NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5299 8.2893 120.3282 55.3195 33.5579 175.7629 2 N 4.5902 8.5906 121.8143 51.0595 40.6255 174.4614 3 A 4.0093 9.2279 122.2695 55.5687 18.6859 180.9668 4 I 3.7540 7.8321 117.7050 64.6296 37.2452 178.2041 5 D 4.3920 8.4636 120.0286 57.3980 40.5928 178.9355 6 I 3.7991 8.0478 113.3264 63.5858 37.6629 178.0688 7 A 3.9832 8.1694 122.7535 55.1294 18.1435 179.6472 8 I 3.6524 7.9786 118.2705 64.6854 36.9894 178.4052 9 N 4.3413 8.0824 116.0536 56.0853 38.4003 177.0379 10 K 4.0701 8.0588 120.2955 59.6803 32.4379 178.6455 11 L 4.1883 7.7164 117.7467 56.1651 41.6751 177.9432 12 G 4.1045 8.9387 106.7038 45.6623 0.0000 173.9206 13 S 4.5390 7.4872 112.2589 56.3893 66.3378 176.5289 14 V 3.5437 8.0558 121.9449 66.1149 31.1612 177.8778 15 S 4.0248 8.1015 112.1587 61.5150 62.1895 176.0151 16 A 3.9561 8.2054 123.4475 54.9677 18.2303 179.4010 17 L 3.9552 8.2669 120.0092 57.6003 42.2240 178.8687 18 A 3.9091 8.3162 120.9248 55.2387 18.2800 179.3773 19 A 3.9660 8.2136 119.5881 55.4364 18.3568 180.0666 20 S 4.1620 8.3920 112.5469 60.8233 62.8307 175.7007 21 L 4.6522 7.6946 120.0250 53.5011 42.0855 176.6040 22 G 3.8988 7.7848 106.4797 46.7578 0.0000 173.8104 23 V 4.5272 7.5553 111.1217 58.5992 35.1911 176.0842 24 R 4.1512 8.0581 119.6566 55.9407 30.9006 178.0518 25 Q 3.8914 8.6891 120.1187 59.2739 28.5956 179.5464 26 S 4.0480 8.0128 114.3871 61.2477 62.7661 176.4242 27 A 3.6350 7.5853 124.3396 54.8235 18.0898 179.4918 28 I 2.6085 6.8936 117.6627 64.4337 37.1713 178.6599 29 S 4.0910 7.7570 115.7413 61.6020 62.5461 176.5535 30 N 4.3487 8.1747 119.2834 56.0848 38.2925 177.4226 31 W 4.5477 8.0989 120.4270 60.0372 28.9527 178.7281 32 R 4.0183 8.0367 116.5925 59.3197 29.5761 178.7175 33 A 4.1559 7.8663 119.6345 55.0914 18.4606 179.4100 34 R 4.0613 8.2005 116.5655 57.6369 30.2580 177.6039 35 G 4.0337 9.6632 106.2249 44.8126 0.0000 172.9096 36 R 4.5078 7.1735 112.7445 55.3704 31.6253 174.6871 37 V 3.4700 7.9547 112.5507 59.2568 33.0482 174.6515 38 P 4.1168 0.0000 0.0000 62.4226 32.0349 177.4383 39 A 4.0813 8.6776 124.0748 55.3850 18.0684 179.8069 40 E 4.1077 8.0692 113.7619 58.5564 30.0831 178.2833 41 R 4.3203 7.7740 118.3634 56.9796 30.5310 178.0803 42 C 4.0506 7.9401 117.8220 62.6801 28.1290 175.6593 43 I 3.5713 7.6943 120.8850 64.6751 36.6710 178.0556 44 D 4.3706 8.0045 118.9581 57.2921 40.7177 178.6228 45 I 3.7028 7.8094 120.3550 64.4613 37.0789 177.9743 46 E 4.6900 8.1421 121.3656 58.8108 29.3777 179.2303 47 R 3.8765 7.8996 117.9757 59.4920 30.0521 179.4910 48 V 3.8249 8.0137 111.0034 63.7383 31.7971 177.7060 49 T 4.2732 7.9100 108.6195 60.7713 68.6377 174.2612 50 N 3.8475 8.8802 118.4608 55.0332 37.8004 175.1173 51 G 3.9105 8.4567 103.3464 45.0047 0.0000 175.3767 52 A 3.9920 7.7954 122.8892 53.8704 18.7694 177.9001 53 V 4.4176 7.8918 116.0615 61.1511 33.1677 174.6338 54 I 4.6835 8.4355 121.1474 59.1964 39.8386 176.4573 55 C 3.5789 8.9311 120.2543 63.0742 27.5385 176.9289 56 R 4.0892 7.7096 115.0894 58.7494 29.2294 178.0407 57 E 4.1879 7.8555 119.1407 58.8857 29.6670 178.5907 58 L 4.2842 7.7458 117.8211 56.7011 43.3379 178.0952 59 R 4.7000 8.2460 118.0881 52.6568 31.0300 173.7538 60 P 4.9156 0.0000 0.0000 64.8241 31.5006 177.5336 61 D 4.3012 8.1384 116.6765 55.5665 39.2600 177.9150 62 V 3.7735 7.4140 117.9335 64.4965 32.4362 176.8495 63 F 4.7361 8.2041 114.0871 56.7903 39.8008 176.1754 64 G 4.0607 8.3983 114.1630 45.7061 0.0000 173.5565 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 8.29 4.53 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 2 N 8.59 4.59 0.00 3.01 2.99 0.00 0.00 6.62 6.19 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 3 A 9.23 4.01 1.35 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 0.00 0.00 4 I 7.83 3.75 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.63 1.04 0.00 0.00 5 D 8.46 4.39 0.00 2.90 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 6 I 8.05 3.80 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.74 0.97 0.00 0.00 7 A 8.17 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.65 2.05 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 1.53 0.80 0.88 0.00 0.00 9 N 8.08 4.34 0.00 2.87 2.89 0.00 0.00 7.04 7.17 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 10 K 8.06 4.07 0.00 1.83 2.02 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.53 7.81 11 L 7.72 4.19 0.00 1.69 1.72 0.93 1.15 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 12 G 8.94 4.10 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 0.00 