NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6633 8.0033 121.7001 57.7965 39.6532 174.3151 12 Q 4.0699 7.8748 126.3142 55.8906 30.0859 173.8342 13 T 3.8824 6.9070 111.6648 60.1982 71.2190 172.6578 14 A 3.8780 8.4758 127.7859 52.0880 18.4594 176.2106 15 P 4.6755 0.0000 0.0000 61.4312 32.7525 175.6840 16 F 4.2402 8.7476 120.8269 58.2937 39.8137 173.5350 17 D 4.6984 7.6406 126.7464 51.9724 42.4284 176.2083 18 S 3.9935 8.6448 122.6856 61.3954 62.7579 175.6048 19 R 3.9868 7.4795 114.1633 56.8393 29.8426 176.8011 20 F 4.9728 8.1324 117.3630 55.9032 39.5738 172.6115 21 P 4.8644 0.0000 0.0000 63.0248 32.3972 175.9747 22 N 5.1319 7.7723 116.3555 50.9819 41.6715 174.7281 23 Q 3.8402 8.7359 120.0028 58.8976 28.9434 176.3075 24 N 4.7573 7.8323 116.5344 52.7327 39.2219 174.8311 25 Q 4.5372 8.5415 123.7521 55.7143 29.5283 177.1907 26 T 4.1949 7.9993 118.5240 67.3316 68.4539 176.0746 27 R 4.1429 8.1077 118.9486 58.9985 30.0592 178.3766 28 N 3.1400 7.7423 117.0769 56.2833 38.9036 175.9443 29 C 4.3260 8.1294 119.0935 59.5271 42.1657 174.7662 30 W 4.3332 8.5835 129.9006 60.7684 30.2742 177.2390 31 Q 3.8226 9.1083 120.2903 59.6849 28.4314 178.5466 32 N 4.4814 8.0605 116.7567 56.3788 38.4029 176.8330 33 Y 3.5902 7.9999 120.9583 60.5425 38.7549 177.9333 34 L 3.6987 7.6663 119.8984 57.5226 41.6308 178.8204 35 D 4.1409 8.2406 119.0469 57.6800 40.7918 178.9708 36 F 4.3304 8.3220 120.7398 62.1043 39.5002 176.8787 37 H 3.7393 7.9151 115.4331 58.5276 28.3765 178.2047 38 R 3.8295 8.0286 120.5866 59.0847 29.8501 178.1201 39 C 4.2018 8.3197 118.6788 59.5111 41.1847 174.7842 40 E 3.6265 8.1298 121.2089 59.3730 28.9745 178.5190 41 K 3.7052 7.7378 118.8150 59.6171 31.8994 178.4166 42 A 3.9113 7.4864 119.1360 55.6133 18.5242 179.2815 43 M 4.0708 7.9755 115.8153 58.8801 32.2842 178.9307 44 T 4.0283 7.9085 116.1262 65.7646 69.8592 174.9884 45 A 4.4908 8.0239 124.9265 49.2025 17.0901 176.2781 46 K 4.4208 7.9908 130.2739 54.5717 35.2246 174.8791 47 G 3.7549 7.7395 108.7861 42.6401 0.0000 173.5853 48 G 4.1559 9.1843 105.2224 46.2026 0.0000 173.1022 49 D 4.7007 8.2155 113.2890 56.5124 38.1174 174.5157 50 V 3.5370 7.7763 108.2691 61.4578 29.9182 174.5393 51 S 4.2806 7.1636 112.5750 58.9462 63.3595 174.2870 52 V 4.4446 7.9231 113.7533 59.9868 34.2736 175.8637 53 C 4.7036 8.6349 121.5404 54.5351 41.0327 173.8279 54 E 4.0120 8.1151 125.3965 59.4604 29.8851 177.0341 55 W 4.2998 8.2325 128.2127 61.1312 30.5479 177.2846 56 Y 4.4044 7.7978 115.6685 61.3029 37.4058 178.6548 57 R 3.1124 7.3392 116.9260 58.7097 30.0868 178.7997 58 R 3.3412 7.5419 118.2644 58.9681 29.9306 178.8938 59 V 3.5103 7.2570 119.3781 65.5950 31.5683 177.5214 60 Y 4.3710 8.1903 117.4391 60.2672 37.3532 178.7257 61 K 3.9289 7.2278 119.4927 59.0593 32.1388 179.2895 62 S 4.2150 7.5823 114.2725 61.7764 62.9445 176.4237 63 L 4.1777 7.6687 120.1713 56.3792 41.7518 177.2016 64 C 4.3869 7.8004 116.9568 55.2200 36.3320 171.9203 65 P 4.2136 0.0000 0.0000 62.3114 31.7609 176.8221 66 I 3.5523 8.3130 122.1097 65.2880 37.0142 178.3375 67 S 4.2679 8.1165 114.8632 61.6543 62.5562 177.1373 68 W 3.6198 7.8771 121.1848 59.4517 28.7883 178.4672 69 V 3.4249 7.4573 117.5570 66.6083 30.8257 177.4285 70 S 4.1482 8.5111 114.9431 62.2451 62.6043 176.6897 71 T 3.9179 8.1075 111.8099 65.0042 68.3269 176.3442 72 W 4.6992 8.4819 121.9166 59.7091 29.0438 178.0092 73 D 4.4755 8.8412 119.2518 57.7424 40.2786 178.6350 74 D 4.4339 8.4180 119.2253 57.6052 40.7567 179.1901 75 R 4.0570 8.4634 118.6718 59.5782 29.9381 179.4266 76 R 3.9546 8.4242 116.7709 58.9635 