NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 L 4.4262 8.0433 120.9962 55.4805 41.4065 178.3779 19 L 4.0176 8.9843 111.8024 52.3548 43.4657 174.6505 20 C 3.9704 8.7402 121.4176 59.8765 32.7163 175.1598 21 K 4.0538 8.4325 125.5370 59.2610 32.5308 178.1577 22 K 4.1665 8.1971 117.8161 57.6179 32.0627 177.7193 23 G 3.9089 8.4395 107.8776 45.6682 0.0000 174.7443 24 C 3.5873 8.1784 121.5881 60.7456 31.4171 174.7850 25 G 3.8726 7.7221 106.5137 45.2421 0.0000 173.0700 26 Y 4.4160 7.6097 116.6218 57.4358 39.8615 174.1962 27 Y 4.5291 8.8012 118.6188 57.8598 38.7167 176.2179 28 G 4.6237 8.3761 109.9601 45.2194 0.0000 172.3848 29 N 4.7262 9.2376 120.3961 51.0989 39.9191 173.7994 30 P 4.0946 0.0000 0.0000 65.8657 31.5547 177.4032 31 A 3.9843 7.5245 118.4425 53.4475 18.7021 177.5562 32 W 3.6370 7.9023 117.3156 56.7951 29.4729 176.2104 33 Q 3.1678 9.4940 111.7856 56.9847 26.3577 175.3917 34 G 3.8790 8.3822 105.3835 45.1445 0.0000 174.1977 35 F 5.0626 8.2265 118.9839 56.6853 40.4990 175.1061 36 C 5.1242 8.6169 118.5647 57.0112 32.7319 174.6509 37 S 3.4737 8.6933 115.1320 61.5526 62.3899 176.4501 38 K 3.8819 7.8416 122.7348 59.1683 32.1302 178.4977 39 C 4.2102 8.0440 116.5181 62.2080 28.0509 175.6573 40 W 4.0002 8.4611 130.5747 60.1496 30.3137 178.1500 41 R 3.5386 7.7609 118.6616 59.1355 29.4084 178.4917 42 E 3.8563 7.8523 118.0976 59.2804 29.4004 178.9586 43 E 3.6328 7.5797 118.5415 59.3725 29.4986 178.7681 44 Y 3.5264 7.2866 119.4697 60.8275 38.8205 177.6981 45 H 3.9431 8.0774 119.0355 58.8750 29.9536 176.8930 46 K 3.6193 7.7362 121.1236 59.6025 32.0328 178.4768 47 A 3.8500 7.9574 121.1439 55.1917 18.2120 179.4829 48 R 3.7346 7.5064 116.7251 59.0438 30.0876 178.7324 49 Q 3.8520 7.8336 118.1973 58.6833 28.6857 178.4735 50 K 3.9031 7.8448 120.5688 59.3919 32.1570 178.7001 51 Q 3.9317 7.9797 119.9752 59.1269 28.9115 178.2936 52 I 3.7154 7.7113 120.8883 64.2675 37.2401 177.8787 53 Q 3.9818 7.9975 120.4598 59.5646 28.8453 178.6694 54 E 4.0254 8.2205 119.2223 59.6096 29.4286 179.1928 55 D 4.3921 8.3755 119.0188 56.8662 40.7792 178.4708 56 W 4.2214 8.6668 129.3935 60.6986 30.8162 177.8794 57 E 3.9500 8.3331 118.3044 59.3137 28.9065 179.1879 58 L 3.9174 7.9634 120.1411 58.0614 42.2051 178.8946 59 A 3.9275 8.2277 121.1896 54.8500 18.1395 179.3802 60 E 3.6143 8.0102 117.5308 59.5484 29.5290 179.5906 61 R 3.8430 7.6547 117.6514 59.4627 30.0404 178.9269 62 L 4.0202 7.9170 119.6529 57.7099 42.0385 178.7042 63 Q 3.8810 8.0862 119.9323 58.8642 29.0058 177.7845 64 R 3.8401 8.1007 120.0399 59.6641 30.1301 178.1728 65 E 4.0127 8.2239 118.6516 58.9261 29.4944 178.4322 66 E 4.1037 7.8213 118.8844 58.9385 29.6078 178.8447 67 E 4.0622 8.0421 118.3677 59.3453 29.4762 179.1550 68 E 3.9471 8.3225 118.4143 59.4046 29.4629 179.3071 69 A 3.9882 8.1556 120.8038 54.9992 18.4252 179.3814 70 F 4.2939 8.5602 119.1461 61.4263 39.4922 177.2473 71 A 3.7394 8.2002 120.5872 55.1743 18.0708 179.8115 72 S 4.1297 8.0545 111.0917 60.9460 63.0516 176.3224 73 S 4.1852 7.4263 116.5728 61.2330 62.3460 175.2560 74 Q 4.1582 7.5517 117.6650 56.4129 28.8067 176.6080 75 S 4.3806 7.7068 120.8224 58.6199 63.4961 173.6732 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 18 L 8.04 4.43 0.00 1.97 1.79 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.98 4.02 0.00 1.63 1.47 0.86 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.74 3.97 0.00 3.14 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 21 K 8.43 4.05 0.00 1.76 1.72 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.90 7.81 22 K 8.20 4.17 0.00 1.97 2.04 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.44 0.00 0.00 3.41 0.00 0.00 0.00 0.00 2.03 1.59 7.81 23 G 8.44 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 24 C 8.18 3.59 0.00 3.08 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 25 G 7.72 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.42 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.80 4.53 0.00 3.03 