NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4884 8.1627 118.3284 55.4261 33.6191 173.0427 2 Q 4.9821 8.3138 119.1222 52.4526 31.8565 172.5419 3 I 4.9290 9.0651 119.2152 59.0996 42.4400 173.4724 4 F 5.0752 9.1132 121.9173 55.9166 41.3923 174.7340 5 V 4.7893 8.7101 124.3528 61.2777 34.1656 174.8528 6 K 5.0265 8.9083 127.5346 55.0702 35.1886 175.7074 7 T 4.6964 8.9381 125.1625 62.8796 69.5093 175.8091 8 L 4.2089 8.6500 122.6231 56.7096 41.6123 178.0378 9 T 4.1982 7.7634 114.7353 63.8172 68.9416 175.3347 10 G 3.9154 8.4104 110.1356 44.9946 0.0000 172.8458 11 K 4.4541 8.1199 121.1336 54.5544 34.3415 174.6095 12 T 5.6402 8.9099 123.0955 59.8656 68.6601 173.1664 13 I 4.6520 8.3364 122.9318 59.6051 40.4192 174.7616 14 T 4.6890 8.2701 113.6726 60.7420 70.8551 173.6552 15 L 4.6113 8.0842 123.8868 53.7610 46.1756 174.2946 16 E 4.9281 8.7021 125.2551 55.3252 30.6168 175.5518 17 V 4.7020 8.4546 117.1245 60.1257 36.5619 173.8763 18 E 4.7404 8.5329 118.2121 53.9565 33.4882 175.8158 19 P 4.1530 0.0000 0.0000 65.8710 31.4985 178.1493 20 S 4.4481 7.8600 111.5542 58.3892 61.5173 174.0789 21 D 4.5387 8.1558 123.1133 53.0264 39.8376 175.2543 22 T 4.1930 8.3196 122.3755 64.0559 70.1184 174.4162 23 I 3.6969 9.0076 126.3322 64.7262 37.0975 178.2429 24 E 3.9116 8.0060 119.7346 59.4551 29.3574 178.5254 25 N 4.2781 8.1029 116.5025 56.4611 38.5352 176.8110 26 V 3.5758 7.7361 119.7989 65.9092 31.4141 178.1912 27 K 4.4403 8.4626 118.3939 59.0222 32.0395 178.5573 28 A 4.1181 8.2381 121.2523 55.3937 18.2324 180.0019 29 K 3.9621 7.8510 116.6949 59.6301 32.0372 179.4186 30 I 3.9006 7.3622 117.6692 62.9418 36.8663 177.9132 31 Q 4.5506 7.9068 123.1719 58.1437 29.0555 176.7019 32 D 4.6487 7.9807 116.4590 54.2017 40.1178 177.0504 33 K 4.4468 7.7823 118.8038 57.3474 32.5609 176.5294 34 E 4.5470 7.6333 116.7001 54.7679 31.1312 176.0221 35 G 3.9285 8.1050 106.5522 46.5629 0.0000 173.7196 36 I 4.3746 6.9767 118.5640 58.0750 38.9685 173.9266 37 P 4.5115 0.0000 0.0000 62.1959 31.8035 175.8134 38 P 4.2639 0.0000 0.0000 65.6000 31.5348 178.1651 39 D 4.3667 8.1386 116.5829 56.7090 41.3405 176.7151 40 Q 4.2995 8.0705 117.0440 56.6460 29.9250 175.0998 41 Q 4.1857 7.7735 118.3764 55.8934 29.8122 175.4876 42 R 4.5195 8.5983 125.5537 54.5121 32.6401 173.8431 43 L 4.8063 8.3923 126.9420 53.5525 43.4021 175.7649 44 I 4.6256 8.2787 124.2567 59.3583 40.4897 174.2104 45 F 4.9957 8.6336 128.9287 56.7946 41.7965 174.9662 46 A 3.1979 9.2235 127.0712 52.6641 16.0625 176.7744 47 G 4.0407 8.1747 106.9908 46.2406 0.0000 174.8749 48 K 4.0776 7.6969 121.2553 55.8712 32.7657 175.5145 49 Q 4.3653 8.5095 127.7275 56.0505 29.8004 175.0870 50 L 3.8955 8.0215 127.2771 53.8461 42.4522 176.3686 51 E 4.2297 9.2200 126.3819 55.9069 30.2895 177.6787 52 D 4.3981 9.1354 126.3943 57.1009 41.1506 177.9136 53 G 4.0244 7.4500 103.8059 45.7003 0.0000 173.4114 54 R 4.7612 7.9630 119.7565 54.7312 33.1644 176.0234 55 T 4.6660 9.1571 112.6418 60.3133 71.4368 175.2849 56 L 4.0328 8.0434 120.3206 57.4031 42.2119 180.5148 57 S 4.0409 8.4078 115.8377 61.8875 62.6971 175.9989 58 D 4.3081 7.5288 120.0972 57.0944 40.6263 178.1626 59 Y 4.5616 7.2429 112.8531 56.2448 39.7758 175.0017 60 N 4.0093 8.4752 117.8830 54.6993 37.4152 175.6980 61 I 3.9319 8.1699 119.1286 59.6512 37.3639 176.5798 62 Q 4.3246 8.1858 125.5993 54.6207 30.2336 176.2613 63 K 4.2474 8.2940 117.0517 58.2324 33.3383 177.5654 64 E 4.2698 9.0424 118.3832 56.8563 28.0191 175.3027 65 S 4.5415 7.6108 114.3455 59.0363 64.3879 173.3202 66 T 5.1099 8.6418 118.5668 62.0472 70.5921 173.5162 67 L 4.9041 9.1374 127.5601 53.2317 44.3102 175.5886 68 H 4.9213 8.5942 121.4557 54.8723 29.7227 174.7666 69 L 4.4859 8.6438 127.7499 54.6821 42.7679 175.6996 70 V 4.1468 9.1424 128.3626 61.8620 33.0211 174.4501 71 L 4.2837 8.4093 130.2729 54.3566 42.9352 177.0178 72 R 4.2468 8.2815 128.0367 55.1339 28.6931 174.1626 73 L 4.0003 8.2221 122.6136 54.8222 42.0369 176.9211 74 R 4.6107 8.4069 121.3826 54.8277 34.2595 175.2314 75 G 4.0523 8.9658 106.0648 44.5337 0.0000 174.1396 76 G 3.7237 7.7249 113.3174 46.3885 0.0000 172.6651 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 M 8.16 4.49 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 2 Q 8.31 4.98 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 3 I 9.07 4.93 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.85 0.00 0.00 4 F 9.11 5.08 0.00 3.08 2.96 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 0.00 0.00 0.00 5 V 8.71 4.79 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 8.91 5.03 0.00 1.78 1.45 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 7 T 8.94 4.70 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 8 L 8.65 4.21 0.00 1.63 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.76 4.20 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 10 G 8.41 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 11 K 8.12 4.45 0.00 1.84 1.69 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 12 T 8.91 5.64 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 1.26 0.00 0.00 13 I 8.34 4.65 1.87 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 1.42 0.52 0.93 0.00 0.00 14 T 8.27 4.69 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 0.85 0.00 0.00 15 L 