NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7261 8.4093 119.2104 53.3502 39.9174 173.2944 4 K 4.7279 8.4215 123.6835 54.7229 35.7246 174.5265 5 L 4.4603 8.2201 119.5329 53.9069 43.0098 176.2411 6 W 4.7292 8.5960 115.7588 55.9126 30.5037 174.9549 7 R 3.6892 8.6646 113.6809 57.9366 27.0440 178.2599 8 T 4.0810 7.9813 113.5381 66.1918 69.3078 175.3484 9 H 4.0287 8.2627 119.2862 55.9638 30.0829 173.7774 10 P 4.5107 0.0000 0.0000 63.4264 29.1318 176.6898 11 R 4.2731 7.8756 132.9674 56.7737 28.9559 176.2159 12 N 4.7829 7.8261 115.8732 54.9197 40.1301 175.8751 13 Y 4.7725 7.3179 112.2779 57.9211 40.6342 173.1184 14 G 3.5993 9.0677 107.8692 43.8767 0.0000 173.5450 15 K 3.7755 8.6058 117.0494 59.7328 31.9429 177.7090 16 D 4.4782 7.9115 116.0084 55.8132 41.2331 176.3717 17 S 4.7171 8.1837 113.5624 57.9888 63.1983 173.4930 18 K 4.6695 7.6480 118.5130 55.4030 35.4009 175.0883 19 E 4.7472 8.3202 119.3475 55.3832 33.8761 174.3872 20 C 4.4863 8.2997 121.1002 58.7785 31.8118 175.0829 21 R 3.9245 8.3256 127.8235 59.1246 31.4009 177.8226 22 V 3.7861 8.1872 109.2547 62.0511 29.9800 177.0078 23 C 3.7591 9.3939 128.2985 60.4358 29.9303 176.9779 24 G 3.9682 8.1020 106.8020 45.2142 0.0000 173.1845 25 A 4.2401 7.3030 121.7126 52.4427 18.8219 177.7413 26 R 4.5051 7.7878 112.9535 56.0901 30.6292 176.4953 27 Q 3.9976 8.0622 118.4248 56.1581 29.2112 175.7347 28 G 3.7441 7.9164 103.3995 43.0007 0.0000 171.1581 29 L 3.8196 8.3542 128.3219 53.5583 42.2785 175.3449 30 I 4.2755 8.1790 126.3541 60.7977 34.8557 173.4122 31 T 3.9783 8.7511 124.1642 63.4601 68.1944 171.2213 32 K 4.1939 8.2093 124.0148 56.1943 32.6856 175.9562 33 Y 4.5872 8.5448 124.9884 58.4291 41.3018 173.1539 34 E 4.5054 8.3417 121.8027 56.3302 27.6628 175.0894 35 M 4.4886 7.8112 116.2730 53.5316 32.6629 176.3365 36 M 4.3265 8.6266 124.7335 56.0937 32.8153 175.5517 37 T 5.0192 8.1528 119.5039 62.3870 73.5209 173.6804 38 C 5.0694 8.9394 119.5402 56.2775 31.1571 173.8660 39 R 3.8747 8.3580 116.3557 59.8016 28.5807 178.5896 40 R 3.9152 7.9809 118.4082 58.9308 30.2877 178.5916 41 C 4.2486 8.0869 115.4628 62.6527 28.2025 175.7197 42 F 4.0146 8.3946 122.1903 61.6145 38.8354 177.2037 43 R 3.8875 8.0281 116.1361 59.3781 29.8478 178.5610 44 E 4.0445 7.3168 116.1334 59.2692 29.9956 178.6908 45 Q 4.0629 8.0360 116.7219 57.4758 28.8908 178.4315 46 A 3.4853 7.7337 123.4473 54.4193 18.2419 177.9277 47 P 4.3504 0.0000 0.0000 65.9744 31.4486 177.6398 48 H 4.5897 8.2692 115.3986 57.7622 28.9159 176.6564 49 I 3.8947 7.5899 120.7152 63.9642 38.0037 176.1696 50 G 4.0991 8.1632 109.2508 46.4295 0.0000 174.9688 51 F 4.4201 7.4101 114.5030 55.4991 41.2286 175.9468 52 V 3.8708 8.0214 119.4049 60.7367 32.9265 174.9535 53 K 3.9604 7.6921 118.8025 54.0389 34.1365 176.2340 54 Y 3.9105 8.4847 119.8826 57.9620 37.9864 172.5254 55 R 4.1177 7.4166 124.9158 58.0737 30.0309 175.2782 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 3 N 8.41 4.73 0.00 2.72 2.83 0.00 0.00 6.78 5.80 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 4 K 8.42 4.73 0.00 2.36 1.89 0.00 2.28 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.65 7.81 5 L 8.22 4.46 0.00 1.63 1.68 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.60 4.73 0.00 3.66 3.09 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 0.00 0.00 0.00 0.00 7 R 8.66 3.69 0.00 0.98 1.59 0.00 3.18 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 8 T 7.98 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 H 8.26 4.03 0.00 3.08 3.29 0.00 5.94 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 10 P 0.00 4.51 0.00 2.27 2.08 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 11 R 7.88 4.27 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 12 N 7.83 4.78 0.00 2.97 2.98 0.00 0.00 7.04 7.46 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 13 Y 7.32 4.77 0.00 3.09 2.81 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 0.00 0.00 0.00 0.00 14 G 9.07 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.61 3.78 0.00 1.70 1.