NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.0981 8.3144 120.0922 55.9093 34.2336 175.6868 4 D 4.3009 8.2723 120.6863 54.6553 42.3811 174.7026 5 F 5.2824 8.4452 124.3467 55.5539 43.4303 174.3975 6 I 4.4525 8.3483 115.0090 60.3554 39.6338 174.4938 7 I 4.8624 8.5663 116.9351 58.2596 42.0006 178.8713 8 N 3.8882 9.2051 121.8656 54.4259 38.6205 178.2191 9 E 4.2020 8.9266 127.6709 59.2358 29.3820 177.5528 10 Q 4.1218 7.9691 117.7410 58.0438 29.0513 176.8412 11 I 3.8710 7.3797 119.1516 61.4053 37.3953 176.0762 12 R 4.3626 8.3946 122.5103 56.1498 31.4389 176.7002 13 A 4.0522 7.8748 121.0750 52.2238 19.1338 177.4401 14 R 4.0648 8.7558 122.8992 58.7603 30.5774 176.0258 15 E 5.2573 7.7988 114.1877 54.7207 33.5125 175.4711 16 V 4.6477 8.7772 114.7471 59.7724 36.9755 174.1456 17 R 4.7398 8.8016 123.4094 55.2288 31.5333 174.6331 18 L 5.0164 8.8921 129.1672 53.5046 44.4349 174.8785 19 I 4.9910 8.4168 126.6911 59.4984 40.5835 175.7572 20 D 5.0658 8.8837 127.4045 51.9442 40.7964 177.0503 21 Q 4.2863 8.4700 115.8021 58.0665 28.3204 176.8660 22 N 4.6648 8.4945 113.7875 52.9223 39.1960 175.3686 23 G 3.9327 8.3345 107.1901 44.9015 0.0000 173.3111 24 D 4.3086 8.4681 120.8842 53.8462 41.5391 175.4154 25 Q 4.4768 8.4882 126.1894 55.1631 27.8392 175.8119 26 L 4.0468 8.6548 123.8907 55.2885 42.2928 178.4669 27 G 3.7791 7.9615 106.5212 44.0702 0.0000 171.4169 28 I 4.5396 7.9670 119.4480 60.9848 37.6572 176.0812 29 K 4.8576 9.1739 126.2948 54.1248 36.6558 176.1518 30 S 4.5600 8.5084 116.7142 58.0622 64.0967 175.0063 31 K 3.8491 8.8720 122.6793 59.7394 31.8445 178.9105 32 Q 3.9160 8.0253 119.2415 59.3744 29.0065 177.9902 33 E 4.1888 8.3758 121.0737 58.5987 29.6370 178.5347 34 A 3.9760 8.1213 120.9474 55.1976 18.4651 179.6517 35 L 3.9755 8.2092 117.6856 57.7783 41.7436 179.6699 36 E 3.9654 8.0772 118.6815 59.4504 28.9970 179.3689 37 I 3.7867 7.9225 119.6527 64.2594 37.1356 178.3486 38 A 3.9735 8.0497 121.3583 55.1105 18.2518 179.5319 39 A 3.9517 8.0659 119.5263 55.3052 18.2770 180.0984 40 R 3.9804 8.0654 113.3161 58.7007 29.5671 178.2219 41 R 4.3229 7.4749 115.9022 54.8327 30.8138 175.5794 42 N 4.1865 8.0878 115.2713 54.6605 36.5882 172.9713 43 L 4.9859 7.9460 115.8889 53.2834 46.2201 176.0623 44 D 5.0627 8.9767 119.0536 52.8936 44.1551 175.8896 45 L 4.6238 9.2069 123.6726 53.8016 43.6343 175.1636 46 V 4.3083 8.3562 127.3475 60.8934 33.8991 174.6629 47 L 4.4239 8.3202 130.8405 54.8655 40.4320 176.3710 48 V 3.0782 7.9654 118.6201 62.3812 32.7556 176.3972 49 A 4.5986 7.9290 121.8611 49.0338 18.5456 174.7789 50 P 4.1697 0.0000 0.0000 64.9961 31.9299 177.3938 51 N 4.6735 8.0126 111.8771 52.8996 38.8017 174.8671 52 A 4.2380 7.6461 121.5225 51.6020 19.3040 177.6402 53 K 4.4060 8.2202 118.6546 53.8964 33.5137 174.9586 54 P 4.5902 0.0000 0.0000 60.8598 32.6579 174.1794 55 P 4.5054 0.0000 0.0000 63.3742 32.5893 175.5663 56 V 4.5685 8.4074 123.7517 61.9048 33.3010 174.3627 57 C 5.2451 8.9570 125.1358 57.8630 31.6586 172.8099 58 R 5.0276 8.7258 122.6055 54.5392 33.0345 174.2722 59 I 4.6875 8.4280 127.2508 60.9072 38.5613 174.8356 60 M 4.5099 8.5535 123.1050 54.7297 35.3991 173.6922 61 D 4.8744 8.4905 119.0711 53.2931 41.0948 175.9515 62 Y 4.4959 9.4290 129.5567 60.7288 38.7008 178.1847 63 G 3.5612 8.2616 106.1778 47.7387 0.0000 175.4275 64 K 4.0268 8.5271 122.5568 58.9438 32.1987 178.6310 65 F 4.1173 8.3938 120.9086 61.5206 39.4283 177.3403 66 R 3.6526 8.2860 118.0203 58.9836 29.6914 178.8428 67 F 4.0935 8.4318 120.6600 61.4370 39.3500 177.0468 68 E 3.6343 8.1236 118.1331 