NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.4525 8.4449 120.3659 56.2646 31.0063 171.9067 3 Y 4.8940 8.0817 119.3874 55.4507 39.9912 172.7791 4 E 4.1786 9.4002 122.5144 56.5317 31.1388 176.2373 5 E 4.5980 8.4496 120.9867 55.2811 33.0946 174.7260 6 G 3.7421 8.8282 106.2552 43.3091 0.0000 171.3578 7 P 4.2618 0.0000 0.0000 64.2760 31.3348 177.4259 8 G 3.8296 8.8770 110.5837 45.6183 0.0000 173.6366 9 K 4.3966 7.8436 117.4533 55.9671 33.4432 176.2534 10 N 4.9373 7.8108 116.5289 52.1861 37.8584 174.3449 11 I 4.4910 7.1161 110.1341 59.7037 40.7145 172.5966 12 P 4.5927 0.0000 0.0000 62.4399 31.4016 175.1974 13 F 4.9828 6.9211 112.5855 55.0804 40.8663 174.0816 14 S 4.4899 8.5352 115.8168 57.7730 63.0364 174.2399 15 V 4.4998 7.8925 119.5954 61.0604 32.3476 176.8430 16 E 4.0173 8.1839 123.7810 58.4439 29.8435 177.2186 17 N 4.9259 7.8278 116.5278 50.7396 42.2346 174.8723 18 K 3.8291 8.4530 127.3423 58.9777 32.7723 178.7619 19 W 4.4353 7.7573 119.7427 58.7783 29.5500 178.1980 20 R 3.9745 8.7180 119.1653 59.3208 29.5069 178.3834 21 L 3.9315 8.1231 120.2355 58.0090 42.0561 178.4688 22 L 3.9660 8.2331 120.4371 58.2603 41.9433 178.9599 23 A 4.0281 8.1666 120.5213 55.4230 18.3585 179.4450 24 M 3.9970 8.3219 117.5195 58.9967 31.9937 179.0372 25 M 3.9910 8.6457 119.0219 58.4409 32.0619 179.0258 26 T 3.9921 8.2456 116.1605 66.7815 68.7034 176.7817 27 L 4.0441 8.1425 120.8974 57.6592 41.2156 179.2660 28 F 4.0532 8.2694 120.8493 61.3986 39.4001 177.3960 29 F 4.2369 8.7108 117.9261 60.3951 38.7168 178.1400 30 G 3.8245 8.5815 105.7340 47.5149 0.0000 175.9956 31 S 4.2558 8.1786 116.9163 61.4134 62.8741 176.9132 32 G 3.5473 7.5130 108.1865 47.3144 0.0000 175.2372 33 F 4.4357 8.3158 122.0212 61.0981 39.8769 176.9062 34 A 4.4542 8.8196 120.7032 54.8389 18.1012 179.2938 35 A 4.0505 7.9805 119.1834 55.2419 18.4044 178.0709 36 P 4.0774 0.0000 0.0000 65.6897 31.3196 178.8549 37 F 3.8361 7.8090 116.0913 60.5327 38.7873 177.5909 38 F 4.0612 8.4366 117.2302 60.2474 38.6175 177.8608 39 I 3.7323 8.0960 119.7762 64.3905 36.8835 178.3287 40 V 3.5252 7.9335 119.3334 66.1722 31.2605 178.0334 41 R 3.8248 7.9675 118.1640 59.5445 29.6928 177.7048 42 H 4.1382 8.2917 117.2382 59.7172 29.7038 176.9146 43 Q 4.0572 8.2883 119.6506 58.8664 28.1833 178.6813 44 L 4.0085 8.3288 120.5430 57.5874 41.4575 179.0802 45 L 4.0110 7.8251 117.0100 56.4386 41.7921 178.9366 46 K 4.1154 7.5907 117.8144 56.6126 32.0751 176.7600 47 K 3.9443 7.0298 124.1061 56.9861 34.2125 173.7764 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 2 H 8.44 4.45 0.00 3.04 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.08 4.89 0.00 3.07 2.67 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 0.00 0.00 0.00 0.00 4 E 9.40 4.18 0.00 1.93 1.85 0.00 0.00 0.00 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 2.26 0.00 5 E 8.45 4.60 0.00 1.86 1.78 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 0.00 2.16 2.18 0.00 6 G 8.83 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 7 P 0.00 4.26 0.00 2.01 2.00 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 8 G 8.88 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.84 4.40 0.00 1.73 1.77 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 10 N 7.81 4.94 0.00 2.74 2.81 0.00 0.00 5.84 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 11 I 7.12 4.49 0.63 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.28 0.59 0.00 0.00 12 P 0.00 4.59 0.00 2.21 2.14 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 13 F 6.92 4.98 0.00 3.04 2.84 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 14 S 8.54 4.49 0.00 3.84 3.81 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 15 V 7.89 4.50 2.08 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 0.85 0.00 0.00 0.86 0.00 0.00 16 E 8.18 4.02 0.00 1.91 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 2.32 2.29 0.00 17 N 7.83 4.93 0.00 2.76 2.62 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.45 3.83 0.00 1.51 1.72 0.00 0.99 0.00 0.00 1.22 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.75 0.21 7.81 19 W 7.76 4.44 0.00 3.63 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 3.97 0.00 1.92 2.08 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 21 L 8.12 3.93 0.00 1.87 1.71 1.08 0.38 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 L 8.23 3.97 0.00 1.90 1.98 0.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.17 4.03 1.39 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 0.00 0.00 24 M 8.32 4.00 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 25 M 8.65 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.36 0.00 26 T 8.25 3.99 4.69 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 L 8.14 4.04 0.00 1.87 1.74 0.94 0.87 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 28 F 8.27 4.05 0.00 2.90 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 29 F 8.71 4.24 0.00 3.30 3.04 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 0.00 0.00 0.00 30 G 8.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.26 0.00 4.04 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 32 G 7.51 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.32 4.44 0.00 3.11 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 34 A 8.82 4.45 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.98 4.05 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 36 P 0.00 4.08 0.00 1.59 1.82 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 37 F 7.81 3.84 0.00 3.25 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.44 4.06 0.00 3.38 3.18 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 0.00 39 I 8.10 3.73 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.91 0.00 0.00 40 V 7.93 3.53 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 1.01 0.00 0.00 0.82 0.00 0.00 41 R 7.97 3.82 0.00 1.80 2.05 0.00 3.02 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 H 8.29 4.14 0.00 3.22 3.61 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.29 4.06 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 44 L 8.33 4.01 0.00 1.80 1.69 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.83 4.01 0.00 1.82 1.72 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.59 4.12 0.00 1.87 1.82 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 47 K 7.03 3.94 0.00 1.68 1.73 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.10 7.81