NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5069 8.3193 115.4126 58.5807 64.3705 172.6762 2 S 4.4804 8.1641 114.3513 56.5989 65.5340 172.4779 3 N 4.9612 8.8302 122.7962 52.7747 40.6149 177.6421 4 A 3.9937 8.3046 120.4661 55.1267 18.5578 179.6676 5 K 3.8985 8.0259 116.1476 59.5539 32.1558 179.3671 6 A 4.0105 7.9170 120.6159 55.1254 18.4000 179.2805 7 D 4.2971 8.3538 117.6615 57.6932 40.8238 179.0728 8 Q 4.0117 8.4758 118.6644 58.7237 28.5898 178.5110 9 A 3.9671 8.1960 122.0251 55.1659 18.3488 179.6624 10 S 4.0169 8.2712 111.6868 61.6164 62.4498 176.5547 11 S 4.1122 8.1719 117.8453 61.7004 62.4944 176.3715 12 D 4.3346 8.3951 121.5490 57.4311 40.5195 178.8280 13 A 3.9906 8.3354 121.4900 55.1897 18.3646 179.7652 14 Q 3.9441 8.2787 116.8410 59.2791 28.7501 179.0368 15 T 3.8657 8.1765 116.7314 66.5370 68.4201 176.6010 16 A 4.0054 8.2300 122.8780 55.3025 18.3088 179.4752 17 N 4.2654 8.4595 114.9036 56.2733 38.5903 177.5505 18 A 3.9649 8.1210 122.2482 54.9797 18.4151 179.5907 19 K 3.8600 8.2186 117.9618 59.6684 32.2226 178.9630 20 A 3.9845 8.3474 121.3792 55.0055 18.2574 179.2725 21 D 4.2804 8.3808 117.8108 57.7032 40.8789 178.9127 22 Q 3.9366 8.1488 119.6971 59.1060 28.9697 177.9856 23 A 3.9666 8.2761 122.0838 55.1465 18.2996 179.5822 24 S 4.0174 8.3177 111.8341 61.6780 62.5196 176.2340 25 N 4.3549 8.1929 119.2357 56.2738 38.2934 177.1712 26 D 4.3600 8.4385 120.4489 57.3527 40.8598 178.7921 27 A 4.0045 8.3242 121.5597 55.1012 18.4324 179.2301 28 N 4.2263 8.4818 115.6230 56.6275 38.9659 176.9912 29 A 3.9629 8.1577 122.0641 55.1423 18.4155 179.4788 30 A 3.9436 8.1414 119.2745 55.2946 18.4216 180.0767 31 R 3.8567 8.2197 116.7597 59.3922 30.0829 179.2189 32 S 4.0900 8.0247 112.8255 61.5371 62.3707 175.9626 33 D 4.3240 8.3318 121.4506 57.2474 40.4493 178.6839 34 A 3.9651 8.3597 121.6984 55.2230 18.3320 179.5092 35 Q 3.8668 8.2816 117.9325 59.1481 29.0186 178.2514 36 A 3.9525 8.2865 121.8244 55.0942 18.3894 179.4896 37 A 3.9261 8.2262 119.3915 55.1641 18.3656 179.9794 38 K 3.9054 8.3285 117.2656 59.8142 32.0776 179.3461 39 D 4.3460 8.4006 119.3425 57.3990 40.6810 178.5652 40 D 4.3237 8.4428 119.4947 57.2222 40.8001 178.7297 41 A 3.9555 8.2563 121.1538 55.1126 18.4018 179.4778 42 A 3.9521 8.2198 119.5292 55.3475 18.3738 179.9005 43 R 3.8549 8.3071 117.1450 59.3351 30.2364 178.5093 44 A 3.9848 8.1625 120.7159 55.4475 18.3569 179.4631 45 N 4.3737 8.2556 114.8621 56.3066 38.4526 177.7677 46 Q 4.0104 8.4728 120.1615 59.0434 28.8406 179.0070 47 R 3.9020 8.2475 118.9524 59.0717 29.8449 179.0190 48 A 3.9908 7.6614 119.2146 55.1576 18.6873 178.9567 49 D 4.4801 8.4364 117.8290 57.8869 40.7671 179.0861 50 N 4.4232 8.3613 115.1364 55.5233 38.5919 176.4195 51 A 4.3676 7.5022 119.3039 52.1438 19.3069 176.9520 52 A 4.1102 7.6599 125.4690 52.4298 18.4397 177.4057 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 S 8.32 4.51 0.00 3.99 3.94 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 0.00 0.00 0.00 2 S 8.16 4.48 0.00 4.03 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 3 N 8.83 4.96 0.00 2.78 2.75 0.00 0.00 7.02 7.81 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 4 A 8.30 3.99 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 5 K 8.03 3.90 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.45 7.81 6 A 7.92 4.01 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 7 D 8.35 4.30 0.00 2.85 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 8 Q 8.48 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 9 A 8.20 3.97 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 10 S 8.27 4.02 0.00 3.90 3.99 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 11 S 8.17 4.11 0.00 4.04 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 12 D 8.40 4.33 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.34 3.99 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 14 Q 8.28 3.94 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 15 T 8.18 3.87 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 1.21 0.00 0.00 16 A 8.23 4.01 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 17 N 8.46 4.27 0.00 2.96 2.88 0.00 0.00 6.92 7.40 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 18 A 8.12 3.96 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 19 K 8.22 3.86 0.00 1.99 1.93 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 20 A 8.35 3.98 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 21 D 8.38 4.28 0.00 2.92 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 22 Q 8.15 3.94 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 23 A 8.28 3.97 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 24 S 8.32 4.02 0.00 3.96 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 25 N 8.19 4.35 0.00 2.79 2.84 0.00 0.00 7.06 8.18 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 26 D 8.44 4.36 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.32 4.00 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 28 N 8.48 4.23 0.00 2.92 2.97 0.00 0.00 7.11 8.83 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 29 A 8.16 3.96 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 30 A 8.14 3.94 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 31 R 8.22 3.86 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 32 S 8.02 4.09 0.00 3.91 3.99 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 33 D 8.33 4.32 0.00 2.89 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 34 A 8.36 3.97 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 35 Q 8.28 3.87 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.29 3.95 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 37 A 8.23 3.93 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 38 K 8.33 3.91 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 39 D 8.40 4.35 0.00 2.83 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 40 D 8.44 4.32 0.00 2.85 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 41 A 8.26 3.96 1.34 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 0.00 0.00 42 A 8.22 3.95 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 R 8.31 3.85 0.00 1.88 2.18 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 A 8.16 3.98 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 45 N 8.26 4.37 0.00 2.89 2.88 0.00 0.00 7.07 7.78 0.00 0.00 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 Q 8.47 4.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 47 R 8.25 3.90 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 48 A 7.66 3.99 1.34 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 0.00 0.00 49 D 8.44 4.48 0.00 2.84 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 50 N 8.36 4.42 0.00 2.82 2.88 0.00 0.00 7.04 7.76 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 51 A 7.50 4.37 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 52 A 7.66 4.11 1.28 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 0.00 0.00 0.00