NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3081 8.1593 117.3717 62.8434 70.1142 173.2126 2 P 4.5056 0.0000 0.0000 61.5283 33.2812 173.7644 3 D 4.5532 8.7856 121.0697 55.2263 41.4822 177.2266 4 C 4.9237 8.9653 120.8699 57.7376 44.3139 174.7400 5 V 4.5693 7.3895 117.0709 60.5580 34.4182 173.1434 6 T 4.9181 8.5805 120.9681 61.3891 71.1250 173.8716 7 G 3.9075 7.9621 111.6986 46.7396 0.0000 171.9187 8 K 4.7960 8.4619 118.7108 55.0148 33.3853 177.8757 9 V 3.8092 8.0037 121.3718 62.0492 30.0131 175.1732 10 E 4.1556 8.6377 128.3781 58.9695 30.2055 176.5978 11 Y 5.0210 7.0451 113.5960 56.2822 40.8634 173.5300 12 T 5.0129 8.6190 110.5805 60.0019 72.5754 173.1676 13 K 4.3737 7.6879 122.6944 55.3070 35.7899 173.8535 14 Y 4.7489 8.6875 129.3574 56.7178 39.6187 174.5441 15 N 4.6988 8.3073 124.4403 52.0374 40.3912 175.7872 16 D 4.3969 8.9635 121.2308 57.8505 41.0920 177.6267 17 D 4.6091 7.9515 114.0563 53.0655 39.5179 175.3634 18 D 3.6903 8.2240 118.5984 55.9207 38.8640 173.5157 19 T 4.2845 7.2498 107.3405 59.9092 72.0351 173.1478 20 F 5.2301 8.6719 125.1974 56.9129 42.0425 174.1954 21 T 5.0224 8.4590 122.8291 61.9903 70.9946 173.6857 22 V 4.4850 9.0132 125.8097 60.8390 34.9751 174.0452 23 K 4.3870 8.1839 128.8705 54.6590 33.2950 175.0795 24 V 4.4426 7.9366 127.4544 61.9078 34.7903 175.0595 25 G 3.9890 8.6904 115.2475 46.4037 0.0000 173.5769 26 D 4.6626 8.6399 122.4782 53.3524 40.2929 176.3229 27 K 4.7871 7.4150 119.6120 54.8626 35.7628 175.0573 28 E 4.6950 8.9113 122.9829 54.7121 31.4946 174.7337 29 L 5.4964 8.5371 126.5692 52.8817 45.7621 175.1841 30 F 5.3220 8.3133 113.4656 55.8791 41.7489 173.3429 31 T 4.2890 8.7263 113.8551 60.0560 70.9440 173.7235 32 N 4.6512 8.3423 120.1288 52.2142 37.7659 174.6420 33 R 4.1094 7.6923 120.2869 55.9031 30.7512 177.7393 34 W 4.1534 8.9709 123.6217 59.6482 29.3519 177.7885 35 N 4.6941 8.2727 113.5715 54.7895 38.4692 175.9520 36 L 4.5402 7.5757 117.1639 54.9083 41.8945 178.3275 37 Q 3.2700 7.4666 118.6471 58.7752 28.9650 177.9386 38 S 4.0426 7.9117 115.4605 61.8383 63.0464 176.3895 39 L 3.8120 7.9637 120.6629 58.2632 41.3523 179.7726 40 L 4.3212 7.9171 118.1641 57.6948 41.6092 179.2130 41 L 4.1382 8.3102 120.5180 58.2439 41.9073 179.2482 42 S 4.2241 8.1274 114.6819 61.2581 62.8926 176.3923 43 A 4.0522 8.0037 123.1797 54.7742 17.6136 179.6312 44 Q 3.9201 8.2395 118.4241 59.5035 29.0446 178.2813 45 I 3.8454 7.9579 120.0223 64.4306 37.2283 177.7044 46 T 4.4499 7.9071 107.8096 61.1260 68.7830 174.8419 47 G 3.9516 7.6328 106.7772 47.1085 0.0000 174.3805 48 M 4.3658 7.8264 117.8549 55.4131 33.1341 176.0752 49 T 4.6481 8.5785 117.9273 62.3114 70.6100 174.2564 50 V 5.2604 8.5314 119.8678 58.9677 34.8656 174.9469 51 T 4.8993 8.0086 119.4194 61.8812 71.2901 173.0872 52 I 4.0952 8.9207 128.9298 60.0723 38.8606 174.8832 53 K 4.8732 7.9242 126.0436 55.0742 33.5940 175.6088 54 T 4.4647 8.0699 117.4215 61.5681 70.3138 173.1573 55 N 4.4658 8.9710 122.0865 54.8652 39.4864 176.2373 56 A 4.4675 7.9588 124.2007 50.9148 17.6168 175.7831 57 C 4.7083 7.6804 122.8510 53.8535 41.7560 171.5447 58 H 4.7442 7.2968 118.5182 53.6618 31.1095 173.6576 59 N 4.5880 8.6362 117.8148 55.1235 38.5019 175.8932 60 G 4.0925 9.1013 112.4823 44.8743 0.0000 173.7771 61 G 3.9078 7.6969 107.5682 45.9552 0.0000 173.0072 62 G 3.8422 8.2132 107.4460 44.3173 0.0000 172.4964 63 F 5.0397 7.3494 113.8262 55.9368 40.5075 174.4852 64 S 4.5596 8.8772 112.6996 58.0209 65.8281 174.1164 65 E 4.8380 8.1403 119.2983 54.6306 31.7826 175.3731 66 V 4.6598 8.1255 121.7197 61.4256 35.3413 173.6922 67 I 4.4105 7.6680 124.3551 59.4222 40.4283 174.4539 68 F 4.7498 8.8152 125.7486 56.2620 40.2406 176.1281 69 R 4.3397 8.8368 122.6703 56.1990 30.3974 176.1995 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 4.31 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 1.23 0.00 0.00 2 P 0.00 4.51 0.00 2.17 2.14 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 3 D 8.79 4.55 0.00 2.52 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 4 C 8.97 4.92 0.00 2.87 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 5 V 7.39 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.91 0.00 0.00 6 T 8.58 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 1.16 0.00 0.00 7 G 7.96 3.91 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 0.00 0.00 0.00 8 K 8.46 4.80 0.00 1.75 1.75 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 9 V 8.00 3.