30.1291 178.7805 77 A 4.1589 8.2341 121.3866 55.0620 18.3570 178.9775 78 E 4.1726 8.3995 113.6334 56.6336 29.9673 177.1906 79 G 3.9164 7.5731 107.6715 47.1638 0.0000 174.1634 80 T 4.4793 8.1901 107.2822 60.7774 68.9273 173.6575 81 F 4.4647 8.2286 124.9809 57.3918 39.3798 173.7247 82 P 4.2136 0.0000 0.0000 64.5834 31.4356 176.8627 83 G 3.7760 6.2211 107.5526 44.5844 0.0000 173.3455 84 K 4.3979 8.4428 120.4064 55.0150 32.4829 177.1305 85 I 4.0451 8.2992 124.0381 61.3161 37.4345 175.7796 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 11 Y 8.00 4.66 0.00 3.12 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 12 Q 7.87 4.07 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 13 T 6.91 3.88 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 1.10 0.00 0.00 14 A 8.48 3.88 1.27 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 0.00 0.00 0.00 15 P 0.00 4.68 0.00 2.37 2.24 0.00 3.98 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 16 F 8.75 4.24 0.00 3.05 3.12 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 17 D 7.64 4.70 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 3.99 0.00 4.07 4.07 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 0.00 0.00 0.00 19 R 7.48 3.99 0.00 1.38 1.82 0.00 2.89 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.00 20 F 8.13 4.97 0.00 2.92 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 21 P 0.00 4.86 0.00 2.37 2.37 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 22 N 7.77 5.13 0.00 2.82 2.82 0.00 0.00 6.68 7.41 0.00 0.00 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 Q 8.74 3.84 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.83 4.76 0.00 2.74 2.80 0.00 0.00 7.10 6.95 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 25 Q 8.54 4.54 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 26 T 8.00 4.19 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 1.34 0.00 0.00 27 R 8.11 4.14 0.00 2.03 2.36 0.00 3.58 0.00 0.00 3.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 28 N 7.74 3.14 0.00 2.22 2.65 0.00 0.00 6.78 7.22 0.00 0.00 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 C 8.13 4.33 0.00 3.17 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.58 4.33 0.00 3.51 3.35 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 31 Q 9.11 3.82 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 32 N 8.06 4.48 0.00 3.00 3.08 0.00 0.00 6.76 8.76 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 33 Y 8.00 3.59 0.00 2.99 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 34 L 7.67 3.70 0.00 1.56 1.42 0.59 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.24 4.14 0.00 2.31 1.54 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 36 F 8.32 4.33 0.00 3.36 3.31 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 37 H 7.92 3.74 0.00 2.81 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.03 3.83 0.00 1.85 1.88 0.00 3.06 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 39 C 8.32 4.20 0.00 3.06 3.25 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 40 E 8.13 3.63 0.00 1.16 1.62 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 2.11 2.09 0.00 41 K 7.74 3.71 0.00 1.95 1.73 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 42 A 7.49 3.91 1.34 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 43 M 7.98 4.07 0.00 2.10 2.12 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 2.74 2.93 0.00 44 T 7.91 4.03 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 1.19 0.00 0.00 45 A 8.02 4.49 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 