NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4006 8.1749 117.3242 62.7543 69.8457 173.5243 2 P 4.3363 0.0000 0.0000 61.5788 32.7829 174.1555 3 D 4.3936 8.8684 122.3137 55.6878 41.3721 175.8994 4 C 4.8303 9.1394 122.5808 57.7564 44.6610 174.2393 5 V 4.6351 7.2447 116.4753 60.6652 34.3026 172.7073 6 T 4.9637 9.3711 119.1656 60.7735 71.9048 173.9589 7 G 3.9587 7.7890 111.0129 46.2090 0.0000 171.4401 8 K 4.7916 8.1303 119.0025 55.6395 33.3571 177.6049 9 V 3.8692 8.1511 122.6427 62.4782 31.8504 175.5440 10 E 4.2877 8.9101 130.0034 59.2032 30.0830 175.9055 11 Y 5.0538 7.1032 115.2475 56.3149 41.4195 173.0365 12 T 5.0744 8.5474 109.2875 59.8970 72.4922 173.0821 13 K 4.5458 8.3209 122.9688 55.1140 35.6559 173.9799 14 Y 4.8060 8.7691 128.4438 56.7176 40.4958 174.1863 15 N 4.8410 8.1631 123.8156 51.4865 41.0548 175.7970 16 D 4.3759 8.7345 119.7182 56.8535 41.5106 176.4669 17 D 4.6387 7.9360 116.5769 52.9191 39.5999 175.9525 18 D 4.1289 8.1432 117.3717 55.6832 38.7532 173.8916 19 T 4.5544 7.6443 110.5600 60.5402 71.8627 172.9537 20 F 5.3122 8.8938 122.6639 56.9643 42.6889 173.2341 21 T 5.2826 8.6882 122.8894 62.0280 71.2558 173.9043 22 V 4.7717 9.1461 117.6677 59.3463 36.4543 174.4808 23 K 4.6722 8.2686 124.1751 54.6128 34.4806 174.9644 24 V 4.3791 8.0358 127.4183 60.7265 34.7463 174.8113 25 G 3.7129 8.8948 116.2750 47.2987 0.0000 173.6876 26 D 4.8612 8.8568 122.9221 52.3404 39.6182 175.3366 27 K 4.8193 7.9408 119.3374 55.1040 35.4475 174.8515 28 E 4.8943 9.5151 124.7097 55.2153 31.1185 175.3071 29 L 5.5514 8.9945 124.2362 52.8342 46.3238 175.5230 30 F 5.6161 9.2100 115.4325 55.4686 41.7012 173.7746 31 T 4.2883 8.9855 114.4638 60.0265 70.5550 173.7543 32 N 4.7128 8.5343 123.2903 52.6154 38.0697 174.9479 33 R 4.2929 7.6742 119.8943 55.1308 30.0643 176.7637 34 W 4.1565 9.0495 134.0901 60.8104 28.9344 177.3723 35 N 4.1754 8.4453 115.6808 55.9907 38.0083 176.6572 36 L 4.0307 7.8678 119.4207 56.3510 41.8163 179.1992 37 Q 2.8298 7.3140 119.1872 58.6516 28.6056 178.8443 38 S 4.0029 7.2155 114.5185 61.0088 63.2052 176.2981 39 L 3.8261 7.1421 121.8860 57.6190 41.3922 179.4154 40 L 4.2887 8.4493 119.4496 57.6546 41.4938 179.2980 41 L 4.1082 8.0672 120.3773 58.3064 42.0830 179.0687 42 S 4.0871 8.1921 114.8758 61.7443 62.7762 176.6802 43 A 4.0900 8.1197 123.3361 55.0253 17.5684 179.5784 44 Q 3.9319 8.2143 118.1610 59.5177 29.0050 178.4153 45 I 3.7974 7.9300 120.0638 64.0129 37.2615 177.6057 46 T 4.4277 7.9287 107.5905 61.0630 69.2115 175.1583 47 G 3.8419 7.6979 108.8347 46.6369 0.0000 173.8414 48 M 4.4361 7.9291 118.2929 55.1117 33.2038 175.9983 49 T 4.6147 8.4897 117.6775 62.6511 70.5126 174.5741 50 V 4.8364 8.8461 119.2238 59.7490 35.6832 174.7496 51 T 4.8514 8.5736 119.9792 61.9088 71.4867 173.0499 52 I 4.3288 8.4894 128.4015 59.8601 38.8881 174.8727 53 K 4.8965 8.0007 126.9031 55.0738 33.6452 175.7622 54 T 4.3347 7.8967 116.7708 61.6675 70.3084 173.1794 55 N 4.4180 9.1146 123.7414 55.2980 39.6904 175.9620 56 A 4.4270 7.7449 124.6566 51.0267 17.6426 177.4487 57 C 4.7329 7.5365 123.9512 53.8295 43.3627 171.5257 58 H 4.8250 7.3807 117.7648 53.6110 31.0901 173.7559 59 N 4.5283 8.6955 117.9169 55.3329 38.5578 175.9279 60 G 4.0804 9.6006 111.7145 45.0857 0.0000 173.9414 61 G 3.8377 7.6580 107.9071 45.7184 0.0000 173.5309 62 G 3.7147 8.4849 109.6678 44.8652 0.0000 172.6682 63 F 5.1787 8.0697 116.3924 55.1498 41.4061 174.8416 64 S 4.4734 8.5916 109.9296 58.1978 64.6850 173.2148 65 E 4.8221 8.3425 120.3512 55.0108 33.1641 174.6663 66 V 4.6921 8.3634 122.8600 61.2800 35.0879 173.8538 67 I 4.4051 8.8063 128.2102 59.6235 39.4389 174.3814 68 F 5.0476 8.8836 125.5779 55.9060 40.7648 176.0525 69 R 4.3394 9.0797 122.5516 56.3028 30.7531 175.5593 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 T 8.17 4.40 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 1.22 0.00 0.00 2 P 0.00 4.34 0.00 2.13 1.94 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 3 D 8.87 4.39 0.00 2.50 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 4.83 0.00 2.85 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 5 V 7.24 4.64 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 0.62 0.00 0.00 0.87 0.00 0.00 6 T 9.37 4.96 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 1.21 0.00 0.00 7 G 7.79 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 0.00 0.00 0.00 8 K 8.13 4.79 0.00 1.64 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.42 7.81 9 V 8.15 3.