NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4683 8.1693 120.6438 55.0157 43.0275 176.5550 4 T 4.4083 8.7005 113.2383 59.4561 72.3619 173.3941 5 P 4.6090 0.0000 0.0000 66.0345 31.7256 180.0436 6 N 4.4745 8.1747 114.6716 56.1598 38.3495 176.9114 7 D 4.3861 8.2646 120.6242 57.5022 40.6268 178.9913 8 I 3.7617 7.4530 119.2219 64.6217 37.1997 177.6590 9 H 4.2921 8.1735 117.6407 59.1209 29.8577 176.4093 10 N 4.4386 8.1055 116.9938 53.7501 38.9677 175.7060 11 K 3.7844 7.2077 122.0179 56.5673 32.7220 175.7813 12 T 4.4295 7.7694 114.5026 59.6601 71.5376 173.1686 13 F 4.9088 8.0182 119.5872 55.5843 42.7890 175.1615 14 T 4.2048 8.5587 113.7855 61.6760 69.4501 173.6103 15 K 4.6769 8.2635 120.9655 55.0076 34.3760 175.8538 16 S 4.8054 8.0410 115.6686 56.5064 67.1259 174.4191 17 F 3.8964 9.0938 123.7389 60.9580 39.0328 175.6571 18 R 4.3758 8.0565 123.7416 54.3571 29.3732 174.2748 19 G 4.2396 7.9859 113.9766 43.4658 0.0000 169.3834 20 Y 4.7311 8.0900 116.1994 56.3781 39.3995 175.7997 21 D 4.3756 8.7693 122.5290 55.0403 42.2237 177.3949 22 E 4.0436 8.8489 126.5100 59.6162 29.5625 179.0162 23 D 4.3868 8.1308 118.4980 57.4132 40.9787 178.5150 24 E 3.9572 8.6795 119.1946 59.3414 29.3649 179.6008 25 V 3.6049 7.9170 118.2834 66.1397 31.6236 177.9074 26 N 4.4511 8.6125 116.6451 56.3531 38.4540 177.3528 27 E 4.0376 8.6051 120.4331 59.2141 29.4603 179.1545 28 F 4.2013 8.4278 120.7716 61.3966 39.4959 177.3106 29 L 3.8395 8.4953 118.5494 57.3517 41.3461 179.3567 30 A 3.9866 8.0717 121.2754 54.8874 18.2931 179.5157 31 Q 3.8045 7.7997 117.9693 59.3024 29.1197 178.4434 32 V 3.3906 7.5446 119.6333 65.7770 31.3615 177.8866 33 R 3.9505 8.1813 118.6949 59.5461 29.9889 178.7147 34 K 3.9787 8.1123 118.1914 59.4687 31.9385 179.2120 35 D 4.3243 8.1938 119.2277 57.4238 40.7332 178.0911 36 Y 4.2837 8.3714 120.4495 60.8870 38.8527 177.8279 37 E 3.7539 8.5126 120.4102 59.1413 29.6029 178.8973 38 I 3.7064 7.7514 120.1619 64.3291 37.1567 178.8220 39 V 3.6122 8.0077 120.1857 64.6821 31.2337 178.2577 40 L 3.8433 7.9256 119.7529 57.5315 41.4188 179.4900 41 R 3.8441 7.9864 118.4187 59.4037 29.9860 178.7329 42 K 4.1142 8.2506 118.4891 59.2490 32.0272 179.2598 43 K 3.9158 8.3976 120.3097 59.8674 32.1381 178.9778 44 T 3.8668 7.9236 115.9476 66.6393 68.2651 176.5217 45 E 3.9446 8.3280 120.4841 59.4788 29.4556 179.4337 46 L 3.9872 8.3172 119.4006 57.7729 41.6101 179.5121 47 E 3.9381 8.2118 118.4817 59.2525 29.3853 179.1684 48 A 4.0230 7.9946 120.9231 55.0691 18.2217 179.6408 49 K 4.0292 8.0974 117.3531 59.4630 32.2789 178.9282 50 V 3.7764 7.7570 118.2345 65.6399 31.5079 177.5792 51 N 4.4650 8.4106 116.0439 56.1594 38.5541 174.6633 52 E 4.0909 8.3926 124.5402 56.4929 29.6935 176.1432 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 L 8.17 4.47 0.00 1.70 1.75 0.87 0.57 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 4 T 8.70 4.41 4.26 0.00 0.00 0.00 0.00 0.00 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 5 P 0.00 4.61 0.00 2.18 2.19 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 6 N 8.17 4.47 0.00 2.75 2.89 0.00 0.00 7.12 8.08 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 7 D 8.26 4.39 0.00 2.95 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 8 I 7.45 3.76 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.96 0.00 0.00 9 H 8.17 4.29 0.00 3.13 3.51 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.11 4.44 0.00 2.71 2.82 0.00 0.00 6.97 7.16 0.00 0.00 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 7.21 3.78 0.00 1.70 1.56 0.00 1.39 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.28 0.47 