NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0142 8.0544 120.3171 61.4286 32.6425 174.7801 2 D 4.4234 8.5552 121.0496 53.2845 40.2283 174.5942 3 M 4.3908 9.3318 127.3427 55.8729 33.5618 178.0298 4 S 4.1634 8.0427 116.4058 61.6005 63.1692 175.3425 5 N 4.8492 8.0920 114.0894 52.7333 39.2270 174.3851 6 V 3.9473 7.4309 119.2120 63.4094 31.2320 176.1055 7 V 4.1949 8.7236 121.6550 62.2859 33.1279 176.3300 8 K 4.4527 7.5717 120.3433 55.2589 35.6863 174.4859 9 T 4.9932 8.1804 122.7003 61.9877 71.5368 172.7304 10 Y 4.4702 9.2036 125.0328 56.7118 39.8263 174.6074 11 D 4.9203 8.6913 125.2948 53.2594 42.3353 175.9679 12 L 4.8324 8.6189 124.3147 53.4025 43.3834 178.4857 13 Q 4.0272 8.6957 120.6847 58.7191 28.7666 177.3046 14 D 4.5380 7.9638 115.1968 53.3474 39.5557 176.6384 15 G 3.9239 8.1988 110.2174 45.4375 0.0000 174.1773 16 S 4.4972 8.3443 114.5383 58.0925 64.9656 173.4127 17 K 4.9924 8.8979 118.8673 54.6357 36.3442 175.6077 18 V 4.6815 8.6922 124.3871 61.6773 33.4272 173.9802 19 H 5.2949 9.4117 125.9288 53.9943 31.5254 173.6359 20 V 4.6570 8.6753 122.4114 61.1971 34.0853 174.9124 21 F 5.1819 9.3089 126.8028 55.7551 40.9328 177.0488 22 K 3.9586 8.7832 122.0459 59.4704 32.0576 177.4050 23 D 4.5899 8.2214 115.9523 53.1919 39.3986 177.2224 24 G 3.9922 8.3106 107.9388 45.6087 0.0000 174.4111 25 K 4.3800 8.6376 119.9543 56.7969 33.3865 175.6359 26 M 5.2840 8.7601 121.1140 53.9843 35.4639 174.6523 27 G 4.4965 9.7835 112.0246 44.7903 0.0000 170.8659 28 M 5.5174 8.7510 121.6669 53.3637 35.7547 173.9659 29 E 5.3281 9.0143 122.4263 54.5529 33.8169 175.5925 30 N 5.1330 8.9611 119.4699 51.4735 39.2596 175.8163 31 K 3.9539 8.2576 115.7694 58.7779 32.3922 177.4217 32 F 4.7049 8.2025 116.9814 56.9317 39.0020 175.8608 33 G 3.8961 8.3155 108.6034 46.3667 0.0000 173.4933 34 K 4.6113 8.1782 118.7890 53.9050 34.3431 175.7925 35 S 4.6619 8.8410 119.2290 59.4960 62.5697 173.1838 36 M 4.9627 8.8195 122.8408 53.8395 34.6591 174.1490 37 N 4.5613 8.6244 117.4159 52.8479 39.4817 174.9561 38 M 4.2044 8.5426 123.5389 54.2356 32.9462 173.9535 39 P 4.3340 0.0000 0.0000 62.6725 30.8355 175.2221 40 E 4.4434 8.8157 123.3147 56.1217 30.6675 175.9121 41 G 4.1265 9.0358 113.9693 46.4942 0.0000 172.9084 42 K 4.4670 7.2012 119.2787 53.7244 34.1616 175.6345 43 V 4.0248 8.2301 126.3271 63.2183 32.6120 174.9630 44 M 4.7591 9.2559 126.3715 53.5574 35.9254 173.8937 45 E 4.8278 8.8298 125.1942 55.5952 31.5043 175.3307 46 T 4.8781 8.6449 117.0827 60.2970 70.9114 176.2017 47 R 3.9504 9.3612 123.3550 59.0621 30.1883 177.6079 48 D 4.6379 7.9616 115.1751 53.1827 39.5662 177.0581 49 G 3.9464 7.9979 108.1894 45.5570 0.0000 173.5585 50 T 4.5769 7.8123 114.8639 60.5905 70.4875 172.9314 51 K 5.2014 8.4198 119.8379 54.5512 36.4092 175.7890 52 I 5.0806 8.8245 116.8035 59.2293 41.3894 174.0655 53 I 4.9642 8.5857 122.2589 59.7149 41.9192 173.1051 54 M 5.1910 8.5984 128.0196 53.9233 34.3947 174.6727 55 K 4.6268 9.4830 126.8931 56.0464 36.0251 175.9654 56 G 4.1758 9.1146 115.6528 47.9260 0.0000 172.1948 57 N 4.2573 8.1215 106.7807 54.2611 38.3457 173.0220 58 E 4.6996 7.9758 113.0277 53.9989 33.3128 174.5755 59 I 4.9077 8.1393 122.4142 59.8031 39.0845 174.9671 60 F 4.8420 9.5463 126.0961 55.8494 41.4385 174.8841 61 R 5.1172 8.3833 121.1182 54.0121 33.5055 174.5005 62 L 3.9633 8.3931 123.4130 55.6415 42.7554 176.6427 63 D 4.6200 8.7083 122.7027 53.3228 41.5060 176.8444 64 E 4.0454 8.8365 126.7816 58.8361 29.9772 177.8875 65 A 4.0791 7.9205 121.4526 54.7085 18.5603 177.3640 66 L 4.2927 7.5894 118.6208 54.9468 41.8258 176.3388 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 V 8.05 4.01 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 0.65 0.00 0.00 1.11 0.00 0.00 2 D 8.56 4.42 0.00 2.76 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 3 M 9.33 4.39 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 4 S 8.04 4.16 0.00 3.84 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 5 N 8.09 4.85 0.00 2.87 2.96 0.00 0.00 6.69 7.68 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 6 V 7.43 3.95 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 0.69 0.00 0.00 0.75 0.00 0.00 7 V 8.72 4.19 2.06 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 0.77 0.00 0.00 1.01 0.00 0.00 8 K 7.57 4.45 0.00 1.64 1.43 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.16 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.65 1.04 7.81 9 T 8.18 4.99 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 10 Y 9.20 4.47 0.00 2.74 2.85 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 11 D 8.69 4.92 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.62 