NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4668 8.2993 120.0195 56.3737 34.8123 176.4020 3 P 4.6966 0.0000 0.0000 62.4830 29.9714 174.7261 4 S 4.6344 8.7020 110.3242 58.0562 63.2234 176.5960 5 E 3.9255 8.1607 121.2271 58.2952 29.5553 176.3356 6 M 4.4477 7.6949 117.4907 55.8220 32.3939 176.6075 7 R 4.2320 7.3026 118.0211 57.1265 31.0031 176.0376 8 N 4.8489 7.4688 115.2227 51.8567 38.8946 175.7679 9 L 4.1472 7.4627 119.0875 54.6432 43.1405 172.7504 10 Q 4.4854 8.0281 123.5628 54.8973 29.7033 174.9023 11 A 4.4267 8.9111 124.8305 51.4092 21.2029 176.1850 12 T 3.5507 8.1581 106.6122 64.3139 67.2393 170.7327 13 D 4.7924 7.7202 123.9680 56.3660 44.0004 178.3603 14 F 4.1801 8.2363 119.1303 59.3655 39.8048 176.2908 15 A 4.1401 8.2944 122.5955 55.2041 18.2653 177.9951 16 K 4.4500 7.6065 112.6925 56.0277 32.9025 177.2881 17 E 3.7640 8.1642 120.7888 58.8278 28.4156 179.0926 18 I 3.6765 7.4676 119.5423 64.1201 37.3283 177.2837 19 D 4.4989 7.7487 118.4236 56.1477 42.3256 177.3961 20 A 4.5847 6.8989 122.1588 51.5470 17.8569 179.4646 21 R 3.9615 9.0451 120.9829 61.6255 30.1263 176.0719 22 K 4.4788 7.0690 117.5689 54.3661 30.4666 174.6092 23 K 4.7061 7.6543 119.3559 57.1650 38.3059 176.4922 24 E 4.6057 7.9733 116.9512 56.0922 30.7776 175.9713 25 L 4.3161 7.9507 119.9039 55.3261 42.7416 176.9902 26 M 4.2052 7.6931 116.0406 57.2776 32.5879 175.7843 27 E 4.1126 7.0238 116.6686 55.6606 29.9614 176.7544 28 L 3.8620 6.8993 114.5477 55.2570 46.8691 175.9212 29 R 4.2469 7.0070 117.4133 56.2502 30.4569 175.9024 30 F 4.5978 7.5740 111.9815 57.0236 38.7229 174.2315 31 Q 4.1163 8.5646 119.9010 55.9574 29.1207 173.7982 32 A 3.5971 8.9776 130.0717 52.3066 18.4437 176.8209 33 A 4.0194 8.5481 120.1008 53.0750 15.7704 177.8635 34 A 4.7847 7.1517 118.8488 52.4589 20.7954 178.7737 35 G 4.7319 7.1437 114.2552 45.5866 0.0000 172.5691 36 Q 4.2666 8.6566 123.8864 57.0242 29.9522 177.1929 37 L 4.7302 7.6834 113.8733 53.6609 44.7346 176.6898 38 A 4.2310 8.2554 124.6502 52.8346 17.6135 179.4062 39 Q 4.5883 8.9244 121.4520 55.0287 29.6508 172.9292 40 P 4.2963 0.0000 0.0000 65.8377 32.0538 176.6185 41 H 4.3032 7.5870 117.9209 56.0955 28.9067 175.0820 42 R 5.5346 7.3487 135.0000 56.6711 33.2062 173.1926 43 V 4.3691 7.3061 117.3238 63.8030 32.5529 176.0626 44 R 4.3869 9.0152 116.7395 55.9447 30.2318 175.0812 45 Q 4.5166 7.5348 112.9967 55.1137 31.3748 174.1982 46 L 5.0674 7.0260 116.5540 54.7426 44.5668 174.2187 47 R 4.6246 7.7817 113.2769 56.3242 33.8729 176.0406 48 R 4.5929 7.8833 118.2336 55.8422 30.2527 177.3409 49 E 4.2237 8.1573 116.3261 58.6027 29.9918 177.6893 50 V 4.5386 6.8012 114.9715 59.9662 32.6889 172.5140 51 A 4.2636 8.1037 122.0168 52.1821 21.8604 177.5380 52 Q 3.7272 9.1315 118.1461 56.7486 27.6611 173.8271 53 L 4.7312 7.7846 115.3960 54.6813 43.0942 176.3422 54 N 4.9342 8.1260 115.2575 53.0417 39.2162 174.1745 55 T 4.4867 7.6763 107.5850 60.1825 71.3739 173.6512 56 V 3.4019 8.2666 112.2439 61.7374 29.0730 174.3083 57 K 4.5386 7.8021 114.5073 57.0165 36.2092 176.0363 58 A 4.6210 7.2553 120.6602 51.9851 19.1558 175.3513 59 E 4.9113 7.6795 115.9002 57.1654 31.3848 175.3923 60 L 4.2731 7.4609 125.7203 55.5727 46.1115 175.2775 61 A 4.3443 8.1088 117.4820 53.0687 18.3401 178.1928 62 R 3.9731 7.8377 114.9056 57.6419 30.2512 176.6136 63 K 4.0827 7.6814 117.4920 56.9365 32.8456 176.6115 64 G 3.8250 8.8586 113.8707 45.0296 0.0000 173.8944 65 E 4.7344 9.1515 115.0366 54.8424 34.2153 174.9466 66 Q 4.2397 8.5573 118.8977 56.3394 28.8018 175.3634 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 2 K 8.30 4.47 0.00 1.91 1.93 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 3 P 0.00 4.70 0.00 2.29 1.76 0.00 3.80 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 2.05 2.03 0.00 4 S 8.70 4.63 0.00 3.86 3.83 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 5 E 8.16 3.93 0.00 1.97 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 2.41 0.00 6 M 7.69 4.45 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 7 R 7.30 4.23 0.00 1.98 1.91 0.00 3.26 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 8 N 7.47 4.85 0.00 2.64 2.67 0.00 0.00 6.79 7.78 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 9 L 7.46 4.15 0.00 1.58 1.52 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.03 4.49 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.29 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 11 A 8.91 4.43 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 