NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3023 8.3349 116.7956 54.2353 65.6099 173.4774 2 R 3.5724 7.9363 119.8007 56.6099 27.7388 170.5511 3 V 4.6077 7.4111 116.9180 60.8084 34.4967 174.7368 4 C 4.1917 8.6714 126.6563 60.4514 31.8677 173.6908 5 Q 4.1542 8.2580 122.1204 56.6770 26.3670 175.6934 6 V 3.7334 7.5443 108.0727 63.4815 31.4973 177.0047 7 T 4.5158 7.6144 113.5066 62.2620 71.7161 175.5041 8 G 4.0568 8.4293 108.8204 45.2864 0.0000 173.9828 9 K 4.2095 7.3469 119.2168 56.6240 32.5944 176.2094 10 R 4.7765 8.0653 118.2931 54.5009 34.2118 172.9037 11 P 4.3873 0.0000 0.0000 63.4547 31.7320 176.2811 12 V 4.6464 8.3020 114.6412 60.3452 36.4405 174.4821 13 T 4.7752 8.4054 119.3930 63.0125 70.4402 174.4054 14 G 4.3362 8.2105 106.3720 46.0651 0.0000 172.4039 15 N 5.5269 9.0063 120.3414 51.5986 40.9028 174.4014 16 N 4.8709 8.8425 119.1968 52.4502 39.8645 174.0962 17 R 4.9798 8.1026 116.9596 54.7437 34.3677 175.6461 18 S 4.8356 8.5928 119.4270 58.4702 64.3600 174.3906 19 H 4.7408 8.8068 118.3030 56.8261 29.7860 174.8152 20 A 4.4722 7.9423 120.5415 51.5548 19.5705 176.7836 21 L 3.9533 7.8170 113.5836 56.1884 38.0389 174.0724 22 N 4.5348 8.1230 116.4598 53.3113 39.4185 174.1008 23 A 5.0847 8.4259 126.6697 50.7413 19.9700 176.7670 24 T 4.5201 8.3110 119.0630 61.9897 72.9609 173.5643 25 K 4.2287 8.7793 126.3173 57.3004 32.6368 177.6250 26 R 4.2899 8.9774 116.3896 56.2203 32.1214 176.2125 27 R 3.9042 8.0315 117.8119 57.2367 29.4559 174.7045 28 F 4.9708 8.8239 113.9103 56.5552 43.1079 173.7302 29 L 4.9175 8.3069 121.9963 52.0739 44.5449 175.1684 30 P 4.5637 0.0000 0.0000 62.4984 32.2442 176.3814 31 N 4.4088 8.8652 117.3695 55.8991 38.6946 176.5025 32 L 3.8440 7.5222 114.2061 55.7907 39.7829 175.8811 33 H 4.1853 8.6148 114.9154 57.8418 28.4945 172.0082 34 S 3.8637 8.1648 125.6556 57.4928 63.5080 169.2438 35 H 4.8757 8.0248 124.4919 53.9852 32.4675 173.2842 36 R 4.5637 8.1803 122.3438 55.9548 28.7147 175.8778 37 F 4.7198 8.8869 125.2131 57.2812 41.1889 174.5708 38 W 4.8663 8.9294 131.6936 56.0464 30.5965 175.5233 39 V 3.3592 8.1626 127.1869 64.9779 31.6321 175.4702 40 E 2.5819 7.0582 118.5187 56.7632 26.5891 174.0210 41 S 5.7797 7.5292 128.8598 58.3019 63.2192 177.4893 42 E 4.6083 7.8992 117.3997 55.8267 31.6512 175.4338 43 K 3.5420 8.0179 117.6046 58.2602 29.7149 174.9575 44 R 4.9408 7.6072 115.1052 54.4714 34.5268 175.1877 45 F 5.3292 8.9510 119.2668 56.0045 41.0182 176.7667 46 V 4.4029 8.5310 116.6606 59.2128 30.9713 173.8904 47 T 4.4560 8.3001 115.0113 62.0640 67.9715 173.0211 48 L 5.0497 8.7683 128.4075 52.6820 45.5559 176.1013 49 R 4.3895 8.4921 121.5023 56.0297 30.6194 176.3926 50 V 4.7111 8.1888 115.4427 60.5471 36.6050 173.9837 51 S 4.9614 8.6551 118.8213 57.3529 64.3678 175.3357 52 A 4.0931 8.6631 123.2084 55.4476 17.6993 179.9766 53 K 4.0601 8.0863 117.0803 59.4828 32.2004 178.7475 54 G 3.8365 8.1081 105.7022 48.0853 0.0000 175.1528 55 M 4.2724 8.3050 120.4338 58.5610 32.4655 178.3371 56 R 3.9945 7.9237 118.2159 59.2474 30.1606 179.2887 57 V 3.6673 7.5413 117.3288 66.1056 31.5723 177.8947 58 I 3.6035 7.8278 119.0565 64.8170 36.6310 177.9553 59 D 4.3879 7.8830 118.3169 57.0644 40.7509 178.2741 60 K 4.1481 7.6411 117.6460 58.0482 32.3082 177.9662 61 K 4.3499 7.8855 117.4136 55.5106 34.1406 177.4122 62 G 4.0035 7.9888 106.1433 45.0956 0.0000 174.0749 63 I 3.4289 8.3598 122.5642 64.6161 37.7946 177.4223 64 D 5.0418 7.6229 119.0505 53.3780 40.1104 175.8529 65 T 4.7006 7.2714 115.1490 63.8797 76.4400 177.0997 66 V 3.7091 8.0390 120.9439 65.6842 31.6217 177.8283 67 L 4.0605 7.8236 118.8228 57.3150 41.6455 178.3019 68 A 4.1562 7.7083 119.2117 