NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2812 8.2649 123.5815 51.5492 20.8680 176.5206 3 K 4.2899 7.6581 114.6916 54.8864 34.6014 173.6531 4 H 4.0673 8.7569 116.6328 59.1811 29.4069 173.4194 5 P 4.3321 0.0000 0.0000 63.0523 30.0423 175.2030 6 V 4.4041 7.8608 122.7612 60.1872 34.4462 173.4238 7 P 4.3664 0.0000 0.0000 62.7791 31.9713 176.3349 8 K 4.1305 8.7149 123.7953 58.5934 32.5633 176.9832 9 K 4.5829 7.5006 115.0114 53.7206 35.5813 175.9601 10 K 3.9006 8.5772 122.3504 56.4468 31.4855 176.3629 11 T 3.7936 8.5718 117.2350 61.8759 68.6610 174.4820 12 S 4.0916 8.8530 121.3265 58.7414 64.2219 175.4441 13 K 3.9459 8.8859 124.2767 59.7840 32.0615 179.1499 14 A 4.0682 7.8644 122.0285 55.1485 18.5293 179.3716 15 R 3.8504 7.6817 116.1483 59.6695 30.2469 177.9163 16 R 3.8054 8.0645 118.0922 60.0813 29.6796 177.7089 17 D 4.3703 7.7943 117.0299 57.4983 41.1341 178.5549 18 A 4.1289 7.5254 119.2344 55.3027 18.5570 179.0770 19 R 4.0839 8.4243 117.2958 59.8315 30.1605 179.0561 20 R 4.5820 7.7790 115.3316 56.7844 29.6763 178.6505 21 S 4.0672 8.2969 114.5124 62.1173 62.1091 174.8426 22 H 4.5627 7.7613 116.1929 56.6822 28.7533 176.1246 23 H 4.2039 7.8980 119.8989 58.4355 29.9154 175.6413 24 A 4.1153 7.1597 121.3540 52.2843 18.6443 177.4124 25 L 4.4164 8.0960 120.0766 54.2021 43.3713 176.4440 26 T 4.5083 8.0712 109.2574 59.5492 70.6640 171.7977 27 P 4.2027 0.0000 0.0000 62.1143 31.4109 174.1729 28 P 4.4409 0.0000 0.0000 63.1311 31.8115 174.9749 29 I 4.5837 8.0575 118.6707 59.5757 38.9590 175.4720 30 L 5.0973 8.4729 125.4400 53.3041 46.0883 176.0407 31 V 4.6203 8.6568 113.2540 58.9212 36.3910 173.3508 32 P 4.7745 0.0000 0.0000 63.0998 31.8809 175.3991 33 C 5.0282 8.1617 116.1075 55.5857 32.3088 173.1782 34 P 4.3960 0.0000 0.0000 65.9197 32.5042 177.4807 35 E 3.9128 8.0896 114.8305 57.9035 27.7203 178.8530 36 C 4.4412 8.9932 128.8636 59.4401 34.0606 171.2364 37 K 4.2137 8.4558 118.3730 56.6116 32.5245 176.9916 38 A 4.0470 7.8024 120.1893 53.7325 19.5756 176.7850 39 M 4.7095 8.4927 120.0826 53.9379 32.4004 176.0531 40 K 4.4169 8.5424 123.9346 54.7667 33.8501 175.1619 41 P 4.7451 0.0000 0.0000 62.1620 31.8820 174.4504 42 P 4.1022 0.0000 0.0000 64.7425 32.2668 175.9419 43 H 4.0336 8.5313 117.5914 56.3230 25.8720 174.3302 44 T 4.3944 6.8973 112.1982 62.4971 73.0148 175.8561 45 V 3.4266 7.6252 124.1341 64.2469 33.4659 174.4324 46 C 4.6420 7.9329 113.4583 57.9790 34.0541 172.5408 47 P 4.4513 0.0000 0.0000 63.9539 31.3398 175.1493 48 E 3.8478 8.8332 118.7393 57.3344 28.0808 174.6335 49 C 4.6910 8.2604 112.2096 61.0768 33.9839 174.9431 50 G 3.8986 9.1900 104.9730 45.9620 0.0000 170.0651 51 Y 4.9189 7.8633 118.5174 58.1346 41.8752 173.4100 52 Y 4.6247 6.6474 114.7182 56.5683 40.9738 174.4612 53 A 4.0487 8.6912 123.8254 52.9041 18.7448 177.2961 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 2 A 8.26 4.28 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.66 4.29 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.56 7.81 4 H 8.76 4.07 0.00 3.10 3.43 0.00 5.90 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 5 P 0.00 4.33 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 V 7.86 4.40 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 0.86 0.00 0.00 0.97 0.00 0.00 7 P 0.00 4.37 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.58 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 8 K 8.71 4.13 0.00 1.70 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 K 7.50 4.58 0.00 1.73 1.65 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.58 3.90 0.00 1.71 1.77 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.57 3.