NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 E 4.2552 8.4449 120.2316 55.7501 31.3231 175.0356 24 Y 4.5785 7.7013 115.4955 55.2278 41.9602 173.2670 25 A 4.3240 8.9872 125.0726 52.2354 20.7491 176.0555 26 V 4.2956 8.3242 122.1298 61.5622 32.5818 175.2209 27 E 4.2405 8.9664 130.2362 58.3419 29.9914 176.5654 28 K 4.3228 7.3291 115.4062 56.0880 35.5415 173.5251 29 I 4.2676 8.2173 122.7370 60.9482 37.4097 175.7094 30 I 4.1912 8.5392 128.3128 63.4620 38.4037 175.0558 31 D 4.8725 7.3552 118.7730 54.4502 44.7715 173.8204 32 R 5.4753 8.6781 120.2258 55.0650 33.5081 173.5887 33 R 4.6201 9.0580 120.0551 55.3337 33.5707 173.3478 34 V 4.7717 8.0764 118.9807 61.1384 33.8710 175.0192 35 R 4.3900 8.6119 126.2968 55.4555 33.3532 175.4625 36 K 3.7718 9.6784 121.7968 57.5276 29.5904 176.4447 37 G 3.9041 8.4705 104.3306 45.8369 0.0000 173.7186 38 M 4.5915 7.6226 119.7923 52.8449 34.2504 175.3137 39 V 4.1039 8.2262 123.5931 63.0099 32.8330 174.4408 40 E 5.2349 9.2358 127.1981 54.7632 33.4459 174.3986 41 Y 5.1871 9.0912 120.1361 56.4172 41.7919 174.0811 42 Y 4.2489 8.4112 125.2402 56.2698 40.2464 173.9834 43 L 4.5843 7.9281 127.2596 52.5284 44.7557 175.3901 44 K 4.8478 7.9331 124.5154 54.3608 33.7791 175.3370 45 W 4.9844 8.4690 127.3822 55.1608 30.9473 175.8814 46 K 4.1964 9.0880 126.6421 57.7730 32.0098 177.0824 47 G 3.9258 9.0972 113.4496 45.9879 0.0000 172.3533 48 Y 4.6613 7.7310 116.1436 54.9558 40.7974 174.0903 49 P 4.5590 0.0000 0.0000 62.2434 32.3950 177.4646 50 E 4.1378 8.8506 119.6461 59.8229 29.4852 179.8168 51 T 3.9586 7.9258 107.5304 64.0876 68.8035 174.5512 52 E 4.3472 8.0979 120.2127 56.4729 30.2028 176.2536 53 N 4.8703 8.2898 118.4302 53.3238 39.5892 174.1963 54 T 5.0642 7.7743 111.3277 59.7941 72.9605 172.5831 55 W 5.1466 9.0936 123.2332 56.5903 30.0981 175.6206 56 E 5.0648 9.5347 124.3542 53.5185 33.1380 174.0082 57 P 4.8162 0.0000 0.0000 62.4195 32.3879 177.0808 58 E 4.1825 9.1229 119.2959 59.8309 29.4292 178.9125 59 N 4.5992 8.1159 114.7962 55.1601 38.7777 175.5571 60 N 4.6100 8.3304 115.2238 54.7272 39.0495 175.2761 61 L 4.4817 7.6355 118.5366 53.8500 43.1390 176.5283 62 D 4.9844 8.3920 120.4512 52.8724 41.3945 176.3625 63 C 4.7801 7.3094 120.7081 56.8154 29.8115 174.6809 64 Q 3.9254 8.1485 124.0055 59.5074 29.0992 177.3759 65 D 4.3349 7.9567 119.2028 57.2676 40.8960 178.6129 66 L 3.9844 7.7446 119.0746 57.6670 41.7017 179.3410 67 I 3.4421 7.7816 119.9085 64.4721 37.0534 178.3419 68 Q 4.0643 8.2522 120.4372 59.1821 28.6126 177.9811 69 Q 3.9766 8.2790 120.7456 58.9152 28.8953 177.6060 70 Y 3.9503 8.1288 120.8983 60.8230 38.7534 177.5813 71 E 4.1003 8.6696 118.1477 59.0700 29.5739 178.9050 72 A 4.1670 8.0571 120.8295 54.4532 18.6947 178.9218 73 S 4.4338 7.4501 109.9204 58.6728 63.7845 174.5336 74 R 3.8549 7.4438 123.9209 56.4361 29.3495 176.1733 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 23 E 8.44 4.26 0.00 1.45 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 2.29 0.00 24 Y 7.70 4.58 0.00 2.64 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 25 A 8.99 4.32 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 26 V 8.32 4.30 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 0.52 0.00 0.00 0.84 0.00 0.00 27 E 8.97 4.24 0.00 2.05 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 2.28 2.25 0.00 28 K 7.33 4.32 0.00 1.75 1.77 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.23 1.27 7.81 29 I 8.22 4.27 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.02 0.28 0.00 0.00 30 I 8.54 4.19 1.96 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.32 1.02 0.00 0.00 31 D 7.36 4.87 0.00 2.79 2.31 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 32 R 8.68 5.48 0.00 1.82 1.92 0.00 3.68 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.00 