NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.3142 8.0427 120.6284 54.9964 44.0345 178.6617 16 R 3.8961 7.7813 118.2594 58.8185 30.2958 174.6980 17 E 4.3615 8.9173 116.6119 57.7020 31.0469 178.0059 18 R 4.1458 7.7559 118.5581 58.2878 30.6344 178.4637 19 Q 3.9359 7.8307 117.3242 59.2414 28.0686 178.7485 20 V 3.4474 7.4589 120.6005 65.5289 31.7991 177.7196 21 L 4.4028 7.6901 119.6806 57.6015 41.5100 179.2489 22 K 3.9934 7.4605 118.0371 59.5034 32.4078 178.8689 23 L 4.2619 7.9734 120.1167 58.6902 40.4234 178.9345 24 I 3.8144 9.1623 119.9813 64.0301 37.9426 177.1952 25 D 4.4826 8.0341 118.3391 57.3189 40.7253 177.1711 26 E 4.4145 7.7185 116.6485 55.0888 29.7830 175.0604 27 G 3.9971 8.1541 111.4110 45.5631 0.0000 174.2531 28 Y 5.6164 8.1896 132.6864 57.9085 40.3176 172.9156 29 T 3.7715 8.4744 116.4578 66.8679 68.3760 174.3607 30 N 4.9465 9.2919 121.6129 55.0409 43.9892 175.9753 31 H 3.9965 8.6984 117.0464 59.5927 29.5787 177.1958 32 G 3.8353 8.1984 106.7463 47.9093 0.0000 175.6850 33 I 3.5364 7.8986 122.0959 64.0679 37.0538 178.5310 34 S 4.6726 8.9840 117.2917 60.7601 62.6144 176.0814 35 E 4.1387 7.8211 121.1762 57.8368 29.4363 178.2506 36 K 4.2000 7.8693 119.2268 58.8531 32.7093 178.4049 37 L 4.0046 8.6865 118.5286 55.8239 42.4548 176.8897 38 H 5.0426 6.9473 121.9290 54.7506 32.2459 173.7213 39 I 3.8118 7.7682 117.4431 61.7370 36.5424 176.3949 40 S 4.6044 7.9891 125.4136 55.7054 63.0614 176.7657 41 I 3.7467 8.0068 122.3389 64.2900 37.3568 177.7201 42 K 4.0535 7.9090 120.0975 59.8406 32.1458 178.3129 43 T 3.8468 8.0170 112.8940 65.4730 66.4427 175.7515 44 V 3.5868 7.8976 119.9325 65.9060 31.4473 177.2793 45 E 4.2441 8.1703 119.1018 60.1040 29.1578 179.2099 46 T 3.9670 7.8844 115.1967 66.4856 68.3187 176.4882 47 H 4.2580 8.0150 117.3813 58.7298 28.7603 177.6063 48 R 3.7917 9.1401 121.5819 59.2515 29.9036 178.8434 49 M 4.0206 7.7297 118.1017 58.5424 31.9743 178.6532 50 N 4.3146 7.7812 116.6253 56.4272 38.5758 176.9213 51 M 3.9664 8.9957 120.6007 59.2383 32.1488 178.3019 52 M 4.1044 8.0280 118.5611 58.2315 31.9939 178.2700 53 R 4.2071 7.7159 115.3237 57.1444 30.3016 178.3387 54 K 4.2108 7.5106 118.8001 58.6960 32.7358 178.3777 55 L 4.3700 7.5187 117.8591 55.1385 41.9322 174.1295 56 Q 3.7097 8.5107 121.3838 55.6576 27.0945 173.2281 57 V 4.2967 7.9434 120.9297 62.7116 30.7359 174.6930 58 H 4.7364 8.5958 115.7147 54.2597 38.5500 172.7697 59 K 4.7002 7.5388 116.9246 53.6995 37.1299 177.0221 60 V 3.3615 8.3058 120.3537 66.4015 31.0425 178.0085 61 T 3.8570 7.8226 114.7617 66.7187 68.2343 176.2897 62 E 3.9693 8.0310 118.4790 59.4833 29.9446 178.8384 63 L 4.0878 8.8899 121.5303 57.8252 42.0773 178.4680 64 L 3.9824 8.3768 120.8423 58.5515 41.4384 178.9230 65 N 4.4383 8.0546 116.1658 56.1123 38.1670 177.1124 66 C 4.1565 7.8423 117.4884 63.0258 28.3894 175.7931 67 A 4.1369 7.9079 120.1335 54.9590 18.0540 179.2513 68 R 4.5287 7.6726 117.8553 58.8101 30.6973 178.3450 69 R 3.8714 9.3817 116.3043 57.3489 28.9338 176.0629 70 M 4.5965 7.9186 114.1721 56.8416 37.2933 174.5013 71 R 3.9411 8.0059 113.1700 57.5807 26.8731 174.6229 72 L 4.3587 7.6892 119.5164 56.7858 44.9488 176.1689 73 I 3.1861 7.6647 114.8287 62.7101 33.6643 172.0219 74 E 4.3997 7.7558 120.7656 57.7808 32.0057 174.6392 75 Y 4.5501 8.0798 122.7680 58.0445 38.6763 176.0876 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 15 L 8.04 4.31 0.00 1.69 1.76 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.78 3.90 0.00 1.92 1.92 0.00 3.16 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 17 E 8.92 4.36 0.00 2.13 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 2.49 2.45 0.00 18 R 7.76 4.15 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 19 Q 7.83 3.94 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 20 V 7.46 3.45 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 0.94 0.00 0.00 0.80 0.00 0.00 21 L 7.69 4.40 0.00 1.96 1.71 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.46 3.99 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 23 L 7.97 4.26 0.00 1.66 1.78 0.50 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.16 3.81 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 1.01 0.00 0.00 25 D 8.03 4.48 0.00 2.95 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 26 E 7.72 4.41 0.00 2.18 2.07 0.00 0.00 0.00 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 2.35 0.00 27 G 8.