NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 S 4.4693 8.3193 115.2905 58.2096 62.5483 172.6840 -4 D 4.6574 8.2982 126.3721 51.4026 42.2735 173.0747 -3 H 4.7965 9.6434 120.2416 54.3780 31.6753 174.9867 -2 M 4.7443 8.2008 123.0493 52.8933 34.9890 174.8283 -1 T 3.5040 8.4565 113.0058 63.4465 67.6015 172.7811 -4 M 4.4974 8.2382 125.5721 52.6026 34.0735 173.0747 -3 S 4.5365 9.5334 117.7416 57.6780 66.4753 175.4867 -2 L 4.6043 8.0808 125.2493 52.5933 44.4890 176.1283 -1 Q 3.4940 8.6265 119.2058 57.3465 27.2015 174.0811 5 M 4.0544 8.0472 116.6713 58.3931 32.3619 176.9948 6 I 4.0391 7.3335 119.2649 63.6485 37.9044 177.9311 7 V 3.6601 7.4967 112.5881 64.6728 30.9532 178.3572 8 E 3.9782 8.1971 117.8160 59.5872 29.2525 178.8744 9 N 4.3612 8.1558 116.4196 56.1153 38.5273 177.3994 10 V 3.1569 7.5557 119.6686 66.0544 31.4943 178.1299 11 K 3.9707 7.6105 116.9837 59.4097 31.6721 179.1301 12 L 3.8068 7.5582 119.7777 58.0271 42.1782 178.6961 13 A 3.3506 7.5938 120.7595 54.8786 17.8766 179.5904 14 R 3.9739 8.2672 117.6848 59.4914 30.2062 178.4115 15 E 4.0708 7.9964 119.4777 59.2786 29.6021 178.4440 16 Y 3.8973 7.9058 116.9586 60.8494 37.7084 177.9182 17 A 3.7536 7.8187 120.7001 54.8808 18.4571 179.6128 18 L 4.0388 7.2881 115.4424 58.0678 41.9437 178.9530 19 L 4.0525 7.3635 117.0770 57.3372 41.6713 177.5341 20 G 3.2615 6.5841 111.9835 45.2401 0.0000 173.2437 21 N 4.5755 7.0812 120.1007 52.7476 37.7458 174.0904 22 Y 4.3349 8.1258 122.1331 60.2526 37.9983 176.3229 23 D 4.4536 8.4433 118.6019 57.8592 40.8063 178.6152 24 S 4.3167 8.2126 114.6388 61.2449 62.9357 176.2597 25 A 3.9355 8.2768 123.9827 55.0229 18.0571 179.5106 26 M 4.1364 8.1648 116.8709 58.8932 31.7232 178.9668 27 V 3.7013 7.6252 111.6911 64.8304 31.6664 178.4884 28 Y 3.7466 7.9385 115.7064 61.1659 37.7999 177.6528 29 Y 4.1096 8.4769 117.9424 61.4449 37.9422 178.6367 30 Q 4.1580 8.7150 120.7251 59.2152 28.9006 179.0413 31 G 3.5170 7.7312 105.9566 47.6116 0.0000 175.7620 32 V 3.5848 7.8785 121.3677 65.8137 31.5328 177.9244 33 L 4.2867 8.0658 118.4525 58.1291 40.9405 179.4398 34 D 4.4455 8.0097 118.7487 57.6753 40.4251 178.9452 35 Q 4.0912 8.5359 118.8456 58.8775 28.6292 178.7052 36 M 4.0272 8.7276 120.2971 58.4040 32.0205 178.2331 37 N 4.1633 8.1778 116.5808 56.5491 38.5503 177.3506 38 K 3.8522 7.4978 117.3292 59.7344 32.3918 178.5376 39 Y 3.9700 7.6199 118.2682 60.8053 38.5814 177.6467 40 L 4.2032 8.0944 119.9434 58.2671 41.4773 179.0468 41 Y 3.8509 8.1278 118.7019 60.0458 38.7532 176.5154 42 S 4.5008 7.7526 111.9886 57.5606 62.6748 173.6520 43 V 4.1436 6.6565 119.4123 61.8330 32.4829 175.7050 44 K 4.4170 8.4655 121.7875 56.2087 34.2293 176.5013 45 D 4.8711 7.8339 119.9398 52.6431 42.6349 177.0969 46 T 3.8729 8.4488 115.9700 65.3275 68.9976 176.2605 47 H 4.3435 8.1382 118.4514 58.1071 28.7130 177.5105 48 L 4.0596 7.7677 122.2010 58.2632 42.1473 179.0503 49 R 4.3132 8.1512 116.1193 59.1551 29.2732 178.2013 50 Q 3.9354 8.3965 120.1031 58.9853 29.3474 178.3001 51 K 4.0069 7.6278 119.4053 59.4089 32.3070 178.8981 52 W 4.5281 7.5422 118.5843 59.8905 28.6822 178.1817 53 Q 4.1380 8.3393 119.0673 59.3454 28.7556 178.3445 54 Q 4.2085 8.1486 118.6353 59.1341 29.0543 178.7868 55 V 4.4243 7.8485 114.1278 63.8155 31.7846 178.0944 56 W 4.3201 9.1433 128.3179 60.8371 30.4102 178.0136 57 Q 3.9999 8.3804 117.7264 58.9548 28.2173 178.4739 58 E 3.9191 7.9989 119.1476 59.6518 29.5367 179.5579 59 I 3.7996 7.5911 119.1418 64.4005 36.9513 177.8835 60 N 3.9589 7.1767 116.6442 56.1159 38.8669 177.0764 61 V 3.6000 7.4676 120.1290 65.8245 31.8820 177.6271 62 E 3.8024 8.1116 117.2397 59.6466 28.9384 178.9501 63 A 3.1058 7.1304 120.3935 54.2027 18.5166 179.2907 64 K 3.9566 7.8476 118.3214 59.6123 32.2503 178.9132 65 Q 3.9378 7.9497 117.8842 59.1876 28.6424 178.9026 66 V 3.6063 7.6004 118.6229 66.1520 31.1848 177.9887 67 K 3.9279 7.7642 118.4700 59.2331 32.2569 178.1737 68 D 4.3543 8.2002 118.9674 57.1423 41.0739 177.9239 69 I 3.6384 7.6768 112.3545 64.4516 37.3982 177.4270 70 M 2.7854 7.5410 116.8072 55.1666 31.0619 175.9980 71 K 4.1871 7.5934 122.4560 55.3282 33.1051 176.1034 72 T 4.1206 8.3190 119.7636 62.1756 67.4878 173.2354 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 -5 S 8.32 4.47 0.00 3.85 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 -4 D 8.30 4.66 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.64 4.80 0.00 3.10 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.20 4.74 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 -1 T 8.46 3.50 4.27 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 1.25 0.00 0.00 -4 M 8.24 4.50 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 -3 S 9.53 4.54 0.00 3.70 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 -2 L 8.08 4.60 0.00 1.50 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.63 3.49 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 2.35 1.95 0.00 5 M 8.05 4.05 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 6 I 7.33 4.04 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.89 0.00 0.00 7 V 7.50 3.66 2.13 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 0.85 0.00 0.00 1.01 0.00 0.00 8 E 8.20 3.98 0.00 2.00 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 0.00 2.53 2.30 0.00 9 N 8.16 4.36 0.00 2.94 2.88 0.00 0.00 6.55 6.90 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 10 V 7.56 3.16 2.19 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 1.08 0.00 0.00 0.97 0.00 0.00 11 K 7.61 3.97 0.00 1.93 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 12 L 7.56 3.81 0.00 1.54 1.49 0.