NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.4385 8.3644 120.5303 54.3456 43.5822 175.2915 25 H 3.8943 8.0113 116.2081 55.5715 28.0826 173.7193 26 H 4.1589 8.4728 120.5953 58.9595 29.9025 176.4097 27 Y 3.0606 6.8305 118.5260 60.4749 37.2642 178.3456 28 A 4.3169 7.2614 120.9243 54.9478 18.4769 178.5513 29 M 4.3906 8.1412 115.2224 56.0397 32.6060 177.4603 30 W 4.4728 8.7625 120.2384 57.0876 29.6255 177.7642 31 D 4.4553 8.1317 119.6624 56.6417 38.6013 178.5331 32 A 3.9481 7.9851 121.8136 54.5367 18.5177 179.0801 33 A 3.8549 7.9644 118.8574 55.4979 17.9713 179.0106 34 Y 3.9913 8.0329 117.8611 61.0208 38.7129 178.5941 35 V 3.2785 7.6730 117.5254 65.2588 31.7176 177.2689 36 L 4.3300 7.8908 117.5643 54.9725 41.7727 177.5846 37 G 3.9185 7.4236 106.5800 45.4531 0.0000 173.9640 38 A 4.4021 7.7707 120.4612 51.6393 19.4297 178.4870 39 L 4.1128 7.5059 116.7332 53.8327 42.6348 177.7845 40 S 4.3122 8.3414 117.2825 58.0535 64.9554 175.0773 41 A 4.0329 8.6784 124.3319 55.6486 18.0990 180.0637 42 A 4.0285 7.9551 118.5494 55.4747 18.5540 179.4852 43 D 4.6383 8.0996 117.2289 57.3768 40.8204 178.9723 44 R 4.2658 8.6248 119.9238 59.5113 30.0168 178.8941 45 R 3.9819 8.0187 117.7849 59.1176 30.0579 178.4017 46 E 3.9373 8.2206 118.9276 59.5019 29.6372 178.8125 47 F 3.8271 8.8957 120.9138 61.1593 39.5113 176.8166 48 E 3.6508 8.6717 118.4986 59.3251 29.0160 179.3077 49 A 3.8640 7.8635 120.0231 55.3497 18.8790 178.8026 50 H 3.9018 7.8922 116.8139 59.2520 29.7818 177.4609 51 L 3.5608 7.5935 120.9101 57.4776 41.0842 179.3130 52 A 4.1176 7.5366 119.5698 53.9098 18.2080 178.3375 53 G 3.8558 7.4204 103.6876 44.9421 0.0000 173.2496 54 C 4.4861 7.5514 119.3801 55.9515 33.5553 172.5632 55 P 4.3329 0.0000 0.0000 64.7205 30.9863 178.3928 56 E 4.0148 8.0460 116.7636 59.6779 29.8480 178.7718 57 C 4.2872 8.0452 117.3820 62.2707 28.2297 176.0260 58 R 3.9828 8.0126 120.0423 59.2996 29.6627 179.3455 59 G 3.6331 8.1223 105.0180 47.4715 0.0000 175.6816 60 A 4.0416 7.8474 122.2767 55.3403 18.6879 179.9318 61 V 3.8784 8.3705 111.3598 64.8475 31.7467 178.9547 62 T 3.9574 8.0612 115.6674 66.7270 68.0220 176.4953 63 E 4.1585 8.2288 119.7309 58.5738 29.8237 178.2858 64 L 4.5328 7.6422 117.1768 54.9639 42.0370 177.6325 65 C 4.5309 7.6850 113.3149 59.6927 30.0936 174.8591 66 G 3.8515 7.9066 107.5661 45.5244 0.0000 175.5918 67 V 3.7143 7.7678 121.2306 65.4073 31.8499 175.8483 68 P 4.2094 0.0000 0.0000 65.6954 30.8906 178.0566 69 A 4.0107 8.0417 117.9325 55.4719 18.5663 179.2270 70 L 4.1268 7.6414 117.2515 57.7162 41.9196 179.4272 71 L 4.0325 8.3390 119.6892 57.8904 41.3439 179.6670 72 S 4.2520 8.0220 112.8022 60.9051 62.9981 176.1034 73 Q 4.1367 7.8025 120.7535 57.0588 28.5563 176.0243 74 L 4.9274 7.1664 118.0039 52.5726 45.2345 175.4587 75 D 5.0032 8.7850 120.3666 51.3962 43.0732 177.4778 76 R 3.9747 8.4121 116.4095 59.4699 29.0699 178.5144 77 D 4.2950 8.1254 119.4081 57.3394 40.7790 177.8531 78 E 3.9601 8.0341 117.7391 59.7982 29.7411 179.8139 79 V 3.6711 7.7408 117.1169 66.0412 31.8827 177.7866 80 A 3.9385 8.4091 120.6718 55.2789 17.8647 179.3888 81 A 4.0443 8.2353 118.8506 55.5245 18.5304 179.5089 82 I 3.7626 7.7586 117.4591 64.3023 37.2092 176.5114 83 S 4.3474 7.5473 118.1424 58.6755 62.7926 173.8284 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 24 D 8.36 4.44 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.01 3.89 0.00 3.34 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.47 4.16 0.00 3.34 3.40 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 6.83 3.06 0.00 2.52 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.26 4.32 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 29 M 8.14 4.39 0.00 2.09 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 30 W 8.76 4.47 0.00 2.79 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 31 D 8.13 4.46 0.00 3.01 3.12 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 32 A 7.99 3.95 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 33 A 7.96 3.