4.83 0.00 1.67 1.56 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.70 4.03 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 14 D 7.96 4.54 0.00 2.73 2.75 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 15 G 8.20 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 16 S 8.34 4.50 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.99 0.00 1.61 1.49 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.34 7.81 18 V 8.69 4.68 2.16 0.00 0.00 0.00 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 0.89 0.00 0.00 19 H 9.41 5.29 0.00 2.71 2.70 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.68 4.66 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 1.07 0.00 0.00 1.06 0.00 0.00 21 F 9.31 5.18 0.00 3.20 2.92 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 22 K 8.78 3.96 0.00 1.94 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.41 7.81 23 D 8.22 4.59 0.00 2.82 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 24 G 8.31 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 25 K 8.64 4.38 0.00 1.96 1.92 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 26 M 8.76 5.28 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 27 G 9.78 4.50 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 0.00 28 M 8.75 5.52 0.00 2.26 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 29 E 9.01 5.33 0.00 2.16 2.06 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 2.30 2.28 0.00 30 N 8.96 5.13 0.00 2.98 3.08 0.00 0.00 6.95 7.41 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 31 K 8.26 3.95 0.00 1.50 1.72 0.00 0.61 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.56 0.21 7.81 32 F 8.20 4.70 0.00 3.22 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 34 K 8.18 4.61 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.43 7.81 35 S 8.84 4.66 0.00 3.93 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 36 M 8.82 4.96 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 37 N 8.62 4.56 0.00 2.75 2.81 0.00 0.00 6.89 7.66 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 38 M 8.54 4.20 0.00 1.99 1.99 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 2.57 2.51 0.00 39 P 0.00 4.33 0.00 2.20 2.04 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 40 E 8.82 4.44 0.00 2.02 1.84 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 2.33 2.49 0.00 41 G 9.04 4.13 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 0.00 0.00 0.00 42 K 7.20 4.47 0.00 1.76 1.66 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.31 7.81 43 V 8.23 4.02 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 0.81 0.00 0.00 0.89 0.00 0.00 44 M 9.26 4.76 0.00 1.86 1.83 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 2.63 2.42 0.00 45 E 8.83 4.83 0.00 2.04 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 2.34 2.30 0.00 46 T 8.64 4.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 47 R 9.36 3.95 0.00 1.97 2.04 0.00 3.13 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 48 D 7.96 4.64 0.00 2.78 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 49 G 8.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.81 4.58 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 1.33 0.00 0.00 51 K 8.42 5.20 0.00 1.69 1.61 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 52 I 8.82 5.08 1.65 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.76 0.69 0.00 0.00 53 I 8.59 4.96 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.08 0.82 0.00 0.00 54 M 8.60 5.19 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 55 K 9.48 4.63 0.00 1.65 1.66 0.00 1.75 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.55 7.81 56 G 9.11 4.18 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 0.00 0.00 0.00 57 N 8.12 4.26 0.00 2.81 2.86 0.00 0.00 7.06 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 58 E 7.98 4.70 0.00 2.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 59 I 8.14 4.91 1.80 0.00 0.00 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 1.31 0.82 0.59 0.00 0.00 60 F 9.55 4.84 0.00 2.94 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 61 R 8.38 5.12 0.00 1.80 1.79 0.00 3.40 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 62 L 8.39 3.96 0.00 1.60 1.65 0.96 0.83 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 63 D 8.71 4.62 0.00 2.70 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 64 E 8.84 4.05 0.00 2.01 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 2.26 0.00 65 A 7.92 4.08 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 66 L 7.59 4.29 0.00 1.78 1.58 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00