NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7596 8.3649 120.3524 54.1844 41.2416 174.0302 2 T 4.6052 8.0702 113.7449 63.3447 76.4400 173.1909 3 T 4.0149 8.7675 111.4057 63.2685 70.4431 174.1139 4 V 3.3263 8.3624 115.9760 61.5396 29.5375 172.4959 5 S 4.5436 7.5039 114.7123 59.1603 66.9904 173.6013 6 E 4.8016 8.3575 115.9085 54.7107 32.9775 173.9566 7 P 4.6441 0.0000 0.0000 62.5539 31.9759 175.9237 8 A 4.4391 9.0216 127.4379 50.6681 19.5887 175.6566 9 P 4.5093 0.0000 0.0000 62.5082 32.8279 176.3665 10 S 4.6375 8.4149 113.1972 59.0103 62.6808 174.3740 11 C 4.4747 8.1040 118.1272 57.5779 42.8422 173.2801 12 V 4.5947 7.6458 119.5389 61.4577 32.3754 175.7648 13 T 4.2926 9.1728 125.3604 63.2209 70.1281 173.7652 14 L 4.8255 8.4934 127.1731 53.3340 43.0718 176.5321 15 Y 4.6454 8.5009 134.7274 56.7025 37.2160 175.6145 16 Q 3.9319 7.7613 121.3000 55.9364 30.5394 174.4651 17 S 4.4646 7.9607 122.1973 56.5482 65.7703 173.6221 18 W 4.5486 8.1518 114.5945 58.6435 28.9028 177.8360 19 R 3.9342 5.9891 112.6923 56.0928 29.8417 175.2754 20 Y 4.8725 6.6982 115.4744 56.0725 41.9092 173.6077 21 S 5.2090 9.3096 117.7541 56.9253 66.0507 173.0336 22 Q 5.2343 8.8324 123.1495 54.2011 32.9611 173.7060 23 A 5.1749 8.6754 124.3758 50.1982 21.9507 174.4678 24 D 4.5491 9.1398 123.5376 52.8082 43.4787 175.0537 25 N 4.8346 8.9042 126.0257 52.4083 38.7802 174.3530 26 G 4.1178 8.3939 111.9645 46.0308 0.0000 172.0919 27 C 4.3005 9.1353 120.5973 56.2108 43.9133 174.2312 28 A 4.2362 7.8234 120.3786 53.2119 16.2483 176.7382 29 E 4.7995 7.4398 114.8345 56.6540 34.1570 175.6985 30 T 4.1799 8.5770 120.1315 64.3276 69.0493 174.0520 31 V 4.6194 8.6202 118.3891 59.9950 36.7880 174.3266 32 T 5.1521 8.4409 118.8124 62.1925 70.9592 174.0220 33 V 5.1705 8.3027 116.7035 59.6151 36.9236 174.6539 34 K 4.5721 9.0491 121.4441 55.1124 36.0839 175.7290 35 V 3.8715 8.4135 125.1751 62.8365 32.8599 174.3816 36 V 4.5852 8.0043 127.9606 61.3141 33.7591 175.0744 37 Y 4.5771 9.1662 126.4661 56.6034 39.4665 175.9644 38 E 3.8715 9.0050 121.2048 59.7006 29.2386 177.3731 39 D 4.5598 8.1335 115.7583 53.7873 41.2425 176.3898 40 D 5.0056 8.3294 118.1342 55.0454 40.3577 173.7170 41 T 4.2392 7.2916 107.2021 60.9108 69.6166 173.2550 42 E 5.2254 8.5517 122.4343 54.7492 33.3859 175.2585 43 G 4.4666 8.5454 115.3943 45.8807 0.0000 176.9900 44 L 4.6450 7.5105 121.5136 53.0660 45.7166 174.6938 45 C 5.0024 8.8932 121.0447 55.8891 39.1166 171.2805 46 Y 5.0879 8.3232 120.6251 55.8603 40.3858 174.5084 47 A 4.6759 8.6465 126.3923 51.5094 19.8242 176.6567 48 V 4.4812 8.7502 122.1064 61.0131 35.1206 174.6920 49 A 5.0239 8.3765 128.0432 49.6881 21.7348 174.1677 50 P 4.5349 0.0000 0.0000 63.1423 32.1496 176.5964 51 G 3.7871 9.3740 114.2993 46.2730 0.0000 172.6321 52 Q 4.6018 7.8941 118.2709 54.0791 33.0321 173.4882 53 I 5.0046 7.7794 123.1790 60.1912 41.0816 174.7798 54 T 4.3278 7.8375 115.4245 63.4837 73.5812 172.9691 55 T 4.7013 8.6930 121.8135 63.3094 69.5246 175.0998 56 V 4.0089 8.2091 118.5720 60.3154 33.6459 175.2190 57 G 4.1500 7.3360 107.5165 46.0304 0.0000 172.5133 58 D 5.1307 8.8797 121.0129 53.6515 42.3150 176.5128 59 G 4.4919 8.6575 107.3040 44.1816 0.0000 173.6012 60 Y 5.1163 8.8178 115.5321 56.0753 38.2043 177.6450 61 I 3.3405 7.5059 115.1041 62.8196 37.7351 176.5130 62 G 4.0565 7.4166 109.2979 45.4080 0.0000 175.1934 63 S 4.0802 7.7676 114.1621 60.6777 63.2966 174.4361 64 H 4.3184 7.8776 119.3006 54.4934 30.0465 175.4738 65 G 3.8092 7.6911 104.6543 45.4593 0.0000 171.1011 66 H 5.1497 8.8211 116.0209 53.7125 31.1243 172.8882 67 A 3.6502 9.1516 126.3414 52.4142 17.8733 176.7070 68 R 4.2280 8.4306 123.2777 59.8511 31.1565 175.6340 69 Y 4.6479 6.7427 114.5864 56.4977 40.9522 172.7571 70 L 5.1058 8.2980 119.1453 53.8211 43.7255 175.9168 71 A 5.3415 9.0856 123.9514 50.2307 22.5320 175.7710 72 R 4.6281 8.9942 119.1944 56.2646 31.0871 175.6437 73 C 4.8642 8.7054 120.8806 55.4786 41.8939 174.0766 74 L 4.3463 8.2797 122.1432 55.0199 42.2857 176.3029 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 D 8.36 4.76 0.00 2.85 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 2 T 8.07 4.61 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 1.20 0.00 0.00 3 T 8.77 4.01 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 1.22 0.00 0.00 4 V 8.36 3.33 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 0.75 0.00 0.00 0.94 0.00 0.00 5 S 7.50 4.54 0.00 3.88 3.82 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 6 E 8.36 4.80 0.00 2.01 1.71 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 2.24 2.21 0.00 7 P 0.00 4.64 0.00 1.92 1.73 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 8 A 9.02 4.