NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9312 8.1293 121.6792 57.9567 38.5806 174.0262 2 D 4.2733 8.3480 123.2609 51.6418 39.9642 176.3565 3 G 3.8503 8.6246 108.4643 46.2955 0.0000 175.4083 4 Q 4.2901 8.5196 117.5000 55.5457 29.1497 175.3298 5 N 4.7377 7.9239 117.3561 51.9943 38.7975 173.3952 6 C 5.0152 8.3664 122.5145 54.8215 41.9321 174.8142 7 K 3.9648 8.3952 124.5330 59.2666 32.8523 176.7533 8 E 4.7015 7.7279 115.3028 54.1580 31.8849 172.5489 9 P 4.2998 0.0000 0.0000 64.4916 31.5644 177.1667 10 G 3.9463 9.1611 110.8172 45.5849 0.0000 173.1370 11 N 4.8815 8.3601 118.3879 51.7150 39.1140 173.2349 12 C 5.0591 8.4871 117.4697 55.6181 41.5776 174.3566 13 W 4.3853 7.5984 127.2988 57.6063 30.8146 175.0727 14 E 3.8284 5.9000 122.3009 53.7293 32.9543 175.0889 15 N 3.7172 7.2311 119.5506 52.0904 38.4131 175.2815 16 K 4.1556 8.1176 120.2541 55.0465 32.9870 174.6992 17 P 4.4169 0.0000 0.0000 64.8903 31.1419 176.7281 18 G 3.8811 9.2745 111.3939 45.0920 0.0000 172.1955 19 Y 4.8390 7.6522 116.6276 55.0371 40.6907 173.9389 20 P 4.6424 0.0000 0.0000 62.6570 32.3268 176.5724 21 E 4.3758 8.8373 119.6271 58.5784 29.8144 177.7366 22 K 4.7096 7.8465 116.7329 54.4817 35.5299 176.1772 23 I 4.0823 8.3429 115.5622 62.0215 38.4841 175.7081 24 A 4.2291 7.8767 125.0060 53.6609 18.3826 177.6867 25 G 3.9060 9.7558 112.5403 45.2716 0.0000 173.2683 26 S 4.6425 7.9108 115.3072 56.1015 65.0489 174.8816 27 K 4.0556 8.2103 118.1195 58.6450 32.2913 176.9895 28 Y 4.7822 7.4323 116.6348 57.6781 38.2096 175.0028 29 D 4.4801 7.8656 121.3312 53.8542 41.2966 174.7849 30 P 4.2350 0.0000 0.0000 63.6472 32.0584 176.1730 31 K 3.7827 8.3326 118.4323 57.4794 30.1105 175.0190 32 H 4.3795 7.7778 113.8205 55.7853 29.8330 175.7165 33 D 4.6155 8.5539 122.3252 52.8533 42.2559 175.0733 34 P 4.2235 0.0000 0.0000 65.9495 31.6577 178.4064 35 V 3.7194 7.8094 116.1630 66.0189 31.6386 177.4109 36 E 3.9413 8.4864 119.0254 59.3593 29.2329 178.8004 37 L 4.0418 7.9672 118.1941 57.4692 41.9402 178.2713 38 N 4.7038 7.7835 114.1971 53.4624 38.5922 177.0815 39 K 3.9733 7.9033 122.0233 59.5717 32.1134 179.1190 40 Q 3.9773 7.9963 117.8014 58.9386 28.7383 178.2802 41 E 3.9336 8.1075 119.7852 59.3702 29.8770 178.5333 42 E 3.9846 8.1901 118.6756 59.3478 29.3976 179.3228 43 S 4.0977 8.2614 113.2492 61.5157 62.5209 176.2985 44 I 3.7020 7.9183 122.5590 64.0215 36.8720 178.3463 45 K 3.8685 8.1450 120.3389 59.4949 32.0815 178.7665 46 A 3.9792 7.8375 120.5762 55.2616 18.2985 179.2269 47 M 3.9429 8.3342 117.0228 59.0418 32.3442 178.1364 48 D 4.3686 8.6459 119.1166 57.3428 40.9324 178.8014 49 A 3.9812 7.9096 120.8384 55.1353 18.4228 179.9215 50 R 3.7923 7.9787 116.6418 59.4391 30.0439 179.0963 51 N 4.3065 8.3361 116.1025 56.1836 38.4495 177.2359 52 A 3.9837 8.1384 122.2707 55.0704 18.3437 179.6460 53 K 3.8197 7.9729 118.0231 59.6268 32.2963 179.3264 54 R 3.6035 7.7679 118.2513 59.1422 29.9300 179.1407 55 I 3.7784 8.1075 119.7085 64.3168 37.2665 178.3551 56 A 3.9661 8.1965 121.8205 55.3373 18.1498 179.4838 57 N 4.2454 8.3490 114.9709 56.2949 38.4857 177.5547 58 A 4.3809 7.8886 123.5849 54.5648 18.2508 179.6439 59 K 3.9501 7.9143 117.5628 59.3899 32.3289 178.7579 60 S 4.3656 7.8612 113.5966 60.6085 63.4178 175.9511 61 S 4.4106 8.3646 117.1455 58.4555 63.4792 175.4789 62 G 4.0250 8.7652 109.9830 44.8102 0.0000 172.7554 63 N 5.0366 7.9518 116.7729 51.1526 41.7239 173.1344 64 F 4.4340 8.8314 124.6163 56.9739 40.3217 174.8817 65 V 4.4293 7.3472 127.0381 60.8516 33.7890 174.8533 66 F 4.2063 9.2592 129.7144 60.8228 39.5205 174.9360 67 D 4.6613 7.9893 121.7158 52.3138 39.6440 175.0244 68 V 4.4051 7.4574 121.7716 59.5665 34.0026 176.5325 69 K 4.0081 8.2570 121.9629 57.0730 31.8789 175.1774 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 Y 8.13 4.93 0.00 2.63 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 2 D 8.35 4.27 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.62 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.52 4.29 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 5 N 7.92 4.74 0.00 2.66 3.03 0.00 0.00 7.00 7.65 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 6 C 8.37 5.02 0.00 3.02 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 7 K 8.40 3.96 0.00 1.84 1.97 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.42 7.81 8 E 7.73 4.70 0.00 2.15 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 0.00 2.30 2.34 0.00 9 P 0.00 4.30 0.00 2.07 2.07 0.00 3.74 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 2.04 2.11 0.00 10 G 9.16 3.95 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 0.00 11 N 8.36 4.88 0.00 2.71 2.82 0.00 0.00 6.98 7.31 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 12 C 8.49 5.06 0.00 3.09 3.23 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 13 W 7.60 4.39 0.00 3.24 3.13 