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 S 8.85 4.09 0.00 4.06 4.08 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 0.00 0.00 0.00 13 K 8.89 3.95 0.00 2.00 2.13 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14 A 7.86 4.07 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 15 R 7.68 3.85 0.00 1.94 2.08 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 16 R 8.06 3.81 0.00 1.93 2.06 0.00 3.17 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 17 D 7.79 4.37 0.00 2.73 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 18 A 7.53 4.13 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 19 R 8.42 4.08 0.00 1.85 2.26 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 20 R 7.78 4.58 0.00 2.07 1.96 0.00 3.30 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 21 S 8.30 4.07 0.00 3.98 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.76 4.56 0.00 3.15 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.90 4.20 0.00 3.15 3.36 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.16 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.42 0.00 1.66 1.66 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.07 4.51 4.25 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 1.22 0.00 0.00 27 P 0.00 4.20 0.00 2.20 2.13 0.00 3.78 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 2.00 1.98 0.00 28 P 0.00 4.44 0.00 2.19 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 29 I 8.06 4.58 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 1.35 0.95 0.92 0.00 0.00 30 L 8.47 5.10 0.00 1.46 1.50 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.66 4.62 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 0.86 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.77 0.00 1.95 2.00 0.00 3.63 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 2.03 2.10 0.00 33 C 8.16 5.03 0.00 3.16 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 34 P 0.00 4.40 0.00 2.32 2.34 0.00 3.87 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 2.20 2.30 0.00 35 E 8.09 3.91 0.00 2.10 1.77 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 2.71 2.37 0.00 36 C 8.99 4.44 0.00 2.95 2.89 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 37 K 8.46 4.21 0.00 1.76 1.80 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 A 7.80 4.05 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 0.00 0.00 0.00 0.00 0.00 39 M 8.49 4.71 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 40 K 8.54 4.42 0.00 1.73 1.66 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 41 P 0.00 4.75 0.00 2.05 2.04 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 42 P 0.00 4.10 0.00 2.14 2.08 0.00 3.82 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 2.05 2.13 0.00 43 H 8.53 4.03 0.00 3.26 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 6.90 4.39 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 1.12 0.00 0.00 45 V 7.63 3.43 1.91 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 0.62 0.00 0.00 0.61 0.00 0.00 46 C 7.93 4.64 0.00 2.87 2.65 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 0.00 0.00 0.00 0.00 47 P 0.00 4.45 0.00 2.21 2.03 0.00 3.94 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 48 E 8.83 3.85 0.00 2.08 2.03 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 2.20 2.38 0.00 49 C 8.26 4.69 0.00 3.15 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 50 G 9.19 3.90 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 0.00 0.00 0.00 51 Y 7.86 4.92 0.00 2.67 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 52 Y 6.65 4.62 0.00 2.90 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 53 A 8.69 4.05 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