NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4376 8.1627 118.3259 55.2578 33.6034 173.3766 2 Q 4.6784 8.2673 121.4653 52.9735 31.0774 172.7981 3 I 4.6580 8.9265 120.2005 58.9513 42.2435 173.6876 4 F 5.1638 8.9571 122.0443 55.9346 41.5941 174.8392 5 V 4.6883 8.8681 125.4562 61.4509 32.6632 174.0723 6 K 5.0222 9.1444 131.2917 55.0160 33.9511 176.8311 7 T 5.0374 8.6160 118.2645 60.1981 70.7552 174.2277 8 L 4.1159 8.4618 120.5555 58.2657 41.9361 178.8124 9 T 3.9564 8.0496 107.6028 64.2268 68.7462 174.2734 10 G 3.6650 8.2199 116.2276 45.0529 0.0000 172.8938 11 K 3.9673 7.5305 122.7930 57.3654 33.0504 175.5861 12 T 5.3269 8.6317 124.0893 61.6745 71.0371 173.5192 13 I 4.7679 8.8986 120.0393 59.1784 40.8022 174.5476 14 T 4.7531 8.4872 114.6638 60.9110 70.3291 173.6544 15 L 4.7175 8.4059 125.9600 53.2867 45.8332 174.9207 16 E 4.4590 8.8249 125.2873 55.0817 30.3152 175.3096 17 V 4.5953 8.2154 116.4888 59.7405 36.3266 174.7779 18 E 4.7012 9.3557 121.0507 53.9736 32.0089 176.0413 19 P 4.1472 0.0000 0.0000 65.6613 31.5267 178.2748 20 S 4.5683 7.8608 111.4321 58.5441 63.3588 173.7570 21 D 4.5323 8.0955 123.0028 54.1649 41.4490 176.2305 22 T 4.5751 8.2791 120.3344 63.1784 70.7592 175.9193 23 I 3.7352 8.8647 125.5167 64.5850 37.1852 178.5532 24 E 3.9281 8.2076 120.2027 59.3574 29.4920 178.4702 25 N 4.3382 8.0290 116.6051 56.3972 39.0691 176.8388 26 V 3.5537 7.6393 119.7450 66.0126 31.5894 178.2005 27 K 4.6133 8.2848 119.1847 59.0030 31.5831 179.2308 28 A 3.9982 7.9227 120.9245 54.9666 17.6981 179.9014 29 K 3.9745 7.9699 117.1979 59.5606 32.2006 179.6530 30 I 3.7427 7.8618 120.1758 64.3784 36.9393 178.2473 31 Q 4.3043 8.2767 121.9247 58.7290 28.6427 177.8639 32 D 4.3641 7.8002 118.2806 56.3299 41.3077 177.3550 33 K 4.3722 7.6533 116.7815 57.5233 33.7268 177.4579 34 E 4.5104 8.7990 118.5489 55.4459 30.7160 177.1354 35 G 3.8437 8.2987 106.0965 45.3994 0.0000 172.8391 36 I 4.2433 7.3596 121.0400 58.6568 37.9932 173.6109 37 P 4.4448 0.0000 0.0000 61.8123 32.0222 175.8399 38 P 4.2189 0.0000 0.0000 65.5793 31.5423 178.0215 39 D 4.3492 8.2286 116.6706 56.9487 41.2811 176.5373 40 Q 4.3978 8.3091 115.7926 55.9672 30.5124 176.0364 41 Q 4.6713 8.0578 120.4782 54.8583 28.0972 174.7390 42 R 4.5494 8.7281 127.9055 54.3116 29.1423 173.7957 43 L 4.3399 7.8524 120.6939 55.0502 43.3603 176.6169 44 I 4.7834 8.7334 125.1023 59.5446 40.6472 174.9714 45 F 4.7827 9.6800 131.0256 56.9754 38.8936 175.1522 46 A 3.8190 9.3995 130.3240 53.1323 16.2134 177.8018 47 G 3.9915 8.4380 108.8087 47.0184 0.0000 174.8639 48 K 4.1837 8.3201 122.4691 55.2271 32.2969 175.4312 49 Q 4.2331 8.5893 128.6373 56.1319 29.8155 175.1501 50 L 3.7987 7.9941 126.7037 52.8651 42.6006 176.0107 51 E 4.1227 9.5835 127.2699 55.9403 30.3780 177.4223 52 D 4.4039 9.2146 126.9384 57.6297 41.0868 178.7011 53 G 3.7574 8.0244 105.2887 46.9779 0.0000 173.6010 54 R 4.3527 7.9984 120.1048 55.3358 31.8285 175.4852 55 T 4.9154 8.8149 109.9725 59.7176 71.2072 175.8650 56 L 4.0912 8.4177 121.8971 57.7792 41.8776 180.1473 57 S 4.2367 7.8825 113.1226 60.6863 63.4755 176.2171 58 D 4.1524 7.7525 120.6984 57.3986 40.4758 176.7634 59 Y 4.4391 7.8346 113.3734 57.1171 37.9238 174.6272 60 N 4.0460 7.7473 116.8848 54.5480 37.7982 174.9418 61 I 3.7167 7.6615 118.5072 60.4004 36.4813 176.3884 62 Q 4.3619 8.1528 125.7167 54.2648 30.2300 176.0416 63 K 4.0730 8.2537 117.0604 58.2865 33.2723 177.0335 64 E 3.9868 9.0887 119.0100 57.3867 27.6432 174.8288 65 S 4.5349 7.4505 116.0317 58.8539 64.3010 173.6562 66 T 5.0304 8.7728 120.6862 62.5017 69.2728 174.0213 67 L 4.7961 9.2134 127.7887 53.7834 44.2704 175.8550 68 H 5.8884 8.5730 120.0561 53.8318 30.0555 174.3935 69 L 4.6583 8.5902 127.3396 54.2106 42.1831 174.5090 70 V 4.2264 8.0938 125.3735 61.4310 32.7821 174.9774 71 L 5.2212 8.4974 129.2144 53.6981 41.6446 177.0022 72 R 4.3174 8.5026 125.9047 55.0301 29.6001 175.5882 73 L 4.5885 8.1879 125.3249 53.1816 43.7383 177.9014 74 R 4.3185 8.0147 120.3244 54.0563 28.6121 176.1020 75 G 3.9075 7.9267 108.1344 45.3903 0.0000 171.4572 76 G 3.9786 9.0940 108.1506 45.6900 0.0000 174.0959 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 M 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 2 Q 8.27 4.68 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 3 I 8.93 4.66 1.79 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 1.21 0.47 0.81 0.00 0.00 4 F 8.96 5.16 0.00 2.99 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 5 V 8.87 4.69 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 1.13 0.00 0.00 0.94 0.00 0.00 6 K 9.14 5.02 0.00 1.86 1.71 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 7 T 8.62 5.04 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 1.31 0.00 0.00 8 L 8.46 4.12 0.00 1.64 1.74 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.05 3.96 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 10 G 8.22 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.53 3.97 0.00 1.91 1.74 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 12 T 8.63 5.33 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 1.32 0.00 0.00 13 I 8.90 4.77 1.90 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 1.45 0.78 0.97 0.00 0.00 14 T 8.49 4.75 