NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4697 8.2893 120.3261 54.1433 33.5512 174.4667 2 P 4.3049 0.0000 0.0000 62.5043 32.5281 174.7061 3 R 4.3839 9.6151 123.0698 56.3696 32.1413 176.4989 4 L 4.8342 9.2576 123.3337 53.0932 44.1092 175.4681 5 K 4.7829 8.3583 125.4789 55.6185 33.9414 175.9465 6 V 4.8357 8.6271 119.9574 59.9327 35.7112 173.8726 7 K 5.2738 8.6526 127.5872 53.8026 34.5023 175.0582 8 L 4.6648 8.3675 128.8561 55.2508 43.0195 177.0309 9 V 4.2118 8.9845 116.5199 62.1091 35.6144 175.8864 10 K 4.4656 7.8869 120.1511 54.0216 33.5673 175.6049 11 S 4.2221 8.6668 121.2979 57.9245 62.8856 172.2236 12 P 4.6330 0.0000 0.0000 63.8686 31.6300 176.2323 13 I 3.8732 7.0898 119.6605 63.2802 37.3904 176.5836 14 G 3.9759 8.8681 112.1429 45.9756 0.0000 173.4799 15 Y 4.2586 7.7048 117.6099 56.7040 38.5878 173.4747 16 P 4.2111 0.0000 0.0000 62.3024 32.6254 176.6986 17 K 3.8553 9.0851 122.9559 59.8496 31.8774 178.2970 18 D 4.3888 8.2328 118.6392 57.1629 39.0031 178.8913 19 Q 4.0084 7.8786 119.8242 57.9716 28.6086 178.7475 20 K 3.8760 7.9917 119.4743 59.7568 32.1571 179.0702 21 A 4.1497 8.0236 120.3121 54.5201 18.2833 179.6740 22 A 3.8965 7.7613 119.2020 55.5075 18.5878 179.6826 23 L 4.1854 7.9236 117.3008 57.5626 41.5724 179.8939 24 K 3.9232 7.6225 118.3240 59.4112 31.9722 178.8145 25 A 4.0787 7.8329 119.9581 54.8808 18.3513 178.8122 26 L 4.3138 8.2981 114.7942 54.4288 41.5328 177.3968 27 G 3.9705 7.6677 106.3440 46.5697 0.0000 175.4022 28 L 4.5314 7.9103 121.9502 52.2726 40.2725 177.1452 29 R 3.6016 8.5045 118.9001 58.2169 30.1137 178.8413 30 R 4.5909 8.0035 119.6780 54.1242 32.7311 176.0716 31 L 4.0602 8.0898 118.7005 56.1173 42.5383 176.5244 32 Q 4.0710 8.3769 120.2732 56.7778 27.2035 173.0403 33 Q 4.4068 7.3913 120.0416 55.1309 30.2376 175.5272 34 E 4.5304 8.8300 125.8600 56.2724 31.2541 176.5901 35 R 4.4269 7.6789 116.3594 56.1977 33.8112 172.3869 36 V 4.9281 8.3759 126.6724 61.2395 32.8062 174.6096 37 L 4.6132 9.0767 127.0499 54.3174 44.1913 174.4586 38 E 4.1327 8.7441 119.3238 57.1021 30.1165 177.4951 39 D 4.7325 8.1503 124.0910 53.2713 39.9655 175.6369 40 T 4.5627 7.7983 114.0099 58.6717 71.9366 174.8714 41 P 4.1979 0.0000 0.0000 65.8012 31.2472 178.8876 42 A 4.0988 7.9306 118.8797 54.6612 18.4899 179.6920 43 I 3.6520 7.8999 118.7052 64.6813 37.2283 178.5654 44 R 4.0099 7.9924 118.9733 59.2950 29.6840 179.0209 45 G 3.9387 7.6762 103.9618 48.2288 0.0000 175.1637 46 N 4.4493 7.7544 118.1149 56.0949 39.0924 177.6382 47 V 3.5758 7.6106 119.0778 66.0798 31.3862 177.6240 48 E 3.9102 8.6718 119.3264 59.1204 29.3176 178.6046 49 K 3.9221 7.6682 117.1632 59.7419 32.4462 179.2693 50 V 3.6965 6.9995 108.9029 61.4203 31.1536 177.7001 51 A 3.9209 7.7585 125.1360 55.8475 18.1257 180.2248 52 H 4.3648 7.9619 105.4894 56.6182 28.2891 175.3671 53 L 4.8027 8.1361 117.7372 54.5285 44.3396 176.2216 54 V 4.9349 7.9930 111.5318 59.8830 36.1904 174.3899 55 R 4.5845 8.6728 122.8909 54.5361 32.4872 175.2063 56 V 4.6526 8.3465 123.7419 61.6104 32.9194 175.2326 57 E 4.5851 9.1055 128.4254 55.1647 32.3618 174.9229 58 V 4.4468 8.0436 119.2622 61.3992 34.5533 175.3575 59 V 4.0878 8.7743 126.8631 63.2928 31.8807 174.2334 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 8.29 4.47 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.30 0.00 2.19 2.17 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 9.62 4.38 0.00 1.91 1.88 0.00 3.10 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 9.26 4.83 0.00 1.52 1.56 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.36 4.78 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 V 8.63 4.84 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 0.69 0.00 0.00 0.96 0.00 0.00 7 K 8.65 5.27 0.00 1.83 1.63 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.32 7.81 8 L 8.37 4.66 0.00 1.75 1.49 0.90 0.98 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 9 V 8.98 4.21 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 0.76 0.00 0.00 0.95 0.00 0.00 10 K 7.89 4.47 0.00 1.71 1.72 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 S 8.67 4.22 0.00 3.90 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 12 P 0.00 4.63 0.00 2.31 2.29 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 13 I 7.09 3.87 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.91 0.00 0.00 14 G 8.87 3.98 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 0.00 0.00 0.00 15 Y 7.70 4.26 0.00 3.32 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 16 P 0.00 4.21 0.00 2.35 2.04 0.00 3.