NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1629 8.2549 120.8497 55.0808 31.3722 175.2293 2 P 4.1338 0.0000 0.0000 62.0270 32.1556 175.7133 3 A 4.0350 8.6223 123.8518 55.3254 19.2363 179.8901 4 F 4.2931 8.2431 112.3671 59.9142 37.7275 177.8322 5 C 4.4248 7.3775 116.0284 58.7177 39.9795 174.6068 6 L 4.3146 7.7593 119.3305 53.9176 42.0665 176.6462 7 E 4.1689 7.6520 119.9036 55.3083 30.0382 175.1801 8 P 4.2568 0.0000 0.0000 61.3196 32.3079 174.3451 9 P 3.6088 0.0000 0.0000 62.4150 31.5787 175.3917 10 Y 4.5693 7.7816 120.4856 55.6528 40.3574 175.1016 11 A 4.1850 8.4273 131.7217 53.4176 18.8056 178.4444 12 G 3.8877 6.5830 102.7865 44.3364 0.0000 171.2055 13 P 4.5236 0.0000 0.0000 62.4459 31.4261 176.4816 14 G 3.6783 7.4901 108.6908 45.6999 0.0000 174.4706 15 K 4.1856 8.2705 118.1138 56.3356 32.9095 177.1121 16 A 4.1784 7.6759 122.1170 52.0179 19.9202 177.1735 17 R 4.3963 8.3611 117.4651 54.1385 31.9784 173.8948 18 I 4.5059 8.3975 123.6999 59.0982 40.4768 174.6651 19 I 4.3130 8.4118 128.3988 61.0366 37.9611 175.4079 20 R 4.8736 8.3390 125.1913 54.4359 34.5580 173.7829 21 Y 5.4819 9.3430 116.9182 56.4149 41.7391 175.2229 22 F 5.8118 9.4341 117.6922 55.1969 41.3802 173.4335 23 Y 4.3579 9.8314 122.7714 57.3776 40.0953 173.8331 24 N 4.7396 8.1587 126.7326 51.8694 38.7316 175.1534 25 A 3.8000 8.4256 129.3975 54.5071 19.0125 178.7381 26 A 4.0327 8.1074 117.9106 54.7580 18.5619 178.0920 27 A 4.2432 7.8805 116.3416 51.7233 19.4561 177.3579 28 G 3.8595 8.1065 103.3599 45.1007 0.0000 173.2693 29 A 4.6571 6.8082 118.0413 50.1368 22.7671 176.4047 30 A 4.5686 8.4377 121.1518 51.9798 19.6115 177.0521 31 Q 4.5744 8.8253 121.1496 54.1676 32.8226 174.1697 32 A 4.2383 8.7022 127.6110 51.7778 19.5119 176.3493 33 F 5.0110 9.0752 115.2272 55.4537 42.2861 173.3048 34 V 4.3449 8.4467 119.6321 61.9269 32.4088 174.1932 35 Y 4.8353 8.8455 129.8848 56.0358 41.0564 175.8792 36 G 3.9028 8.0052 111.8764 45.1438 0.0000 175.2811 37 G 3.7546 6.1255 108.5446 44.5759 0.0000 173.4694 38 A 4.6746 6.2897 120.7711 51.4156 22.0672 175.6446 39 R 3.9436 8.9263 118.1710 56.7422 27.3238 176.8335 40 A 4.1149 8.5004 119.2583 52.8516 18.8363 178.1939 41 K 4.4897 8.2645 120.6187 54.4771 34.5616 177.0712 42 R 3.7100 8.3917 118.4234 59.5273 30.1680 177.7441 43 N 5.0488 8.2080 117.7328 51.8073 36.7768 173.7503 44 N 5.1088 7.2800 117.2187 52.8830 41.1388 173.1493 45 F 5.0997 9.7566 125.4999 55.3217 42.3051 176.9686 46 A 4.1381 9.0544 124.4394 54.8421 18.8879 178.3689 47 S 4.5849 7.8597 108.9737 55.8356 67.1499 174.8816 48 A 3.5843 7.3609 124.3522 55.1205 18.0381 179.8701 49 A 3.8188 7.7097 118.7055 55.4684 18.5687 179.4669 50 D 4.2223 8.1640 117.0521 57.3440 40.9009 178.8592 51 A 2.0000 7.5523 121.0801 54.5617 18.2546 179.7605 52 L 3.7845 8.0046 117.5463 57.6739 41.4356 179.5032 53 A 3.8665 7.8102 119.8540 54.9882 18.3289 179.1558 54 A 4.1775 7.4622 117.9367 54.3178 18.8552 177.6165 55 C 4.4197 7.5594 111.1412 56.4646 42.5513 175.3809 56 A 3.6548 7.7308 122.6645 54.6948 18.0781 178.3153 57 A 3.9976 7.5592 117.3987 51.6264 19.1094 177.1785 58 A 4.1404 8.5772 123.7658 52.6440 18.3612 177.4687 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 4.16 0.00 1.93 1.86 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 2 P 0.00 4.13 0.00 1.82 2.07 0.00 3.44 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 2.06 2.17 0.00 3 A 8.62 4.03 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 4 F 8.24 4.29 0.00 3.34 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 5 C 7.38 4.42 0.00 2.90 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 6 L 7.76 4.31 0.00 1.74 1.73 0.94 0.81 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 7 E 7.65 4.17 0.00 2.07 1.89 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 2.38 2.47 0.00 8 P 0.00 4.26 0.00 1.99 1.94 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 9 P 0.00 3.61 0.00 0.91 0.49 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.00 