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 3.99 0.00 2.87 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 35 V 7.67 3.28 2.25 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 0.91 0.00 0.00 1.13 0.00 0.00 36 L 7.89 4.33 0.00 1.61 1.67 0.90 0.88 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 37 G 7.42 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.40 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 4.11 0.00 1.65 1.64 0.51 1.07 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 40 S 8.34 4.31 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.03 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 42 A 7.96 4.03 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 43 D 8.10 4.64 0.00 2.91 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 44 R 8.62 4.27 0.00 2.08 2.20 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.05 0.00 45 R 8.02 3.98 0.00 1.93 2.01 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 46 E 8.22 3.94 0.00 2.43 2.47 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 2.40 2.46 0.00 47 F 8.90 3.83 0.00 3.59 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 48 E 8.67 3.65 0.00 2.28 1.95 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 0.00 2.31 2.47 0.00 49 A 7.86 3.86 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 50 H 7.89 3.90 0.00 2.32 2.53 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.59 3.56 0.00 1.41 1.36 0.23 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.54 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 53 G 7.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.55 4.49 0.00 2.57 2.47 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 55 P 0.00 4.33 0.00 2.17 2.06 0.00 3.59 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 2.07 2.09 0.00 56 E 8.05 4.01 0.00 2.24 2.24 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 2.39 2.40 0.00 57 C 8.05 4.29 0.00 2.94 3.09 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 0.00 0.00 0.00 0.00 58 R 8.01 3.98 0.00 1.95 1.95 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 59 G 8.12 3.63 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 0.00 0.00 0.00 60 A 7.85 4.04 1.52 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 0.00 0.00 61 V 8.37 3.88 2.33 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 1.40 0.00 0.00 1.10 0.00 0.00 62 T 8.06 3.96 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 1.24 0.00 0.00 63 E 8.23 4.16 0.00 2.16 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 0.00 2.37 2.51 0.00 64 L 7.64 4.53 0.00 1.71 1.73 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.69 4.53 0.00 3.25 3.26 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 66 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.77 3.71 2.21 0.00 0.00 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 0.00 0.00 0.98 0.00 0.00 68 P 0.00 4.21 0.00 2.18 2.08 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 69 A 8.04 4.01 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 70 L 7.64 4.13 0.00 1.79 1.72 0.93 0.59 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 71 L 8.34 4.03 0.00 2.00 1.72 0.92 0.50 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 72 S 8.02 4.25 0.00 4.03 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 73 Q 7.80 4.14 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 74 L 7.17 4.93 0.00 1.62 1.54 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.79 5.00 0.00 2.82 2.76 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 0.00 0.00 0.00 0.00 76 R 8.41 3.97 0.00 2.05 2.23 0.00 2.96 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 77 D 8.13 4.29 0.00 2.96 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 78 E 8.03 3.96 0.00 2.08 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 0.00 2.35 2.34 0.00 79 V 7.74 3.67 2.19 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 1.09 0.00 0.00 0.98 0.00 0.00 80 A 8.41 3.94 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 81 A 8.24 4.04 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 82 I 7.76 3.76 2.05 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 1.52 0.75 0.91 0.00 0.00 83 S 7.55 4.35 0.00 3.92 3.76 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 0.00 0.00 0.00 0.00