NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3343 8.1593 117.3733 62.4943 70.0229 173.4458 2 P 4.2955 0.0000 0.0000 62.1524 32.5517 174.0800 3 D 4.3944 8.8988 121.7130 55.6049 41.5064 176.7574 4 C 4.8375 8.9343 119.9732 57.8062 46.6542 174.2545 5 V 4.7060 7.3960 109.9525 59.9695 36.1132 173.8420 6 T 4.9184 8.9610 118.4168 61.0039 72.0329 173.9232 7 G 3.9399 8.0427 111.6791 46.2915 0.0000 171.9472 8 K 4.6154 8.2836 119.0456 55.6872 32.7067 178.0426 9 V 3.8898 8.0358 121.0577 62.2680 30.4842 175.2335 10 E 4.3014 8.7642 129.6571 59.1472 29.9855 176.1827 11 Y 5.0518 7.2485 114.9721 56.3010 41.1964 173.2465 12 T 5.0076 8.6093 109.8464 59.8237 72.3330 173.1640 13 K 4.4947 8.4787 123.2361 54.7814 35.3338 174.4745 14 Y 4.4708 8.7762 129.0625 57.6366 40.1120 173.9622 15 N 4.9404 8.1715 123.8027 51.3252 41.1639 175.7552 16 D 4.4633 8.9096 120.3317 56.7371 41.4657 176.5405 17 D 4.8205 7.9585 117.0933 53.0957 39.6806 176.3215 18 D 4.0574 8.4019 116.0235 55.0282 39.3502 173.9036 19 T 4.5472 7.6144 110.6417 61.1847 71.1388 173.1978 20 F 5.1938 8.9903 123.0955 56.9681 42.5046 173.4553 21 T 5.3842 8.7560 123.4228 62.1240 71.3516 174.1015 22 V 4.7097 8.7320 123.0788 59.9717 35.4901 173.7523 23 K 4.6773 8.3871 125.0023 54.6081 34.3464 174.9102 24 V 4.3477 8.0424 127.2238 61.3332 34.6999 174.9424 25 G 3.6728 8.8115 116.1304 47.3689 0.0000 173.5768 26 D 4.8058 8.7117 124.4472 52.6929 39.8558 175.9993 27 K 4.8313 7.8132 118.8870 54.9844 35.6233 174.4929 28 E 4.9441 9.1468 125.3334 54.7372 31.4339 174.7112 29 L 5.6302 8.8430 125.9497 53.0159 46.7230 175.2609 30 F 5.6873 9.3355 115.0219 55.5151 41.8576 173.7083 31 T 4.5360 9.0727 114.0746 58.9052 70.2379 173.7675 32 N 4.7385 8.7421 124.6501 53.0030 37.9677 174.7618 33 R 4.3753 7.6822 119.6916 55.2910 30.7157 177.4423 34 W 4.3116 8.9482 124.2150 59.7565 29.4967 177.9544 35 N 4.2594 8.5169 116.0905 56.7222 37.8759 176.6392 36 L 4.0743 7.9129 118.7026 56.4082 41.8294 179.0849 37 Q 2.9508 8.0202 119.3313 58.8248 28.6677 178.9780 38 S 4.2101 7.7759 113.9958 60.6926 63.3328 176.2770 39 L 3.8548 7.2886 122.0053 57.7906 41.3158 179.2843 40 L 4.3397 8.4037 119.3331 57.8243 41.6160 179.3683 41 L 4.1529 8.1385 120.4006 58.2235 42.1428 179.2240 42 S 4.1894 8.2792 115.1851 61.3357 62.7725 176.4624 43 A 4.1340 8.2527 123.7683 54.9085 17.9223 179.4920 44 Q 3.9318 8.4534 118.3053 59.5257 29.0028 178.5763 45 I 3.7937 7.7316 119.6240 64.2286 37.2997 177.7269 46 T 4.3965 7.7443 106.9954 61.0724 69.1248 175.0786 47 G 3.8940 7.7510 109.4670 46.7857 0.0000 173.9680 48 M 4.3069 7.8067 118.3782 55.4677 33.1543 176.1884 49 T 4.5844 8.1387 118.7132 62.5827 70.2047 174.4998 50 V 4.8393 8.7318 119.9789 59.7632 35.5499 174.7969 51 T 4.8743 8.4123 118.7394 61.8832 71.8050 173.0838 52 I 4.5927 8.3718 126.8263 59.4513 39.6527 174.6041 53 K 4.9501 8.1649 126.3504 55.1486 33.5822 175.7879 54 T 4.3253 7.8695 116.8008 61.6423 70.3759 173.1734 55 N 4.4372 9.2012 124.3078 54.9199 39.6495 175.7778 56 A 4.4718 7.7473 124.4846 50.9810 18.0518 177.1567 57 C 4.7527 7.5458 125.5761 54.0587 41.3322 171.5651 58 H 5.0134 7.1750 117.4947 53.4469 31.6555 173.5378 59 N 4.7317 8.6015 118.0228 55.1648 38.6883 175.9703 60 G 4.0701 9.2832 111.4953 45.1652 0.0000 173.9337 61 G 3.9753 7.5384 107.3230 45.3037 0.0000 173.5527 62 G 3.8193 8.4163 108.0763 45.0210 0.0000 172.9432 63 F 5.1918 7.9467 114.8327 55.6363 41.2688 174.9249 64 S 4.5348 8.7893 111.5878 57.4185 64.6915 173.1675 65 E 4.7694 8.2728 121.8679 54.7983 31.5314 174.9810 66 V 4.7511 8.4083 123.5425 61.0289 35.0666 174.2717 67 I 4.4407 8.6762 127.9007 59.5243 39.7373 174.3351 68 F 4.9745 8.9184 125.8553 55.9204 40.3673 176.1073 69 R 4.3470 8.6013 122.0128 56.2535 30.5208 175.8808 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 8.16 4.33 4.23 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 1.20 0.00 0.00 2 P 0.00 4.30 0.00 2.17 2.16 0.00 3.70 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 2.05 0.00 3 D 8.90 4.39 0.00 2.53 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 4 C 8.93 4.84 0.00 2.89 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 7.40 4.71 1.98 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 0.61 0.00 0.00 0.77 0.00 0.00 6 T 8.96 4.92 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 1.22 0.00 0.00 7 G 8.04 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 0.00 0.00 0.00 8 K 8.28 4.62 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 V 8.04 3.89 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 0.80 0.00 0.00 0.95 0.00 0.00 10 E 8.76 4.30 0.00 1.95 1.81 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 0.00 2.45 2.31 0.00 11 Y 7.25 5.05 0.00 3.04 2.99 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 12 T 8.61 5.01 3.58 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 1.41 0.00 0.00 13 K 8.48 4.49 0.00 1.78 1.62 