NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9312 8.1976 109.7302 44.4821 0.0000 174.6644 6 P 3.9451 0.0000 0.0000 64.0227 31.3368 175.1095 7 L 3.8156 6.8741 118.5757 56.1159 43.0470 178.3852 8 G 3.9034 8.9587 114.8217 45.3813 0.0000 173.4956 9 S 4.4705 7.9134 115.3644 57.9117 65.3506 173.1193 10 V 4.7130 8.2081 119.9239 61.2967 33.6809 174.7293 11 V 4.8894 9.2134 120.5683 59.4050 36.2510 174.3716 12 R 4.9765 8.9086 117.7488 53.9744 32.3384 175.0320 13 A 4.0569 8.7788 125.1298 52.1878 18.6690 177.9663 14 K 3.3984 9.4133 125.1027 57.4757 33.0287 176.3706 15 F 5.0525 7.8840 116.0530 55.5044 43.2106 174.2567 16 N 5.0732 9.0836 117.9068 53.6421 39.5753 174.6239 17 F 4.7997 9.5554 124.0510 56.6178 42.9372 172.7645 18 Q 4.4672 7.8954 127.5051 53.6586 30.2150 174.9742 19 Q 4.0639 8.5021 125.7797 57.0018 28.7511 176.9190 20 T 4.4991 10.1218 110.9020 61.5366 70.5301 173.8545 21 N 5.1061 7.7702 118.8719 51.2850 42.5421 175.1401 22 E 4.0627 8.8710 120.1473 58.9795 29.9621 177.6253 23 D 4.9018 8.1634 117.3809 53.1765 39.8410 175.2195 24 E 5.4412 8.0686 118.9949 55.4063 31.8501 175.6105 25 L 4.7191 9.5956 125.8983 53.8511 42.6147 176.3868 26 S 4.4847 8.8673 123.0745 58.6991 63.9299 173.5295 27 F 5.0083 8.7387 116.8382 56.5795 41.5194 172.8251 28 S 5.3840 10.0878 116.3638 56.1039 66.1017 174.0362 29 K 4.0843 9.6728 124.2434 58.6137 32.2441 176.9397 30 G 3.9810 9.2970 115.2392 45.1860 0.0000 173.6934 31 D 4.3875 8.1169 120.7967 54.5011 41.8376 175.8077 32 V 4.3402 8.3581 123.2351 62.2133 32.6915 175.0372 33 I 4.8037 9.1218 129.0663 59.8147 41.0222 174.0679 34 H 5.0286 9.4983 124.3005 54.1562 30.6554 174.4038 35 V 4.5421 8.9965 125.8086 63.0866 31.9021 176.2193 36 T 4.5906 9.1226 118.2612 61.8419 71.1795 174.1219 37 R 4.6246 7.4583 122.4227 55.0111 33.6958 173.3287 38 V 4.4086 8.2812 125.7043 61.0525 33.7173 174.4914 39 E 4.8916 8.7749 126.4413 54.2046 33.3562 175.4561 40 E 4.2697 8.6840 120.1010 57.0206 30.3395 176.8169 41 G 4.0320 9.4060 106.4837 45.3553 0.0000 174.8120 42 G 3.9880 9.1244 107.9376 44.4845 0.0000 173.0647 43 W 5.3443 8.1063 118.9052 54.6684 33.5083 174.2603 44 W 5.5788 8.9504 122.8536 54.9264 33.1746 173.7107 45 E 4.4611 8.3614 121.9570 54.7348 32.1428 175.4493 46 G 4.5710 8.5003 110.5750 46.3729 0.0000 171.8866 47 T 5.3883 8.8276 109.1507 60.4002 72.8066 172.7274 48 H 5.0638 9.2446 122.5014 54.7809 33.1274 172.5842 49 N 4.2843 8.9720 123.9839 54.9364 37.5544 175.4948 50 G 3.9117 8.7767 115.3684 46.7754 0.0000 172.7648 51 R 4.7754 8.3605 120.0517 54.3902 32.5896 175.2350 52 T 5.1259 9.1924 109.1737 59.1870 71.9595 173.4458 53 G 4.3614 8.0084 113.5423 45.0854 0.0000 171.5901 54 W 5.0583 8.8156 120.3857 56.6137 30.5462 175.8944 55 F 4.9933 9.3328 116.9337 54.7951 41.5608 171.6499 56 P 3.5030 0.0000 0.0000 61.9752 31.5680 177.9924 57 S 3.1810 8.6176 120.6050 60.3468 62.8489 175.3106 58 N 4.5146 7.6888 116.3354 53.2888 37.5304 174.8441 59 Y 4.5098 8.2050 116.8148 58.5058 38.5212 174.8904 60 V 4.9537 7.1930 111.6269 59.5855 35.8417 175.0437 61 R 4.7646 8.8479 119.5816 54.3781 34.5872 175.0877 62 E 4.3584 8.8881 121.6996 56.6049 30.4746 177.2231 63 I 3.9592 7.7286 121.5599 61.6412 37.2693 175.8651 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 G 8.20 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 6 P 0.00 3.95 0.00 0.95 2.05 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 7 L 6.87 3.82 0.00 1.47 1.50 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.47 0.00 3.89 4.13 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 10 V 8.21 4.71 2.02 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 0.86 0.00 0.00 0.80 0.00 0.00 11 V 9.21 4.89 2.24 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 1.08 0.00 0.00 1.03 0.00 0.00 12 R 8.91 4.98 0.00 1.66 1.90 0.00 2.71 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 13 A 8.78 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.41 3.40 0.00 1.48 1.50 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.91 7.81 15 F 7.88 5.05 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.08 5.07 0.00 2.75 2.86 0.00 0.00 6.62 7.45 0.00 0.00 