59.3128 29.1691 179.4585 69 Q 3.7165 7.6476 118.0401 59.0310 28.7454 178.8709 70 Q 3.8724 7.8260 119.0415 58.4016 28.5697 178.5466 71 K 3.5659 7.7447 121.0158 59.2160 32.2921 178.3985 72 K 3.7121 7.8806 119.9322 59.7328 31.8054 178.3257 73 E 3.8947 7.6954 116.9275 59.3171 29.6801 179.3122 74 K 4.0656 7.9893 118.2664 59.5381 32.0386 179.1760 75 E 3.9055 8.3489 118.8415 59.4224 29.2647 179.0008 76 A 4.2637 7.7410 117.5242 53.4489 18.4688 177.9223 77 R 4.5421 7.6087 115.1095 55.2589 31.2674 176.1299 78 K 4.1686 7.8274 123.6109 56.9861 32.6770 175.9338 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 3 K 8.31 4.10 0.00 1.67 1.65 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.37 7.81 4 D 8.27 4.30 0.00 2.71 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 5 F 8.45 5.28 0.00 2.93 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 6 I 8.35 4.45 1.85 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 1.43 0.70 0.92 0.00 0.00 7 I 8.57 4.86 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.81 0.17 0.00 0.00 8 N 9.21 3.89 0.00 2.79 1.87 0.00 0.00 7.74 7.37 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 9 E 8.93 4.20 0.00 1.94 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 0.00 2.30 2.27 0.00 10 Q 7.97 4.12 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 11 I 7.38 3.87 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.42 0.90 0.00 0.00 12 R 8.39 4.36 0.00 1.77 1.95 0.00 3.38 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 13 A 7.87 4.05 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.76 4.06 0.00 1.85 1.92 0.00 3.12 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 15 E 7.80 5.26 0.00 1.82 1.76 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 2.19 2.30 0.00 16 V 8.78 4.65 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 0.66 0.00 0.00 0.94 0.00 0.00 17 R 8.80 4.74 0.00 1.86 1.77 0.00 3.05 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 18 L 8.89 5.02 0.00 1.75 1.47 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.42 4.99 1.82 0.00 0.00 0.82 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 0.51 0.88 0.00 0.00 20 D 8.88 5.07 0.00 2.80 2.81 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 21 Q 8.47 4.29 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 22 N 8.49 4.66 0.00 2.71 2.87 0.00 0.00 7.20 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 23 G 8.33 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 24 D 8.47 4.31 0.00 2.77 2.77 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 25 Q 8.49 4.48 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 26 L 8.65 4.05 0.00 1.77 1.70 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 4.54 1.86 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 1.33 0.44 0.90 0.00 0.00 29 K 9.17 4.86 0.00 1.56 1.62 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 30 S 8.51 4.56 0.00 3.89 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 31 K 8.87 3.85 0.00 2.02 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 32 Q 8.03 3.92 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 33 E 8.38 4.19 0.00 2.10 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 2.29 2.17 0.00 34 A 8.12 3.98 1.35 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 0.00 0.00 35 L 8.21 3.98 0.00 1.86 1.71 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.08 3.97 0.00 2.21 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 2.56 0.00 37 I 7.92 3.79 1.98 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 1.44 1.13 0.90 