NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.8581 8.0249 121.4310 61.0732 39.0070 175.7812 2 F 4.4895 7.7205 116.3435 56.0835 41.2506 173.1975 3 D 4.7300 9.4151 119.8325 52.7261 43.6181 175.5050 4 I 4.6008 8.2174 125.7668 60.9565 38.2135 175.1964 5 Y 5.2150 9.2827 125.4062 55.8469 40.5534 175.1488 6 V 5.1319 8.2133 119.6672 58.9637 35.2889 174.9012 7 V 4.1924 8.3297 123.7497 62.4309 32.1031 175.4530 8 T 4.7062 7.9519 116.3553 61.0742 69.3687 175.0237 9 A 4.5174 7.5579 120.2052 51.6877 20.7893 174.2231 10 D 4.4327 7.8127 118.8851 54.6190 42.5234 173.7353 11 Y 4.2184 7.8957 124.2010 56.4224 39.6105 172.7863 12 L 4.5444 7.6630 125.4310 51.5291 43.1708 175.0710 13 P 3.9523 0.0000 0.0000 62.7529 31.3998 176.8548 14 L 4.2538 8.1385 124.5307 56.5285 41.4257 176.3386 15 G 3.8783 8.5459 112.7409 44.1114 0.0000 173.2403 16 A 4.5568 8.4856 129.5820 50.3810 20.1069 175.1378 17 E 4.6251 8.5761 121.9554 55.0860 31.4566 176.1249 18 Q 4.1773 8.5259 124.7791 56.7820 29.9030 175.1911 19 D 4.7705 8.8889 121.6384 55.2324 38.5406 173.0359 20 A 4.9881 7.4173 120.6266 50.3479 21.5920 176.6633 21 I 4.6988 7.9874 118.6675 59.0503 41.1435 175.2852 22 T 4.4785 8.3610 116.3183 61.9170 69.7046 173.6043 23 L 4.8691 8.3047 120.5403 53.5020 46.3090 175.5953 24 R 4.6173 8.3388 119.5044 53.9311 33.6850 174.4676 25 E 4.6967 8.3792 123.2214 60.1676 28.8103 174.8770 26 G 3.5770 8.2594 115.4417 45.2123 0.0000 171.9060 27 Q 4.3540 7.6803 119.6470 54.1873 31.5316 174.1270 28 Y 5.3971 8.0873 117.8372 56.4138 41.2793 176.0094 29 V 4.5011 8.3348 122.3797 60.7090 35.0406 173.1146 30 E 5.4910 9.1590 123.8742 55.3738 31.3968 175.7884 31 V 4.0302 8.4017 120.9821 61.4171 32.4545 175.4813 32 L 4.3604 8.8353 125.7358 56.5781 41.5455 176.3579 33 D 4.8639 7.6609 116.6720 52.5751 46.0201 174.1872 34 A 4.4879 8.5266 124.0642 50.7083 18.6548 176.1583 35 A 4.3950 8.4178 126.4966 52.8343 20.0118 176.0784 36 H 5.1781 7.9567 109.8679 52.4683 31.9347 174.2076 37 P 4.3290 0.0000 0.0000 65.4438 31.5873 178.2097 38 L 4.0188 7.9446 117.7328 57.0759 41.7292 177.4310 39 R 4.7327 7.4198 113.0442 54.1378 32.0227 174.4926 40 W 5.4193 8.7005 122.1723 54.9515 32.4805 174.7541 41 L 3.4558 8.4969 124.8596 54.7335 42.5713 176.2217 42 V 4.7306 7.7162 118.4327 59.7442 36.6483 174.6110 43 R 4.8823 8.2541 123.0104 54.6905 32.4185 175.0557 44 T 4.0915 8.2669 117.0418 61.9298 69.6068 173.8145 45 K 4.3573 8.4132 122.5766 54.5680 33.3498 175.2557 46 P 4.5728 0.0000 0.0000 62.7728 32.4080 175.5695 47 T 4.4252 7.5737 112.5728 61.2113 69.8774 171.5550 48 K 4.0766 8.5668 129.0369 56.8379 31.9290 175.5777 49 S 4.5332 7.7302 109.7336 58.5930 63.4921 173.8917 50 S 4.4138 8.4933 117.4417 56.9157 62.9350 172.1555 51 P 4.4481 0.0000 0.0000 62.6491 31.5832 175.9343 52 S 4.3771 8.4932 116.0026 58.0014 64.0294 173.4838 53 R 4.7288 8.1072 122.4764 54.2714 33.0401 174.7080 54 Q 4.8262 8.5512 122.7020 54.3303 31.3188 174.6673 55 G 4.3307 8.4697 111.6077 44.5620 0.0000 171.8635 56 W 4.8259 8.4677 121.1827 56.5017 29.4472 176.2037 57 V 4.4982 8.3444 115.0343 59.5838 36.1083 174.5499 58 S 4.9003 8.1642 118.0079 56.8304 63.8307 173.6849 59 P 4.1571 0.0000 0.0000 63.8074 31.2958 177.4118 60 A 3.9980 7.4926 121.1388 53.7678 18.9778 177.2646 61 Y 4.8040 7.7386 112.0305 57.0240 39.6804 174.5853 62 L 4.9837 7.5693 120.7497 53.0154 43.3762 175.4402 63 D 5.2654 8.1716 122.3394 52.2348 43.9214 176.0742 64 R 4.0764 8.7437 121.1651 56.6265 30.5965 176.1696 65 R 4.7527 7.9018 124.4305 54.5030 33.3425 174.0329 66 L 4.6851 8.5320 125.7425 53.6146 42.7132 176.1991 67 K 4.2751 8.1751 120.0765 55.6756 34.2123 176.4769 68 L 4.1104 8.1615 120.0776 55.3854 42.0412 176.3926 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 I 8.02 3.86 1.26 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.35 0.00 0.00 2 F 7.72 4.49 0.00 3.00 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 3 D 9.42 4.73 0.00 2.66 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 0.00 0.00 0.00 4 I 8.22 4.60 1.88 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 1.44 0.89 1.05 0.00 0.00 5 Y 9.28 5.22 0.00 3.02 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 6 V 8.21 5.13 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 1.06 0.00 0.00 0.84 0.00 0.00 7 V 8.33 4.19 2.21 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 1.01 0.00 0.00 0.90 0.00 0.00 8 T 7.95 4.71 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 1.30 0.00 0.00 9 A 7.56 4.52 1.33 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 0.00 0.00 10 D 7.81 4.43 0.00 2.75 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 11 Y 7.90 4.22 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.54 0.00 