NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 H 4.8785 8.4444 120.4213 55.5141 32.0511 173.3646 15 V 4.0243 6.8467 116.5414 61.8395 33.5778 176.1087 16 F 4.1611 8.5696 120.3625 60.9280 39.5618 176.6172 17 K 4.0135 8.5975 117.5338 59.9101 31.7598 178.9540 18 S 4.1019 8.1251 113.5500 61.8043 62.7205 176.5146 19 R 4.3036 7.9408 121.5448 58.8433 29.3956 177.6885 20 L 3.9572 8.8766 120.6753 56.4273 41.8252 179.4156 21 Q 4.2620 8.3964 119.6653 58.7799 29.9678 179.7711 22 E 4.0491 8.2613 119.9606 59.1791 29.4444 178.4418 23 Y 4.1945 9.6834 120.0602 60.5068 38.9195 177.3484 24 A 4.4231 8.2550 119.1374 53.1247 18.2501 178.0240 25 Q 4.1621 7.7326 115.4895 57.6430 31.2908 177.7688 26 K 3.7797 7.8831 115.1057 58.8435 32.1596 177.0193 27 Y 4.4620 7.6070 112.3677 56.0770 40.8324 174.7349 28 K 4.3137 7.8437 118.4441 55.5646 29.2303 174.0337 29 L 4.9315 7.6049 120.3387 51.0942 45.7231 174.6530 30 P 4.2432 0.0000 0.0000 63.4232 31.2600 176.3676 31 T 3.8773 8.5044 117.6468 63.2741 68.9215 172.0505 32 P 4.2715 0.0000 0.0000 63.3366 31.6164 175.6685 33 V 4.3972 7.9402 117.5292 61.2683 35.1458 174.0559 34 Y 5.1682 8.4828 123.4231 56.2712 40.5936 174.5117 35 E 4.3536 9.0120 127.1410 55.6469 30.8121 175.3767 36 I 4.9019 8.4185 127.5965 59.9945 39.7249 175.4703 37 V 4.3222 8.6071 124.5155 61.2030 34.6173 173.8425 38 K 4.6265 8.7227 129.4381 55.0280 33.8730 174.7345 39 E 4.6619 8.8199 130.3890 55.9942 32.8241 175.0466 40 G 4.0592 8.8820 113.0953 44.2542 0.0000 171.6020 41 P 4.1880 0.0000 0.0000 62.7177 31.1990 177.4435 42 S 4.3515 8.8828 118.9711 61.0422 62.8132 175.3125 43 H 4.5177 8.1181 115.5973 57.0909 29.3107 175.7954 44 K 4.5915 7.8575 119.1530 55.2458 32.0820 175.4809 45 S 4.5671 7.7868 113.0902 58.4005 64.7860 174.5615 46 L 5.2001 8.2879 119.0268 53.0635 45.2727 175.8119 47 F 5.3719 9.8813 122.3802 55.9225 41.9162 174.5138 48 Q 4.9964 9.1967 122.6141 54.7617 33.0792 173.7362 49 S 5.2472 8.9322 118.2918 57.2068 67.9803 173.2472 50 T 5.0219 8.5574 118.3709 61.9973 72.3613 173.0414 51 V 4.7163 8.9662 127.2126 61.7184 33.4645 174.7455 52 I 5.6035 8.3607 126.6623 58.7289 40.0271 174.5850 53 L 4.8457 8.4357 126.3373 53.9397 45.6087 176.2959 54 D 4.3027 9.7197 119.7778 57.8250 39.7145 173.6420 55 G 4.0486 7.6782 100.8570 46.8069 0.0000 173.1973 56 V 4.4516 7.8650 118.9842 60.7079 34.4708 175.0918 57 R 4.7696 8.4508 126.6385 56.2313 31.3647 175.5934 58 Y 4.6133 8.9433 119.8876 56.5251 42.2014 173.6970 59 N 5.4562 8.7672 122.0197 51.1993 40.2959 175.2587 60 S 4.2868 8.6871 119.1009 58.0726 63.8415 174.2501 61 L 4.2018 7.9673 120.8270 54.3456 41.9403 175.2674 62 P 4.6612 0.0000 0.0000 62.4166 33.7717 174.6799 63 G 3.4478 8.5731 102.6740 46.4027 0.0000 173.0232 64 F 4.3815 8.1541 117.1008 55.8007 42.5032 176.8346 65 F 5.2991 8.3590 120.8417 58.0853 39.2525 175.9507 66 N 3.3452 7.6184 117.5385 50.1646 40.8637 174.5213 67 R 3.8060 7.4419 120.1822 59.8461 30.1125 178.8145 68 K 3.7905 7.9296 116.6955 59.8327 32.2514 178.7830 69 A 3.8819 9.4464 121.3333 55.1306 18.2671 179.6335 70 A 2.5800 7.2864 117.5964 54.8121 18.5367 179.3124 71 E 3.4233 7.7789 117.1450 60.4171 29.5045 179.2133 72 Q 3.8874 8.0890 116.8859 60.0303 28.5533 179.6591 73 S 3.7054 7.6726 116.0662 61.2767 63.2969 176.1873 74 A 3.9671 8.0988 124.4926 55.0387 18.1074 179.0832 75 A 3.7385 7.5359 118.6578 55.5246 18.3552 179.3221 76 E 3.4764 8.0168 117.5377 59.0754 29.2208 179.5245 77 V 3.4857 8.0180 118.3572 65.8396 31.4966 177.8049 78 A 3.7368 7.6587 118.4714 54.9839 17.9910 178.7026 79 L 3.8393 7.6402 117.5313 58.2314 41.5091 180.1153 80 R 3.9697 7.2710 116.1741 59.1459 30.2820 179.3569 81 E 4.4655 7.8535 116.7109 57.4848 30.5418 177.4217 82 L 4.5030 7.7811 116.4242 56.3674 44.8023 178.4555 83 A 4.4050 7.8559 118.5018 52.8756 18.2366 177.6314 84 K 4.0821 7.9814 123.8565 58.1017 32.1061 176.8411 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 14 H 8.44 4.88 0.00 3.09 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.85 4.02 1.71 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 0.82 0.00 0.00 0.63 0.00 0.00 16 F 8.57 4.16 0.00 3.32 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 17 K 8.60 4.01 0.00 1.87 1.94 0.00 1.77 0.00 0.00 2.00 0.00 0.00 3.43 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.97 1.70 7.81 18 S 8.13 4.10 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 19 R 7.94 4.30 0.00 1.97 2.08 0.00 3.07 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 20 L 8.88 3.96 0.00 2.06 1.71 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.40 4.26 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 22 E 8.26 4.05 0.00 2.32 2.03 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 2.34 2.62 0.00 23 Y 9.68 4.19 0.00 3.23 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 24 A 8.26 4.42 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.16 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 26 K 7.88 3.78 0.00 1.94 1.56 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.36 7.81 27 Y 7.61 4.46 0.00 2.73 2.74 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 28 K 7.84 4.31 0.00 1.89 1.84 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 L 7.60 4.93 0.00 1.66 1.59 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.19 2.10 0.00 3.83 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 2.03 2.04 0.00 31 T 8.50 3.88 4.20 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 1.16 0.00 0.00 32 P 0.00 4.27 0.00 1.71 2.03 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 33 V 7.94 4.