1164 54.7388 18.0753 180.0420 49 E 3.7600 7.7603 115.9345 59.7490 29.7549 178.8598 50 D 4.2566 7.8325 118.7820 56.6880 41.1755 177.4157 51 C 2.0000 7.5300 118.7619 59.3202 44.0687 175.5917 52 M 3.8393 8.0556 120.5620 58.0688 31.2130 178.8204 53 R 3.7992 7.5536 118.4947 59.5074 30.3215 178.3533 54 T 4.1435 7.5046 114.5525 65.9055 68.7925 175.4795 55 C 4.5589 7.9395 115.1746 56.0818 41.2346 174.2306 56 G 3.7209 7.7812 115.3196 45.8129 0.0000 173.3757 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 R 8.25 4.18 0.00 1.71 1.86 0.00 2.86 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 2 P 0.00 4.03 0.00 1.09 1.69 0.00 3.28 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 3 D 8.40 4.34 0.00 2.86 2.90 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 0.00 0.00 0.00 0.00 4 F 7.80 4.41 0.00 3.30 3.38 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 5 C 7.28 4.58 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.39 0.00 1.73 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.33 4.36 0.00 2.17 1.91 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 2.40 2.43 0.00 8 P 0.00 4.48 0.00 2.10 2.03 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 P 0.00 3.58 0.00 0.72 0.49 0.00 3.35 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 10 Y 7.90 4.59 0.00 2.80 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 11 T 8.21 4.19 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 1.19 0.00 0.00 12 G 6.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.17 2.19 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 14 C 7.90 4.50 0.00 2.79 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 15 K 8.20 4.69 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.76 4.36 1.20 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 0.00 0.00 17 R 8.35 4.41 0.00 1.73 1.77 0.00 3.15 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 18 I 8.38 4.47 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.97 0.00 0.00 19 I 8.34 4.22 1.78 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 1.28 0.67 0.70 0.00 0.00 20 R 8.28 4.74 0.00 0.90 1.93 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.55 5.69 0.00 3.23 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 22 F 9.75 5.64 0.00 3.11 3.05 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 23 Y 9.74 4.48 0.00 3.14 3.01 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 0.00 0.00 0.00 24 N 8.52 4.61 0.00 2.16 2.42 0.00 0.00 6.64 6.97 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 25 A 8.45 3.81 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.78 4.12 0.00 1.77 2.03 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 A 7.24 4.38 1.18 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 0.00 0.00 0.00 28 G 8.27 3.82 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 0.00 0.00 0.00 29 L 6.75 4.62 0.00 1.63 1.32 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.56 5.05 0.00 2.88 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 31 Q 8.70 4.91 0.00 1.76 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 32 T 8.46 5.10 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 0.52 0.00 0.00 33 F 8.67 4.95 0.00 2.97 3.05 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 34 V 8.39 4.29 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.87 4.77 0.00 2.54 2.72 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 0.00 0.00 0.00 0.00 36 G 8.36 3.86 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 0.00 0.00 0.00 37 G 6.42 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 0.00 0.00 0.00 0.00 38 C 7.09 4.87 0.00 3.07 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 39 R 8.77 3.75 0.00 2.13 2.24 0.00 3.25 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 40 A 7.92 4.33 0.92 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 41 K 8.17 4.37 0.00 1.71 1.66 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.07 7.81 42 R 8.06 3.58 0.00 1.14 0.66 0.00 2.32 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.00 43 N 7.80 4.73 0.00 3.16 2.86 0.00 0.00 6.68 7.79 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 44 N 6.59 4.98 0.00 2.63 2.56 0.00 0.00 7.09 7.02 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 45 F 9.64 5.08 0.00 3.29 3.05 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 46 K 8.84 4.55 0.00 1.85 1.95 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.77 4.58 0.00 4.10 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 48 A 7.43 3.43 0.79 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 49 E 7.76 3.76 0.00 2.09 2.14 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 2.26 2.25 0.00 50 D 7.83 4.26 0.00 2.85 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 51 C 7.53 2.00 0.00 2.80 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 52 M 8.06 3.84 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 53 R 7.55 3.80 0.00 1.75 1.99 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.50 4.14 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 1.61 0.00 0.00 55 C 7.94 4.56 0.00 2.68 2.20 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 56 G 7.78 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00