NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2546 8.2993 121.7987 55.9573 33.3771 176.3492 2 P 4.2614 0.0000 0.0000 60.5433 32.0464 170.5260 3 V 4.2762 7.4461 126.5536 61.3850 35.1698 174.5727 4 S 4.6132 7.7613 111.1674 56.7392 63.3933 176.7296 5 L 4.2660 7.4393 120.1467 53.4159 42.4443 174.3795 6 S 4.3902 6.8015 124.3278 59.3596 69.8330 177.6864 7 Y 4.2536 7.3813 121.9473 59.7637 38.6547 176.6120 8 R 4.2053 6.4687 117.9895 55.6884 30.6392 176.2492 9 C 4.3443 8.5865 115.9077 57.4701 40.4933 172.5707 10 P 4.2409 0.0000 0.0000 65.1118 31.7038 177.5489 11 C 4.5919 7.9478 115.2537 56.5364 41.1642 172.8437 12 R 4.2048 8.5265 119.6481 57.0499 32.3692 175.8946 13 F 5.0602 8.0124 114.1967 55.5162 41.5583 174.4567 14 F 4.8866 9.1174 123.3908 56.0370 41.2645 176.6042 15 E 4.5802 8.7630 127.1908 54.6582 27.8639 176.9215 16 S 4.2482 8.1147 115.7820 61.4000 63.6788 176.6376 17 H 4.3538 8.2611 117.0573 58.1894 28.6393 175.8369 18 V 3.8423 7.6477 118.4477 63.1969 32.1567 174.8675 19 A 4.4420 8.6048 125.2815 50.0751 22.1209 177.4344 20 R 2.5100 5.8400 121.5459 58.8494 29.9559 177.5563 21 A 3.9093 7.3662 119.7457 55.1781 18.5662 178.0092 22 N 4.4714 7.7184 110.6394 53.5372 38.0786 174.9323 23 V 3.9353 6.9669 120.1711 62.7331 32.3199 175.2135 24 K 4.2255 9.2070 129.6187 58.8615 32.7427 175.7196 25 H 4.9737 7.9230 117.2139 54.8833 33.9224 171.0640 26 L 5.1368 7.8412 119.9579 53.0033 44.8009 176.2651 27 K 4.8131 8.8334 120.0583 55.3077 37.0688 175.1503 28 I 4.9649 8.3027 121.3465 59.6092 41.2387 174.9657 29 L 4.6223 8.2936 124.1898 52.9493 44.4328 175.9267 30 N 4.7332 8.9157 123.9183 53.1696 38.4347 174.0323 31 T 4.7436 8.1611 122.2555 61.1098 71.5948 172.9221 32 P 4.4500 0.0000 0.0000 65.8137 32.0105 178.3825 33 N 4.2432 8.2758 115.2080 54.9094 38.6183 174.6988 34 C 5.0724 7.4505 113.4924 54.8790 43.8340 171.9645 35 A 4.3392 8.0720 122.6429 51.3231 20.4706 176.9983 36 L 4.1598 8.2438 117.3113 54.5355 40.6285 176.8328 37 Q 4.4476 8.1928 124.4233 54.7503 29.5232 175.6175 38 I 4.0581 8.4419 126.5168 61.3678 38.4391 176.6111 39 V 4.2591 8.8808 121.0420 60.4565 34.7804 174.1701 40 A 4.7772 8.5201 122.2429 51.8035 23.4887 175.2527 41 R 4.9453 8.5041 117.9224 55.1621 32.9655 174.7927 42 L 4.5500 9.0976 127.4191 54.8594 43.1742 178.1243 43 K 4.1756 9.4405 120.8850 58.7576 32.8262 178.9343 44 N 4.2498 8.1250 116.0273 56.1645 38.8631 175.0302 45 N 4.5901 8.0536 113.1948 52.4987 40.6518 174.1675 46 N 4.2935 7.8782 112.5093 52.8571 35.9726 172.4969 47 R 4.6377 7.0972 116.1089 55.4092 35.7557 175.2607 48 Q 4.9827 8.4878 121.6092 55.6019 30.2707 174.9759 49 V 4.5550 8.8324 118.0522 60.1534 37.1130 173.0885 50 C 4.6761 8.3886 120.1165 56.0697 41.1126 173.3847 51 I 4.6096 7.8140 125.4090 60.3727 37.8233 175.5523 52 D 4.7926 8.7161 124.3713 53.4082 41.8564 175.6078 53 P 4.2933 0.0000 0.0000 64.8558 31.8027 176.9699 54 K 4.3487 7.7590 117.0912 56.2402 32.3484 177.1319 55 L 4.2061 7.1965 119.6075 54.5190 43.1655 178.3064 56 K 4.0599 8.4957 120.7240 59.1594 32.3553 179.2806 57 W 4.5741 8.1196 116.1997 58.8264 28.5639 178.1929 58 I 3.6047 6.6301 119.7901 63.0357 36.4964 177.8412 59 Q 3.5913 7.8423 118.9965 59.0587 28.5057 178.2764 60 E 4.0519 8.1016 120.1181 58.9348 29.6356 178.3068 61 Y 4.2130 7.7370 119.8331 60.8086 38.9666 177.7321 62 L 2.9277 8.3454 121.9182 57.5170 41.8803 178.6266 63 E 3.8292 7.7387 119.9839 59.0193 29.4392 178.7131 64 K 4.1605 7.7242 116.6561 59.3313 33.1162 178.5932 65 A 4.0977 8.3827 122.3782 54.9763 18.2556 178.9447 66 L 3.9507 7.6805 118.3692 57.4450 42.3708 176.5435 67 N 4.5076 7.8746 120.5798 53.3630 38.6546 175.1688 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 K 8.30 4.25 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 2 P 0.00 4.26 0.00 2.28 1.98 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 3 V 7.45 4.28 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 0.70 0.00 0.00 0.94 0.00 0.00 4 S 7.76 4.61 0.00 3.79 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 5 L 7.44 4.27 0.00 1.55 1.48 0.89 0.81 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 6 S 6.80 4.39 0.00 3.70 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 7 Y 7.38 4.25 0.00 3.08 3.15 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 8 R 6.47 4.21 0.00 1.55 1.86 0.00 3.12 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.50 0.00 9 C 8.59 4.34 0.00 2.94 3.05 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 0.00 0.00 0.00 0.00 10 P 0.00 4.24 0.00 2.17 2.16 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 11 C 7.95 4.59 0.00 3.13 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 12 R 8.53 4.20 0.00 1.34 1.18 0.00 3.20 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 13 F 8.01 5.06 