NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4139 8.1633 120.3511 55.4880 33.6225 176.5735 2 L 4.2930 7.9149 113.8382 53.8093 41.6890 177.9871 3 T 3.9502 8.0440 111.9060 64.0878 69.9440 176.3865 4 R 3.6770 7.9434 121.8095 58.9354 30.0425 176.6286 5 F 3.2129 7.5389 114.5612 56.5618 38.7355 175.6297 6 L 4.4755 6.9904 122.3140 53.7865 41.6612 176.2743 7 G 4.1022 8.1849 109.2033 42.2777 0.0000 170.2207 8 P 4.2532 0.0000 0.0000 65.7527 31.1485 178.6241 9 R 3.9096 8.0520 116.5287 60.0517 29.9214 177.9058 10 Y 4.0804 7.9593 115.6224 61.1076 37.8876 178.5903 11 R 4.0328 8.1726 119.8059 59.4433 30.1785 178.6270 12 Q 4.0452 8.1685 118.1124 58.5606 28.5380 178.2953 13 L 3.9857 8.3479 121.6123 58.1409 41.9691 178.8332 14 A 4.1404 8.0048 119.4398 55.4294 18.6993 179.5327 15 R 4.0478 7.9614 116.0473 59.4824 29.8886 179.0806 16 N 4.2555 8.0203 115.4788 55.3635 38.7649 176.4750 17 W 4.6079 7.8269 118.5222 56.4577 29.4267 178.5923 18 V 3.6354 7.5210 120.7707 64.5587 30.8514 176.3420 19 P 4.2534 0.0000 0.0000 65.2535 31.1971 178.5723 20 T 3.8332 7.9119 113.4344 66.8038 68.2907 176.4093 21 A 4.1308 8.3485 121.4709 55.0965 18.6227 179.2259 22 Q 4.0841 8.6751 118.6386 59.5519 29.2771 178.3388 23 L 4.2747 8.4395 120.3224 57.7441 41.5692 179.3242 24 W 4.5373 8.8061 127.8617 59.5951 30.5310 177.9543 25 G 3.7785 8.7197 105.7850 46.9430 0.0000 175.8384 26 A 4.0209 7.8973 122.6695 55.0426 18.4648 179.7214 27 V 3.5548 7.9586 116.9623 66.1126 31.6166 178.6063 28 G 3.5560 7.9138 105.2309 47.7954 0.0000 175.1314 29 A 4.0846 8.3819 123.5031 54.9836 18.4278 179.6046 30 V 3.7144 8.1380 115.5723 65.9548 31.6927 178.7328 31 G 3.7475 8.2668 105.3851 47.7776 0.0000 175.4431 32 L 3.9756 8.1400 123.0243 57.8492 42.1438 178.6090 33 V 3.9020 8.1052 118.3254 66.4103 31.2563 177.7482 34 W 4.2242 9.0158 127.7276 60.5307 30.4014 177.7534 35 A 3.4253 8.1446 118.9123 53.6645 17.8731 178.4947 36 T 4.2072 7.5366 105.9239 60.1189 70.5993 173.8524 37 D 4.2608 7.5500 120.4738 55.1520 38.7508 176.1221 38 W 4.6158 8.7155 128.7746 57.3487 29.7624 175.3553 39 R 4.2176 8.6958 122.8014 59.2091 28.7081 177.6909 40 L 3.9197 8.1701 119.9699 57.6236 42.3338 178.7091 41 I 3.7306 7.0516 118.6818 64.3332 37.3354 178.2906 42 L 4.1612 8.8754 120.7789 57.8467 41.1412 179.1889 43 D 4.6047 7.7504 117.4465 57.3179 40.7692 178.6051 44 W 4.1023 8.1850 118.2566 58.0008 29.1604 176.9757 45 V 3.8279 7.3767 119.5149 61.7391 31.3444 174.0490 46 P 4.2925 0.0000 0.0000 63.9612 31.7566 177.1819 47 Y 3.6348 8.6751 120.5028 58.1907 38.2669 169.6873 48 I 4.4375 7.3862 119.0105 61.8803 38.0569 176.5460 49 N 4.7168 7.8322 118.4014 52.1389 37.2909 175.8185 50 G 3.9249 7.5465 111.6439 45.2382 0.0000 171.9490 51 K 4.1494 7.5645 122.2781 56.4074 33.1305 176.9357 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 4.41 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 L 7.91 4.29 0.00 1.86 1.72 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.04 3.95 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 1.21 0.00 0.00 4 R 7.94 3.68 0.00 1.56 1.77 0.00 2.94 0.00 0.00 2.81 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 5 F 7.54 3.21 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.99 4.48 0.00 1.71 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.18 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 8 P 0.00 4.25 0.00 2.19 2.15 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 9 R 8.05 3.91 0.00 1.76 1.66 0.00 3.04 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 10 Y 7.96 4.08 0.00 3.37 3.15 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 11 R 8.17 4.03 0.00 1.97 2.29 0.00 3.13 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 12 Q 8.17 4.05 0.00 2.35 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 2.37 2.37 0.00 13 L 8.35 3.99 0.00 1.93 1.88 0.98 1.25 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 14 A 8.00 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.05 0.00 2.06 1.98 0.00 3.52 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 16 N 8.02 4.26 0.00 2.72 2.46 0.00 0.00 7.02 7.71 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 17 W 7.83 4.61 0.00 3.36 3.18 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 18 V 7.52 3.64 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 1.00 0.00 0.00 0.97 0.00 0.00 19 P 0.00 4.25 0.00 2.13 2.14 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 20 T 7.91 3.83 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 1.10 0.00 0.00 21 A 8.35 4.13 1.41 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 0.00 0.00 0.00 22 Q 8.68 4.08 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 23 L 8.44 4.27 0.00 2.16 1.96 0.98 0.87 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 24 W 8.81 4.54 0.00 3.55 3.09 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 25 G 8.72 3.78 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 0.00 0.00 0.00 26 A 7.90 4.02 1.41 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 0.00 0.00 0.00 27 V 7.96 3.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 28 G 7.91 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.08 1.41 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 0.00 0.00 0.00 30 V 8.14 3.71 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 0.96 0.00 0.00 0.99 0.00 0.00 31 G 8.27 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.98 0.00 1.99 1.80 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.11 3.90 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 1.21 0.00 0.00 1.24 0.00 0.00 34 W 9.02 4.22 0.00 3.37 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 35 A 8.14 3.43 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 36 T 7.54 4.21 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 1.07 0.00 0.00 37 D 7.55 4.26 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 4.62 0.00 3.41 3.02 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 0.00 39 R 8.70 4.22 0.00 2.21 2.31 0.00 3.16 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.20 0.00 40 L 8.17 3.92 0.00 1.59 1.14 0.77 0.57 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 41 I 7.05 3.73 1.83 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.65 0.79 0.00 0.00 42 L 8.88 4.16 0.00 1.79 1.82 1.04 1.18 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 43 D 7.75 4.60 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.19 4.10 0.00 3.47 3.17 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 0.00 45 V 7.38 3.83 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 0.85 0.00 0.00 1.04 0.00 0.00 46 P 0.00 4.29 0.00 2.28 1.99 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 47 Y 8.68 3.63 0.00 3.11 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 48 I 7.39 4.44 1.96 0.00 0.00 1.00 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 0.92 0.99 0.00 0.00 49 N 7.83 4.72 0.00 2.64 2.73 0.00 0.00 7.10 7.65 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 50 G 7.55 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.15 0.00 1.68 1.64 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.39 7.81