NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0130 7.9133 120.3916 62.7391 32.7087 174.5879 6 R 4.1606 8.0873 122.9648 55.8747 31.5100 176.3357 7 I 3.4615 8.6218 118.7087 61.4276 35.9959 174.7449 8 K 4.1044 7.2893 119.8795 56.3715 34.4229 177.8825 9 L 3.2996 7.4278 115.1593 54.7377 41.6043 174.8740 10 L 4.5485 8.0932 124.6015 55.6602 41.2978 175.1182 11 L 4.8438 7.4313 117.9271 56.4754 44.0802 172.7905 12 E 4.8176 8.7250 117.4474 54.9737 33.8220 175.1365 13 C 5.6541 8.6926 117.9145 57.8576 31.2076 172.9050 14 T 5.2792 8.2211 115.8722 58.8072 69.7649 172.5949 15 E 3.5080 8.6202 130.1016 56.5211 30.2875 178.2170 16 C 4.3459 8.2545 123.4830 60.5453 29.2046 173.3816 17 K 3.4929 8.1667 117.0724 62.5741 29.0663 174.6497 18 R 2.8503 8.5617 115.1707 56.2211 33.8820 177.1834 19 R 3.0561 8.8039 123.5176 56.8680 29.3477 179.3759 20 N 3.7505 8.0563 116.1642 54.6020 36.6321 173.0175 21 Y 5.7128 8.6371 122.5571 55.5870 41.8210 174.2842 22 A 4.6931 8.7265 119.1575 51.9575 24.9920 174.1709 23 T 3.5670 8.2421 109.5978 61.7543 71.0467 169.9845 24 E 4.6262 7.8852 124.5635 55.1404 30.2778 176.4831 25 K 4.7707 8.4702 126.6986 56.4537 35.7535 175.4019 26 N 4.9618 8.0044 122.4762 52.6630 38.0700 175.4744 27 K 4.9948 8.9238 126.7661 59.0966 35.5060 180.0346 28 R 3.0468 8.6895 113.4912 56.3219 30.9558 177.2017 29 N 4.3949 9.2918 123.2606 56.7055 38.4705 176.5785 30 T 3.9355 7.7317 114.0097 61.0190 67.8435 169.0147 31 P 4.5093 0.0000 0.0000 62.0004 30.7767 173.8605 32 N 4.8242 8.7762 117.1256 52.3328 43.7608 173.9119 33 K 4.5393 8.2646 123.5262 56.2747 31.0662 178.7838 34 L 4.8882 8.4979 112.5331 52.5210 44.2281 174.3470 35 E 4.2509 8.1497 120.2324 55.5741 31.5507 175.4093 36 L 5.9189 8.1685 125.3376 54.9506 44.6166 172.9240 37 R 4.7400 8.5259 122.3581 54.0276 32.4874 174.6216 38 K 4.1520 8.7592 122.6699 57.5694 32.5933 174.8855 39 Y 4.4699 8.6384 122.5046 56.8386 42.8450 172.9243 40 C 5.4444 8.4970 122.7701 56.7692 32.6998 170.9404 41 P 5.0879 0.0000 0.0000 60.3996 33.2027 174.5721 42 W 5.0409 9.1126 131.7706 61.1751 30.6191 175.5756 43 C 3.8930 8.0693 120.6203 62.8508 28.0414 173.7883 44 R 4.2636 8.3309 124.6646 55.6955 27.4744 175.2330 45 K 4.5866 8.2554 123.8683 57.9896 32.8042 174.9771 46 H 5.3769 8.6866 123.5130 55.8398 31.7072 172.4258 47 T 4.6606 9.2547 116.5050 62.3643 65.8955 174.4205 48 V 4.2716 7.9832 108.1836 59.1134 35.1176 173.1234 49 H 5.1101 8.3828 118.2644 55.7059 28.7290 174.2448 50 R 5.1408 7.8397 115.8241 53.0350 32.6306 173.7602 51 E 4.5233 8.4947 119.4127 55.1840 30.6161 175.1295 52 V 4.7069 9.1792 122.0873 61.1552 32.6408 171.1285 53 K 3.5033 8.2313 122.6695 57.2634 31.9631 174.8891 54 I 3.8798 8.1934 107.5551 61.0288 37.4546 175.9986 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 5 V 7.91 4.01 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 0.96 0.00 0.00 0.93 0.00 0.00 6 R 8.09 4.16 0.00 2.03 1.82 0.00 3.28 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 7 I 8.62 3.46 1.87 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 1.30 0.98 0.91 0.00 0.00 8 K 7.29 4.10 0.00 1.63 1.95 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 L 7.43 3.30 0.00 1.95 2.11 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.09 4.55 0.00 1.76 1.69 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.43 4.84 0.00 1.79 1.77 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.73 4.82 0.00 1.91 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 2.20 2.24 0.00 13 C 8.69 5.65 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.22 5.28 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 E 8.62 3.51 0.00 1.79 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 