NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 T 4.3335 8.0214 115.2520 62.0414 69.5858 175.7879 19 G 3.5328 8.0859 108.0973 46.5004 0.0000 170.3642 20 V 3.8476 8.7856 120.8608 65.3713 32.0836 175.9784 21 D 4.4417 7.8635 118.5186 57.0874 40.9637 178.0815 22 N 4.2776 8.0155 117.0065 56.8066 39.0866 176.7564 23 L 3.9730 7.8826 120.3884 57.6539 41.6924 179.1156 24 Q 3.6421 7.9458 119.6499 59.5536 28.9167 178.7619 25 T 3.8157 7.7076 115.9820 66.9558 68.5458 176.6870 26 Q 3.9934 7.9748 119.5266 58.8290 28.7158 179.1187 27 V 3.6187 7.8299 119.6153 66.2253 31.5299 178.3099 28 T 3.9364 7.8645 115.5352 66.4030 68.2649 176.7733 29 E 3.9265 8.4158 120.4538 59.3872 29.6618 179.1134 30 A 4.0508 8.1440 120.8187 55.0854 18.3734 179.4690 31 L 3.4304 7.9192 118.5068 58.3145 41.6693 178.9049 32 D 4.2807 8.1055 118.7910 57.4189 40.5139 179.0567 33 K 4.0384 7.9549 117.9962 59.0467 32.2244 179.0712 34 L 4.0198 7.6933 120.0507 58.1712 41.9397 178.8399 35 A 3.9762 8.3526 119.0697 54.6067 18.2235 178.6466 36 A 4.3378 7.4194 117.1757 52.7572 21.0828 177.5236 37 K 4.5436 7.6746 116.8364 53.8585 31.9797 174.9230 38 P 4.3690 0.0000 0.0000 65.0078 31.9129 178.0746 39 S 4.2743 7.8876 110.8609 59.3503 63.5749 174.0065 40 D 4.5689 7.9341 122.1800 53.0750 41.7254 174.8753 41 P 4.2594 0.0000 0.0000 65.3856 31.4645 178.3826 42 A 3.9981 8.1562 119.3629 55.3586 18.3253 179.5458 43 L 4.0607 7.7255 116.6579 57.5318 41.7685 179.3969 44 L 4.1000 7.6838 120.2131 57.6803 41.8969 178.8962 45 A 3.9747 8.3113 120.9025 55.0193 18.4302 179.3227 46 A 3.9369 8.0448 119.3684 55.4460 18.4170 179.2456 47 Y 4.0228 8.0347 117.7931 61.0211 38.9958 177.9382 48 Q 3.7358 7.9538 118.7051 59.1250 28.8481 179.1931 49 S 4.0530 8.2657 114.0814 61.4730 62.4295 176.4472 50 K 3.9964 7.9802 121.1022 59.0831 31.7615 179.1747 51 L 3.7918 8.0752 121.0897 57.9161 41.8190 178.9817 52 S 4.0215 8.0000 113.0218 61.4561 62.4466 175.4780 53 E 3.9101 8.0910 122.0115 59.5956 29.2516 178.2516 54 Y 4.0595 8.1742 119.2353 60.9526 38.9025 177.8854 55 N 4.2685 8.4571 117.4465 56.1983 38.5905 177.5360 56 L 3.9871 8.2678 120.8438 57.8914 41.7523 178.8851 57 Y 3.9968 8.1445 119.5704 60.2516 38.6570 177.8986 58 R 3.7149 7.8773 119.9190 59.4232 30.2623 177.9971 59 N 4.2420 8.2091 116.6507 56.4314 38.8395 176.7661 60 A 3.8570 7.8766 122.2824 55.0766 18.4487 179.2075 61 Q 3.6740 7.6563 116.5942 59.3735 28.8913 179.1708 62 S 4.0269 7.8611 113.5039 61.8740 62.3851 176.0677 63 N 4.3174 8.1531 118.7419 56.5894 38.4138 177.4340 64 T 3.8344 8.4941 114.6167 65.0889 67.2883 176.1617 65 A 4.0500 8.3760 122.9892 54.7405 18.2913 179.6488 66 K 4.0100 8.0075 116.8997 59.1269 32.1832 179.1517 67 A 4.1666 8.1198 120.9935 54.2997 18.4535 179.5307 68 F 4.0491 8.1804 119.4892 61.5561 39.5568 177.6143 69 K 4.0237 8.0895 118.2063 59.4901 31.8102 179.1834 70 D 4.3805 7.9282 119.0250 57.1733 40.7062 178.9051 71 I 3.6333 7.6948 120.3875 64.3558 37.1361 178.0116 72 D 4.1761 7.6513 119.3036 57.3317 40.6919 178.7263 73 A 3.9280 7.9425 120.7013 55.2326 18.1772 179.2517 74 A 3.9553 8.1434 118.1800 55.5838 18.5368 179.7014 75 I 3.8951 7.8161 117.9402 64.6185 37.2324 178.7948 76 I 3.8147 7.7920 120.6646 64.5129 36.7552 178.2107 77 Q 4.0359 8.4802 119.4005 59.3320 28.7684 178.0749 78 N 4.4375 7.7599 117.0228 55.4392 38.5943 175.2669 79 F 4.6393 8.1273 118.1112 56.8357 39.6499 176.0047 80 R 4.2097 7.7842 122.7460 56.7467 28.8941 174.4167 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 18 T 8.02 4.33 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 1.24 0.00 0.00 19 G 8.09 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.79 3.85 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 1.12 0.00 0.00 1.13 0.00 0.00 21 D 7.86 4.44 0.00 3.05 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 22 N 8.02 4.28 0.00 2.77 2.91 0.00 0.00 7.20 6.66 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 23 L 7.88 3.97 0.00 1.83 1.87 0.37 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.95 3.64 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 25 T 7.71 3.82 4.45 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 1.20 0.00 0.00 26 Q 7.97 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 27 V 7.83 3.62 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 0.97 0.00 0.00 