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.38 7.81 14 Y 8.78 4.47 0.00 3.30 2.91 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 0.00 0.00 0.00 0.00 15 N 8.17 4.94 0.00 2.74 2.61 0.00 0.00 6.24 7.36 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 16 D 8.91 4.46 0.00 2.64 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 17 D 7.96 4.82 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 18 D 8.40 4.06 0.00 3.13 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.55 4.56 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 1.37 0.00 0.00 20 F 8.99 5.19 0.00 2.99 2.93 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 21 T 8.76 5.38 4.32 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 1.32 0.00 0.00 22 V 8.73 4.71 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 0.58 0.00 0.00 0.94 0.00 0.00 23 K 8.39 4.68 0.00 0.79 0.74 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 1.15 7.81 24 V 8.04 4.35 1.89 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 0.81 0.00 0.00 0.78 0.00 0.00 25 G 8.81 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 26 D 8.71 4.81 0.00 2.78 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 27 K 7.81 4.83 0.00 1.62 1.66 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.44 7.81 28 E 9.15 4.94 0.00 2.08 1.85 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 2.24 2.26 0.00 29 L 8.84 5.63 0.00 1.65 1.83 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.34 5.69 0.00 3.06 3.08 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 31 T 9.07 4.54 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 1.08 0.00 0.00 32 N 8.74 4.74 0.00 2.95 3.05 0.00 0.00 6.17 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 7.68 4.38 0.00 1.86 1.92 0.00 3.24 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 34 W 8.95 4.31 0.00 3.35 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.26 0.00 2.77 2.94 0.00 0.00 7.17 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 7.91 4.07 0.00 1.89 1.85 1.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.02 2.95 0.00 1.93 1.53 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 1.57 2.19 0.00 38 S 7.78 4.21 0.00 4.00 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 39 L 7.29 3.85 0.00 1.94 1.37 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.40 4.34 0.00 2.18 2.08 1.37 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.14 4.15 0.00 2.03 1.72 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.28 4.19 0.00 4.08 3.88 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 43 A 8.25 4.13 1.65 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 0.00 0.00 0.00 44 Q 8.45 3.93 0.00 2.22 2.35 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 2.42 2.66 0.00 45 I 7.73 3.79 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 0.93 0.00 0.00 46 T 7.74 4.40 4.26 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 1.28 0.00 0.00 47 G 7.75 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 0.00 0.00 0.00 48 M 7.81 4.31 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 49 T 8.14 4.58 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 1.19 0.00 0.00 50 V 8.73 4.84 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 0.66 0.00 0.00 0.82 0.00 0.00 51 T 8.41 4.87 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 52 I 8.37 4.59 1.54 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.61 0.32 0.00 0.00 53 K 8.16 4.95 0.00 1.60 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.30 7.81 54 T 7.87 4.33 4.29 0.00 0.00 0.00 0.00 0.00 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 55 N 9.20 4.44 0.00 2.73 2.86 0.00 0.00 6.85 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 7.75 4.47 1.22 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 0.00 0.00 0.00 57 C 7.55 4.75 0.00 3.08 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 58 H 7.17 5.01 0.00 3.37 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.60 4.73 0.00 2.78 2.86 0.00 0.00 7.09 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 9.28 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 61 G 7.54 3.98 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 0.00 0.00 0.00 62 G 8.42 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 0.00 0.00 0.00 63 F 7.95 5.19 0.00 2.95 2.95 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 0.00 0.00 0.00 64 S 8.79 4.53 0.00 3.88 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 65 E 8.27 4.77 0.00 2.14 1.90 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 2.32 2.29 0.00 66 V 8.41 4.75 1.81 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 0.04 0.00 0.00 1.06 0.00 0.00 67 I 8.68 4.44 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.91 0.00 0.00 68 F 8.92 4.97 0.00 2.88 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 8.60 4.35 0.00 1.84 1.79 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 1.62 0.00