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 9.56 4.80 0.00 2.63 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.47 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 19 Q 8.50 4.06 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 20 T 10.12 4.50 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 1.30 0.00 0.00 21 N 7.77 5.11 0.00 2.94 2.71 0.00 0.00 7.14 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 22 E 8.87 4.06 0.00 1.98 2.05 0.00 0.00 0.00 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 2.31 0.00 23 D 8.16 4.90 0.00 3.06 2.98 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 24 E 8.07 5.44 0.00 2.29 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 2.78 2.37 0.00 25 L 9.60 4.72 0.00 2.04 2.13 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.87 4.48 0.00 3.79 3.71 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 0.00 0.00 0.00 0.00 27 F 8.74 5.01 0.00 3.05 3.11 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 28 S 10.09 5.38 0.00 3.76 3.91 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 29 K 9.67 4.08 0.00 1.67 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 30 G 9.30 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 0.00 0.00 0.00 31 D 8.12 4.39 0.00 2.43 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 0.00 0.00 0.00 32 V 8.36 4.34 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 0.72 0.00 0.00 0.90 0.00 0.00 33 I 9.12 4.80 1.53 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.39 0.62 0.00 0.00 34 H 9.50 5.03 0.00 3.12 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.00 4.54 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 0.66 0.00 0.00 1.26 0.00 0.00 36 T 9.12 4.59 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 1.25 0.00 0.00 37 R 7.46 4.62 0.00 1.68 1.26 0.00 3.18 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 38 V 8.28 4.41 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 0.68 0.00 0.00 0.02 0.00 0.00 39 E 8.77 4.89 0.00 2.13 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 2.68 2.70 0.00 40 E 8.68 4.27 0.00 2.13 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 2.32 2.43 0.00 41 G 9.41 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.12 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.11 5.34 0.00 3.29 3.39 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 0.00 44 W 8.95 5.58 0.00 2.32 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 45 E 8.36 4.46 0.00 1.16 1.12 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 0.00 1.77 1.47 0.00 46 G 8.50 4.57 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 0.00 0.00 0.00 47 T 8.83 5.39 4.37 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 0.00 0.00 0.00 1.24 0.00 0.00 48 H 9.24 5.06 0.00 3.12 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.97 4.28 0.00 2.66 2.13 0.00 0.00 7.10 7.65 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 50 G 8.78 3.91 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 0.00 0.00 0.00 51 R 8.36 4.78 0.00 1.93 1.91 0.00 3.14 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 52 T 9.19 5.13 4.27 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 1.24 0.00 0.00 53 G 8.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.82 5.06 0.00 3.42 3.47 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 55 F 9.33 4.99 0.00 2.97 3.37 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 0.00 0.00 0.00 0.00 56 P 0.00 3.50 0.00 1.30 1.04 0.00 2.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 57 S 8.62 3.18 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 58 N 7.69 4.51 0.00 2.79 2.85 0.00 0.00 6.00 7.55 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 59 Y 8.20 4.51 0.00 3.38 3.49 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 60 V 7.19 4.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 1.06 0.00 0.00 61 R 8.85 4.76 0.00 1.58 1.71 0.00 3.27 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 62 E 8.89 4.36 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 63 I 7.73 3.96 1.85 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 1.11 0.56 0.88 0.00 0.00