NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.3972 8.2993 120.1365 56.0449 34.0178 176.1192 -6 S 4.4199 7.8509 113.6363 56.3821 65.6517 174.4974 -5 S 4.1551 8.3486 116.2553 61.3172 63.4128 177.1320 -4 H 4.1523 8.2025 121.8765 59.3657 29.6650 177.0394 -3 T 3.8558 7.8189 117.1251 66.5710 68.2790 176.0275 -2 L 3.9261 8.0262 122.1593 57.9829 42.1150 178.8905 -1 K 3.8873 7.8087 119.1134 59.8722 32.1913 178.9218 0 T 3.7915 7.9083 115.6370 66.5358 68.4014 176.2543 1 A 4.0583 8.0849 122.7790 55.7331 18.2645 179.5009 2 N 4.4275 8.5313 114.6679 56.0765 38.6363 178.1030 3 S 4.0903 8.0709 116.8378 61.6547 62.9059 175.7182 4 Y 4.1374 8.0789 122.1785 61.1572 38.3853 178.1740 5 T 3.7878 8.0577 116.3547 66.9479 68.5418 176.0634 6 D 4.3290 8.2758 120.7705 57.4037 40.9067 179.4319 7 V 3.7358 7.6313 120.8594 64.6599 31.5837 178.6205 8 T 3.6876 7.7751 116.7050 65.9465 68.1209 177.1383 9 V 3.5343 7.9604 120.7751 65.7873 31.4745 177.9371 10 S 4.0815 8.1668 114.3849 62.0126 62.6128 176.5153 11 N 4.3180 8.2292 120.1583 55.4634 38.1789 177.2775 12 S 4.0691 7.8853 114.3653 61.7840 62.4967 176.4896 13 T 3.8548 8.0488 118.3077 66.6899 68.2406 176.9500 14 K 4.0080 8.0622 120.3948 59.2195 31.9990 179.3816 15 K 3.9887 8.1327 119.8857 59.0467 31.9992 178.9486 16 A 3.9282 8.1518 121.2597 55.1161 18.3361 179.4497 17 I 3.6184 7.5898 118.2553 64.6888 37.1265 178.7257 18 R 3.9096 7.9975 118.5327 59.4940 29.9704 179.0627 19 E 3.9926 8.1450 118.1637 59.3683 29.4109 179.5438 20 S 4.1450 8.3078 115.3807 61.9422 62.9027 176.6901 21 N 4.3391 8.5838 119.3649 56.1763 38.2068 177.3641 22 Q 3.8825 8.3867 121.6206 58.9791 29.0830 177.3824 23 Y 4.1725 8.0457 120.6312 61.2287 38.8026 178.1584 24 T 3.8289 8.1197 116.4916 66.9967 68.6777 176.2084 25 D 4.3197 8.2286 120.7741 57.5708 40.5488 178.7030 26 H 4.2973 7.8169 115.8301 58.6950 29.1755 177.7739 27 K 4.0253 8.1861 120.5885 59.5920 31.8941 179.4358 28 F 3.9071 8.8424 118.4085 60.7114 38.8342 176.8724 29 H 4.2218 8.2272 117.5048 59.8850 28.9941 176.9769 30 Q 4.0071 7.9458 119.0762 59.0025 28.4293 178.9969 31 L 3.9886 7.6442 119.4631 57.5847 41.8141 179.0146 32 E 3.9576 8.4669 118.9825 59.6920 29.3751 179.2823 33 N 4.6334 8.3294 116.3649 56.1204 38.5527 177.5758 34 R 3.8244 7.6013 119.2916 59.2056 30.1392 177.9820 35 L 3.8909 8.0581 120.2563 58.4718 41.9841 178.3113 36 D 4.4303 8.5435 118.8366 57.8963 40.9241 179.7681 37 K 4.0629 8.3547 118.4885 59.3203 32.0993 179.5627 38 L 4.0499 8.0645 119.5600 57.6465 41.5355 179.2891 39 E 4.0008 8.4855 119.0854 59.1221 29.3957 179.4539 40 K 3.9501 8.4090 118.9540 59.7224 32.1202 179.6416 41 R 3.9558 7.9173 118.1230 58.9278 29.8299 179.0282 42 L 3.9633 7.8229 119.8726 58.3164 42.0316 179.1523 43 L 4.0211 7.7513 117.1663 57.6717 41.4919 179.2340 44 K 4.0807 8.0114 118.5538 58.7466 32.1052 178.4803 45 L 3.9749 8.6292 121.5513 58.3886 42.2301 177.2310 46 L 4.1809 7.9792 122.0720 54.9747 41.6121 176.5470 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 -7 K 8.30 4.40 0.00 1.76 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 -6 S 7.85 4.42 0.00 4.02 4.02 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 -5 S 8.35 4.16 0.00 4.08 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 0.00 -4 H 8.20 4.15 0.00 3.27 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.82 3.86 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 -2 L 8.03 3.93 0.00 1.76 1.67 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 7.81 3.89 0.00 1.89 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 0 T 7.91 3.79 4.19 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 1.19 0.00 0.00 1 A 8.08 4.06 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 2 N 8.53 4.43 0.00 2.75 2.88 0.00 0.00 7.08 