46 K 7.99 4.42 0.00 1.70 1.94 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.22 7.81 47 G 7.74 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 0.00 0.00 0.00 48 G 9.18 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.22 4.70 0.00 2.85 2.80 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 50 V 7.78 3.54 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 0.64 0.00 0.00 0.93 0.00 0.00 51 S 7.16 4.28 0.00 4.11 3.90 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 52 V 7.92 4.44 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 0.83 0.00 0.00 0.95 0.00 0.00 53 C 8.63 4.70 0.00 3.45 3.42 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 54 E 8.12 4.01 0.00 2.12 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 2.31 2.29 0.00 55 W 8.23 4.30 0.00 3.28 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 56 Y 7.80 4.40 0.00 3.40 3.34 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 57 R 7.34 3.11 0.00 0.67 1.37 0.00 2.53 0.00 0.00 2.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 58 R 7.54 3.34 0.00 1.11 0.66 0.00 2.91 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.00 59 V 7.26 3.51 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 1.12 0.00 0.00 0.25 0.00 0.00 60 Y 8.19 4.37 0.00 3.32 3.40 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 61 K 7.23 3.93 0.00 1.64 1.67 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 1.29 7.81 62 S 7.58 4.21 0.00 4.01 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 63 L 7.67 4.18 0.00 1.67 1.71 0.92 1.00 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 64 C 7.80 4.39 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 1.65 1.62 0.00 2.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.31 3.55 1.80 0.00 0.00 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 1.60 0.32 0.88 0.00 0.00 67 S 8.12 4.27 0.00 3.96 3.98 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 68 W 7.88 3.62 0.00 2.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.46 3.42 2.28 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 1.52 0.00 0.00 1.13 0.00 0.00 70 S 8.51 4.15 0.00 3.97 3.90 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 71 T 8.11 3.92 4.30 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 1.24 0.00 0.00 72 W 8.48 4.70 0.00 3.34 3.12 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 73 D 8.84 4.48 0.00 2.96 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 74 D 8.42 4.43 0.00 3.04 2.80 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 75 R 8.46 4.06 0.00 2.55 2.45 0.00 3.31 0.00 0.00 3.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 76 R 8.42 3.95 0.00 1.86 1.89 0.00 2.72 0.00 0.00 2.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.06 0.00 77 A 8.23 4.16 1.42 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 78 E 8.40 4.17 0.00 2.16 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 2.58 2.46 0.00 79 G 7.57 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 0.00 0.00 0.00 80 T 8.19 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 1.27 0.00 0.00 81 F 8.23 4.46 0.00 3.00 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 82 P 0.00 4.21 0.00 1.97 1.99 0.00 3.24 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 1.39 1.67 0.00 83 G 6.22 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 0.00 0.00 0.00 84 K 8.44 4.40 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.52 7.81 85 I 8.30 4.05 1.85 0.00 0.00 0.57 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 0.72 0.79 0.00 0.00