NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2623 8.1593 112.9306 60.6364 68.9509 172.5801 2 W 4.5859 7.7968 124.2646 54.9191 29.6933 175.3262 3 L 4.5214 6.4718 120.4111 52.1419 42.4987 174.6657 4 P 4.3472 0.0000 0.0000 64.9908 32.0169 177.0452 5 T 4.4633 7.3179 105.6872 60.8619 70.8654 173.1022 6 L 4.3110 8.2247 121.0271 54.8728 42.3917 177.0471 7 V 3.9707 7.5864 119.4599 62.5407 31.4672 174.9680 8 T 4.7699 8.5258 123.5769 61.6108 71.1180 174.7281 9 A 4.2617 9.0681 128.1568 55.0107 18.9388 178.0533 10 T 4.3486 7.4011 104.9259 58.4987 71.7552 172.9028 11 P 2.0000 0.0000 0.0000 65.3763 30.9856 178.6315 12 Q 3.8897 7.5906 117.5456 59.1576 29.0033 177.8988 13 E 4.2026 8.3140 119.5586 58.6661 29.4382 179.5719 14 G 3.9392 7.8590 105.9674 48.0036 0.0000 175.5219 15 F 4.2091 8.5470 123.6013 60.9260 39.3616 177.0065 16 D 4.4558 8.1922 118.9832 57.1668 40.7395 178.4341 17 L 4.0889 8.4319 120.9085 57.9001 42.0793 178.8446 18 A 4.0447 8.5512 121.4986 55.0961 18.1716 179.7514 19 V 3.5324 8.0289 116.9735 65.4172 31.4583 178.2749 20 K 3.9726 7.7861 119.3084 59.5789 32.0513 178.6254 21 L 3.9911 7.8019 118.8689 58.1638 41.0780 179.9518 22 S 4.1380 7.5716 114.3411 61.4432 62.7300 176.8711 23 R 4.1215 7.6432 121.0905 58.8503 29.9132 178.9091 24 I 3.4722 7.9878 113.1632 63.9058 37.0443 177.9285 25 A 3.8905 7.6553 122.4034 55.0032 18.0452 179.8718 26 V 3.4923 7.1562 116.9195 65.8659 31.1401 178.0215 27 K 3.8113 8.3790 119.7541 59.5609 31.6756 178.9062 28 K 3.9459 8.0369 118.3096 59.5445 32.1560 179.1710 29 T 4.3561 7.4516 108.4515 62.5818 69.3724 174.0999 30 Q 4.4004 8.1757 122.5779 53.3853 29.3369 172.7881 31 P 4.4937 0.0000 0.0000 63.4197 32.4465 177.0122 32 D 4.4355 8.8686 119.0990 53.6605 40.7706 175.7240 33 A 3.9974 8.5359 129.9798 55.1274 18.2659 178.5844 34 Q 3.8767 8.2830 117.8271 59.6890 29.1476 179.2473 35 V 3.7067 7.9827 112.6884 64.2119 31.6241 178.4853 36 R 3.9556 7.8383 117.7738 59.3945 30.0005 178.7899 37 D 4.3554 8.1455 118.5286 57.6111 40.4375 178.7308 38 T 3.8793 7.6550 115.9828 66.9385 68.5433 176.6783 39 L 4.2995 8.1809 120.6840 57.3768 41.6057 179.3101 40 R 3.8690 8.1385 118.7615 59.6326 29.8247 178.4504 41 A 4.3396 7.5704 119.2926 53.8802 17.8252 179.3563 42 V 3.8066 7.1223 117.7209 65.8926 31.8071 177.6380 43 Y 4.5369 8.0416 117.5691 59.4799 38.0432 177.3329 44 E 3.1990 7.6596 118.7364 57.9556 29.6947 178.0956 45 K 4.3820 7.2753 117.7763 56.5287 33.1479 175.7503 46 D 4.7362 8.7144 121.2420 52.8069 42.4745 176.4285 47 A 3.9691 8.5164 129.2831 55.6300 18.6023 178.9724 48 N 4.3470 8.1433 114.6153 56.1459 38.4223 177.5247 49 A 4.1072 8.0984 121.8898 54.8768 18.8132 179.4338 50 L 3.7431 8.0316 117.5217 58.0013 41.6694 179.8310 51 I 3.7403 7.8047 119.3015 64.1618 36.7605 178.3619 52 A 3.9975 7.5606 120.6664 54.8484 18.4791 179.3546 53 V 3.6092 8.5349 117.9436 66.4562 31.6081 177.9215 54 S 4.0741 8.2955 112.4406 61.7055 61.8771 176.0753 55 A 4.0381 7.9344 123.0716 55.2073 17.9017 179.7960 56 V 3.6972 8.0179 117.3101 65.8578 31.5133 178.6635 57 V 3.6467 7.7271 118.4025 64.3655 31.2768 177.8426 58 A 3.8956 7.8819 120.7419 55.4939 18.5455 179.5820 59 T 4.0492 7.6270 112.4967 67.0420 68.6886 176.8678 60 H 4.1437 7.9190 118.0470 59.0459 28.7933 177.6310 61 F 4.2582 9.1419 123.3684 61.1691 39.0985 176.8696 62 Q 3.9361 8.0236 119.0256 59.4342 28.8577 178.3982 63 T 3.7225 7.7019 116.0252 66.7812 68.5333 176.3171 64 I 3.5348 7.7279 120.1419 63.7435 37.9402 177.7040 65 A 2.7608 7.4167 121.3848 54.8221 17.9646 179.2557 66 A 3.0453 6.9974 117.2382 54.9748 18.4049 179.5481 67 A 3.8960 7.3904 118.9176 55.2260 18.4754 179.2884 68 N 4.4299 7.6154 113.9652 52.7871 38.9197 175.0036 69 D 4.0836 7.9319 117.2060 55.3368 40.3060 173.6799 70 Y 3.2611 7.1448 111.1451 56.8328 36.3369 170.2777 71 W 4.0094 7.8006 125.9433 57.3793 29.9488 174.1243 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 4.26 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 1.21 0.00 0.00 2 W 7.80 4.59 0.00 3.62 3.25 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 3 L 6.47 4.52 0.00 0.78 0.65 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.35 0.00 2.19 2.12 0.00 3.84 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 1.97 1.95 0.00 5 T 7.32 4.46 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 1.18 0.00 0.00 6 L 8.22 4.31 0.00 1.59 1.69 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.59 3.97 2.07 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 0.81 0.00 0.00 0.87 0.00 0.00 8 T 8.53 4.77 4.63 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 1.50 0.00 0.00 9 A 9.07 4.26 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 10 T 7.40 4.35 4.02 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 1.15 0.00 0.00 11 P 0.00 2.00 0.00 1.83 1.81 0.00 3.16 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 12 Q 7.59 3.89 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 13 E 8.31 4.20 0.00 2.22 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 