NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4324 8.1233 122.4664 52.0189 20.6176 175.2754 2 Y 4.2311 8.6575 119.3549 55.9445 39.2267 169.7833 3 V 4.5935 9.1216 123.4166 60.7275 36.1551 174.1594 4 I 4.1939 8.3747 125.1244 61.5540 39.0796 174.3243 5 T 4.2733 7.9111 113.7055 60.6143 72.5356 175.7288 6 E 2.7945 6.8132 119.6776 57.4886 31.3524 176.7796 7 P 4.0953 0.0000 0.0000 65.8626 31.4958 177.1734 8 C 4.1009 7.7893 118.5672 61.4846 31.7069 173.5167 9 I 3.7886 7.3392 120.9987 62.9522 37.0823 174.8670 10 G 4.3494 10.0252 117.5704 46.2455 0.0000 174.8524 11 T 3.8426 7.7511 114.9651 65.9654 68.6408 174.5415 12 K 4.3848 9.0073 124.3789 56.5119 32.6523 175.2015 13 D 5.0391 7.3392 114.0329 53.3506 45.2309 173.2791 14 A 4.4962 8.9858 125.9653 52.9182 25.8201 176.8490 15 S 4.6925 7.7105 108.5682 57.0976 67.0006 173.4260 16 C 3.9215 8.4345 115.8873 59.7718 29.9572 180.3267 17 V 2.4159 5.7994 116.6154 61.3679 35.3331 176.4432 18 E 3.9895 7.8750 124.7732 58.2499 30.0926 179.2270 19 V 3.6344 7.5999 112.2335 63.5192 31.9415 175.9061 20 C 4.2404 7.7870 121.3179 58.0276 31.7109 172.1087 21 P 4.1910 0.0000 0.0000 65.3243 31.0612 177.4496 22 V 4.2559 7.6536 109.4809 60.4164 32.2543 175.2326 23 D 4.4276 8.1711 117.3872 54.2042 39.0275 173.3876 24 C 4.2564 7.5379 112.8425 59.3945 30.7291 172.5137 25 I 4.6374 7.3321 121.2082 61.3539 37.7192 175.2173 26 H 5.2795 9.3944 124.1137 53.8226 33.0234 173.4238 27 E 4.6622 9.3857 121.3063 56.5523 30.9732 177.6343 28 G 4.5039 8.6864 110.9814 45.6249 0.0000 174.4774 29 E 4.0415 9.2935 121.4792 58.8978 29.0778 176.2904 30 D 4.6379 7.4280 115.2214 55.2524 43.8581 177.6452 31 Q 4.2523 7.4313 115.3515 55.0943 30.4195 174.8640 32 Y 4.9834 8.2218 115.8223 58.1559 38.7350 173.9319 33 Y 4.7874 9.5641 118.4917 56.3611 42.5873 174.5703 34 I 5.0455 9.3113 120.4448 59.6758 41.2052 175.5340 35 D 4.8125 8.5658 126.2332 53.3892 41.0425 175.2497 36 P 4.3776 0.0000 0.0000 64.6626 31.6207 177.4769 37 D 4.6544 8.2508 116.3395 55.7909 41.4080 178.5664 38 V 3.7003 8.6566 118.7812 65.0109 32.0437 176.1850 39 C 3.9845 7.6741 117.9426 60.1899 31.6682 172.9368 40 I 4.2749 8.4211 119.1729 60.3758 37.5977 175.5561 41 D 4.5846 8.1431 118.5987 55.7708 37.3398 172.0164 42 C 4.8814 7.9681 114.8636 55.9134 33.1133 175.5443 43 G 3.7545 8.1513 103.6636 44.6837 0.0000 175.1476 44 A 3.9758 7.6614 123.6499 54.8718 18.4769 179.5536 45 C 3.9040 7.7732 111.3221 61.1801 29.5075 175.2461 46 E 3.7235 7.9225 120.2417 59.2105 29.0923 178.5252 47 A 4.1045 7.4059 119.1506 54.9670 18.4868 179.6573 48 V 3.7136 7.2422 116.6797 63.6718 32.1184 176.9810 49 C 3.9930 7.9958 121.0885 58.1212 31.6587 170.5836 50 P 4.2382 0.0000 0.0000 64.1665 31.0855 176.2998 51 V 3.2086 8.8488 121.1885 63.0978 30.4112 172.3643 52 S 3.4510 8.1548 110.7852 58.4935 60.7998 172.6988 53 A 3.6902 7.4222 124.0062 55.3062 18.7086 177.6676 54 I 4.0716 7.4061 115.9442 62.0456 37.3475 175.5038 55 Y 5.2535 8.9489 125.2976 56.0374 41.7695 175.0989 56 H 3.9840 8.7460 121.7409 55.4869 30.5095 175.8425 57 E 3.9191 7.7583 123.9380 59.8041 29.0498 179.2390 58 D 4.4055 7.4145 117.2556 57.4044 41.6429 177.7585 59 F 4.5550 8.0218 116.3959 59.2444 39.1357 176.2695 60 V 3.6593 7.7623 118.5133 62.4948 31.8690 174.0122 61 P 4.3367 0.0000 0.0000 62.5548 32.2261 176.7120 62 E 3.8673 8.9739 120.3247 59.9647 29.0926 179.2189 63 E 3.7724 7.7940 117.1418 58.8569 29.8342 178.1553 64 W 5.0371 8.0655 117.5437 55.8020 29.7961 177.9852 65 K 4.0674 7.9904 119.9430 59.2445 31.4765 178.7061 66 S 4.1025 8.2080 114.3299 62.1228 62.6461 176.0426 67 Y 4.4799 7.8555 120.4949 60.4496 37.5583 178.8971 68 I 3.8052 7.9054 120.5576 64.5463 37.2701 178.3003 69 Q 4.0263 8.3596 119.0742 58.8699 28.5311 179.0213 70 K 3.8980 8.4494 120.7920 59.7457 31.9226 178.2788 71 N 4.4260 8.7916 116.9484 56.6857 38.4298 177.3151 72 R 3.9220 8.3686 119.2752 59.5065 30.0262 178.3046 73 D 4.3508 8.4569 116.7978 57.6652 41.2383 177.9283 74 F 3.5464 8.2426 117.3144 60.0431 38.9463 176.9615 75 F 4.8109 6.8217 113.1792 58.8771 40.3817 177.0399 76 K 4.5182 8.3326 122.9058 56.4903 34.8112 176.3630 77 K 4.0935 8.3922 116.6769 57.2578 33.0313 175.2470 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 A 8.12 4.43 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 4.23 0.00 2.98 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 3 V 9.12 4.59 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 1.05 0.00 0.00 0.93 0.00 0.00 4 I 8.37 4.19 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.44 0.00 0.00 5 T 7.91 4.27 4.18 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 1.59 0.00 0.00 6 E 6.81 2.79 0.00 1.16 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 2.03 2.08 0.00 7 P 0.00 4.10 0.00 2.15 2.18 0.00 3.31 0.00 0.00 3.24 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 8 C 7.79 4.10 0.00 2.87 2.74 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 9 I 7.34 3.79 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.27 0.85 0.00 0.00 10 G 10.03 4.35 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 0.00 0.00 0.00 11 T 7.75 3.84 4.33 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 1.24 0.00 0.00 12 K 9.01 4.38 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.48 7.81 13 D 7.34 5.04 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 4.50 