1.52 1.50 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 3.95 0.00 2.02 2.01 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 14 L 8.14 4.25 0.00 1.56 1.59 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.55 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 16 A 8.49 4.56 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 17 E 8.58 4.63 0.00 1.99 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 2.21 2.21 0.00 18 Q 8.53 4.18 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.36 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 19 D 8.89 4.77 0.00 2.95 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 20 A 7.42 4.99 1.30 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 0.00 0.00 21 I 7.99 4.70 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.91 0.00 0.00 22 T 8.36 4.48 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 23 L 8.30 4.87 0.00 1.61 1.55 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.34 4.62 0.00 1.67 1.77 0.00 3.31 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 25 E 8.38 4.70 0.00 1.99 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 2.28 2.44 0.00 26 G 8.26 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 4.35 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 28 Y 8.09 5.40 0.00 2.82 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 29 V 8.33 4.50 2.11 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 0.83 0.00 0.00 0.99 0.00 0.00 30 E 9.16 5.49 0.00 2.13 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 1.91 0.00 31 V 8.40 4.03 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 1.03 0.00 0.00 0.99 0.00 0.00 32 L 8.84 4.36 0.00 1.41 1.63 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.66 4.86 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.49 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.39 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 5.18 0.00 3.24 3.17 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.33 0.00 2.03 2.18 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 38 L 7.94 4.02 0.00 1.54 1.64 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.42 4.73 0.00 1.99 1.86 0.00 2.97 0.00 0.00 2.83 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 40 W 8.70 5.42 0.00 3.37 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 41 L 8.50 3.46 0.00 0.58 1.40 -0.03 0.78 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 42 V 7.72 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 43 R 8.25 4.88 0.00 1.56 1.60 0.00 3.15 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 44 T 8.27 4.09 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 1.20 0.00 0.00 45 K 8.41 4.36 0.00 1.77 1.76 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 46 P 0.00 4.57 0.00 2.15 2.06 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 47 T 7.57 4.43 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 48 K 8.57 4.08 0.00 1.92 1.73 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.35 7.81 49 S 7.73 4.53 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.41 0.00 3.93 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 51 P 0.00 4.45 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.83 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 52 S 8.49 4.38 0.00 4.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.73 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 54 Q 8.55 4.83 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 55 G 8.47 4.33 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 0.00 0.00 0.00 56 W 8.47 4.83 0.00 3.24 3.21 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 0.00 57 V 8.34 4.50 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 0.90 0.00 0.00 0.86 0.00 0.00 58 S 8.16 4.90 0.00 4.05 3.85 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 0.00 0.00 0.00 0.00 59 P 0.00 4.16 0.00 1.56 1.58 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 60 A 7.49 4.00 0.80 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 0.00 0.00 61 Y 7.74 4.80 0.00 3.00 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 62 L 7.57 4.98 0.00 1.38 1.48 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.17 5.27 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.08 0.00 1.73 1.84 0.00 3.21 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 65 R 7.90 4.75 0.00 1.95 1.96 0.00 3.35 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 66 L 8.53 4.69 0.00 1.71 1.57 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.18 4.28 0.00 1.81 1.79 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.33 7.81 68 L 8.16 4.11 0.00 1.58 1.54 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00