NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4830 8.2893 118.1921 54.1948 33.0262 174.3722 2 D 4.2531 7.9736 126.5995 53.5781 41.7091 172.0746 3 E 4.5856 8.5535 118.4814 55.1880 33.6776 176.8069 4 T 4.1818 8.6696 118.8660 59.7322 66.4288 173.8363 5 G 4.1900 7.5297 109.9536 43.5697 0.0000 169.9732 6 K 4.2956 8.0232 118.7625 53.4289 33.9167 178.1064 7 E 3.7027 9.4150 122.4072 55.7537 29.5383 171.3206 8 L 3.9293 8.7420 127.7278 54.1556 42.7635 173.7884 9 V 4.9130 8.6252 115.8961 59.4172 36.2681 174.2253 10 L 5.0320 8.8573 125.6857 53.0929 44.1129 175.2762 11 A 4.3217 8.6282 129.1963 52.4473 18.6364 177.7449 12 L 3.9731 8.3541 123.5762 57.2019 42.3412 177.2520 13 Y 5.1457 7.3068 113.7690 55.8568 41.1626 175.1346 14 D 4.9732 8.7707 121.3820 53.1672 41.0464 174.9677 15 Y 4.8927 9.4860 123.8048 55.8499 42.0286 173.5499 16 Q 4.7369 8.2711 128.3124 53.8992 30.2014 174.7049 17 E 4.1735 8.0922 126.1968 57.1885 29.8724 178.1272 18 K 4.3507 9.7087 123.5732 57.2602 33.8144 176.6709 19 S 4.6868 7.5695 114.1384 55.7511 65.9239 173.2461 20 P 4.3452 0.0000 0.0000 65.1390 31.1719 176.9481 21 A 4.1993 7.8909 121.1017 53.2829 18.9953 176.5496 22 E 5.6250 7.9960 115.6243 54.4430 31.7895 175.6930 23 V 4.8344 8.2558 112.3958 58.9145 35.3709 175.9022 24 T 4.7316 8.7608 120.8805 63.2614 69.2400 174.1043 25 M 4.9791 9.3042 123.8034 53.4281 35.1855 174.2468 26 K 5.0503 8.5335 120.3359 54.1112 34.7318 176.1935 27 K 4.1405 8.7553 123.9673 58.4435 32.9944 175.9274 28 G 4.1062 9.0345 109.2543 45.6817 0.0000 174.0800 29 D 4.6235 7.8343 118.6655 54.1983 42.3209 175.7574 30 I 4.6628 8.2651 122.6378 60.2134 38.3349 175.2923 31 L 4.7742 9.0962 127.3909 53.3503 45.0796 175.5260 32 T 4.5894 8.0856 117.7069 62.5948 70.1401 173.9510 33 L 4.5983 8.5029 128.8038 54.5277 42.1149 175.8127 34 L 4.5937 9.0372 127.0299 55.9475 43.5073 176.9323 35 N 4.7731 7.7384 117.5006 52.4258 42.0785 174.7446 36 S 2.8404 8.2786 118.5921 57.5764 63.8270 174.2721 37 T 4.1231 7.7683 113.9962 62.7220 67.5612 173.7774 38 N 4.8795 7.4477 119.5830 52.9326 39.9073 175.1859 39 K 4.2978 8.7809 124.0161 58.9121 33.1964 175.7853 40 D 4.5919 7.8053 116.3554 53.4399 41.6007 175.2688 41 W 4.9753 9.1480 123.7099 54.2664 30.1563 175.8591 42 W 5.2146 9.3628 125.7597 55.8900 31.0906 175.2271 43 K 5.0751 8.8453 123.2314 55.0046 33.8395 175.4918 44 V 5.0431 8.9405 119.7901 59.6710 36.6754 173.7831 45 E 5.0360 8.9694 124.1060 54.5896 31.7578 174.9184 46 V 4.1221 8.2917 126.5378 63.1525 34.9360 174.4286 47 N 4.3761 9.6066 122.7190 53.4496 37.6095 174.0595 48 D 4.6194 8.3445 113.7017 52.2227 42.5594 175.1664 49 R 4.5776 8.8660 122.6527 54.8612 32.1600 174.5669 50 Q 5.2177 8.2489 125.4979 53.8384 29.6724 174.3941 51 G 3.7409 8.2737 117.9672 45.4724 0.0000 169.9960 52 F 5.9054 9.3631 122.0841 56.3436 41.9736 175.5616 53 V 5.0358 9.4571 114.4212 58.7613 36.6963 172.9774 54 P 3.7851 0.0000 0.0000 62.3420 31.2626 177.3963 55 A 2.5800 7.9327 126.2850 54.4482 18.2495 178.6381 56 A 4.0627 7.4593 115.8681 53.3257 19.0491 177.0279 57 Y 4.1373 7.8493 113.6206 57.7703 40.0743 176.0270 58 V 4.7772 6.9870 111.3331 59.1944 34.6772 175.1364 59 K 4.6330 8.7972 124.5018 54.2819 35.1640 175.3600 60 K 4.4523 8.7436 125.8788 56.3718 32.4283 176.4470 61 L 4.6158 8.2723 125.0104 54.3976 42.4802 176.6163 62 D 4.4359 7.8752 124.5081 54.4255 41.5345 175.2957 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 1 M 8.29 4.48 0.00 2.13 2.22 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 2.46 2.53 0.00 2 D 7.97 4.25 0.00 2.82 2.75 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 3 E 8.55 4.59 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 4 T 8.67 4.18 4.21 0.00 0.00 0.00 0.00 0.00 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 5 G 7.53 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 0.00 0.00 0.00 0.00 6 K 8.02 4.30 0.00 1.76 1.47 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.48 7.81 7 E 9.42 3.70 0.00 2.10 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 2.33 2.25 0.00 8 L 8.74 3.93 0.00 1.81 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.63 4.91 2.19 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 1.00 0.00 0.00 1.03 0.00 0.00 10 L 8.86 5.03 0.00 1.71 1.51 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.63 4.32 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.35 3.97 