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 34 Y 8.48 5.17 0.00 2.78 2.75 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 35 E 9.01 4.35 0.00 2.13 1.99 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 2.32 2.32 0.00 36 I 8.42 4.90 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 1.16 0.00 0.00 37 V 8.61 4.32 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 0.93 0.00 0.00 0.94 0.00 0.00 38 K 8.72 4.63 0.00 1.23 1.46 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.08 0.89 7.81 39 E 8.82 4.66 0.00 1.88 1.84 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 2.21 2.19 0.00 40 G 8.88 4.06 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 0.00 0.00 0.00 41 P 0.00 4.19 0.00 1.98 2.19 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 42 S 8.88 4.35 0.00 3.99 4.08 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 43 H 8.12 4.52 0.00 3.30 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.86 4.59 0.00 1.52 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.33 7.81 45 S 7.79 4.57 0.00 3.54 3.73 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 46 L 8.29 5.20 0.00 1.56 1.60 0.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.88 5.37 0.00 3.19 2.99 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 48 Q 9.20 5.00 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 49 S 8.93 5.25 0.00 3.59 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 5.02 4.27 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 1.33 0.00 0.00 51 V 8.97 4.72 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 1.12 0.00 0.00 0.53 0.00 0.00 52 I 8.36 5.60 1.95 0.00 0.00 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 1.30 1.88 1.03 0.00 0.00 53 L 8.44 4.85 0.00 1.63 1.53 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.72 4.30 0.00 2.75 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 55 G 7.68 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 0.00 0.00 0.00 0.00 56 V 7.86 4.45 2.42 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 0.74 0.00 0.00 1.08 0.00 0.00 57 R 8.45 4.77 0.00 1.65 1.77 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 58 Y 8.94 4.61 0.00 2.98 2.75 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 59 N 8.77 5.46 0.00 2.58 2.73 0.00 0.00 7.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.69 4.29 0.00 3.64 3.69 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 61 L 7.97 4.20 0.00 1.99 1.69 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.66 0.00 2.17 2.10 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 63 G 8.57 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.38 0.00 3.32 2.82 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 65 F 8.36 5.30 0.00 3.10 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 66 N 7.62 3.35 0.00 2.62 2.69 0.00 0.00 6.18 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 67 R 7.44 3.81 0.00 1.77 2.18 0.00 3.19 0.00 0.00 3.42 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 68 K 7.93 3.79 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.46 7.81 69 A 9.45 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.29 2.58 1.21 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 0.00 0.00 71 E 7.78 3.42 0.00 2.14 1.97 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 2.29 2.56 0.00 72 Q 8.09 3.89 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 73 S 7.67 3.71 0.00 3.91 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 74 A 8.10 3.97 1.12 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 0.00 0.00 75 A 7.54 3.74 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 76 E 8.02 3.48 0.00 1.16 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 2.03 1.99 0.00 77 V 8.02 3.49 2.26 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 1.09 0.00 0.00 1.05 0.00 0.00 78 A 7.66 3.74 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.64 3.84 0.00 1.84 1.76 1.24 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.27 3.97 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 81 E 7.85 4.47 0.00 2.28 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 0.00 2.51 2.64 0.00 82 L 7.78 4.50 0.00 1.52 1.31 0.21 0.69 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 83 A 7.86 4.40 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 84 K 7.98 4.08 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81