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 10 E 8.91 4.29 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 11 Y 7.10 5.05 0.00 3.04 3.01 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 0.00 0.00 0.00 12 T 8.55 5.07 3.65 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 0.00 0.00 0.00 1.35 0.00 0.00 13 K 8.32 4.55 0.00 1.84 1.59 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.38 7.81 14 Y 8.77 4.81 0.00 3.37 2.92 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 15 N 8.16 4.84 0.00 2.73 2.59 0.00 0.00 6.25 7.58 0.00 0.00 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 D 8.73 4.38 0.00 2.64 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 17 D 7.94 4.64 0.00 2.76 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 18 D 8.14 4.13 0.00 2.92 2.98 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 0.00 0.00 0.00 0.00 19 T 7.64 4.55 4.58 0.00 0.00 0.00 0.00 0.00 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 20 F 8.89 5.31 0.00 3.03 2.85 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 21 T 8.69 5.28 4.21 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 1.31 0.00 0.00 22 V 9.15 4.77 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 0.84 0.00 0.00 0.85 0.00 0.00 23 K 8.27 4.67 0.00 0.85 0.74 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.88 1.09 7.81 24 V 8.04 4.38 1.91 0.00 0.00 0.00 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 0.77 0.00 0.00 25 G 8.89 3.71 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 0.00 0.00 0.00 26 D 8.86 4.86 0.00 2.74 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 K 7.94 4.82 0.00 1.59 1.66 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.46 7.81 28 E 9.52 4.89 0.00 1.93 1.92 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 2.24 2.32 0.00 29 L 8.99 5.55 0.00 1.52 1.78 0.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.21 5.62 0.00 3.12 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 31 T 8.99 4.29 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 1.14 0.00 0.00 32 N 8.53 4.71 0.00 2.90 3.03 0.00 0.00 6.10 7.66 0.00 0.00 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 R 7.67 4.29 0.00 1.83 1.94 0.00 3.31 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 34 W 9.05 4.16 0.00 3.44 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 35 N 8.45 4.18 0.00 2.83 2.89 0.00 0.00 7.18 6.74 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 36 L 7.87 4.03 0.00 1.80 1.75 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.31 2.83 0.00 1.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.59 2.02 0.00 38 S 7.22 4.00 0.00 3.87 3.80 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 39 L 7.14 3.83 0.00 1.92 1.57 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.45 4.29 0.00 1.96 2.03 1.32 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.07 4.11 0.00 1.97 1.67 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.19 4.09 0.00 3.98 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 43 A 8.12 4.09 1.63 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 44 Q 8.21 3.93 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 45 I 7.93 3.80 2.01 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 1.60 0.77 0.92 0.00 0.00 46 T 7.93 4.43 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 1.24 0.00 0.00 47 G 7.70 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 0.00 0.00 0.00 0.00 48 M 7.93 4.44 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 49 T 8.49 4.61 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 1.18 0.00 0.00 50 V 8.85 4.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.84 0.00 0.00 51 T 8.57 4.85 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 1.12 0.00 0.00 52 I 8.49 4.33 1.53 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.17 0.00 0.00 53 K 8.00 4.90 0.00 1.60 1.69 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.28 7.81 54 T 7.90 4.33 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 1.17 0.00 0.00 55 N 9.11 4.42 0.00 2.76 2.86 0.00 0.00 6.88 7.35 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 56 A 7.74 4.43 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 57 C 7.54 4.73 0.00 2.91 3.02 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 58 H 7.38 4.83 0.00 3.37 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.70 4.53 0.00 2.78 2.87 0.00 0.00 7.05 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 60 G 9.60 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.66 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 0.00 0.00 0.00 0.00 62 G 8.48 3.71 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 0.00 0.00 0.00 63 F 8.07 5.18 0.00 3.05 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 64 S 8.59 4.47 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.34 4.82 0.00 2.09 1.83 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 2.30 2.29 0.00 66 V 8.36 4.69 1.78 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 -0.03 0.00 0.00 1.01 0.00 0.00 67 I 8.81 4.41 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.90 0.00 0.00 68 F 8.88 5.05 0.00 2.86 2.94 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 69 R 9.08 4.34 0.00 1.70 1.77 0.00 3.13 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00