0.00 0.45 1.26 0.56 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.31 5.15 0.00 2.50 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 14 D 8.77 4.97 0.00 2.76 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 15 Y 9.49 4.89 0.00 3.23 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.27 4.74 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 17 E 8.09 4.17 0.00 2.39 2.30 0.00 0.00 0.00 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 2.28 0.00 18 K 9.71 4.35 0.00 1.81 1.94 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.87 1.38 7.81 19 S 7.57 4.69 0.00 3.75 3.89 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 20 P 0.00 4.35 0.00 2.19 2.22 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 21 A 7.89 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 5.63 0.00 2.11 2.23 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 2.51 1.97 0.00 23 V 8.26 4.83 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 1.03 0.00 0.00 1.05 0.00 0.00 24 T 8.76 4.73 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 1.28 0.00 0.00 25 M 9.30 4.98 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 26 K 8.53 5.05 0.00 1.86 1.79 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.39 7.81 27 K 8.76 4.14 0.00 2.07 2.00 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 G 9.03 4.11 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 29 D 7.83 4.62 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 4.66 1.88 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 1.35 0.81 0.92 0.00 0.00 31 L 9.10 4.77 0.00 1.58 1.74 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.09 4.59 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 1.20 0.00 0.00 33 L 8.50 4.60 0.00 1.71 1.52 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.04 4.59 0.00 1.50 1.64 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.74 4.77 0.00 2.81 2.66 0.00 0.00 7.02 8.13 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 36 S 8.28 2.84 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 4.12 4.18 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 1.27 0.00 0.00 38 N 7.45 4.88 0.00 2.83 3.12 0.00 0.00 7.65 6.89 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 39 K 8.78 4.30 0.00 1.95 1.99 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 40 D 7.81 4.59 0.00 2.50 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 41 W 9.15 4.98 0.00 2.77 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 42 W 9.36 5.21 0.00 3.34 3.19 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 43 K 8.85 5.08 0.00 1.78 1.66 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 0.74 7.81 44 V 8.94 5.04 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 0.77 0.00 0.00 1.02 0.00 0.00 45 E 8.97 5.04 0.00 2.01 1.78 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 2.20 2.21 0.00 46 V 8.29 4.12 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 1.05 0.00 0.00 0.99 0.00 0.00 47 N 9.61 4.38 0.00 3.00 2.78 0.00 0.00 5.91 8.09 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 48 D 8.34 4.62 0.00 2.72 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 49 R 8.87 4.58 0.00 1.85 1.84 0.00 3.06 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 50 Q 8.25 5.22 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 51 G 8.27 3.74 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 0.00 0.00 0.00 52 F 9.36 5.91 0.00 2.98 3.28 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 0.00 53 V 9.46 5.04 1.85 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 0.96 0.00 0.00 1.03 0.00 0.00 54 P 0.00 3.79 0.00 1.50 1.31 0.00 2.63 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 0.00 55 A 7.93 2.58 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.46 4.06 1.28 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 0.00 0.00 0.00 57 Y 7.85 4.14 0.00 2.80 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 58 V 6.99 4.78 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 0.65 0.00 0.00 0.95 0.00 0.00 59 K 8.80 4.63 0.00 1.67 1.58 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 60 K 8.74 4.45 0.00 1.74 1.80 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.55 7.81 61 L 8.27 4.62 0.00 1.71 1.67 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.88 4.44 0.00 2.85 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00