NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.9720 8.3549 109.7338 45.8036 0.0000 175.3197 20 S 3.9747 8.1771 116.2663 59.0126 63.0293 169.5261 21 V 4.2009 8.2316 120.6880 59.9939 33.4273 172.7861 22 P 4.3548 0.0000 0.0000 63.1007 33.0382 174.7252 23 V 4.4982 8.3428 120.3037 61.3266 33.5083 174.1898 24 I 4.9074 8.7114 129.2726 59.3949 39.9159 174.2145 25 L 5.0851 8.8357 129.1334 53.3727 44.4588 174.5706 26 E 5.2213 9.5665 126.8895 54.6152 32.1555 175.2804 27 V 4.3016 8.9589 125.4285 62.4156 32.0617 176.2699 28 A 4.5237 8.2155 130.8686 52.8773 21.2346 176.7026 29 G 3.8872 6.6136 106.4382 46.4356 0.0000 176.7243 30 I 4.0260 8.7297 131.9743 60.4233 36.6497 175.4948 31 G 3.9826 8.5322 113.4479 44.9399 0.0000 171.4435 32 K 4.4986 7.0082 119.5079 54.8395 34.3964 175.0332 33 Y 5.3623 8.7905 120.8961 56.3108 42.9617 173.9368 34 A 5.3856 9.2806 122.9891 50.1733 22.7008 175.2397 35 I 5.0456 8.9993 114.4172 59.1393 41.3108 174.1335 36 S 5.0307 9.5496 121.3328 56.7566 64.5203 172.6816 37 I 4.4090 9.2171 130.0103 59.2265 39.1605 176.4417 38 G 3.9935 9.1453 118.9805 46.3903 0.0000 172.6920 39 G 4.0042 8.4523 106.8821 44.6477 0.0000 173.5836 40 E 4.3393 8.1906 121.6852 55.2894 30.9035 175.1249 41 R 5.0608 8.5951 127.2330 54.7766 32.2139 174.8374 42 Q 4.7551 9.4188 125.3710 54.2045 31.4789 174.5739 43 E 4.8052 8.8627 122.6073 55.0477 33.1459 175.7486 44 G 3.8429 8.7787 107.7397 46.5041 0.0000 173.7284 45 L 4.4315 7.8019 119.3356 53.8183 42.8518 176.9645 46 T 4.8115 8.1273 112.6436 60.5074 71.8348 175.8897 47 E 3.7684 8.6579 119.4937 59.6026 29.7699 178.7547 48 E 3.9001 8.1168 120.0361 59.0752 29.8318 178.3123 49 M 4.0981 8.1924 118.6361 58.4644 32.2373 178.5890 50 V 3.6798 8.2144 119.8503 64.8899 31.4662 178.6344 51 T 3.7414 7.7920 116.3523 66.3955 68.2737 176.0009 52 Q 3.9431 7.8443 121.0711 59.4346 28.9932 178.8369 53 L 4.0070 7.8343 119.3719 58.0016 41.7263 179.6589 54 S 4.3348 8.3199 115.2502 61.7915 62.7731 177.1339 55 R 3.9969 8.5996 121.0046 59.2990 29.8064 178.8959 56 Q 4.0186 8.3483 119.4919 59.3074 29.0790 178.2036 57 E 4.0941 8.5460 119.7463 59.3762 29.3115 179.0836 58 F 4.8500 8.2710 121.2539 60.7210 39.5008 176.6553 59 D 4.3414 8.1695 117.9222 56.6011 40.7383 178.3064 60 K 4.4365 7.7711 118.0027 57.0899 32.3324 176.2168 61 D 4.5998 8.1338 118.2502 52.4957 42.4380 174.9454 62 N 4.4039 8.6384 122.8858 53.8073 38.6474 175.5426 63 N 5.1114 8.6539 114.9194 53.0335 39.6638 174.4125 64 T 3.9951 8.1928 116.1593 63.1500 68.9811 173.9412 65 L 4.2088 8.5707 129.3989 55.2421 43.2098 175.2755 66 F 5.3340 8.9499 125.0073 55.5445 41.5676 174.8705 67 L 4.9217 8.7683 122.3876 53.9899 44.0697 175.3068 68 V 4.9939 8.6012 120.9206 61.2080 33.9919 174.7449 69 G 4.3121 9.1475 114.1740 44.4588 0.0000 171.4736 70 G 4.7184 8.6445 108.3854 43.8171 0.0000 172.4269 71 A 4.4524 8.3071 123.1426 50.8487 19.5716 179.0408 72 K 3.8663 8.7151 118.3973 59.6917 32.1468 178.5448 73 E 4.1785 8.0378 115.5284 57.1735 29.8793 176.5679 74 V 4.0276 7.5338 120.2271 60.9801 32.5133 173.9566 75 P 4.6107 0.0000 0.0000 62.2990 32.5258 176.6014 76 Y 4.3714 8.6094 120.0987 60.9618 38.7971 177.9922 77 E 3.7293 8.2024 119.2192 59.4745 29.5338 179.0602 78 E 4.0387 7.9870 118.4036 59.2100 29.4962 179.4406 79 V 3.7121 7.7701 117.9873 65.9359 31.5935 177.9417 80 I 3.6368 7.7634 119.5387 64.3213 36.8806 178.3065 81 K 3.8613 7.8782 118.5897 59.4880 31.9960 179.0826 82 A 3.9308 8.0553 120.7166 55.3515 18.3751 179.7184 83 L 3.9424 7.9432 117.4398 57.8330 41.6439 179.2923 84 N 4.2823 8.4898 117.5239 56.6984 38.8653 176.9610 85 L 3.9696 8.0399 120.5452 57.6785 41.6780 179.4874 86 L 3.8260 7.7563 118.8015 57.9528 41.5332 179.0337 87 H 4.0581 8.1838 118.2185 59.0869 29.5632 176.9614 88 L 3.9221 7.8289 120.9696 57.7206 41.9129 177.8530 89 A 4.4651 7.5138 117.5845 50.8261 19.3033 176.9624 90 G 3.7917 7.7606 106.0063 47.6177 0.0000 175.4344 91 I 3.0142 7.7176 120.8614 62.0631 38.5293 176.7719 92 K 3.9010 7.3419 122.6571 57.0523 32.8197 174.7809 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 19 G 8.35 3.97 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 0.00 0.00 0.00 20 S 8.18 3.97 0.00 3.94 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 21 V 8.23 4.20 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 0.76 0.00 0.00 0.91 0.00 0.00 22 P 0.00 4.35 0.00 2.04 2.03 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 23 V 8.34 4.50 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.43 0.00 0.00 24 I 8.71 4.91 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.98 0.00 0.00 25 L 8.84 5.09 0.00 1.80 1.57 0.86 0.72 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 26 E 9.57 5.22 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 27 V 8.96 4.30 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 0.88 0.00 0.00 1.10 0.00 0.00 28 A 8.22 4.52 1.27 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 0.00 0.00 0.00 29 G 6.61 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 0.00 0.00 0.00 30 I 8.73 4.03 1.83 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 1.31 0.93 0.89 0.00 0.00 31 G 8.53 