54.5792 18.9670 178.7919 69 E 4.0484 7.7700 116.2706 58.9397 29.5512 178.2655 70 L 4.4449 7.6841 118.3998 55.6092 42.2393 177.3586 71 R 4.7916 7.9145 115.6098 56.7968 30.7589 176.7355 72 A 4.4488 7.5643 119.9162 52.6443 19.3066 178.0443 73 R 4.3978 7.6330 113.8043 54.5390 32.6873 175.9212 74 G 4.1859 8.1341 105.1153 45.9951 0.0000 175.1637 75 E 4.1067 8.5405 121.0224 58.2902 29.7911 178.1344 76 K 4.2524 7.9227 115.6276 56.9038 34.9235 175.1582 77 Y 4.5936 7.6337 120.2827 58.2308 38.8931 174.8122 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 S 8.33 4.30 0.00 3.88 3.79 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 2 R 7.94 3.57 0.00 2.11 1.96 0.00 3.12 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 3 V 7.41 4.61 2.08 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 1.08 0.00 0.00 0.93 0.00 0.00 4 C 8.67 4.19 0.00 3.00 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 5 Q 8.26 4.15 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 6 V 7.54 3.73 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 0.70 0.00 0.00 0.95 0.00 0.00 7 T 7.61 4.52 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 1.21 0.00 0.00 8 G 8.43 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 9 K 7.35 4.21 0.00 1.67 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 R 8.07 4.78 0.00 1.76 1.81 0.00 3.31 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 11 P 0.00 4.39 0.00 2.05 2.07 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 12 V 8.30 4.65 2.10 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 0.77 0.00 0.00 1.02 0.00 0.00 13 T 8.41 4.78 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 1.25 0.00 0.00 14 G 8.21 4.34 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 0.00 15 N 9.01 5.53 0.00 2.61 2.84 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.84 4.87 0.00 2.70 2.86 0.00 0.00 6.98 8.08 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 17 R 8.10 4.98 0.00 1.63 1.78 0.00 3.37 0.00 0.00 2.70 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 18 S 8.59 4.84 0.00 3.84 3.70 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 0.00 0.00 0.00 0.00 19 H 8.81 4.74 0.00 3.11 3.36 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.94 4.47 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 21 L 7.82 3.95 0.00 1.82 1.91 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.12 4.53 0.00 2.67 2.77 0.00 0.00 6.87 7.54 0.00 0.00 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 A 8.43 5.08 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 24 T 8.31 4.52 4.43 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 1.19 0.00 0.00 25 K 8.78 4.23 0.00 1.63 1.77 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.42 7.81 26 R 8.98 4.29 0.00 1.77 1.87 0.00 3.04 0.00 0.00 2.89 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 27 R 8.03 3.90 0.00 1.95 2.18 0.00 3.38 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 28 F 8.82 4.97 0.00 2.91 2.87 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 29 L 8.31 4.92 0.00 1.63 1.57 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.56 0.00 2.21 2.08 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 31 N 8.87 4.41 0.00 2.80 2.98 0.00 0.00 6.98 7.85 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 32 L 7.52 3.84 0.00 1.86 1.77 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.61 4.19 0.00 3.25 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.16 3.86 0.00 4.07 4.08 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 35 H 8.02 4.88 0.00 2.93 1.60 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.18 4.56 0.00 1.77 1.83 0.00 2.21 0.00 0.00 2.68 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.00 37 F 8.89 4.72 0.00 3.10 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 38 W 8.93 4.87 0.00 3.29 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 39 V 8.16 3.