0.00 0.00 13 S 7.49 4.54 0.00 3.98 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 14 V 8.06 3.54 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 1.07 0.00 0.00 0.90 0.00 0.00 15 S 8.10 4.02 0.00 3.90 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 16 A 8.21 3.96 1.36 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 0.00 0.00 0.00 17 L 8.27 3.96 0.00 1.80 1.67 0.97 1.11 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 18 A 8.32 3.91 1.33 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 0.00 0.00 19 A 8.21 3.97 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 20 S 8.39 4.16 0.00 4.08 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 0.00 21 L 7.69 4.65 0.00 1.77 1.89 1.21 0.87 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 22 G 7.78 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 0.00 0.00 0.00 23 V 7.56 4.53 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 0.92 0.00 0.00 0.79 0.00 0.00 24 R 8.06 4.15 0.00 1.79 1.77 0.00 3.11 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 25 Q 8.69 3.89 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 26 S 8.01 4.05 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 27 A 7.59 3.63 0.98 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 28 I 6.89 2.61 1.73 0.00 0.00 0.40 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 0.96 0.83 0.00 0.00 29 S 7.76 4.09 0.00 3.91 3.86 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 30 N 8.17 4.35 0.00 2.82 2.94 0.00 0.00 7.02 7.53 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 31 W 8.10 4.55 0.00 3.52 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 32 R 8.04 4.02 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 33 A 7.87 4.16 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 34 R 8.20 4.06 0.00 1.87 2.19 0.00 3.33 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 35 G 9.66 4.03 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 0.00 0.00 0.00 36 R 7.17 4.51 0.00 1.86 1.86 0.00 3.01 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 37 V 7.95 3.47 1.23 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 0.78 0.00 0.00 0.73 0.00 0.00 38 P 0.00 4.12 0.00 1.89 1.82 0.00 2.20 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 39 A 8.68 4.08 1.24 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 0.00 0.00 0.00 40 E 8.07 4.11 0.00 2.13 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 0.00 2.23 2.37 0.00 41 R 7.77 4.32 0.00 1.54 1.85 0.00 3.47 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 42 C 7.94 4.05 0.00 3.06 2.62 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 43 I 7.69 3.57 1.86 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 1.59 0.66 0.89 0.00 0.00 44 D 8.00 4.37 0.00 2.84 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 45 I 7.81 3.70 1.95 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 1.50 0.91 0.92 0.00 0.00 46 E 8.14 4.69 0.00 1.91 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 2.25 2.15 0.00 47 R 7.90 3.88 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 48 V 8.01 3.82 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 0.82 0.00 0.00 1.03 0.00 0.00 49 T 7.91 4.27 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 1.23 0.00 0.00 50 N 8.88 3.85 0.00 2.87 2.90 0.00 0.00 7.17 7.93 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 51 G 8.46 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 52 A 7.80 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 53 V 7.89 4.42 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 1.01 0.00 0.00 0.93 0.00 0.00 54 I 8.44 4.68 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.89 0.00 0.00 55 C 8.93 3.58 0.00 2.28 1.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.09 0.00 2.24 2.13 0.00 3.05 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 57 E 7.86 4.19 0.00 2.11 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 2.33 2.32 0.00 58 L 7.75 4.28 0.00 1.71 1.70 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.25 4.70 0.00 2.09 1.98 0.00 3.30 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 60 P 0.00 4.92 0.00 2.17 2.13 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 61 D 8.14 4.30 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.41 3.77 1.65 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 -0.17 0.00 0.00 0.74 0.00 0.00 63 F 8.20 4.74 0.00 2.99 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 64 G 8.40 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 0.00 0.00 0.00