NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 L 5.0134 7.9432 122.5677 55.5512 44.0664 175.0871 21 K 4.6122 8.0731 121.4412 54.6291 36.7676 169.6575 22 V 4.7176 9.0078 122.3318 60.9828 30.5879 173.8625 23 A 3.9691 7.9274 124.3529 51.8893 19.7579 179.0101 24 G 3.8548 7.8154 113.8086 45.4536 0.0000 172.4454 25 Q 4.1703 8.5396 117.1383 58.3291 29.5298 176.9756 26 D 4.5030 7.9411 116.5236 57.4126 39.1370 176.7579 27 G 3.1119 7.6287 107.5177 44.9216 0.0000 173.2182 28 S 4.4912 7.9451 115.3836 57.2874 64.9630 173.2939 29 V 4.6065 7.7059 109.6523 60.6786 33.7772 170.4126 30 V 4.2466 7.6489 123.2340 60.9765 33.4229 174.2932 31 Q 4.7186 8.1863 125.6982 55.2710 30.8638 175.3584 32 F 4.6481 8.1333 118.2481 58.4158 44.0058 173.1817 33 K 4.3784 8.8805 121.2144 57.9138 34.9917 175.0437 34 I 4.2683 7.9744 123.4351 60.3674 40.9623 174.3049 35 K 4.1024 8.4005 120.9350 56.3162 32.7358 176.3103 36 R 3.8211 8.4643 122.1384 59.4333 29.6593 177.3021 37 H 4.5085 8.6340 112.7104 56.7153 30.1270 174.7499 38 T 3.9803 7.9484 112.9614 60.4277 67.7345 172.5761 39 P 4.3053 0.0000 0.0000 62.4726 30.9344 176.7758 40 L 4.3283 8.0782 122.5585 55.2331 41.7985 179.4613 41 S 4.0112 7.8518 116.3126 61.2960 62.2166 176.4434 42 K 4.1892 7.8401 118.3840 57.4093 32.2365 177.5944 43 L 4.2243 7.8199 119.5097 56.2800 42.2196 177.0020 44 M 4.7165 7.4986 115.8938 56.9757 33.9102 177.8961 45 K 4.0434 7.9860 117.9063 59.1262 32.1447 178.9883 46 A 4.0964 7.2295 122.0910 55.0422 18.3142 178.9595 47 Y 4.3837 7.3799 110.2922 59.8907 38.5410 177.9457 48 C 4.4519 8.1324 118.8977 62.8880 27.8205 175.6601 49 E 4.0117 7.8947 120.3002 59.2902 28.8572 179.0817 50 R 4.2465 8.0141 114.4220 57.7127 29.9813 176.6551 51 Q 4.5389 8.3070 112.8752 55.8555 34.0344 174.5367 52 G 4.1406 8.4555 106.3685 45.2238 0.0000 173.8819 53 L 3.8699 7.7735 118.6410 55.1956 42.1049 177.0512 54 S 4.5655 8.5040 118.3198 57.6535 64.3774 175.3482 55 M 4.2264 8.5890 121.7624 58.4513 31.9728 178.6631 56 R 4.1683 8.0489 116.0809 58.0899 29.9582 176.8210 57 Q 4.6561 8.1210 116.4769 55.8668 30.8320 175.2520 58 I 4.8919 7.5173 110.9007 58.9636 41.1881 175.1471 59 R 4.7902 8.5364 118.0531 54.8627 32.6468 174.2848 60 F 5.1815 9.1234 120.0052 57.0540 41.3114 175.3348 61 R 4.7449 8.8562 119.8639 55.6179 34.9920 173.8518 62 F 5.1122 9.1331 127.7165 57.4174 40.5180 175.2439 63 D 4.3448 10.1771 124.1046 55.0071 38.7301 173.4064 64 G 4.0826 8.5017 111.1394 46.4697 0.0000 175.0180 65 Q 4.0672 8.0933 121.7436 54.3953 28.5067 173.7577 66 P 4.8706 0.0000 0.0000 62.9299 31.2651 176.4388 67 I 4.2289 8.5956 124.5830 61.2022 38.3543 174.2811 68 N 4.8242 8.4383 120.3748 51.3047 42.1161 174.0975 69 E 3.8907 8.9153 118.5721 60.0489 29.8151 179.2537 70 T 3.9619 7.6889 116.3796 65.3637 68.5871 174.2036 71 D 4.8870 7.7268 122.3656 53.8781 42.3722 175.2222 72 T 4.8736 8.8293 116.0617 61.4467 72.3363 173.6036 73 P 4.0463 0.0000 0.0000 65.8745 31.3808 178.1573 74 A 3.9662 8.0204 120.3355 55.3799 18.1586 178.7237 75 Q 3.9868 7.6682 114.1481 59.6794 29.2662 179.1297 76 L 4.1082 8.0441 115.6389 56.3797 40.4907 177.9571 77 E 3.8519 8.0068 111.7132 56.9815 28.1126 173.8398 78 M 4.9988 8.2019 125.8321 54.3672 35.3792 175.6563 79 E 4.9258 9.7035 122.0666 54.5787 32.6055 174.2894 80 D 4.3263 8.4726 119.5743 56.4329 41.5159 176.4609 81 E 3.8921 9.1550 126.0684 56.6444 27.9881 172.8937 82 D 4.8176 7.7898 117.4461 53.3919 42.3596 175.4685 83 T 4.7598 8.6044 120.1367 62.4396 70.0631 174.6473 84 I 4.6597 7.9706 127.1017 60.1111 40.0223 174.4114 85 D 4.9223 8.5519 120.3335 52.8933 45.2406 175.2581 86 V 4.5319 7.3936 120.6197 61.0175 34.3585 174.7337 87 F 4.9987 8.6392 125.2046 55.4529 42.8245 174.1945 88 Q 4.4599 8.7366 123.1632 55.5738 29.7786 175.4021 89 Q 4.2406 9.9019 128.3930 56.5343 29.5660 175.6311 90 Q 4.7866 8.5772 123.4101 54.8337 31.2598 174.5693 91 T 4.5986 7.8451 107.6997 61.0866 71.4397 172.5481 92 G 4.0087 7.5029 109.9117 45.0739 0.0000 173.8519 93 G 3.7537 8.4455 107.4293 46.3919 0.0000 173.3316 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 20 L 7.94 5.01 0.00 1.72 1.78 0.79 0.58 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 K 8.07 4.61 0.00 1.79 1.63 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.50 7.81 22 V 9.01 4.72 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 0.75 0.00 0.00 0.87 0.00 0.00 23 A 7.93 3.97 1.23 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 0.00 0.00 24 G 7.82 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.54 4.17 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 26 D 7.94 4.50 0.00 2.76 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 27 G 7.63 3.11 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 0.00 0.00 0.00 28 S 7.95 4.49 0.00 4.04 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 29 V 7.71 4.61 2.05 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 0.60 0.00 0.00 0.91 0.00 0.00 30 V 7.65 4.25 2.09 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 0.92 0.00 0.00 0.91 0.00 0.00 31 Q 8.19 4.72 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.41 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 