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.59 3.35 0.71 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 14 R 8.27 3.97 0.00 2.02 2.08 0.00 3.18 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 15 E 8.00 4.07 0.00 2.20 2.20 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 2.32 2.35 0.00 16 Y 7.91 3.90 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 17 A 7.82 3.75 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.04 0.00 1.77 1.71 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.36 4.05 0.00 1.54 1.56 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 G 6.58 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 0.00 0.00 0.00 21 N 7.08 4.58 0.00 2.53 2.70 0.00 0.00 7.17 7.62 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 22 Y 8.13 4.33 0.00 3.12 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 23 D 8.44 4.45 0.00 2.88 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 24 S 8.21 4.32 0.00 4.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.28 3.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 4.14 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 27 V 7.63 3.70 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 1.17 0.00 0.00 1.15 0.00 0.00 28 Y 7.94 3.75 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.48 4.11 0.00 3.23 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 30 Q 8.71 4.16 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 31 G 7.73 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.88 3.58 2.23 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 0.96 0.00 0.00 1.00 0.00 0.00 33 L 8.07 4.29 0.00 1.86 2.01 0.75 -0.08 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 34 D 8.01 4.45 0.00 3.03 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 35 Q 8.54 4.09 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 36 M 8.73 4.03 0.00 2.19 2.60 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 2.81 2.44 0.00 37 N 8.18 4.16 0.00 2.91 2.83 0.00 0.00 7.38 7.63 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 38 K 7.50 3.85 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.70 7.81 39 Y 7.62 3.97 0.00 2.97 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 40 L 8.09 4.20 0.00 1.77 1.82 0.89 0.79 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 41 Y 8.13 3.85 0.00 3.12 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 42 S 7.75 4.50 0.00 3.98 3.68 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 43 V 6.66 4.14 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 1.06 0.00 0.00 1.07 0.00 0.00 44 K 8.47 4.42 0.00 1.75 1.80 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.35 7.81 45 D 7.83 4.87 0.00 2.73 2.63 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 46 T 8.45 3.87 4.17 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 1.17 0.00 0.00 47 H 8.14 4.34 0.00 3.27 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.77 4.06 0.00 1.77 1.97 1.43 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.15 4.31 0.00 2.17 2.42 0.00 2.78 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 50 Q 8.40 3.94 0.00 2.01 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 51 K 7.63 4.01 0.00 1.80 1.47 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 1.30 7.81 52 W 7.54 4.53 0.00 3.74 3.22 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 53 Q 8.34 4.14 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 54 Q 8.15 4.21 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 55 V 7.85 4.42 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 1.24 0.00 0.00 1.21 0.00 0.00 56 W 9.14 4.32 0.00 3.63 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.00 0.00 2.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.68 3.04 0.00 58 E 8.00 3.92 0.00 2.26 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 0.00 2.34 2.38 0.00 59 I 7.59 3.80 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.97 0.00 0.00 60 N 7.18 3.96 0.00 1.75 2.38 0.00 0.00 7.07 7.06 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 61 V 7.47 3.60 2.15 0.00 0.00 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 0.93 0.00 0.00 62 E 8.11 3.80 0.00 2.13 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 0.00 2.28 1.82 0.00 63 A 7.13 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.85 3.96 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.57 7.81 65 Q 7.95 3.94 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 66 V 7.60 3.61 2.26 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 1.25 0.00 0.00 1.00 0.00 0.00 67 K 7.76 3.93 0.00 1.82 1.84 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 68 D 8.20 4.35 0.00 2.78 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 69 I 7.68 3.64 1.86 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.41 0.97 0.00 0.00 70 M 7.54 2.79 0.00 1.72 1.43 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 71 K 7.59 4.19 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.47 7.81 72 T 8.32 4.12 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 1.19 0.00 0.00