33 R 9.06 4.62 0.00 1.57 1.64 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.11 0.00 34 V 8.08 4.77 2.01 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 0.83 0.00 0.00 0.87 0.00 0.00 35 R 8.61 4.39 0.00 1.64 1.62 0.00 3.32 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.50 0.00 36 K 9.68 3.77 0.00 1.85 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.36 7.81 37 G 8.47 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 0.00 0.00 0.00 38 M 7.62 4.59 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 39 V 8.23 4.10 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 0.64 0.00 0.00 0.87 0.00 0.00 40 E 9.24 5.23 0.00 1.86 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 0.00 2.24 2.35 0.00 41 Y 9.09 5.19 0.00 2.78 2.55 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 42 Y 8.41 4.25 0.00 1.43 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 0.00 0.00 0.00 0.00 43 L 7.93 4.58 0.00 0.30 0.44 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.93 4.85 0.00 1.69 1.48 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.24 7.81 45 W 8.47 4.98 0.00 3.17 2.86 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 46 K 9.09 4.20 0.00 1.81 1.88 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.44 7.81 47 G 9.10 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 48 Y 7.73 4.66 0.00 3.16 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 49 P 0.00 4.56 0.00 2.22 2.00 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 50 E 8.85 4.14 0.00 2.01 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 2.41 2.27 0.00 51 T 7.93 3.96 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 1.24 0.00 0.00 52 E 8.10 4.35 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 2.39 2.59 0.00 53 N 8.29 4.87 0.00 2.40 1.51 0.00 0.00 6.67 6.64 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 54 T 7.77 5.06 4.43 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 1.39 0.00 0.00 55 W 9.09 5.15 0.00 3.28 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 56 E 9.53 5.06 0.00 1.92 1.93 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 2.35 2.62 0.00 57 P 0.00 4.82 0.00 2.26 2.22 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 58 E 9.12 4.18 0.00 2.37 2.44 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 2.48 2.37 0.00 59 N 8.12 4.60 0.00 2.78 2.96 0.00 0.00 6.94 8.00 0.00 0.00 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 8.33 4.61 0.00 3.01 3.00 0.00 0.00 6.95 8.01 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 61 L 7.64 4.48 0.00 1.83 1.54 1.04 0.72 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 62 D 8.39 4.98 0.00 2.61 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 63 C 7.31 4.78 0.00 2.85 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 64 Q 8.15 3.93 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 65 D 7.96 4.33 0.00 2.79 2.68 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 66 L 7.74 3.98 0.00 1.55 1.59 0.81 0.82 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 67 I 7.78 3.44 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.32 0.92 0.00 0.00 68 Q 8.25 4.06 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 69 Q 8.28 3.98 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 70 Y 8.13 3.95 0.00 3.07 3.03 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 0.00 0.00 0.00 71 E 8.67 4.10 0.00 2.07 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 0.00 2.76 2.65 0.00 72 A 8.06 4.17 1.39 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 73 S 7.45 4.43 0.00 3.96 4.23 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 74 R 7.44 3.85 0.00 1.70 1.29 0.00 3.22 0.00 0.00 3.55 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.50 0.00