32 F 8.13 4.65 0.00 2.85 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 33 K 8.88 4.38 0.00 1.77 1.67 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.39 7.81 34 I 7.97 4.27 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.36 0.87 0.00 0.00 35 K 8.40 4.10 0.00 1.73 1.74 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 36 R 8.46 3.82 0.00 1.89 1.72 0.00 3.22 0.00 0.00 3.26 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 37 H 8.63 4.51 0.00 3.10 3.29 0.00 5.97 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 T 7.95 3.98 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 1.26 0.00 0.00 39 P 0.00 4.31 0.00 2.17 1.95 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 40 L 8.08 4.33 0.00 1.53 1.56 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.85 4.01 0.00 3.92 4.09 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 42 K 7.84 4.19 0.00 1.78 1.81 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.37 7.81 43 L 7.82 4.22 0.00 1.58 1.70 0.63 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.50 4.72 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.81 0.00 45 K 7.99 4.04 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.69 7.81 46 A 7.23 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.38 4.38 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 48 C 8.13 4.45 0.00 3.25 3.13 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 0.00 0.00 0.00 0.00 49 E 7.89 4.01 0.00 2.05 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 2.53 0.00 50 R 8.01 4.25 0.00 1.86 2.06 0.00 3.35 0.00 0.00 3.60 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 51 Q 8.31 4.54 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 52 G 8.46 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.77 3.87 0.00 1.67 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.50 4.57 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.59 4.23 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.82 0.00 56 R 8.05 4.17 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 57 Q 8.12 4.66 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 58 I 7.52 4.89 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.86 0.00 0.00 59 R 8.54 4.79 0.00 1.97 2.08 0.00 2.78 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 60 F 9.12 5.18 0.00 3.08 3.07 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 61 R 8.86 4.74 0.00 2.10 2.13 0.00 3.50 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 62 F 9.13 5.11 0.00 3.10 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 D 10.18 4.34 0.00 2.15 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 0.00 0.00 0.00 0.00 64 G 8.50 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 0.00 0.00 0.00 65 Q 8.09 4.07 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 66 P 0.00 4.87 0.00 2.13 2.17 0.00 3.40 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 67 I 8.60 4.23 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.89 0.00 0.00 68 N 8.44 4.82 0.00 2.94 2.71 0.00 0.00 6.97 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 69 E 8.92 3.89 0.00 2.00 1.88 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 2.38 2.33 0.00 70 T 7.69 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 1.19 0.00 0.00 71 D 7.73 4.89 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.83 4.87 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 1.27 0.00 0.00 73 P 0.00 4.05 0.00 2.11 2.03 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 74 A 8.02 3.97 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 75 Q 7.67 3.99 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 76 L 8.04 4.11 0.00 1.99 1.92 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.01 3.85 0.00 2.20 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 0.00 2.61 2.29 0.00 78 M 8.20 5.00 0.00 1.55 1.80 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.10 0.00 79 E 9.70 4.93 0.00 1.93 1.88 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 2.24 2.24 0.00 80 D 8.47 4.33 0.00 2.62 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 81 E 9.15 3.89 0.00 2.13 2.15 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 2.16 2.37 0.00 82 D 7.79 4.82 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.60 4.76 4.31 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 1.22 0.00 0.00 84 I 7.97 4.66 1.89 0.00 0.00 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 1.22 0.66 1.09 0.00 0.00 85 D 8.55 4.92 0.00 2.73 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 0.00 0.00 0.00 0.00 86 V 7.39 4.53 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.74 0.00 0.00 87 F 8.64 5.00 0.00 3.01 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 88 Q 8.74 4.46 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 89 Q 9.90 4.24 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 90 Q 8.58 4.79 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 91 T 7.85 4.60 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 1.21 0.00 0.00 92 G 7.50 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 93 G 8.45 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