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 5.62 0.00 3.21 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 29 T 8.47 3.77 4.30 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 1.25 0.00 0.00 30 N 9.29 4.95 0.00 2.79 2.78 0.00 0.00 6.45 8.19 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 31 H 8.70 4.00 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.20 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 0.00 0.00 0.00 0.00 33 I 7.90 3.54 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.06 0.80 0.00 0.00 34 S 8.98 4.67 0.00 4.15 4.22 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 0.00 0.00 0.00 0.00 35 E 7.82 4.14 0.00 2.23 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 0.00 2.40 2.53 0.00 36 K 7.87 4.20 0.00 1.72 1.63 0.00 0.92 0.00 0.00 1.33 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.38 7.81 37 L 8.69 4.00 0.00 1.61 1.63 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 H 6.95 5.04 0.00 3.23 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.77 3.81 1.86 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 0.48 0.91 0.00 0.00 40 S 7.99 4.60 0.00 3.90 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 41 I 8.01 3.75 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.90 0.00 0.00 42 K 7.91 4.05 0.00 1.82 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 43 T 8.02 3.85 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 1.26 0.00 0.00 44 V 7.90 3.59 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 1.12 0.00 0.00 0.85 0.00 0.00 45 E 8.17 4.24 0.00 2.32 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 2.33 2.39 0.00 46 T 7.88 3.97 4.47 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 1.22 0.00 0.00 47 H 8.01 4.26 0.00 3.43 3.53 0.00 5.29 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.14 3.79 0.00 2.02 2.01 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 49 M 7.73 4.02 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 50 N 7.78 4.31 0.00 2.81 2.99 0.00 0.00 6.91 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 51 M 9.00 3.97 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 52 M 8.03 4.10 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 53 R 7.72 4.21 0.00 1.91 1.96 0.00 3.14 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 54 K 7.51 4.21 0.00 1.97 1.84 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 55 L 7.52 4.37 0.00 1.76 1.79 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.51 3.71 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 57 V 7.94 4.30 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 0.82 0.00 0.00 0.94 0.00 0.00 58 H 8.60 4.74 0.00 3.12 3.07 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.54 4.70 0.00 1.83 1.61 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 60 V 8.31 3.36 2.10 0.00 0.00 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 0.94 0.00 0.00 61 T 7.82 3.86 4.25 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 1.22 0.00 0.00 62 E 8.03 3.97 0.00 1.96 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 2.31 2.31 0.00 63 L 8.89 4.09 0.00 1.61 1.94 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.38 3.98 0.00 1.80 1.92 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.05 4.44 0.00 2.89 2.86 0.00 0.00 7.05 7.81 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 66 C 7.84 4.16 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.91 4.14 1.36 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 68 R 7.67 4.53 0.00 2.00 2.13 0.00 3.28 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 69 R 9.38 3.87 0.00 1.99 1.99 0.00 3.29 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 70 M 7.92 4.60 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 71 R 8.01 3.94 0.00 2.02 2.00 0.00 3.22 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 72 L 7.69 4.36 0.00 1.56 1.66 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.66 3.19 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 1.32 0.55 0.91 0.00 0.00 74 E 7.76 4.40 0.00 1.93 1.97 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 2.21 2.27 0.00 75 Y 8.08 4.55 0.00 2.85 2.89 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