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 14 E 5.90 3.83 0.00 1.36 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 2.01 2.33 0.00 15 N 7.23 3.72 0.00 2.97 2.80 0.00 0.00 6.14 7.13 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 16 K 8.12 4.16 0.00 1.64 1.81 0.00 1.33 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.27 7.81 17 P 0.00 4.42 0.00 2.22 2.12 0.00 3.82 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 2.09 2.03 0.00 18 G 9.27 3.88 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 0.00 19 Y 7.65 4.84 0.00 3.14 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 20 P 0.00 4.64 0.00 2.56 2.17 0.00 4.21 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 21 E 8.84 4.38 0.00 2.07 2.18 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 2.52 2.38 0.00 22 K 7.85 4.71 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.45 7.81 23 I 8.34 4.08 2.12 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 1.34 0.66 1.02 0.00 0.00 24 A 7.88 4.23 1.27 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 0.00 0.00 25 G 9.76 3.91 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 0.00 26 S 7.91 4.64 0.00 4.00 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 27 K 8.21 4.06 0.00 1.60 1.75 0.00 1.16 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.81 0.21 7.81 28 Y 7.43 4.78 0.00 3.09 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 29 D 7.87 4.48 0.00 2.89 2.60 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 30 P 0.00 4.24 0.00 1.64 2.06 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 31 K 8.33 3.78 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.53 7.81 32 H 7.78 4.38 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.55 4.62 0.00 2.80 2.55 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 34 P 0.00 4.22 0.00 2.06 2.12 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 35 V 7.81 3.72 2.27 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 1.03 0.00 0.00 0.93 0.00 0.00 36 E 8.49 3.94 0.00 2.26 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 0.00 2.31 2.39 0.00 37 L 7.97 4.04 0.00 1.83 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.78 4.70 0.00 2.81 2.82 0.00 0.00 6.94 8.36 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 39 K 7.90 3.97 0.00 1.92 1.86 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.73 7.81 40 Q 8.00 3.98 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 41 E 8.11 3.93 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 8.19 3.98 0.00 2.18 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 2.57 2.46 0.00 43 S 8.26 4.10 0.00 3.89 4.01 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 44 I 7.92 3.70 2.00 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 1.41 0.50 0.95 0.00 0.00 45 K 8.15 3.87 0.00 1.94 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.84 3.98 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 47 M 8.33 3.94 0.00 2.20 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 2.63 2.61 0.00 48 D 8.65 4.37 0.00 2.91 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 49 A 7.91 3.98 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 50 R 7.98 3.79 0.00 1.98 1.84 0.00 3.04 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 51 N 8.34 4.31 0.00 2.89 2.90 0.00 0.00 6.92 7.52 0.00 0.00 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 A 8.14 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.82 0.00 1.79 1.88 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 54 R 7.77 3.60 0.00 2.00 1.53 0.00 2.99 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 55 I 8.11 3.78 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 0.95 0.00 0.00 56 A 8.20 3.97 1.34 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 0.00 0.00 57 N 8.35 4.25 0.00 2.57 2.77 0.00 0.00 6.95 8.43 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 58 A 7.89 4.38 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 59 K 7.91 3.95 0.00 1.80 2.01 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 S 7.86 4.37 0.00 4.09 3.96 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 61 S 8.36 4.41 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 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 0.00 0.00 0.00 63 N 7.95 5.04 0.00 2.85 2.71 0.00 0.00 6.50 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.83 4.43 0.00 3.06 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 65 V 7.35 4.43 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 0.85 0.00 0.00 0.91 0.00 0.00 66 F 9.26 4.21 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.99 4.66 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.46 4.41 1.93 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 0.56 0.00 0.00 0.89 0.00 0.00 69 K 8.26 4.01 0.00 1.63 1.62 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.46 7.81