NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0828 8.2549 120.8206 55.8310 32.0714 175.6914 2 P 3.5432 0.0000 0.0000 61.8374 31.4142 175.0988 3 D 4.3948 8.6193 124.4807 57.4203 41.4826 178.5187 4 F 4.4389 7.6414 114.1255 59.6232 37.7687 178.0891 5 C 4.6392 8.0204 117.3054 59.5634 40.0222 174.2889 6 L 4.3782 7.4750 117.4552 54.9106 41.6520 176.5546 7 E 4.4985 7.6838 119.1636 54.3317 30.5488 174.7253 8 P 4.4407 0.0000 0.0000 61.7497 31.9556 174.3666 9 P 3.7042 0.0000 0.0000 62.9229 30.9932 175.0722 10 Y 4.5693 8.3245 125.2019 56.6811 39.5471 174.8960 11 T 4.4714 7.5063 124.3582 65.6132 69.2027 174.5589 12 G 3.9264 7.1846 106.7558 43.2256 0.0000 172.1013 13 P 4.2566 0.0000 0.0000 65.2396 31.7895 177.7299 14 C 4.5277 7.7915 116.1957 56.6136 41.3910 172.9199 15 K 4.6241 8.0532 117.0909 55.4422 31.9330 175.1626 16 A 4.3981 8.1776 121.3442 50.7378 21.5572 179.2973 17 R 4.3674 8.1060 118.2405 54.2717 29.9344 172.4799 18 I 4.3200 7.8870 120.6454 58.8182 39.3923 175.0916 19 I 4.1603 8.2064 128.9982 61.3430 37.7271 175.9018 20 R 4.6723 8.4772 124.8153 54.6963 34.9128 173.6744 21 Y 6.3000 8.8814 118.0758 56.3856 40.6295 175.0192 22 F 5.6452 8.9216 115.8781 55.4869 42.2937 172.5965 23 Y 4.2455 9.6828 123.0428 57.3276 40.2177 173.8909 24 N 3.9600 7.8490 126.3418 52.0963 39.1316 174.8224 25 A 4.0221 8.8780 128.7647 56.3153 18.8891 179.2106 26 K 4.4277 7.7095 112.6795 56.3878 32.4072 178.0841 27 A 4.4050 8.4137 118.9315 52.1131 21.8118 178.9692 28 G 3.8601 7.6047 101.7648 46.2132 0.0000 173.6746 29 L 4.6672 8.1356 119.7448 53.0016 44.2185 175.7366 30 C 4.5948 8.4996 119.2855 57.4256 38.2850 173.0526 31 Q 4.7263 9.0003 119.8842 55.3526 32.9493 173.9542 32 T 5.3247 8.6341 109.2921 61.3518 71.2790 173.5990 33 F 4.6939 8.4012 115.4178 56.6475 41.8167 172.7329 34 V 4.2669 7.9092 112.9022 59.9078 33.4529 174.2538 35 Y 4.6910 8.1213 127.5308 55.8573 39.7577 176.4822 36 G 3.7695 8.1095 115.2394 47.1058 0.0000 174.7668 37 G 3.7209 6.7034 106.8900 45.1588 0.0000 173.6147 38 C 5.0307 6.5825 114.9387 54.8815 44.4162 173.4183 39 R 3.9114 8.9680 116.0188 56.7943 27.4787 176.6240 40 A 4.0877 7.4919 118.0723 52.6341 18.5984 178.0906 41 K 4.6094 8.1443 118.0509 54.0814 35.1499 177.6604 42 R 3.0138 8.2639 119.7866 59.0947 30.2330 177.4840 43 N 4.6061 7.0412 117.5614 50.7108 37.2125 173.9785 44 N 4.8151 6.4319 114.1990 53.2740 40.9726 172.6305 45 F 5.0889 9.5343 127.0299 55.8440 42.3633 175.5210 46 K 4.2903 9.1361 120.6676 58.5363 32.9934 177.4767 47 S 5.1446 7.8329 112.2767 56.2579 66.8870 174.5133 48 A 3.3217 7.7065 123.9847 55.2289 17.9424 179.4579 49 E 3.7608 8.0061 116.5447 59.6959 29.3325 178.7683 50 D 4.3739 7.9311 118.5069 57.7967 41.2495 178.2694 51 C 2.0000 7.7065 118.3326 59.3136 41.9472 175.4064 52 M 3.9295 8.2197 119.5708 56.8347 31.3245 177.8965 53 R 3.9872 7.4839 115.6409 56.8505 30.3354 176.7351 54 T 4.5792 7.3878 107.5152 61.4743 69.8559 173.5139 55 C 4.5900 7.5995 116.8135 56.2178 42.4106 174.0527 56 G 4.1620 7.2382 113.7045 45.3801 0.0000 173.5687 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 R 8.25 4.08 0.00 1.69 1.90 0.00 3.31 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 2 P 0.00 3.54 0.00 1.19 0.65 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 3 D 8.62 4.39 0.00 2.73 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 4 F 7.64 4.44 0.00 3.19 3.34 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 5 C 8.02 4.64 0.00 2.92 3.12 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 0.00 0.00 0.00 6 L 7.47 4.38 0.00 1.83 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.68 4.50 0.00 2.17 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 2.38 2.43 0.00 8 P 0.00 4.44 0.00 2.19 2.10 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 9 P 0.00 3.70 0.00 1.27 0.49 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.00 10 Y 8.32 4.57 0.00 