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 3 S 8.07 4.09 0.00 4.06 3.93 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 0.00 0.00 0.00 0.00 4 Y 8.08 4.14 0.00 3.05 3.16 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 5 T 8.06 3.79 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 6 D 8.28 4.33 0.00 2.78 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 7 V 7.63 3.74 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.87 0.00 0.00 8 T 7.78 3.69 3.84 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 0.00 0.00 0.00 1.01 0.00 0.00 9 V 7.96 3.53 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 1.09 0.00 0.00 0.91 0.00 0.00 10 S 8.17 4.08 0.00 4.04 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 0.00 11 N 8.23 4.32 0.00 2.92 2.87 0.00 0.00 6.70 6.98 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 12 S 7.89 4.07 0.00 3.88 4.02 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 13 T 8.05 3.85 4.32 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 1.19 0.00 0.00 14 K 8.06 4.01 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 15 K 8.13 3.99 0.00 1.91 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 16 A 8.15 3.93 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 17 I 7.59 3.62 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 1.51 0.79 0.90 0.00 0.00 18 R 8.00 3.91 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 19 E 8.14 3.99 0.00 2.18 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 2.35 2.36 0.00 20 S 8.31 4.14 0.00 4.01 3.93 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 0.00 0.00 0.00 0.00 21 N 8.58 4.34 0.00 2.80 2.83 0.00 0.00 6.74 7.83 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 22 Q 8.39 3.88 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 23 Y 8.05 4.17 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 3.83 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 0.70 0.00 0.00 25 D 8.23 4.32 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 4.30 0.00 3.18 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.19 4.03 0.00 1.75 1.82 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.66 1.30 7.81 28 F 8.84 3.91 0.00 3.13 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 29 H 8.23 4.22 0.00 3.46 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.95 4.01 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 31 L 7.64 3.99 0.00 1.72 1.56 0.29 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.47 3.96 0.00 2.14 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 2.38 2.64 0.00 33 N 8.33 4.63 0.00 3.12 2.88 0.00 0.00 6.71 6.95 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 34 R 7.60 3.82 0.00 1.89 2.04 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 35 L 8.06 3.89 0.00 1.77 1.88 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.54 4.43 0.00 2.86 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 37 K 8.35 4.06 0.00 2.03 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 L 8.06 4.05 0.00 1.87 1.70 0.91 0.65 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 39 E 8.49 4.00 0.00 2.26 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 2.46 0.00 40 K 8.41 3.95 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 R 7.92 3.96 0.00 2.03 1.98 0.00 3.12 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 1.65 1.72 0.00 42 L 7.82 3.96 0.00 1.79 1.83 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.75 4.02 0.00 1.67 1.72 0.92 0.77 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 44 K 8.01 4.08 0.00 1.91 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 45 L 8.63 3.97 0.00 1.71 2.00 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.98 4.18 0.00 1.82 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00