0.72 0.00 0.00 28 T 7.86 3.94 4.38 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 1.18 0.00 0.00 29 E 8.42 3.93 0.00 2.17 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 2.32 2.48 0.00 30 A 8.14 4.05 1.55 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 0.00 0.00 31 L 7.92 3.43 0.00 1.81 1.77 0.22 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.11 4.28 0.00 2.91 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 33 K 7.95 4.04 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 34 L 7.69 4.02 0.00 1.82 1.70 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.35 3.98 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 A 7.42 4.34 1.35 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 37 K 7.67 4.54 0.00 1.71 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.36 7.81 38 P 0.00 4.37 0.00 2.06 2.09 0.00 3.70 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 2.01 2.28 0.00 39 S 7.89 4.27 0.00 3.97 3.98 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 40 D 7.93 4.57 0.00 2.85 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 8.16 4.00 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 43 L 7.73 4.06 0.00 1.98 1.74 1.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.68 4.10 0.00 1.77 1.85 1.00 1.21 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 45 A 8.31 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.94 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 Y 8.03 4.02 0.00 3.11 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 48 Q 7.95 3.74 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 49 S 8.27 4.05 0.00 3.97 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 50 K 7.98 4.00 0.00 1.93 1.76 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 51 L 8.08 3.79 0.00 0.86 1.42 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.00 4.02 0.00 3.97 3.97 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 53 E 8.09 3.91 0.00 2.09 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 2.29 2.34 0.00 54 Y 8.17 4.06 0.00 3.15 3.19 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 55 N 8.46 4.27 0.00 2.91 2.85 0.00 0.00 7.11 6.26 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 56 L 8.27 3.99 0.00 1.70 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.14 4.00 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.71 0.00 1.60 1.83 0.00 2.75 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 1.47 0.00 59 N 8.21 4.24 0.00 2.92 2.89 0.00 0.00 7.19 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 60 A 7.88 3.86 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 61 Q 7.66 3.67 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 62 S 7.86 4.03 0.00 3.85 3.97 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 63 N 8.15 4.32 0.00 2.81 2.83 0.00 0.00 6.78 7.00 0.00 0.00 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 T 8.49 3.83 4.31 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 0.00 0.00 0.00 1.16 0.00 0.00 65 A 8.38 4.05 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.01 4.01 0.00 2.00 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 67 A 8.12 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 4.05 0.00 3.16 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 69 K 8.09 4.02 0.00 1.88 1.90 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.89 7.81 70 D 7.93 4.38 0.00 2.80 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 71 I 7.69 3.63 1.86 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 1.49 1.01 0.82 0.00 0.00 72 D 7.65 4.18 0.00 2.68 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 73 A 7.94 3.93 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 74 A 8.14 3.96 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 75 I 7.82 3.90 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.97 0.00 0.00 76 I 7.79 3.81 2.00 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 1.39 0.91 0.93 0.00 0.00 77 Q 8.48 4.04 0.00 2.04 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 78 N 7.76 4.44 0.00 2.92 2.45 0.00 0.00 6.98 7.33 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 79 F 8.13 4.64 0.00 3.05 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 80 R 7.78 4.21 0.00 1.89 1.88 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00