NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4396 8.2893 118.1876 54.9533 32.7939 175.5452 54 T 3.9774 7.9995 110.5347 60.8397 70.9272 173.9699 55 L 3.9647 8.6411 122.7312 58.2001 42.1917 180.3738 56 D 4.3303 8.1420 117.2416 57.6232 41.0402 177.9678 57 E 3.9965 8.3508 119.5744 59.2173 29.7146 178.8460 58 S 4.1444 8.1649 115.3573 61.7550 62.8287 176.4550 59 C 4.2722 8.3173 119.4634 62.6756 27.9300 176.2576 60 K 3.9420 8.1044 119.9206 59.6330 31.4842 179.1204 61 I 3.7186 7.7620 118.8508 64.4455 37.2430 177.7068 62 L 4.3313 7.8367 115.9592 53.7304 42.6925 175.6301 63 N 4.1372 7.8122 115.7196 54.7886 37.2797 174.0842 64 I 4.3057 8.0374 118.5484 59.4602 39.4148 175.4979 65 E 4.4765 9.0903 127.0640 54.0800 29.9735 175.9731 66 E 4.0315 8.7357 128.8424 58.9514 30.0472 178.9636 67 S 4.1602 7.9603 112.5859 60.6811 63.4816 174.7462 68 K 4.0880 8.0653 119.2355 56.3042 31.6679 176.9899 69 G 3.9548 8.0215 105.8678 46.7164 0.0000 175.5773 70 D 4.1379 7.9369 120.2361 56.3850 41.1834 177.4230 71 L 4.3832 7.0601 122.5967 53.7006 40.3160 175.6242 72 N 5.0909 7.5187 119.0661 49.8978 42.3087 174.8885 73 M 3.9654 8.5700 120.8627 59.1348 32.3492 178.1282 74 D 4.3234 8.0945 117.5841 57.0036 41.4179 177.9634 75 K 3.9891 8.3621 120.3796 59.4207 32.1351 178.8982 76 I 3.7359 7.8082 120.1446 64.4359 36.9947 177.9975 77 N 4.3881 8.3178 117.2944 56.6493 38.4329 177.2569 78 N 4.4267 8.3559 117.6466 56.2822 38.5476 177.7182 79 R 4.0409 8.3429 119.7149 59.3178 30.1144 178.4749 80 F 4.0919 8.6144 120.6305 61.6179 39.2196 176.7263 81 N 4.1865 8.6367 115.7234 56.6535 38.4782 176.5785 82 Y 4.2791 8.1920 120.6171 60.9832 38.7179 178.1663 83 L 3.6597 8.4265 120.1352 57.3433 41.4694 179.4759 84 F 3.7272 7.8497 120.2891 61.1955 39.7695 176.5252 85 E 4.0586 7.8649 119.0802 59.2758 28.9232 178.7595 86 V 3.5116 7.5684 118.2332 65.5334 31.2042 176.6596 87 N 4.7530 7.3273 114.3940 52.7556 38.6246 174.1943 88 D 4.5971 7.8398 118.6286 53.5350 41.6197 177.7415 89 K 4.1878 8.4293 123.9459 58.9166 32.8973 177.7287 90 E 4.1566 8.5580 118.1946 57.2061 29.1582 175.8360 91 K 4.3796 7.6064 117.4888 56.0235 35.1469 175.7227 92 G 4.2514 7.9712 106.0828 44.8885 0.0000 172.2568 93 G 3.8093 7.3119 112.9297 44.0381 0.0000 173.5842 94 S 4.4849 8.5997 118.5718 55.9431 65.9604 175.8718 95 F 4.0807 8.7192 122.6573 61.1309 39.0518 176.6920 96 Y 3.8785 8.0325 119.0646 60.6945 38.7460 177.8130 97 L 4.0202 8.1454 119.9053 57.8704 41.1365 179.5697 98 Q 3.6491 7.8482 118.0182 58.8071 28.4419 179.0023 99 S 4.0271 7.7309 116.2662 61.4172 62.7248 176.7711 100 K 3.8611 7.6907 121.1054 59.3994 31.7666 179.5449 101 V 3.6385 7.8029 118.3798 66.1865 31.4663 177.3232 102 Y 4.3676 8.6738 119.6614 61.0538 38.5751 178.4385 103 R 3.8834 8.6877 119.1033 59.0143 30.1439 178.8042 104 A 4.0372 8.5682 121.9168 54.6440 18.3912 179.5159 105 A 3.9060 8.0333 119.2003 55.1044 18.3990 179.1962 106 E 3.6155 7.9873 117.9312 59.5056 29.6216 179.0891 107 R 3.9090 8.0987 118.6046 59.6299 30.1784 178.5138 108 L 4.1039 8.0389 118.7119 57.6223 41.6247 179.6161 109 K 4.0327 8.5205 119.0787 58.8406 31.8590 179.2512 110 W 4.0918 8.2783 128.9586 60.2337 30.6350 177.5615 111 E 3.8145 8.3234 119.2401 59.4557 29.1461 178.6490 112 L 3.9241 7.9285 118.6327 57.8940 41.4260 179.5447 113 A 3.8606 7.6495 119.6504 55.1319 18.4408 179.4210 114 Q 3.7705 7.7068 116.7318 59.0424 28.4993 179.1737 115 R 3.8778 8.2033 118.4346 59.1628 30.1507 178.4863 116 E 4.0068 8.0352 118.1416 57.8890 29.6712 176.9412 117 K 4.2007 7.3948 123.5767 56.3904 32.4553 175.3863 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 53 M 8.29 4.44 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 54 T 8.00 3.98 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 55 L 8.64 3.96 0.00 1.73 1.79 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.14 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 57 E 8.35 4.00 0.00 2.10 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 2.32 2.36 0.00 58 S 8.16 4.14 0.00 4.10 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 59 C 8.32 4.27 0.00 3.14 3.23 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 60 K 8.10 3.94 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 61 I 7.76 3.72 2.03 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 1.54 0.58 0.99 0.00 0.00 62 L 7.84 4.33 0.00 1.75 1.77 1.02 1.03 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 63 N 7.81 4.14 0.00 2.90 2.92 0.00 0.00 7.01 8.27 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 64 I 8.04 4.31 1.89 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 1.22 1.05 0.93 0.00 0.00 65 E 9.09 4.48 0.00 2.02 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 