12 T 8.16 3.55 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 1.23 0.00 0.00 13 D 7.72 4.79 0.00 2.79 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 14 F 8.24 4.18 0.00 3.06 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 15 A 8.29 4.14 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 16 K 7.61 4.45 0.00 1.79 1.67 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 17 E 8.16 3.76 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 1.95 1.67 0.00 18 I 7.47 3.68 1.83 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 1.33 0.63 0.90 0.00 0.00 19 D 7.75 4.50 0.00 2.59 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 20 A 6.90 4.58 0.92 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 21 R 9.05 3.96 0.00 1.81 1.98 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 22 K 7.07 4.48 0.00 1.63 1.97 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 K 7.65 4.71 0.00 1.94 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.61 7.81 24 E 7.97 4.61 0.00 2.08 1.76 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 2.17 2.20 0.00 25 L 7.95 4.32 0.00 1.85 1.56 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.69 4.21 0.00 1.94 2.00 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 2.51 2.52 0.00 27 E 7.02 4.11 0.00 1.83 1.62 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 2.17 2.34 0.00 28 L 6.90 3.86 0.00 1.52 1.52 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.01 4.25 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 30 F 7.57 4.60 0.00 2.95 3.07 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 31 Q 8.56 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 32 A 8.98 3.60 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 33 A 8.55 4.02 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 0.00 0.00 34 A 7.15 4.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.14 4.73 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 0.00 0.00 0.00 36 Q 8.66 4.27 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 37 L 7.68 4.73 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.26 4.23 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.92 4.59 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 40 P 0.00 4.30 0.00 2.08 2.20 0.00 3.79 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 41 H 7.59 4.30 0.00 3.20 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.35 5.53 0.00 1.87 1.87 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 43 V 7.31 4.37 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 0.92 0.00 0.00 0.97 0.00 0.00 44 R 9.02 4.39 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 45 Q 7.53 4.52 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 46 L 7.03 5.07 0.00 1.64 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.62 0.00 1.79 1.87 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 48 R 7.88 4.59 0.00 1.87 1.85 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 49 E 8.16 4.22 0.00 2.15 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 0.00 2.28 2.26 0.00 50 V 6.80 4.54 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 0.91 0.00 0.00 1.12 0.00 0.00 51 A 8.10 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 9.13 3.73 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 L 7.78 4.73 0.00 1.58 1.57 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.13 4.93 0.00 2.66 2.77 0.00 0.00 6.91 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 55 T 7.68 4.49 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 56 V 8.27 3.40 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 0.63 0.00 0.00 0.89 0.00 0.00 57 K 7.80 4.54 0.00 1.67 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.47 7.81 58 A 7.26 4.62 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 59 E 7.68 4.91 0.00 1.86 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 0.00 2.06 2.15 0.00 60 L 7.46 4.27 0.00 1.56 1.59 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.11 4.34 1.26 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 0.00 0.00 62 R 7.84 3.97 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 63 K 7.68 4.08 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 64 G 8.86 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 0.00 0.00 0.00 65 E 9.15 4.73 0.00 1.91 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 2.21 2.24 0.00 66 Q 8.56 4.24 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00