2.86 2.96 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 0.00 0.00 0.00 11 T 7.51 4.47 4.10 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 0.00 0.00 0.00 1.11 0.00 0.00 12 G 7.18 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 13 P 0.00 4.26 0.00 2.17 2.20 0.00 3.75 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 1.96 2.02 0.00 14 C 7.79 4.53 0.00 2.80 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 15 K 8.05 4.62 0.00 1.62 1.65 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.32 7.81 16 A 8.18 4.40 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.11 4.37 0.00 1.70 1.73 0.00 3.16 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 18 I 7.89 4.32 1.88 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 1.18 0.61 0.92 0.00 0.00 19 I 8.21 4.16 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.65 0.00 0.00 20 R 8.48 4.67 0.00 1.18 2.19 0.00 3.59 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 21 Y 8.88 6.30 0.00 3.13 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 22 F 8.92 5.65 0.00 3.11 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 23 Y 9.68 4.25 0.00 3.01 2.90 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 24 N 7.85 3.96 0.00 2.39 2.43 0.00 0.00 6.63 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.88 4.02 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 26 K 7.71 4.43 0.00 1.87 1.91 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 27 A 8.41 4.41 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.14 4.67 0.00 1.26 1.45 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.50 4.59 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.00 4.73 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 32 T 8.63 5.32 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 1.25 0.00 0.00 33 F 8.40 4.69 0.00 2.93 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 V 7.91 4.27 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 0.61 0.00 0.00 0.86 0.00 0.00 35 Y 8.12 4.69 0.00 2.65 2.71 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 36 G 8.11 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.70 3.72 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 38 C 6.58 5.03 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.97 3.91 0.00 2.32 2.22 0.00 3.49 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 40 A 7.49 4.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.61 0.00 1.79 1.60 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.54 7.81 42 R 8.26 3.01 0.00 0.88 0.66 0.00 2.56 0.00 0.00 2.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.24 0.00 43 N 7.04 4.61 0.00 3.05 2.88 0.00 0.00 6.96 7.67 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 44 N 6.43 4.82 0.00 2.86 2.76 0.00 0.00 7.12 7.02 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 45 F 9.53 5.09 0.00 3.27 3.10 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 0.00 0.00 0.00 0.00 46 K 9.14 4.29 0.00 1.83 1.95 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 47 S 7.83 5.14 0.00 4.23 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 48 A 7.71 3.32 0.79 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 49 E 8.01 3.76 0.00 2.03 1.95 0.00 0.00 0.00 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 2.42 0.00 50 D 7.93 4.37 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.71 2.00 0.00 2.80 2.96 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 0.00 0.00 0.00 52 M 8.22 3.93 0.00 1.94 2.08 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 2.53 2.61 0.00 53 R 7.48 3.99 0.00 1.94 2.07 0.00 3.01 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 54 T 7.39 4.58 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 1.38 0.00 0.00 55 C 7.60 4.59 0.00 2.72 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 56 G 7.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00