NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4616 8.2929 117.0995 57.7464 64.1725 174.8775 16 Q 3.9735 9.0286 128.1071 59.4740 28.2901 174.7879 17 Q 4.4364 8.3534 123.8825 60.1513 28.6350 180.4579 18 K 4.2042 7.9689 123.8598 60.0019 31.6962 183.0454 19 I 4.1778 7.6545 113.7440 63.7716 37.2639 177.9724 20 Q 3.5084 8.2366 120.0458 58.8914 28.0154 178.9543 21 A 4.0428 8.4174 122.1559 55.0540 18.2601 179.4470 22 A 4.1747 8.9271 122.6426 55.9655 18.3947 180.4291 23 E 3.9210 8.0455 116.1386 61.0824 30.0124 180.9533 24 A 4.2414 8.6519 124.7920 55.5888 18.4244 180.2926 25 E 3.9152 9.3228 117.4581 61.4118 30.0321 181.1253 26 L 4.3696 8.3779 122.6471 57.5398 41.5768 180.2507 27 D 4.3293 7.7755 121.4998 58.4346 39.8510 183.6821 28 L 4.2700 7.7990 121.9688 57.5217 42.0174 179.2038 29 V 3.6545 8.2230 119.0773 66.0681 31.4782 178.2622 30 T 3.9107 7.9209 115.4737 66.6701 68.4073 176.1918 31 D 4.3645 8.1391 119.9468 57.5884 41.2000 177.9959 32 M 4.0326 8.2756 118.6244 58.7800 32.2666 177.7796 33 F 4.1065 8.2470 120.7377 61.5756 39.4569 176.8821 34 N 4.1592 8.3840 116.0088 56.0074 38.2648 177.6538 35 K 3.9341 8.0583 120.0517 59.0217 32.0254 179.0469 36 L 2.9279 7.8322 121.0490 57.8237 41.5970 179.1554 37 V 3.3069 7.2027 117.9668 66.1378 31.2573 177.7957 38 N 4.3273 7.9897 116.0580 56.1288 38.3436 177.2131 39 N 4.3431 8.6416 118.4626 56.7324 38.7704 176.9553 40 C 4.4009 8.3201 117.5979 59.5448 36.9624 175.7530 41 Y 3.8638 7.6845 121.4731 60.6528 38.2293 177.8682 42 K 4.1150 7.7653 118.2104 59.3558 32.1903 179.2567 43 K 4.1564 7.9978 118.1314 58.5723 32.1166 177.2182 44 C 4.7883 8.0339 113.9433 56.4246 42.3790 173.7778 45 I 4.1458 7.6815 121.2153 59.2306 37.8341 174.3607 46 N 4.7732 7.9248 123.3055 52.0358 40.1793 174.2440 47 T 4.2614 8.2493 115.2492 62.0817 69.9747 174.7033 48 S 4.0171 8.0910 118.8080 60.4762 62.9150 173.2718 49 Y 3.7710 7.9840 122.5772 58.7908 35.5407 171.2696 50 S 4.5592 7.7885 112.5166 57.5110 63.6789 172.7468 51 E 4.6821 7.9350 122.8668 55.5504 31.3908 179.0127 52 G 3.3480 8.0321 112.7885 47.6539 0.0000 173.9627 53 E 4.0745 8.7090 122.2460 55.4559 30.2392 175.8754 54 L 4.4442 8.2597 127.5200 53.7202 41.9819 176.5889 55 N 4.7358 9.1315 127.6857 52.5971 39.4538 176.5351 56 K 3.8880 8.5725 125.3355 60.3908 31.6807 178.7905 57 N 4.5376 8.2257 117.3396 56.1243 38.4945 177.3310 58 E 3.9774 8.7775 120.2463 59.3133 29.3902 179.5292 59 S 4.1319 8.3957 115.9569 61.6694 62.9320 176.9720 60 S 4.3131 8.3055 117.1117 61.3838 62.8807 175.3508 61 C 4.1292 8.1106 122.0905 59.5293 38.8867 175.5635 62 L 3.9188 7.8847 120.1965 58.0001 41.2685 178.9782 63 D 4.3874 7.7789 118.6071 57.8856 40.7833 179.4743 64 R 3.9785 8.1714 118.1385 59.1815 29.9772 178.4827 65 C 4.2908 8.6772 118.8118 59.7854 39.5995 175.7606 66 V 3.6247 8.4776 119.9587 65.8842 31.0314 177.9048 67 A 4.1221 8.2817 120.5128 55.3271 18.2847 179.9101 68 K 4.0540 8.5153 117.0845 59.4208 32.0018 179.0513 69 Y 3.8988 8.2450 120.4323 60.5669 38.8055 177.8271 70 F 4.1327 8.4198 119.0646 60.3992 39.1126 177.3353 71 E 4.0369 8.5914 119.0776 59.6493 29.3959 179.1023 72 T 3.8644 8.1303 116.1290 66.5333 68.4413 176.0080 73 N 4.0675 7.8456 118.4350 56.4424 38.5815 177.2091 74 V 3.5470 7.7958 118.6899 66.2193 31.7656 177.7062 75 Q 3.8985 8.0421 118.9906 59.6212 28.7551 178.9719 76 V 3.7208 8.3913 119.2361 65.6712 31.3252 178.2746 77 G 3.5778 8.4896 106.2706 47.7405 0.0000 175.6261 78 E 4.0934 8.7433 121.0975 58.8190 29.0601 179.0849 79 N 4.4126 7.9929 116.8209 56.3684 38.3706 177.2812 80 M 4.1890 7.8509 121.7643 58.7705 32.1411 179.1267 81 Q 4.1610 7.7072 120.3190 59.5737 28.2975 181.6301 82 K 4.3420 7.8814 121.8726 60.1047 32.4564 177.2214 83 M 4.2962 7.5076 119.7750 54.4772 31.9154 177.0993 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 15 S 8.29 4.46 0.00 3.67 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 16 Q 9.03 3.97 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 17 Q 8.35 4.44 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.87 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 18 K 7.97 4.20 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 19 I 7.65 4.18 1.87 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 1.86 0.63 0.96 0.00 0.00 20 Q 8.24 3.51 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 21 A 8.42 4.04 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 22 A 8.93 4.17 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 23 E 8.05 3.92 0.00 1.99 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 2.31 1.94 0.00 24 A 8.65 4.24 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.32 3.92 0.00 2.00 1.96 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 2.24 2.22 0.00 26 L 8.38 4.37 0.00 1.74 1.75 0.92 1.36 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 27 D 7.78 4.33 0.00 2.66 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 28 L 7.80 4.27 0.00 