NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3561 8.3049 118.1962 54.3097 32.4899 174.7442 2 K 3.6931 8.4797 118.9661 56.4680 31.7418 176.0311 3 R 4.3495 8.4397 123.8163 55.4207 32.1673 176.5190 4 T 3.9308 8.4250 112.8783 64.2364 67.4269 173.7576 5 W 4.7517 8.1268 131.0018 56.2200 29.7759 175.1669 6 Q 4.1579 7.6285 125.5534 52.7870 28.1294 173.7902 7 P 3.4010 0.0000 0.0000 62.0998 32.4122 176.2059 8 N 4.6585 7.9364 118.8807 51.6267 42.0109 175.3159 9 R 3.9484 8.7972 125.4770 59.4723 30.3103 178.5639 10 R 3.8242 8.0669 118.0066 59.3124 30.0817 177.9202 11 K 3.8519 7.9286 118.4258 59.7959 32.1893 177.8857 12 R 3.9942 8.0723 118.0496 59.7811 30.0814 178.4492 13 A 4.0544 8.0208 120.2356 55.0666 18.1684 179.5123 14 K 4.0168 8.6524 117.8618 58.9431 32.2999 178.2877 15 T 4.3180 7.9435 108.8450 62.7647 69.8398 175.1006 16 H 4.7834 8.2175 115.9911 54.9646 29.6426 175.2159 17 G 4.4676 7.7104 108.8557 44.7352 0.0000 174.5698 18 F 4.0810 8.8943 121.8088 61.0717 39.1016 177.8222 19 R 4.0901 8.1510 116.5134 59.2053 30.3165 178.3853 20 A 4.1341 7.9506 120.0863 55.1962 18.5785 179.6150 21 R 3.8258 8.3201 117.0364 59.7876 29.9086 179.1693 22 M 4.0227 7.4442 116.5519 57.6899 31.9638 178.4220 23 R 3.9525 7.5344 118.3231 57.9258 30.8079 176.2956 24 T 4.5676 7.1290 112.4020 59.4639 69.3868 173.3044 25 P 4.3326 0.0000 0.0000 65.8614 31.1408 179.1279 26 G 3.6656 8.0823 105.3615 47.6079 0.0000 176.0329 27 G 3.8993 7.7792 109.1545 46.9711 0.0000 175.9270 28 R 3.8706 8.2018 120.5790 58.8963 29.9765 179.0933 29 K 3.8913 7.8255 117.9689 59.5436 32.0714 179.2375 30 V 3.5610 7.3947 118.3387 66.0268 31.2609 177.9796 31 L 3.9070 7.6607 117.9737 57.7466 41.4837 179.1610 32 K 3.8615 8.0151 119.3733 59.7739 32.0308 178.7366 33 R 3.8788 8.2435 118.1297 59.3600 30.1776 178.8708 34 R 3.9343 8.4821 118.0229 59.7104 29.8248 179.3163 35 R 3.9642 8.8262 118.4321 59.3670 29.8807 178.9722 36 Q 3.9848 8.2684 118.5500 59.0717 29.1218 177.8597 37 K 4.1483 8.3466 120.4040 57.6800 32.2397 177.4525 38 G 4.1228 7.6581 106.2215 45.3767 0.0000 173.7482 39 R 4.0879 7.5260 117.6563 55.9017 30.5139 177.5555 40 W 4.5227 8.7189 120.7571 58.6815 29.7299 176.6233 41 R 4.5624 7.7867 116.3834 53.8857 30.8064 175.7019 42 L 4.2586 8.5781 122.6464 56.4747 41.9348 177.4077 43 T 4.3557 7.4834 110.0017 60.3004 70.6633 170.9744 44 P 4.2996 0.0000 0.0000 62.9599 31.9381 176.1603 45 A 4.3969 8.2775 123.7049 51.8184 19.6654 177.8527 46 V 4.2572 7.9639 119.4984 62.4003 33.3838 175.2693 47 R 4.3795 8.1436 129.2408 52.8034 28.6931 176.6246 48 K 3.9821 7.8120 121.7020 57.0806 32.3433 174.2151 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 4.36 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 8.48 3.69 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.44 4.35 0.00 1.86 1.96 0.00 3.40 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 4 T 8.42 3.93 4.30 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 1.29 0.00 0.00 5 W 8.13 4.75 0.00 3.35 3.07 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 6 Q 7.63 4.16 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 7 P 0.00 3.40 0.00 1.89 1.91 0.00 3.43 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.40 0.00 8 N 7.94 4.66 0.00 2.57 2.48 0.00 0.00 7.15 7.65 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 9 R 8.80 3.95 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 10 R 8.07 3.82 0.00 1.87 1.89 0.00 3.21 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 7.93 3.85 0.00 1.87 1.95 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.62 7.81 12 R 8.07 3.99 0.00 2.18 2.16 0.00 3.52 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.02 4.05 1.44 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 0.00 0.00 0.00 14 K 8.65 4.02 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 T 7.94 4.32 4.16 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 1.24 0.00 0.00 16 H 8.22 4.78 0.00 3.20 3.38 0.00 5.66 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 17 G 7.71 4.47 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 18 F 8.89 4.08 0.00 3.24 3.05 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 19 R 8.15 4.09 0.00 1.91 2.04 0.00 3.55 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 20 A 7.95 4.13 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 21 R 8.32 3.83 0.00 1.68 1.82 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 22 M 7.44 4.02 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.85 0.00 23 R 7.53 3.95 0.00 1.80 2.05 0.00 3.23 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 24 T 7.13 4.57 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 25 P 0.00 4.33 0.00 2.29 2.28 0.00 3.74 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 2.06 2.02 0.00 26 G 8.08 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 28 R 8.20 3.87 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 29 K 7.83 3.89 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 V 7.39 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 31 L 7.66 3.91 0.00 1.86 1.67 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.02 3.86 0.00 1.83 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 R 8.24 3.88 0.00 2.06 1.96 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 34 R 8.48 3.93 0.00 2.03 2.05 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 35 R 8.83 3.96 0.00 2.01 2.01 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 36 Q 8.27 3.98 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 K 8.35 4.15 0.00 1.82 1.97 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 7.66 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 39 R 7.53 4.09 0.00 1.92 1.94 0.00 3.30 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 40 W 8.72 4.52 0.00 3.28 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 41 R 7.79 4.56 0.00 1.88 2.08 0.00 3.22 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 42 L 8.58 4.26 0.00 1.79 1.84 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.48 4.36 4.36 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 1.37 0.00 0.00 44 P 0.00 4.30 0.00 2.14 2.02 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 45 A 8.28 4.40 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.26 2.12 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 0.83 0.00 0.00 1.00 0.00 0.00 47 R 8.14 4.38 0.00 1.86 1.89 0.00 3.34 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 48 K 7.81 3.98 0.00 1.68 1.62 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.25 7.81