2.21 2.26 0.00 66 E 8.74 4.03 0.00 2.05 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 2.38 2.31 0.00 67 S 7.96 4.16 0.00 4.02 3.98 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 68 K 8.07 4.09 0.00 1.74 1.96 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.43 7.81 69 G 8.02 3.95 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 0.00 0.00 0.00 70 D 7.94 4.14 0.00 2.90 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 71 L 7.06 4.38 0.00 1.41 1.60 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.52 5.09 0.00 2.95 2.83 0.00 0.00 5.73 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 73 M 8.57 3.97 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 74 D 8.09 4.32 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 75 K 8.36 3.99 0.00 1.89 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 76 I 7.81 3.74 2.01 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 1.54 0.65 0.92 0.00 0.00 77 N 8.32 4.39 0.00 2.97 2.93 0.00 0.00 7.08 6.44 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 78 N 8.36 4.43 0.00 2.96 2.89 0.00 0.00 7.09 7.11 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 79 R 8.34 4.04 0.00 2.07 2.08 0.00 3.38 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 80 F 8.61 4.09 0.00 3.16 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.19 0.00 2.98 2.95 0.00 0.00 6.78 7.02 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 82 Y 8.19 4.28 0.00 2.99 3.18 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 0.00 0.00 0.00 0.00 83 L 8.43 3.66 0.00 1.71 1.61 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.85 3.73 0.00 2.22 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.86 4.06 0.00 2.15 1.91 0.00 0.00 0.00 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 2.36 0.00 86 V 7.57 3.51 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.48 0.00 0.00 87 N 7.33 4.75 0.00 2.70 2.58 0.00 0.00 6.55 7.85 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 88 D 7.84 4.60 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 89 K 8.43 4.19 0.00 1.92 1.97 0.00 1.25 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 90 E 8.56 4.16 0.00 2.24 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 2.33 2.28 0.00 91 K 7.61 4.38 0.00 1.61 1.55 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.32 7.81 92 G 7.97 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 0.00 0.00 0.00 0.00 93 G 7.31 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 0.00 0.00 0.00 94 S 8.60 4.48 0.00 3.98 3.94 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 95 F 8.72 4.08 0.00 3.19 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 96 Y 8.03 3.88 0.00 3.15 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.15 4.02 0.00 1.68 1.65 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.85 3.65 0.00 1.72 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.65 2.31 0.00 99 S 7.73 4.03 0.00 3.60 3.66 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 0.00 0.00 0.00 0.00 100 K 7.69 3.86 0.00 2.02 1.82 0.00 1.16 0.00 0.00 1.01 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.39 7.81 101 V 7.80 3.64 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 1.10 0.00 0.00 0.94 0.00 0.00 102 Y 8.67 4.37 0.00 3.51 3.25 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 0.00 103 R 8.69 3.88 0.00 1.85 1.97 0.00 3.45 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 104 A 8.57 4.04 1.47 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 0.00 0.00 105 A 8.03 3.91 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 0.00 106 E 7.99 3.62 0.00 1.66 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 2.21 2.16 0.00 107 R 8.10 3.91 0.00 1.93 2.07 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 108 L 8.04 4.10 0.00 1.74 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.52 4.03 0.00 1.77 1.81 0.00 1.53 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.46 7.81 110 W 8.28 4.09 0.00 3.47 3.31 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 0.00 111 E 8.32 3.81 0.00 2.36 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 0.00 2.33 2.39 0.00 112 L 7.93 3.92 0.00 1.87 1.66 0.90 0.71 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 0.00 113 A 7.65 3.86 1.11 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 0.00 114 Q 7.71 3.77 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.60 2.17 0.00 115 R 8.20 3.88 0.00 1.66 1.94 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 116 E 8.04 4.01 0.00 1.98 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 2.26 2.26 0.00 117 K 7.39 4.20 0.00 1.64 1.75 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.34 7.81