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.69 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.43 3.92 0.00 2.93 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 17 V 5.80 2.42 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 18 E 7.88 3.99 0.00 2.06 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 0.00 2.23 2.29 0.00 19 V 7.60 3.63 2.01 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 0.72 0.00 0.00 0.90 0.00 0.00 20 C 7.79 4.24 0.00 2.87 2.83 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 21 P 0.00 4.19 0.00 2.05 2.10 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 22 V 7.65 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 0.90 0.00 0.00 0.95 0.00 0.00 23 D 8.17 4.43 0.00 2.84 2.83 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 24 C 7.54 4.26 0.00 2.84 3.22 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 25 I 7.33 4.64 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.31 0.51 0.00 0.00 26 H 9.39 5.28 0.00 3.40 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.39 4.66 0.00 2.04 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 2.37 2.19 0.00 28 G 8.69 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.29 4.04 0.00 2.08 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 2.40 2.45 0.00 30 D 7.43 4.64 0.00 2.59 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 31 Q 7.43 4.25 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 32 Y 8.22 4.98 0.00 2.77 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 33 Y 9.56 4.79 0.00 3.28 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 34 I 9.31 5.05 1.94 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 1.06 0.59 0.95 0.00 0.00 35 D 8.57 4.81 0.00 2.11 2.39 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 36 P 0.00 4.38 0.00 2.10 2.12 0.00 3.87 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 37 D 8.25 4.65 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 3.70 2.05 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 0.72 0.00 0.00 0.95 0.00 0.00 39 C 7.67 3.98 0.00 3.03 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 40 I 8.42 4.27 1.88 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 0.63 0.94 0.00 0.00 41 D 8.14 4.58 0.00 2.86 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 42 C 7.97 4.88 0.00 2.98 2.85 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 43 G 8.15 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 44 A 7.66 3.98 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 45 C 7.77 3.90 0.00 3.04 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 46 E 7.92 3.72 0.00 1.45 1.99 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 2.29 2.49 0.00 47 A 7.41 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 3.71 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 0.81 0.00 0.00 0.88 0.00 0.00 49 C 8.00 3.99 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.17 1.98 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 51 V 8.85 3.21 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 0.80 0.00 0.00 0.94 0.00 0.00 52 S 8.15 3.45 0.00 3.83 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 53 A 7.42 3.69 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 54 I 7.41 4.07 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 1.01 0.00 0.00 55 Y 8.95 5.25 0.00 3.00 2.86 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 H 8.75 3.98 0.00 1.94 1.76 0.00 5.70 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.76 3.92 0.00 2.08 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 1.81 2.11 0.00 58 D 7.41 4.41 0.00 2.66 2.69 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 0.00 59 F 8.02 4.56 0.00 3.08 2.97 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 60 V 7.76 3.66 2.25 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 0.96 0.00 0.00 1.17 0.00 0.00 61 P 0.00 4.34 0.00 1.84 1.90 0.00 4.03 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 62 E 8.97 3.87 0.00 1.98 2.01 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 2.37 2.44 0.00 63 E 7.79 3.77 0.00 1.60 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 2.04 2.30 0.00 64 W 8.07 5.04 0.00 3.45 3.34 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 65 K 7.99 4.07 0.00 2.02 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.65 7.81 66 S 8.21 4.10 0.00 3.90 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 67 Y 7.86 4.48 0.00 3.28 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 68 I 7.91 3.81 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.57 0.94 0.00 0.00 69 Q 8.36 4.03 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 70 K 8.45 3.90 0.00 1.99 2.10 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.04 1.51 7.81 71 N 8.79 4.43 0.00 3.03 3.29 0.00 0.00 7.58 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 72 R 8.37 3.92 0.00 2.14 2.05 0.00 3.20 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 73 D 8.46 4.35 0.00 2.84 2.85 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 74 F 8.24 3.55 0.00 2.60 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 6.82 4.81 0.00 3.30 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 76 K 8.33 4.52 0.00 1.91 1.71 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 77 K 8.39 4.09 0.00 1.75 1.63 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81