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.51 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 10 S 8.41 4.64 0.00 3.89 3.94 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 11 C 8.10 4.47 0.00 3.00 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 12 V 7.65 4.59 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 0.92 0.00 0.00 0.99 0.00 0.00 13 T 9.17 4.29 4.31 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 1.26 0.00 0.00 14 L 8.49 4.83 0.00 1.65 1.63 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.50 4.65 0.00 3.07 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 16 Q 7.76 3.93 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.61 0.00 0.00 0.00 0.00 0.00 1.97 2.24 0.00 17 S 7.96 4.46 0.00 3.48 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 18 W 8.15 4.55 0.00 3.68 3.40 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 0.00 19 R 5.99 3.93 0.00 1.09 0.66 0.00 2.80 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.27 0.00 20 Y 6.70 4.87 0.00 2.97 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 21 S 9.31 5.21 0.00 4.00 3.80 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 0.00 0.00 0.00 22 Q 8.83 5.23 0.00 2.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 23 A 8.68 5.17 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 24 D 9.14 4.55 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.83 0.00 2.82 2.87 0.00 0.00 6.70 8.28 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 26 G 8.39 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.14 4.30 0.00 2.99 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 28 A 7.82 4.24 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 E 7.44 4.80 0.00 1.82 1.81 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 2.25 2.41 0.00 30 T 8.58 4.18 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 1.25 0.00 0.00 31 V 8.62 4.62 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 0.96 0.00 0.00 1.00 0.00 0.00 32 T 8.44 5.15 4.45 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 1.26 0.00 0.00 33 V 8.30 5.17 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 1.01 0.00 0.00 1.01 0.00 0.00 34 K 9.05 4.57 0.00 1.70 1.84 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.38 7.81 35 V 8.41 3.87 1.78 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 -0.29 0.00 0.00 0.75 0.00 0.00 36 V 8.00 4.59 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 0.83 0.00 0.00 0.97 0.00 0.00 37 Y 9.17 4.58 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.01 3.87 0.00 2.11 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 2.35 2.34 0.00 39 D 8.13 4.56 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 5.01 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.29 4.24 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 1.07 0.00 0.00 42 E 8.55 5.23 0.00 1.98 1.89 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 2.22 2.29 0.00 43 G 8.55 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 4.64 0.00 0.59 1.22 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.89 5.00 0.00 2.92 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 46 Y 8.32 5.09 0.00 2.84 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 47 A 8.65 4.68 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 48 V 8.75 4.48 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 1.02 0.00 0.00 1.02 0.00 0.00 49 A 8.38 5.02 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 50 P 0.00 4.53 0.00 2.07 2.15 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 51 G 9.37 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 0.00 0.00 0.00 52 Q 7.89 4.60 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 53 I 7.78 5.00 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.70 0.00 0.00 54 T 7.84 4.33 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 1.35 0.00 0.00 55 T 8.69 4.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 56 V 8.21 4.01 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 1.02 0.00 0.00 0.89 0.00 0.00 57 G 7.34 4.15 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 0.00 0.00 0.00 58 D 8.88 5.13 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.82 5.12 0.00 3.04 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 61 I 7.51 3.34 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 1.31 0.00 0.00 62 G 7.42 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 63 S 7.77 4.08 0.00 3.95 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 64 H 7.88 4.32 0.00 2.68 1.96 0.00 5.73 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 65 G 7.69 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 0.00 0.00 0.00 66 H 8.82 5.15 0.00 3.17 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.15 3.65 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.43 4.23 0.00 1.67 1.86 0.00 3.35 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 69 Y 6.74 4.65 0.00 3.01 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 70 L 8.30 5.11 0.00 1.68 1.65 1.03 0.66 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 71 A 9.09 5.34 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 72 R 8.99 4.63 0.00 1.68 1.88 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 73 C 8.71 4.86 0.00 2.88 3.03 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 74 L 8.28 4.35 0.00 1.58 1.50 0.93 0.87 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