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 17 K 9.09 3.86 0.00 1.80 1.85 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 18 D 8.23 4.39 0.00 2.92 2.95 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 19 Q 7.88 4.01 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 20 K 7.99 3.88 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.81 1.66 7.81 21 A 8.02 4.15 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 22 A 7.76 3.90 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 23 L 7.92 4.19 0.00 1.85 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.62 3.92 0.00 1.87 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.83 4.08 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 26 L 8.30 4.31 0.00 1.56 1.69 0.89 0.92 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 27 G 7.67 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 0.00 0.00 0.00 28 L 7.91 4.53 0.00 1.79 1.63 0.89 0.79 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 29 R 8.50 3.60 0.00 1.81 1.80 0.00 3.29 0.00 0.00 3.27 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 30 R 8.00 4.59 0.00 1.89 1.94 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 31 L 8.09 4.06 0.00 1.75 1.57 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.38 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 33 Q 7.39 4.41 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 34 E 8.83 4.53 0.00 1.89 1.87 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 2.31 2.25 0.00 35 R 7.68 4.43 0.00 1.91 1.92 0.00 3.12 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 36 V 8.38 4.93 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 0.87 0.00 0.00 0.93 0.00 0.00 37 L 9.08 4.61 0.00 1.70 1.70 0.91 0.78 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 38 E 8.74 4.13 0.00 1.87 1.93 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 2.31 2.32 0.00 39 D 8.15 4.73 0.00 3.01 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 40 T 7.80 4.56 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 1.26 0.00 0.00 41 P 0.00 4.20 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.93 4.10 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 43 I 7.90 3.65 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.92 0.00 0.00 44 R 7.99 4.01 0.00 2.00 1.98 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 G 7.68 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 0.00 0.00 0.00 46 N 7.75 4.45 0.00 3.03 2.85 0.00 0.00 6.67 7.56 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 47 V 7.61 3.58 2.15 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 0.97 0.00 0.00 0.97 0.00 0.00 48 E 8.67 3.91 0.00 2.30 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 2.39 0.00 49 K 7.67 3.92 0.00 1.77 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.74 7.81 50 V 7.00 3.70 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 0.72 0.00 0.00 0.94 0.00 0.00 51 A 7.76 3.92 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 52 H 7.96 4.36 0.00 3.19 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.14 4.80 0.00 1.51 1.67 0.25 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.99 4.93 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 0.62 0.00 0.00 0.94 0.00 0.00 55 R 8.67 4.58 0.00 1.72 1.81 0.00 3.25 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 56 V 8.35 4.65 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 0.86 0.00 0.00 0.91 0.00 0.00 57 E 9.11 4.59 0.00 1.87 1.87 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 2.26 2.38 0.00 58 V 8.04 4.45 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 0.77 0.00 0.00 0.93 0.00 0.00 59 V 8.77 4.09 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 0.83 0.00 0.00 0.93 0.00 0.00