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 40 E 7.06 2.58 0.00 1.16 1.12 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 1.82 1.71 0.00 41 S 7.53 5.78 0.00 3.96 3.81 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 42 E 7.90 4.61 0.00 1.94 1.94 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 1.98 2.16 0.00 43 K 8.02 3.54 0.00 2.00 2.19 0.00 1.80 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.43 7.81 44 R 7.61 4.94 0.00 1.77 1.80 0.00 3.06 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 45 F 8.95 5.33 0.00 2.95 3.04 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 46 V 8.53 4.40 1.96 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 0.38 0.00 0.00 1.10 0.00 0.00 47 T 8.30 4.46 4.34 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 1.37 0.00 0.00 48 L 8.77 5.05 0.00 1.91 1.64 0.98 1.09 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 49 R 8.49 4.39 0.00 1.71 1.99 0.00 3.28 0.00 0.00 2.76 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 50 V 8.19 4.71 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.05 0.00 0.00 51 S 8.66 4.96 0.00 4.01 3.89 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 52 A 8.66 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.06 0.00 1.77 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 G 8.11 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 55 M 8.31 4.27 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.93 0.00 56 R 7.92 3.99 0.00 2.04 2.01 0.00 3.19 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 57 V 7.54 3.67 2.22 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 1.02 0.00 0.00 1.02 0.00 0.00 58 I 7.83 3.60 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.54 0.00 0.00 59 D 7.88 4.39 0.00 2.72 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 60 K 7.64 4.15 0.00 1.81 1.98 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 61 K 7.89 4.35 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.54 7.81 62 G 7.99 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 0.00 0.00 0.00 63 I 8.36 3.43 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.81 0.00 0.00 64 D 7.62 5.04 0.00 2.60 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 65 T 7.27 4.70 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 1.19 0.00 0.00 66 V 8.04 3.71 1.98 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 0.95 0.00 0.00 0.90 0.00 0.00 67 L 7.82 4.06 0.00 1.90 1.64 1.06 0.73 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 68 A 7.71 4.16 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 69 E 7.77 4.05 0.00 2.21 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 2.32 2.46 0.00 70 L 7.68 4.44 0.00 1.78 1.79 0.99 1.24 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 71 R 7.91 4.79 0.00 1.85 1.94 0.00 3.21 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 72 A 7.56 4.45 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 73 R 7.63 4.40 0.00 1.76 1.93 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 74 G 8.13 4.19 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 0.00 0.00 0.00 75 E 8.54 4.11 0.00 1.95 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 2.31 2.30 0.00 76 K 7.92 4.25 0.00 1.46 1.48 0.00 1.53 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.93 7.81 77 Y 7.63 4.59 0.00 3.03 2.56 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