0.00 2.21 2.33 0.00 16 C 8.25 4.35 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.17 3.49 0.00 2.05 1.86 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.44 7.81 18 R 8.56 2.85 0.00 1.79 2.22 0.00 3.41 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 19 R 8.80 3.06 0.00 1.87 1.66 0.00 3.29 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 20 N 8.06 3.75 0.00 2.76 3.14 0.00 0.00 6.59 7.48 0.00 0.00 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 Y 8.64 5.71 0.00 2.86 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 22 A 8.73 4.69 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 23 T 8.24 3.57 4.41 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 1.28 0.00 0.00 24 E 7.89 4.63 0.00 1.92 1.26 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 2.05 2.14 0.00 25 K 8.47 4.77 0.00 1.65 1.60 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.45 7.81 26 N 8.00 4.96 0.00 2.85 2.45 0.00 0.00 6.77 6.91 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 27 K 8.92 4.99 0.00 1.72 1.70 0.00 1.80 0.00 0.00 2.04 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.15 7.81 28 R 8.69 3.05 0.00 1.92 2.01 0.00 3.27 0.00 0.00 3.27 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 29 N 9.29 4.39 0.00 2.80 2.95 0.00 0.00 5.87 7.71 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 30 T 7.73 3.94 4.32 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 1.24 0.00 0.00 31 P 0.00 4.51 0.00 2.08 2.03 0.00 3.75 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 2.04 2.16 0.00 32 N 8.78 4.82 0.00 2.98 2.69 0.00 0.00 6.75 7.61 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 33 K 8.26 4.54 0.00 1.70 0.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 34 L 8.50 4.89 0.00 1.53 1.53 0.92 nan 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 35 E 8.15 4.25 0.00 2.21 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 2.25 2.27 0.00 36 L 8.17 5.92 0.00 1.69 1.58 1.02 0.97 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 37 R 8.53 4.74 0.00 1.88 1.86 0.00 3.15 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 38 K 8.76 4.15 0.00 1.82 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.81 7.81 39 Y 8.64 4.47 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.50 5.44 0.00 2.28 2.65 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 0.00 0.00 0.00 0.00 41 P 0.00 5.09 0.00 2.41 2.20 0.00 4.33 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 42 W 9.11 5.04 0.00 3.19 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 43 C 8.07 3.89 0.00 3.24 2.91 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 0.00 0.00 0.00 44 R 8.33 4.26 0.00 1.87 1.92 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 45 K 8.26 4.59 0.00 1.76 1.47 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 46 H 8.69 5.38 0.00 3.14 3.18 0.00 5.64 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 47 T 9.25 4.66 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 1.43 0.00 0.00 48 V 7.98 4.27 2.12 0.00 0.00 0.00 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 0.93 0.00 0.00 49 H 8.38 5.11 0.00 3.60 3.40 0.00 6.03 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.84 5.14 0.00 2.00 2.00 0.00 3.11 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 51 E 8.49 4.52 0.00 2.03 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 2.30 2.30 0.00 52 V 9.18 4.71 2.13 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 0.87 0.00 0.00 1.00 0.00 0.00 53 K 8.23 3.50 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.44 7.81 54 I 8.19 3.88 1.84 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 1.21 0.43 0.88 0.00 0.00