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 16 D 7.91 4.48 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 17 S 8.18 4.72 0.00 4.08 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 0.00 18 K 7.65 4.67 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.62 7.81 19 E 8.32 4.75 0.00 1.91 1.81 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 0.00 2.38 2.31 0.00 20 C 8.30 4.49 0.00 2.95 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 21 R 8.33 3.92 0.00 1.90 1.99 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 22 V 8.19 3.79 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 0.75 0.00 0.00 0.96 0.00 0.00 23 C 9.39 3.76 0.00 3.10 3.26 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 0.00 24 G 8.10 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 25 A 7.30 4.24 1.40 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 0.00 0.00 0.00 0.00 0.00 26 R 7.79 4.51 0.00 1.84 2.01 0.00 3.07 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 27 Q 8.06 4.00 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 28 G 7.92 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 29 L 8.35 3.82 0.00 1.77 1.57 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.18 4.28 1.87 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 1.38 0.64 0.92 0.00 0.00 31 T 8.75 3.98 4.20 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 1.04 0.00 0.00 32 K 8.21 4.19 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 Y 8.54 4.59 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 34 E 8.34 4.51 0.00 2.18 2.41 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 2.19 2.25 0.00 35 M 7.81 4.49 0.00 2.12 2.14 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 2.44 2.50 0.00 36 M 8.63 4.33 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 37 T 8.15 5.02 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 1.34 0.00 0.00 38 C 8.94 5.07 0.00 3.13 3.07 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 0.00 0.00 0.00 39 R 8.36 3.87 0.00 2.07 2.20 0.00 3.02 0.00 0.00 3.34 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 40 R 7.98 3.92 0.00 1.88 2.07 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 41 C 8.09 4.25 0.00 3.00 3.02 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 0.00 0.00 0.00 0.00 42 F 8.39 4.01 0.00 3.10 3.27 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 43 R 8.03 3.89 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 44 E 7.32 4.04 0.00 2.19 1.94 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 2.30 2.47 0.00 45 Q 8.04 4.06 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 46 A 7.73 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.35 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 48 H 8.27 4.59 0.00 3.19 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 3.89 2.14 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 1.41 0.70 1.10 0.00 0.00 50 G 8.16 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 0.00 0.00 0.00 0.00 51 F 7.41 4.42 0.00 3.07 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 52 V 8.02 3.87 1.55 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 0.73 0.00 0.00 0.76 0.00 0.00 53 K 7.69 3.96 0.00 1.70 1.53 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.32 7.81 54 Y 8.48 3.91 0.00 3.02 3.14 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 55 R 7.42 4.12 0.00 1.91 1.94 0.00 3.31 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00