NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3851 8.3044 120.3487 55.0613 32.3360 174.6114 2 M 3.8854 8.5017 126.3976 53.8178 32.8375 173.9672 3 T 4.3501 8.6192 117.8342 60.1024 70.9093 173.9087 4 A 4.1920 8.1966 129.2869 51.6629 19.7158 174.9584 5 S 4.5215 8.3580 118.3042 57.6475 63.3366 174.5170 6 D 4.4921 8.5990 125.8161 54.4653 41.4901 175.8341 7 R 4.5369 8.3026 118.9744 55.5423 30.5195 175.8318 8 L 4.3374 8.1654 119.4201 54.3651 40.1375 176.7305 9 G 4.1180 8.0842 116.2421 44.8921 0.0000 172.0695 10 A 4.1631 8.0275 124.1112 51.4091 16.7570 176.0625 11 D 4.5239 8.2158 120.3370 53.3210 42.5378 176.0110 12 P 4.6678 0.0000 0.0000 62.5740 29.9798 176.5309 13 T 3.8977 7.5908 116.3244 67.0093 69.2109 175.4392 14 Q 4.0990 7.9534 122.4918 55.4991 29.3542 174.7925 15 A 4.4615 7.9753 127.2558 51.2596 21.4831 172.7693 16 A 3.6765 8.7048 125.2807 48.9069 17.5295 177.5645 17 S 4.3303 8.3082 108.4604 58.5728 61.2023 173.3998 18 S 4.6034 7.3282 117.5343 55.9033 62.6800 172.1514 19 P 4.6053 0.0000 0.0000 62.2406 32.3952 176.7741 20 G 4.2373 8.1988 107.0954 45.2314 0.0000 174.6338 21 G 3.4677 8.4663 109.3960 48.1247 0.0000 174.7266 22 A 4.2265 7.7751 127.9341 50.6463 17.9426 176.5316 23 R 4.2374 8.3628 121.1568 55.5559 31.1684 176.4893 24 A 4.4658 8.4955 126.6643 50.8708 19.1753 176.2397 25 V 4.4403 8.1310 115.5734 60.1643 34.0965 175.8748 26 S 4.8333 8.3409 116.8335 56.5295 65.3477 173.3394 27 I 4.5145 8.0849 121.6089 59.7284 39.4318 176.1346 28 V 3.9441 8.5813 119.8847 60.5876 30.1154 175.1734 29 G 4.0522 9.3680 116.2778 44.9867 0.0000 172.6690 30 N 4.7682 7.6493 113.6039 52.7063 38.9644 174.0283 31 Q 4.6644 7.7826 120.0763 55.1905 31.4281 174.0308 32 I 4.5524 7.7225 119.2195 60.0964 40.7691 172.9060 33 D 4.8105 8.3408 125.0097 52.7929 42.6159 177.2774 34 S 4.2870 8.7892 120.4550 61.7698 62.2283 176.5958 35 R 4.0881 8.2330 119.8606 59.0416 29.7888 178.4208 36 E 4.1272 7.8893 117.9973 59.3561 29.8288 179.2161 37 L 4.0204 7.7794 118.2415 57.5124 41.6849 179.0472 38 F 5.1281 7.8631 116.6861 57.3630 40.1733 177.3655 39 T 3.9357 7.7108 115.9719 64.3705 66.7654 174.0029 40 V 3.9555 7.0875 119.3460 62.4235 32.6617 176.9009 41 D 4.8343 7.6056 117.8129 52.4269 42.0806 176.5597 42 R 4.9358 8.4032 116.0652 55.9178 31.3187 174.2149 43 E 5.4590 8.3169 116.6703 54.4769 32.8566 174.1996 44 I 4.6436 9.3682 126.7353 59.4881 41.1333 174.4296 45 V 4.8240 8.3510 124.6990 61.4386 33.8316 175.2021 46 I 4.6112 8.9207 126.9916 59.5595 40.5300 174.1931 47 A 4.8739 8.7066 129.4678 51.4689 19.7041 176.6222 48 H 4.4560 9.3731 121.9570 56.6924 31.0146 172.8988 49 G 4.0742 9.3285 121.6266 44.6446 0.0000 171.3647 50 D 4.6139 7.9540 120.1458 52.7417 44.5850 174.5821 51 D 4.8113 7.7435 117.1043 53.0417 43.1096 174.5148 52 R 5.1832 7.9115 119.4239 54.6325 33.5146 174.7287 53 Y 4.7260 9.2920 120.8587 56.2661 42.1237 174.9166 54 R 5.0265 8.9461 118.5407 54.6281 34.1046 174.6625 55 L 4.9201 9.1509 128.2384 54.1716 43.2572 175.2566 56 R 5.2272 9.0643 127.0945 54.4811 33.2784 173.8327 57 L 4.8225 8.2108 127.2702 53.3823 44.0592 175.6658 58 T 4.2508 8.6806 115.9392 61.3014 70.3940 178.8268 59 S 3.0518 7.8222 113.5445 58.6575 66.9157 172.7325 60 Q 4.4162 7.6777 121.6087 56.3812 31.3804 175.2937 61 N 4.5032 7.8571 114.8510 54.8707 39.2960 176.1310 62 K 4.4599 7.9152 114.8218 55.9801 35.4731 174.0341 63 L 5.2703 8.0771 117.7537 54.6119 43.8334 175.1569 64 I 4.6057 8.8014 112.7476 60.1110 41.5312 172.9081 65 L 5.1487 8.2382 123.8286 54.2279 44.0569 174.9701 66 T 4.6534 8.6054 116.7842 61.2435 71.5130 173.7424 67 K 4.1796 8.4287 124.2018 56.6406 32.9973 176.3109 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 M 8.30 4.39 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 M 8.50 3.89 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 3 T 8.62 4.35 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 4 A 8.20 4.19 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 5 S 8.36 4.52 0.00 3.87 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 6 D 8.60 4.49 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.54 0.00 1.90 1.94 0.00 3.08 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 8 L 8.17 4.34 0.00 1.77 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.08 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 0.00 0.00 0.00 10 A 8.03 4.16 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 11 D 8.22 4.52 0.00 2.63 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 12 P 0.00 4.67 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 T 7.59 3.90 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 14 Q 7.95 4.10 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 15 A 7.98 4.46 1.19 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 0.00 0.00 16 A 8.70 3.68 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 17 S 8.31 4.33 0.00 4.02 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 18 S 7.33 4.60 0.00 3.65 3.78 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 0.00 0.00 0.00 0.00 19 P 0.00 4.61 0.00 2.17 2.04 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 G 8.20 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 0.00 0.00 0.00 0.00 21 G 8.