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 32 K 7.01 4.50 0.00 1.52 1.62 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 33 Y 8.79 5.36 0.00 2.94 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 34 A 9.28 5.39 1.23 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 0.00 0.00 0.00 0.00 0.00 35 I 9.00 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.97 0.00 0.00 36 S 9.55 5.03 0.00 3.86 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 37 I 9.22 4.41 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.96 0.00 0.00 38 G 9.15 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 39 G 8.45 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 40 E 8.19 4.34 0.00 2.06 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 2.28 2.25 0.00 41 R 8.60 5.06 0.00 1.85 1.79 0.00 3.34 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 42 Q 9.42 4.76 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 43 E 8.86 4.81 0.00 1.82 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 0.00 2.21 2.28 0.00 44 G 8.78 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 45 L 7.80 4.43 0.00 1.92 1.65 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.13 4.81 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 47 E 8.66 3.77 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 E 8.12 3.90 0.00 2.07 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 2.37 2.36 0.00 49 M 8.19 4.10 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 50 V 8.21 3.68 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 0.58 0.00 0.00 0.90 0.00 0.00 51 T 7.79 3.74 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 1.17 0.00 0.00 52 Q 7.84 3.94 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 53 L 7.83 4.01 0.00 1.94 1.75 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.32 4.33 0.00 4.06 3.80 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 55 R 8.60 4.00 0.00 1.96 2.01 0.00 3.33 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 56 Q 8.35 4.02 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.55 4.09 0.00 2.38 2.21 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 2.39 2.51 0.00 58 F 8.27 4.85 0.00 3.03 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 59 D 8.17 4.34 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.44 0.00 1.86 1.87 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 61 D 8.13 4.60 0.00 2.65 2.56 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 0.00 0.00 0.00 0.00 62 N 8.64 4.40 0.00 2.61 2.60 0.00 0.00 6.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.65 5.11 0.00 2.68 2.81 0.00 0.00 6.95 7.78 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 64 T 8.19 4.00 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 1.11 0.00 0.00 65 L 8.57 4.21 0.00 1.78 1.51 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.95 5.33 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.77 4.92 0.00 1.76 1.72 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.60 4.99 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 0.88 0.00 0.00 0.98 0.00 0.00 69 G 9.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.64 4.72 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 0.00 0.00 0.00 71 A 8.31 4.45 1.24 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 72 K 8.72 3.87 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 73 E 8.04 4.18 0.00 1.95 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 2.31 2.29 0.00 74 V 7.53 4.03 2.26 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 0.77 0.00 0.00 0.98 0.00 0.00 75 P 0.00 4.61 0.00 2.28 2.17 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 76 Y 8.61 4.37 0.00 3.00 2.99 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 77 E 8.20 3.73 0.00 2.01 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 2.26 2.36 0.00 78 E 7.99 4.04 0.00 2.19 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 2.44 2.37 0.00 79 V 7.77 3.71 2.50 0.00 0.00 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 1.15 0.00 0.00 80 I 7.76 3.64 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.15 0.80 0.00 0.00 81 K 7.88 3.86 0.00 1.99 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 A 8.06 3.93 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.94 3.94 0.00 1.85 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.49 4.28 0.00 2.92 2.86 0.00 0.00 7.15 6.25 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 85 L 8.04 3.97 0.00 1.67 1.59 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.76 3.83 0.00 1.77 1.51 0.62 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.18 4.06 0.00 3.20 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.83 3.92 0.00 1.88 1.64 0.90 0.83 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 89 A 7.51 4.47 1.21 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 0.00 0.00 0.00 90 G 7.76 3.79 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 0.00 0.00 0.00 91 I 7.72 3.01 1.49 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 -0.50 0.00 0.00 92 K 7.34 3.90 0.00 1.45 1.54 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.21 7.81