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 10 E 8.64 4.16 0.00 2.02 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 0.00 2.60 2.40 0.00 11 Y 7.05 5.02 0.00 2.94 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 12 T 8.62 5.01 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 13 K 7.69 4.37 0.00 1.83 1.50 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.32 1.42 7.81 14 Y 8.69 4.75 0.00 3.33 2.96 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 15 N 8.31 4.70 0.00 2.69 2.59 0.00 0.00 6.15 7.51 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 16 D 8.96 4.40 0.00 2.63 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 17 D 7.95 4.61 0.00 2.73 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 18 D 8.22 3.69 0.00 2.90 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 19 T 7.25 4.28 4.35 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 1.06 0.00 0.00 20 F 8.67 5.23 0.00 2.91 2.90 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 21 T 8.46 5.02 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 1.24 0.00 0.00 22 V 9.01 4.49 2.35 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 0.86 0.00 0.00 1.10 0.00 0.00 23 K 8.18 4.39 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 1.17 7.81 24 V 7.94 4.44 1.93 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 0.79 0.00 0.00 0.81 0.00 0.00 25 G 8.69 3.99 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 0.00 0.00 0.00 26 D 8.64 4.66 0.00 2.79 2.78 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 27 K 7.41 4.79 0.00 1.53 1.70 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 E 8.91 4.70 0.00 2.16 1.84 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 2.19 2.16 0.00 29 L 8.54 5.50 0.00 1.90 1.84 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.31 5.32 0.00 3.19 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 31 T 8.73 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 0.95 0.00 0.00 32 N 8.34 4.65 0.00 2.72 2.86 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 7.69 4.11 0.00 1.83 1.92 0.00 3.26 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 34 W 8.97 4.15 0.00 3.41 3.32 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 0.00 35 N 8.27 4.69 0.00 2.77 2.91 0.00 0.00 6.87 7.85 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 36 L 7.58 4.54 0.00 1.89 1.73 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.47 3.27 0.00 2.10 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.76 0.00 0.00 0.00 0.00 0.00 1.60 2.12 0.00 38 S 7.91 4.04 0.00 3.83 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 39 L 7.96 3.81 0.00 1.73 1.34 0.89 0.52 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 40 L 7.92 4.32 0.00 1.92 1.99 1.37 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.31 4.14 0.00 1.98 1.87 1.13 1.15 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 8.13 4.22 0.00 3.87 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 8.00 4.05 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.92 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 45 I 7.96 3.85 1.90 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 0.76 0.93 0.00 0.00 46 T 7.91 4.45 4.25 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 1.29 0.00 0.00 47 G 7.63 3.95 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 0.00 0.00 0.00 48 M 7.83 4.37 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 49 T 8.58 4.65 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 8.53 5.26 1.74 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 0.78 0.00 0.00 0.82 0.00 0.00 51 T 8.01 4.90 4.11 0.00 0.00 0.00 0.00 0.00 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 52 I 8.92 4.10 1.55 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.22 0.36 0.00 0.00 53 K 7.92 4.87 0.00 1.58 1.67 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.36 7.81 54 T 8.07 4.46 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 1.16 0.00 0.00 55 N 8.97 4.47 0.00 2.74 2.85 0.00 0.00 6.82 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 7.96 4.47 1.17 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 0.00 0.00 57 C 7.68 4.71 0.00 2.91 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 7.30 4.74 0.00 3.32 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.64 4.59 0.00 2.78 2.86 0.00 0.00 7.14 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 9.10 4.09 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 0.00 0.00 0.00 61 G 7.70 3.91 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 0.00 0.00 0.00 62 G 8.21 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 63 F 7.35 5.04 0.00 2.86 2.86 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 64 S 8.88 4.56 0.00 3.83 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 65 E 8.14 4.84 0.00 1.88 1.80 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 2.31 2.28 0.00 66 V 8.13 4.66 1.69 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 -0.01 0.00 0.00 0.79 0.00 0.00 67 I 7.67 4.41 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.86 0.00 0.00 68 F 8.82 4.75 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 69 R 8.84 4.34 0.00 2.05 1.79 0.00 3.11 0.00 0.00 3.18 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