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.23 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 23 R 8.36 4.24 0.00 1.77 1.86 0.00 3.14 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 24 A 8.50 4.47 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 25 V 8.13 4.44 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.90 0.00 0.00 26 S 8.34 4.83 0.00 3.94 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 27 I 8.08 4.51 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 1.40 0.55 0.97 0.00 0.00 28 V 8.58 3.94 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 0.70 0.00 0.00 0.97 0.00 0.00 29 G 9.37 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.77 0.00 2.79 2.83 0.00 0.00 5.78 7.38 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 31 Q 7.78 4.66 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 32 I 7.72 4.55 1.87 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 1.31 0.81 0.92 0.00 0.00 33 D 8.34 4.81 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.29 0.00 4.03 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 35 R 8.23 4.09 0.00 2.10 2.03 0.00 3.30 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 36 E 7.89 4.13 0.00 2.05 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 2.52 2.51 0.00 37 L 7.78 4.02 0.00 1.39 1.14 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.86 5.13 0.00 3.03 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 39 T 7.71 3.94 4.39 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 1.28 0.00 0.00 40 V 7.09 3.96 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 1.00 0.00 0.00 0.93 0.00 0.00 41 D 7.61 4.83 0.00 2.99 2.84 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 0.00 42 R 8.40 4.94 0.00 1.93 1.90 0.00 3.08 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 43 E 8.32 5.46 0.00 2.06 1.82 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 2.26 2.44 0.00 44 I 9.37 4.64 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.16 0.79 0.00 0.00 45 V 8.35 4.82 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 0.83 0.00 0.00 0.95 0.00 0.00 46 I 8.92 4.61 1.95 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 1.16 0.53 0.91 0.00 0.00 47 A 8.71 4.87 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 48 H 9.37 4.46 0.00 3.19 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.33 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.61 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.81 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 5.18 0.00 1.62 1.76 0.00 3.21 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 53 Y 9.29 4.73 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.95 5.03 0.00 1.95 1.85 0.00 3.47 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 55 L 9.15 4.92 0.00 1.82 1.63 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.06 5.23 0.00 1.97 1.75 0.00 3.12 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 57 L 8.21 4.82 0.00 0.27 0.84 0.47 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.68 4.25 4.20 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 1.17 0.00 0.00 59 S 7.82 3.05 0.00 4.05 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 0.00 60 Q 7.68 4.42 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.13 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 61 N 7.86 4.50 0.00 2.76 2.77 0.00 0.00 6.66 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 62 K 7.92 4.46 0.00 1.87 1.87 0.00 1.23 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.34 7.81 63 L 8.08 5.27 0.00 1.69 1.45 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.80 4.61 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.91 0.00 0.00 65 L 8.24 5.15 0.00 1.68 1.62 1.09 0.89 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 66 T 8.61 4.65 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 1.33 0.00 0.00 67 K 8.43 4.18 0.00 1.68 1.54 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.43 7.81