NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2393 8.2549 117.2709 55.2122 30.9339 175.4259 11 S 4.0776 8.4100 109.6296 56.8805 64.4353 174.6672 12 G 3.6702 7.9260 113.4601 48.5714 0.0000 176.0030 13 R 4.0504 7.8083 114.8643 58.4003 29.7024 177.0028 14 F 5.2692 9.0178 118.3129 56.9162 39.8843 176.9037 15 G 3.7736 7.6222 110.9020 46.9699 0.0000 174.5509 16 A 4.5659 8.5494 127.8861 51.8399 18.9887 177.0271 17 R 4.1454 7.6742 117.5388 57.1764 31.8769 175.2693 18 Y 4.1072 7.7750 117.9252 56.8691 36.0801 170.1881 19 G 3.9233 7.9229 103.7433 44.4689 0.0000 172.7988 20 R 4.0265 7.8821 117.4580 57.6194 29.5876 179.1437 21 V 3.5517 7.7901 118.0015 67.4255 31.5338 177.8612 22 S 4.0900 8.4166 113.6714 62.5248 62.7038 176.3707 23 R 4.4104 8.3610 118.1168 58.4226 29.7366 178.8867 24 R 3.9399 8.5226 120.9681 59.6022 30.1898 178.4411 25 R 3.9958 8.1768 117.8260 58.7555 29.8940 179.2899 26 V 3.4470 7.5220 117.1139 65.8857 31.5205 177.7504 27 A 3.9284 7.8160 120.3266 55.4728 18.0989 179.2461 28 E 3.9036 8.1351 116.8807 59.6587 29.4909 179.4495 29 I 3.6531 8.3432 119.9433 64.7193 37.3158 178.3362 30 E 4.1143 8.5269 119.4353 58.8082 29.5076 179.1714 31 S 4.0629 8.2335 113.7813 61.4818 62.3441 175.8938 32 E 4.2616 8.3449 120.6071 59.0325 29.4289 177.8953 33 M 4.6878 7.6749 118.7236 57.2736 32.4593 176.8994 34 N 4.7806 7.9229 114.2159 52.7935 39.4593 175.2419 35 E 4.1203 6.9492 118.9831 56.0724 30.2147 176.4817 36 D 4.4672 8.3961 120.8716 54.7364 41.7936 175.6236 37 H 5.0731 8.5408 119.9341 53.4817 32.1422 172.8994 38 A 4.4214 8.7104 125.1223 51.9655 19.2939 176.7370 39 C 4.1663 9.5314 125.2238 59.3614 32.1179 173.0805 40 P 3.9105 0.0000 0.0000 65.6916 31.0228 177.3953 41 N 4.0493 7.4697 114.6105 55.5179 39.4834 175.6773 42 C 4.7084 7.1917 115.1444 58.2918 29.2144 174.8603 43 G 4.0146 8.4001 107.1425 44.3990 0.0000 171.4722 44 E 3.8169 7.8137 122.3226 55.5748 30.4671 177.0046 45 D 5.0244 8.2347 128.8862 53.5800 38.6502 176.2652 46 R 4.8093 7.5335 114.5325 55.9479 32.3725 176.4537 47 V 4.9585 7.9482 118.8201 61.8186 32.8807 174.7220 48 D 5.2931 9.2560 127.3895 52.2772 44.9049 175.5073 49 R 3.5055 8.6024 122.0320 55.8530 29.9173 176.4104 50 Q 4.0497 8.7400 126.5759 58.3304 29.2537 176.5842 51 G 3.7133 6.6003 104.4564 45.9938 0.0000 172.9246 52 T 3.7546 8.3645 118.7824 65.0982 67.1635 174.6869 53 G 3.9330 8.3575 115.2700 45.5507 0.0000 170.6328 54 I 4.1853 6.7452 120.9286 59.3794 38.8581 174.8035 55 W 5.0478 8.6702 127.2852 54.8949 32.5477 174.6566 56 Q 5.1859 9.0170 123.4285 55.0828 32.7564 172.8997 57 C 5.6404 10.1476 128.1290 58.2180 32.0509 174.5389 58 S 4.1767 9.0881 121.9019 61.3167 62.6625 174.3517 59 Y 4.1583 7.6628 121.8187 59.7433 38.5447 175.5147 60 C 4.0416 8.3920 118.7242 58.7641 31.0358 174.8332 61 D 4.8730 8.3499 119.6941 53.9599 39.0057 173.5320 62 Y 4.4298 7.9422 120.5026 58.4407 39.7415 174.9377 63 K 5.0783 8.3304 126.7040 54.6908 34.9133 174.6621 64 F 4.9887 9.3773 122.4006 55.7129 41.9858 173.4428 65 T 4.7826 8.5178 108.8370 61.1530 70.4189 173.8875 66 G 4.3589 7.9384 108.9690 46.0828 0.0000 172.9728 67 G 4.1882 8.4138 109.7380 45.4166 0.0000 173.9679 68 S 3.9646 8.6123 115.4851 60.8575 62.4997 175.3332 69 Y 4.9574 7.8473 114.6307 57.1440 40.1960 175.0350 70 K 4.6173 8.0152 119.4591 53.5034 34.7828 175.4878 71 P 2.0000 0.0000 0.0000 63.9105 31.5243 176.0688 72 E 4.8792 7.5000 116.7626 54.2641 33.0786 174.8646 73 T 4.6847 8.0304 111.2809 58.7636 71.3019 172.9754 74 P 4.3652 0.0000 0.0000 66.2559 30.7955 179.1230 75 G 3.5415 8.1355 103.7806 47.4527 0.0000 175.9376 76 G 3.6786 8.5913 108.4258 47.4456 0.0000 175.8367 77 K 4.2096 7.4628 118.8916 58.6772 32.4803 179.2108 78 T 4.0591 7.5060 116.2472 66.2449 68.1896 176.5662 79 V 3.6383 7.1837 118.6564 66.2221 31.1297 176.9350 80 R 3.9415 8.1609 115.5970 59.8810 31.9153 179.2796 81 R 3.1790 8.4471 106.7238 57.0411 30.3306 176.7994 82 S 4.2872 9.2875 121.2992 59.2180 62.7182 174.9873 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 10 R 8.25 4.24 0.00 1.88 1.85 0.00 2.95 0.00 0.00 3.21 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 11 S 8.41 4.08 0.00 3.95 3.81 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 12 G 7.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.05 0.00 1.96 2.04 0.00 2.95 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.24 0.00 14 F 9.02 5.27 0.00 3.39 3.39 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 15 G 7.62 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.55 4.57 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 17 R 7.67 4.15 0.00 0.75 0.66 0.00 2.83 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 18 Y 7.78 4.11 0.00 3.12 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 19 G 7.92 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 20 R 7.88 4.03 0.00 1.89 1.86 0.00 3.19 0.00 0.00 3.28 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 21 V 7.79 3.55 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 1.08 0.00 0.00 0.94 0.00 0.00 22 S 8.42 4.09 0.00 4.11 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 23 R 8.36 4.41 0.00 2.43 2.70 0.00 3.02 0.00 0.00 3.56 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.76 0.00 24 R 8.52 3.94 0.00 1.90 2.20 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 25 R 8.18 4.00 0.00 1.90 1.93 0.00 3.17 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 26 V 7.52 3.