8.08 4.61 0.00 1.65 1.40 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.93 0.00 1.84 1.83 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 2.17 2.27 0.00 17 V 8.45 4.70 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.87 0.00 0.00 18 E 8.53 4.74 0.00 1.86 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 0.00 2.19 2.38 0.00 19 P 0.00 4.15 0.00 2.16 2.10 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 20 S 7.86 4.45 0.00 3.84 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 21 D 8.16 4.54 0.00 2.88 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 22 T 8.32 4.19 4.24 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 1.32 0.00 0.00 23 I 9.01 3.70 2.18 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 1.76 1.10 0.92 0.00 0.00 24 E 8.01 3.91 0.00 2.11 1.95 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 0.00 2.31 2.33 0.00 25 N 8.10 4.28 0.00 2.87 2.98 0.00 0.00 7.23 7.70 0.00 0.00 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 V 7.74 3.58 2.24 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 1.04 0.00 0.00 0.99 0.00 0.00 27 K 8.46 4.44 0.00 1.91 1.89 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 28 A 8.24 4.12 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 29 K 7.85 3.96 0.00 1.74 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.73 7.81 30 I 7.36 3.90 2.17 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 1.39 0.95 0.91 0.00 0.00 31 Q 7.91 4.55 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 32 D 7.98 4.65 0.00 2.86 2.76 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 0.00 0.00 0.00 0.00 33 K 7.78 4.45 0.00 1.91 2.05 0.00 1.42 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 34 E 7.63 4.55 0.00 2.22 1.94 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 2.21 2.36 0.00 35 G 8.10 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 36 I 6.98 4.37 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.18 0.91 0.00 0.00 37 P 0.00 4.51 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 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 2.11 2.08 0.00 39 D 8.14 4.37 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.30 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.77 4.19 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 42 R 8.60 4.52 0.00 1.82 2.04 0.00 3.08 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 43 L 8.39 4.81 0.00 1.61 1.55 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.28 4.63 1.89 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 1.12 1.49 0.92 0.00 0.00 45 F 8.63 5.00 0.00 2.97 2.71 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 46 A 9.22 3.20 0.94 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 0.00 0.00 47 G 8.17 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.08 0.00 1.88 1.84 0.00 1.85 0.00 0.00 2.07 0.00 0.00 3.51 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.48 7.81 49 Q 8.51 4.37 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 50 L 8.02 3.90 0.00 1.51 1.49 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.22 4.23 0.00 2.25 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 2.44 2.35 0.00 52 D 9.14 4.40 0.00 2.85 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 53 G 7.45 4.02 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 0.00 0.00 0.00 54 R 7.96 4.76 0.00 2.10 1.79 0.00 3.12 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 55 T 9.16 4.67 4.39 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 1.23 0.00 0.00 56 L 8.04 4.03 0.00 1.88 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.41 4.04 0.00 3.88 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 58 D 7.53 4.31 0.00 2.88 2.38 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 59 Y 7.24 4.56 0.00 3.01 2.95 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 0.00 0.00 0.00 0.00 60 N 8.48 4.01 0.00 2.85 2.95 0.00 0.00 7.04 8.49 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 61 I 8.17 3.93 1.62 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.40 0.50 0.00 0.00 62 Q 8.19 4.32 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 63 K 8.29 4.25 0.00 1.94 1.94 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.49 7.81 64 E 9.04 4.27 0.00 2.22 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 0.00 2.34 2.59 0.00 65 S 7.61 4.54 0.00 3.85 3.99 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 66 T 8.64 5.11 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 1.20 0.00 0.00 67 L 9.14 4.90 0.00 1.56 1.61 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.59 4.92 0.00 3.13 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.64 4.49 0.00 1.82 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.14 4.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 71 L 8.41 4.28 0.00 1.68 1.56 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.28 4.25 0.00 1.97 1.86 0.00 3.38 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 73 L 8.22 4.00 0.00 1.67 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.41 4.61 0.00 1.73 1.78 0.00 3.17 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 75 G 8.97 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 76 G 7.72 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