10 Y 7.78 4.57 0.00 2.76 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 11 A 8.43 4.19 1.33 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 0.00 0.00 12 G 6.58 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 13 P 0.00 4.52 0.00 2.17 2.16 0.00 3.93 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 1.94 1.99 0.00 14 G 7.49 3.68 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 0.00 0.00 0.00 15 K 8.27 4.19 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 16 A 7.68 4.18 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.36 4.40 0.00 1.61 1.80 0.00 3.12 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 18 I 8.40 4.51 1.93 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 1.22 0.67 0.96 0.00 0.00 19 I 8.41 4.31 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 1.25 0.41 0.66 0.00 0.00 20 R 8.34 4.87 0.00 0.67 1.86 0.00 3.40 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 21 Y 9.34 5.48 0.00 3.26 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 22 F 9.43 5.81 0.00 3.39 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 23 Y 9.83 4.36 0.00 2.95 2.98 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 24 N 8.16 4.74 0.00 2.27 2.44 0.00 0.00 6.66 8.00 0.00 0.00 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 8.43 3.80 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.88 4.24 1.18 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 0.00 0.00 28 G 8.11 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 A 6.81 4.66 1.11 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 0.00 0.00 30 A 8.44 4.57 1.26 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 0.00 0.00 31 Q 8.83 4.57 0.00 1.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 32 A 8.70 4.24 0.95 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 0.00 0.00 33 F 9.08 5.01 0.00 3.11 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 34 V 8.45 4.34 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.85 4.84 0.00 2.56 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 36 G 8.01 3.90 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 0.00 0.00 0.00 37 G 6.13 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 6.29 4.67 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 39 R 8.93 3.94 0.00 2.28 2.28 0.00 3.46 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 40 A 8.50 4.11 1.14 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 0.00 0.00 41 K 8.26 4.49 0.00 1.75 1.82 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.19 1.25 7.81 42 R 8.39 3.71 0.00 1.70 1.22 0.00 2.79 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 43 N 8.21 5.05 0.00 3.24 2.92 0.00 0.00 6.98 7.28 0.00 0.00 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 7.28 5.11 0.00 2.79 2.68 0.00 0.00 7.09 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 9.76 5.10 0.00 3.34 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 46 A 9.05 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.58 0.00 3.89 3.92 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 0.00 0.00 0.00 48 A 7.36 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.71 3.82 1.25 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 0.00 0.00 0.00 50 D 8.16 4.22 0.00 3.01 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 51 A 7.55 2.00 1.22 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 0.00 0.00 52 L 8.00 3.78 0.00 1.58 1.64 0.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 3.87 1.29 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 0.00 0.00 0.00 54 A 7.46 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.56 4.42 0.00 2.26 1.86 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 56 A 7.73 3.65 1.22 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 0.00 0.00 57 A 7.56 4.00 1.18 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 0.00 0.00 58 A 8.58 4.14 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