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.15 0.00 0.00 27 A 7.82 3.93 1.40 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 0.00 0.00 28 E 8.14 3.90 0.00 2.20 1.98 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 2.33 2.49 0.00 29 I 8.34 3.65 1.69 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.49 0.00 0.00 30 E 8.53 4.11 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 31 S 8.23 4.06 0.00 3.99 4.01 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 32 E 8.34 4.26 0.00 2.02 2.02 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 2.39 2.46 0.00 33 M 7.67 4.69 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.61 0.00 34 N 7.92 4.78 0.00 2.80 2.88 0.00 0.00 7.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 6.95 4.12 0.00 1.98 1.85 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 2.36 2.53 0.00 36 D 8.40 4.47 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 5.07 0.00 3.11 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.71 4.42 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.53 4.17 0.00 3.09 2.94 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 40 P 0.00 3.91 0.00 1.61 1.83 0.00 3.40 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 0.74 1.83 0.00 41 N 7.47 4.05 0.00 2.28 2.68 0.00 0.00 6.79 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 42 C 7.19 4.71 0.00 3.08 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 43 G 8.40 4.01 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 0.00 0.00 0.00 44 E 7.81 3.82 0.00 1.82 1.72 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 1.55 2.15 0.00 45 D 8.23 5.02 0.00 2.59 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 46 R 7.53 4.81 0.00 1.83 1.98 0.00 3.25 0.00 0.00 3.51 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 47 V 7.95 4.96 2.39 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 1.17 0.00 0.00 1.24 0.00 0.00 48 D 9.26 5.29 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.51 0.00 1.07 1.55 0.00 2.98 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 50 Q 8.74 4.05 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 51 G 6.60 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.36 3.75 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 1.04 0.00 0.00 53 G 8.36 3.93 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 0.00 0.00 0.00 54 I 6.75 4.19 1.60 0.00 0.00 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 1.09 0.72 0.75 0.00 0.00 55 W 8.67 5.05 0.00 1.84 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 56 Q 9.02 5.19 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 57 C 10.15 5.64 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.09 4.18 0.00 4.09 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 59 Y 7.66 4.16 0.00 2.92 2.92 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 60 C 8.39 4.04 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.87 0.00 2.93 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 62 Y 7.94 4.43 0.00 3.03 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 63 K 8.33 5.08 0.00 1.75 1.58 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.35 7.81 64 F 9.38 4.99 0.00 3.06 2.43 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 65 T 8.52 4.78 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 1.23 0.00 0.00 66 G 7.94 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 3.96 0.00 3.03 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 69 Y 7.85 4.96 0.00 3.17 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 70 K 8.02 4.62 0.00 1.80 1.65 0.00 1.71 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.51 7.81 71 P 0.00 2.00 0.00 1.73 0.88 0.00 3.07 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 72 E 7.50 4.88 0.00 1.83 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 2.18 2.16 0.00 73 T 8.03 4.68 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 1.24 0.00 0.00 74 P 0.00 4.37 0.00 2.18 2.18 0.00 3.61 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 2.13 2.19 0.00 75 G 8.14 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 0.00 0.00 0.00 76 G 8.59 3.68 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 0.00 0.00 0.00 77 K 7.46 4.21 0.00 1.56 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.30 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.67 7.81 78 T 7.51 4.06 4.44 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 1.21 0.00 0.00 79 V 7.18 3.64 2.18 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 0.77 0.00 0.00 1.00 0.00 0.00 80 R 8.16 3.94 0.00 1.99 1.94 0.00 3.42 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 81 R 8.45 3.18 0.00 2.10 1.52 0.00 3.20 0.00 0.00 3.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 82 S 9.29 4.29 0.00 3.98 3.87 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