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 1.31 0.00 0.00 15 L 8.41 4.72 0.00 1.74 1.43 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.82 4.46 0.00 1.84 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 2.17 2.27 0.00 17 V 8.22 4.60 2.05 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 0.61 0.00 0.00 0.88 0.00 0.00 18 E 9.36 4.70 0.00 1.80 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 2.21 2.38 0.00 19 P 0.00 4.15 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.86 4.57 0.00 3.84 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 21 D 8.10 4.53 0.00 2.98 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 22 T 8.28 4.58 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 1.32 0.00 0.00 23 I 8.86 3.74 2.20 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 1.66 1.41 0.98 0.00 0.00 24 E 8.21 3.93 0.00 2.27 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 2.31 2.33 0.00 25 N 8.03 4.34 0.00 2.87 2.90 0.00 0.00 7.24 7.70 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 26 V 7.64 3.55 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 0.96 0.00 0.00 1.01 0.00 0.00 27 K 8.28 4.61 0.00 2.03 1.88 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.52 7.81 28 A 7.92 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.97 0.00 2.01 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.72 7.81 30 I 7.86 3.74 2.15 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.92 0.00 0.00 31 Q 8.28 4.30 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 32 D 7.80 4.36 0.00 2.80 2.82 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 33 K 7.65 4.37 0.00 1.97 1.91 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.54 7.81 34 E 8.80 4.51 0.00 2.12 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 2.27 2.45 0.00 35 G 8.30 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 36 I 7.36 4.24 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.92 0.00 0.00 37 P 0.00 4.44 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.23 4.35 0.00 2.61 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 40 Q 8.31 4.40 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 41 Q 8.06 4.67 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.37 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 42 R 8.73 4.55 0.00 1.89 1.91 0.00 3.10 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 43 L 7.85 4.34 0.00 1.63 1.59 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.73 4.78 1.89 0.00 0.00 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 1.33 1.80 0.93 0.00 0.00 45 F 9.68 4.78 0.00 2.93 2.98 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 46 A 9.40 3.82 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 47 G 8.44 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 48 K 8.32 4.18 0.00 1.89 1.88 0.00 1.91 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.48 7.81 49 Q 8.59 4.23 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 7.99 3.80 0.00 1.47 1.43 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.58 4.12 0.00 2.15 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 2.46 2.35 0.00 52 D 9.21 4.40 0.00 2.84 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 53 G 8.02 3.76 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 0.00 0.00 0.00 54 R 8.00 4.35 0.00 2.19 1.73 0.00 3.15 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 55 T 8.81 4.92 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 56 L 8.42 4.09 0.00 1.73 1.72 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.88 4.24 0.00 3.95 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 58 D 7.75 4.15 0.00 2.77 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 0.00 0.00 0.00 0.00 59 Y 7.83 4.44 0.00 2.90 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 60 N 7.75 4.05 0.00 2.88 2.91 0.00 0.00 7.12 8.02 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 61 I 7.66 3.72 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.68 0.00 0.00 62 Q 8.15 4.36 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 63 K 8.25 4.07 0.00 1.90 1.91 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.47 7.81 64 E 9.09 3.99 0.00 2.18 2.33 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 2.42 2.59 0.00 65 S 7.45 4.53 0.00 3.84 3.74 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 66 T 8.77 5.03 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 1.21 0.00 0.00 67 L 9.21 4.80 0.00 1.59 1.62 0.87 0.80 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 68 H 8.57 5.89 0.00 3.34 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.59 4.66 0.00 1.81 1.61 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.09 4.23 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 0.91 0.00 0.00 0.99 0.00 0.00 71 L 8.50 5.22 0.00 1.55 1.64 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.50 4.32 0.00 1.82 1.87 0.00 3.22 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 73 L 8.19 4.59 0.00 1.65 1.58 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.01 4.32 0.00 1.77 1.89 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 75 G 7.93 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 76 G 9.09 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