2.34 2.30 0.00 14 G 7.86 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 15 F 8.55 4.21 0.00 2.96 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 16 D 8.19 4.46 0.00 2.92 2.77 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 0.00 0.00 0.00 0.00 17 L 8.43 4.09 0.00 1.96 2.01 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.55 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.53 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 1.01 0.00 0.00 1.04 0.00 0.00 20 K 7.79 3.97 0.00 2.05 2.04 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.50 7.81 21 L 7.80 3.99 0.00 1.39 1.41 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.57 4.14 0.00 4.13 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 23 R 7.64 4.12 0.00 1.90 1.92 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 24 I 7.99 3.47 1.20 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.72 0.75 0.00 0.00 25 A 7.66 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 3.49 2.14 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 0.98 0.00 0.00 0.91 0.00 0.00 27 K 8.38 3.81 0.00 1.83 1.76 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 28 K 8.04 3.95 0.00 1.66 1.80 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.34 1.32 7.81 29 T 7.45 4.36 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 1.26 0.00 0.00 30 Q 8.18 4.40 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 31 P 0.00 4.49 0.00 2.20 2.13 0.00 3.41 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 32 D 8.87 4.44 0.00 2.71 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 33 A 8.54 4.00 1.32 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 0.00 0.00 34 Q 8.28 3.88 0.00 2.14 2.33 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 2.36 2.41 0.00 35 V 7.98 3.71 2.09 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 0.83 0.00 0.00 1.01 0.00 0.00 36 R 7.84 3.96 0.00 2.06 2.01 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 37 D 8.15 4.36 0.00 2.86 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 38 T 7.66 3.88 4.41 0.00 0.00 0.00 0.00 0.00 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 39 L 8.18 4.30 0.00 1.78 1.82 0.94 0.69 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 40 R 8.14 3.87 0.00 2.09 2.09 0.00 2.66 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 1.58 1.56 0.00 41 A 7.57 4.34 1.32 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 0.00 0.00 42 V 7.12 3.81 2.27 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 1.08 0.00 0.00 1.01 0.00 0.00 43 Y 8.04 4.54 0.00 3.19 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 44 E 7.66 3.20 0.00 1.89 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 0.00 2.09 2.11 0.00 45 K 7.28 4.38 0.00 2.05 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.33 7.81 46 D 8.71 4.74 0.00 2.74 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 47 A 8.52 3.97 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 48 N 8.14 4.35 0.00 2.90 2.90 0.00 0.00 7.01 7.94 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 49 A 8.10 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.74 0.00 1.93 1.80 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.80 3.74 2.06 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 1.48 1.09 0.93 0.00 0.00 52 A 7.56 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 3.61 2.28 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 1.09 0.00 0.00 0.85 0.00 0.00 54 S 8.30 4.07 0.00 4.06 4.06 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 0.00 0.00 0.00 55 A 7.93 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.70 2.17 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 1.07 0.00 0.00 1.00 0.00 0.00 57 V 7.73 3.65 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 0.84 0.00 0.00 0.26 0.00 0.00 58 A 7.88 3.90 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.63 4.05 4.20 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 1.18 0.00 0.00 60 H 7.92 4.14 0.00 3.25 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.14 4.26 0.00 2.94 3.14 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 0.00 62 Q 8.02 3.94 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 63 T 7.70 3.72 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 1.17 0.00 0.00 64 I 7.73 3.53 1.88 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 1.05 0.00 0.00 65 A 7.42 2.76 0.89 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 66 A 7.00 3.05 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 67 A 7.39 3.90 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 68 N 7.62 4.43 0.00 1.44 1.78 0.00 0.00 6.96 8.70 0.00 0.00 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 D 7.93 4.08 0.00 2.51 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 70 Y 7.14 3.26 0.00 3.16 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 71 W 7.80 4.01 0.00 3.56 3.06 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 0.00 0.00 0.00