7.81 12 T 7.77 4.43 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 1.11 0.00 0.00 13 F 8.02 4.91 0.00 3.04 2.94 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 14 T 8.56 4.20 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 1.25 0.00 0.00 15 K 8.26 4.68 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.39 7.81 16 S 8.04 4.81 0.00 3.77 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 17 F 9.09 3.90 0.00 3.02 3.06 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 18 R 8.06 4.38 0.00 1.96 1.88 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 19 G 7.99 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 0.00 0.00 0.00 0.00 20 Y 8.09 4.73 0.00 2.88 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 21 D 8.77 4.38 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.04 0.00 2.08 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 2.46 2.44 0.00 23 D 8.13 4.39 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.68 3.96 0.00 2.09 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 2.31 2.53 0.00 25 V 7.92 3.60 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 1.10 0.00 0.00 0.81 0.00 0.00 26 N 8.61 4.45 0.00 2.97 2.90 0.00 0.00 7.07 7.43 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 27 E 8.61 4.04 0.00 2.11 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 2.36 2.48 0.00 28 F 8.43 4.20 0.00 3.21 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 29 L 8.50 3.84 0.00 1.78 1.75 1.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.07 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.80 3.80 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 32 V 7.54 3.39 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 0.82 0.00 0.00 0.16 0.00 0.00 33 R 8.18 3.95 0.00 1.98 2.11 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 34 K 8.11 3.98 0.00 1.96 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.64 7.81 35 D 8.19 4.32 0.00 2.68 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 36 Y 8.37 4.28 0.00 2.94 3.17 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 0.00 0.00 0.00 37 E 8.51 3.75 0.00 2.14 2.06 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 2.26 2.28 0.00 38 I 7.75 3.71 2.02 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 1.56 0.52 0.90 0.00 0.00 39 V 8.01 3.61 2.11 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 1.16 0.00 0.00 0.95 0.00 0.00 40 L 7.93 3.84 0.00 1.62 1.57 0.06 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.99 3.84 0.00 1.95 2.00 0.00 3.29 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 1.60 1.64 0.00 42 K 8.25 4.11 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 43 K 8.40 3.92 0.00 1.82 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.62 7.81 44 T 7.92 3.87 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 1.19 0.00 0.00 45 E 8.33 3.94 0.00 2.16 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 2.32 2.40 0.00 46 L 8.32 3.99 0.00 1.82 1.71 0.92 0.80 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 47 E 8.21 3.94 0.00 2.18 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 2.47 0.00 48 A 7.99 4.02 1.38 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 0.00 0.00 49 K 8.10 4.03 0.00 1.75 1.99 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 50 V 7.76 3.78 2.22 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 0.89 0.00 0.00 0.97 0.00 0.00 51 N 8.41 4.47 0.00 2.84 2.86 0.00 0.00 6.98 7.56 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 52 E 8.39 4.09 0.00 1.86 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 2.32 2.30 0.00