1.80 1.84 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.22 3.65 2.11 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 1.03 0.00 0.00 0.98 0.00 0.00 30 T 7.92 3.91 4.28 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 1.26 0.00 0.00 31 D 8.14 4.36 0.00 2.92 2.70 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 32 M 8.28 4.03 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 33 F 8.25 4.11 0.00 3.30 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 34 N 8.38 4.16 0.00 2.94 2.82 0.00 0.00 7.00 6.76 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 35 K 8.06 3.93 0.00 1.97 1.90 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.30 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 36 L 7.83 2.93 0.00 1.25 1.37 0.41 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.20 3.31 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 0.83 0.00 0.00 0.02 0.00 0.00 38 N 7.99 4.33 0.00 2.71 2.79 0.00 0.00 7.09 6.32 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 39 N 8.64 4.34 0.00 2.68 2.87 0.00 0.00 7.02 7.55 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 40 C 8.32 4.40 0.00 2.99 3.11 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 41 Y 7.68 3.86 0.00 3.18 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 42 K 7.77 4.12 0.00 1.92 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.81 7.81 43 K 8.00 4.16 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.65 7.81 44 C 8.03 4.79 0.00 3.02 3.03 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 45 I 7.68 4.15 0.73 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 1.18 0.55 0.63 0.00 0.00 46 N 7.92 4.77 0.00 2.60 2.65 0.00 0.00 7.22 7.58 0.00 0.00 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 T 8.25 4.26 4.26 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 1.29 0.00 0.00 48 S 8.09 4.02 0.00 3.91 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 49 Y 7.98 3.77 0.00 3.07 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 50 S 7.79 4.56 0.00 3.97 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 51 E 7.94 4.68 0.00 2.01 1.83 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 2.31 2.22 0.00 52 G 8.03 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 0.00 0.00 0.00 53 E 8.71 4.07 0.00 1.88 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 2.32 2.25 0.00 54 L 8.26 4.44 0.00 1.64 1.60 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.13 4.74 0.00 3.03 2.94 0.00 0.00 6.73 6.73 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 56 K 8.57 3.89 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.12 7.81 57 N 8.23 4.54 0.00 2.97 2.89 0.00 0.00 7.09 7.66 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 58 E 8.78 3.98 0.00 2.17 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 2.46 2.32 0.00 59 S 8.40 4.13 0.00 4.01 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 60 S 8.31 4.31 0.00 4.05 4.12 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 61 C 8.11 4.13 0.00 3.19 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 62 L 7.88 3.92 0.00 1.95 1.72 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.78 4.39 0.00 2.78 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 64 R 8.17 3.98 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 65 C 8.68 4.29 0.00 3.07 3.26 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 66 V 8.48 3.62 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.01 0.00 0.00 67 A 8.28 4.12 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 68 K 8.52 4.05 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.68 7.81 69 Y 8.24 3.90 0.00 3.30 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 70 F 8.42 4.13 0.00 3.34 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 71 E 8.59 4.04 0.00 2.23 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 2.33 2.39 0.00 72 T 8.13 3.86 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 1.03 0.00 0.00 73 N 7.85 4.07 0.00 2.99 2.78 0.00 0.00 6.61 7.84 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 74 V 7.80 3.55 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 0.96 0.00 0.00 1.03 0.00 0.00 75 Q 8.04 3.90 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 76 V 8.39 3.72 2.17 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 0.90 0.00 0.00 0.87 0.00 0.00 77 G 8.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.74 4.09 0.00 2.10 2.00 0.00 0.00 0.00 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 2.59 0.00 79 N 7.99 4.41 0.00 2.91 2.84 0.00 0.00 6.87 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 80 M 7.85 4.19 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.53 0.00 81 Q 7.71 4.16 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 82 K 7.88 4.34 0.00 1.81 2.02 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.45 7.81 83 M 7.51 4.30 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00