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 14 F 9.12 4.89 0.00 2.96 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 15 E 8.76 4.58 0.00 2.05 1.97 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 2.32 2.41 0.00 16 S 8.11 4.25 0.00 4.01 4.07 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 17 H 8.26 4.35 0.00 3.23 3.45 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.65 3.84 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 0.84 0.00 0.00 1.05 0.00 0.00 19 A 8.60 4.44 1.12 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 0.00 0.00 20 R 5.84 2.51 0.00 0.68 1.50 0.00 3.44 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 0.00 21 A 7.37 3.91 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 22 N 7.72 4.47 0.00 2.83 3.00 0.00 0.00 5.71 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 23 V 6.97 3.94 1.80 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 0.89 0.00 0.00 0.62 0.00 0.00 24 K 9.21 4.23 0.00 1.75 1.84 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.35 7.81 25 H 7.92 4.97 0.00 3.22 3.11 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.84 5.14 0.00 1.32 1.46 0.43 0.98 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 27 K 8.83 4.81 0.00 1.70 1.66 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 28 I 8.30 4.96 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 0.99 0.00 0.00 29 L 8.29 4.62 0.00 1.52 1.57 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.92 4.73 0.00 2.70 2.77 0.00 0.00 7.06 7.71 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 31 T 8.16 4.74 4.27 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 1.28 0.00 0.00 32 P 0.00 4.45 0.00 2.22 2.30 0.00 3.75 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 2.00 0.00 33 N 8.28 4.24 0.00 3.04 3.10 0.00 0.00 6.74 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 34 C 7.45 5.07 0.00 2.81 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 35 A 8.07 4.34 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 36 L 8.24 4.16 0.00 1.65 1.68 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.19 4.45 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 38 I 8.44 4.06 1.95 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 1.39 0.86 1.04 0.00 0.00 39 V 8.88 4.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 40 A 8.52 4.78 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 41 R 8.50 4.95 0.00 1.91 1.77 0.00 3.24 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 42 L 9.10 4.55 0.00 1.62 1.55 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.44 4.18 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 44 N 8.13 4.25 0.00 2.65 2.86 0.00 0.00 6.84 7.77 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 45 N 8.05 4.59 0.00 2.73 2.83 0.00 0.00 6.95 8.01 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 46 N 7.88 4.29 0.00 2.86 2.88 0.00 0.00 6.75 7.79 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 47 R 7.10 4.64 0.00 1.72 1.77 0.00 3.10 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 48 Q 8.49 4.98 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 49 V 8.83 4.55 2.07 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 0.59 0.00 0.00 0.96 0.00 0.00 50 C 8.39 4.68 0.00 1.69 1.41 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 0.00 51 I 7.81 4.61 1.91 0.00 0.00 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 1.29 0.57 0.97 0.00 0.00 52 D 8.72 4.79 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.29 0.00 2.15 2.12 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 54 K 7.76 4.35 0.00 1.71 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 L 7.20 4.21 0.00 1.53 1.12 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.50 4.06 0.00 1.86 1.97 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 57 W 8.12 4.57 0.00 3.70 3.35 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 0.00 0.00 0.00 0.00 58 I 6.63 3.60 1.25 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.79 0.00 0.00 59 Q 7.84 3.59 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 60 E 8.10 4.05 0.00 2.26 2.12 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 2.43 2.40 0.00 61 Y 7.74 4.21 0.00 3.06 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 62 L 8.35 2.93 0.00 1.66 1.47 0.79 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.74 3.83 0.00 2.19 2.07 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 2.29 2.28 0.00 64 K 7.72 4.16 0.00 2.00 1.95 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.86 7.81 65 A 8.38 4.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.68 3.95 0.00 1.64 1.57 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.87 4.51 0.00 2.79 2.68 0.00 0.00 7.01 7.43 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