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 28 G 8.38 4.62 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 0.00 0.00 0.00 0.00 29 N 9.24 4.73 0.00 2.35 2.28 0.00 0.00 7.46 7.57 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 30 P 0.00 4.09 0.00 1.93 2.05 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 31 A 7.52 3.98 0.85 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 0.00 0.00 32 W 7.90 3.64 0.00 3.30 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 0.00 0.00 0.00 33 Q 9.49 3.17 0.00 2.63 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 34 G 8.38 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 0.00 0.00 0.00 35 F 8.23 5.06 0.00 3.67 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 36 C 8.62 5.12 0.00 3.31 3.35 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 0.00 37 S 8.69 3.47 0.00 3.95 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.88 0.00 1.75 1.77 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 C 8.04 4.21 0.00 3.25 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 40 W 8.46 4.00 0.00 3.41 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 41 R 7.76 3.54 0.00 1.87 1.94 0.00 3.06 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 42 E 7.85 3.86 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 43 E 7.58 3.63 0.00 1.43 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.47 0.00 44 Y 7.29 3.53 0.00 2.14 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 45 H 8.08 3.94 0.00 3.20 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.74 3.62 0.00 1.99 1.75 0.00 1.51 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.39 7.81 47 A 7.96 3.85 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.51 3.73 0.00 1.49 1.49 0.00 2.99 0.00 0.00 2.90 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 49 Q 7.83 3.85 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 50 K 7.84 3.90 0.00 1.77 1.90 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 51 Q 7.98 3.93 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 52 I 7.71 3.72 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.88 0.00 0.00 53 Q 8.00 3.98 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 54 E 8.22 4.03 0.00 2.34 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 2.36 0.00 55 D 8.38 4.39 0.00 2.95 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 56 W 8.67 4.22 0.00 3.46 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.95 0.00 2.30 2.02 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 2.47 2.71 0.00 58 L 7.96 3.92 0.00 1.78 1.80 0.90 1.01 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 59 A 8.23 3.93 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 60 E 8.01 3.61 0.00 1.96 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 1.65 2.09 0.00 61 R 7.65 3.84 0.00 1.98 1.95 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 62 L 7.92 4.02 0.00 1.82 1.82 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.09 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 64 R 8.10 3.84 0.00 1.94 2.06 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 65 E 8.22 4.01 0.00 2.08 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 2.29 2.34 0.00 66 E 7.82 4.10 0.00 2.12 1.95 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 2.49 2.45 0.00 67 E 8.04 4.06 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 68 E 8.32 3.95 0.00 2.03 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 2.33 2.45 0.00 69 A 8.16 3.99 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 70 F 8.56 4.29 0.00 3.14 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 71 A 8.20 3.74 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 72 S 8.05 4.13 0.00 4.00 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 73 S 7.43 4.19 0.00 4.13 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 74 Q 7.55 4.16 0.00 1.69 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 75 S 7.71 4.38 0.00 3.99 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