0.00 0.00 38 A 8.05 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.95 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 40 R 8.07 3.98 0.00 1.98 2.08 0.00 3.05 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 41 R 7.47 4.32 0.00 1.92 2.00 0.00 3.31 0.00 0.00 3.37 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 42 N 8.09 4.19 0.00 2.88 2.90 0.00 0.00 6.70 7.32 0.00 0.00 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 7.95 4.99 0.00 1.46 1.56 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.98 5.06 0.00 2.74 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 45 L 9.21 4.62 0.00 1.67 1.49 0.87 0.89 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 46 V 8.36 4.31 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 0.54 0.00 0.00 0.81 0.00 0.00 47 L 8.32 4.42 0.00 1.64 1.68 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.97 3.08 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 0.03 0.00 0.00 0.78 0.00 0.00 49 A 7.93 4.60 1.19 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 50 P 0.00 4.17 0.00 2.08 2.17 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 51 N 8.01 4.67 0.00 2.72 2.84 0.00 0.00 6.88 7.35 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 52 A 7.65 4.24 1.27 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 0.00 0.00 0.00 53 K 8.22 4.41 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 54 P 0.00 4.59 0.00 2.16 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 55 P 0.00 4.51 0.00 2.07 2.01 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 56 V 8.41 4.57 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 0.89 0.00 0.00 0.96 0.00 0.00 57 C 8.96 5.25 0.00 2.81 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 58 R 8.73 5.03 0.00 1.66 1.50 0.00 2.90 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 59 I 8.43 4.69 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.90 0.00 0.00 60 M 8.55 4.51 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 61 D 8.49 4.87 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 9.43 4.50 0.00 3.09 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 63 G 8.26 3.56 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 0.00 0.00 0.00 64 K 8.53 4.03 0.00 2.00 1.92 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.52 7.81 65 F 8.39 4.12 0.00 3.26 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 66 R 8.29 3.65 0.00 1.66 1.79 0.00 3.27 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.00 67 F 8.43 4.09 0.00 3.07 3.24 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 68 E 8.12 3.63 0.00 2.05 1.86 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 2.62 2.54 0.00 69 Q 7.65 3.72 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 70 Q 7.83 3.87 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 71 K 7.74 3.57 0.00 1.10 1.59 0.00 1.27 0.00 0.00 1.42 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.14 7.81 72 K 7.88 3.71 0.00 1.78 1.93 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.44 7.81 73 E 7.70 3.89 0.00 2.01 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 2.28 2.34 0.00 74 K 7.99 4.07 0.00 2.02 1.79 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 75 E 8.35 3.91 0.00 1.90 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 2.48 2.41 0.00 76 A 7.74 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.54 0.00 1.76 1.89 0.00 3.19 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 78 K 7.83 4.17 0.00 1.73 1.69 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.32 7.81