NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9350 8.3544 109.7365 46.3609 0.0000 172.1876 2 S 4.3589 7.9500 110.5992 56.1387 64.7233 172.3661 3 S 4.5526 8.2217 117.9346 57.9968 65.8825 173.5628 4 G 4.2084 8.1632 108.6841 44.9237 0.0000 171.5040 5 S 4.6513 8.2043 111.2859 57.1859 65.3600 173.7006 6 S 4.8367 8.1145 115.9103 56.7870 65.5153 173.5964 7 G 4.0867 8.1477 107.8368 45.2396 0.0000 172.5583 8 R 4.3669 8.1766 117.2182 55.6602 31.7095 174.5707 9 K 4.1761 8.0847 118.0596 55.5824 33.3668 175.0884 10 K 4.1747 8.4877 126.8562 55.3201 32.6529 175.4868 11 P 4.5257 0.0000 0.0000 62.5591 32.2534 175.2780 12 V 4.3148 7.9897 117.6218 61.2310 33.1380 175.9097 13 S 4.3960 8.3912 123.8292 57.3981 61.4183 171.7156 14 Q 4.1363 8.2294 124.5089 55.1048 29.0375 175.3138 15 S 4.6817 8.4089 119.7883 56.7394 64.6183 172.5181 16 L 4.8090 8.0640 121.9625 53.3170 43.4069 176.3733 17 E 4.4645 8.3631 118.4667 56.7331 31.9260 176.8829 18 F 4.0398 8.2077 112.1832 56.0234 38.3173 173.7516 19 P 4.2585 0.0000 0.0000 65.3141 31.5332 176.5414 20 T 4.8110 7.7887 111.7844 59.1070 70.2163 173.3682 21 R 3.3458 8.9024 124.8524 59.0281 29.2940 176.2221 22 Y 4.8238 6.9311 114.5179 55.4121 40.9855 173.8433 23 S 4.8062 8.6350 117.5533 56.2103 63.9459 172.2198 24 P 4.4604 0.0000 0.0000 65.2999 31.5187 175.8743 25 Y 4.6711 7.8680 118.0263 55.2779 40.0220 174.5208 26 R 4.5774 6.9343 123.6363 53.5250 32.9119 174.9625 27 P 4.4235 0.0000 0.0000 64.9751 31.9371 175.6556 28 Y 4.6204 7.4902 114.8918 56.6249 39.2864 175.1021 29 R 4.8288 8.4967 122.8634 54.0271 33.9091 174.8230 30 C 4.1033 8.5876 123.6805 60.6179 31.3612 174.3936 31 V 3.8297 8.9341 119.6466 64.2021 31.6045 176.1974 32 H 3.8663 8.2665 115.8859 55.7554 28.2636 174.6740 33 Q 4.0675 8.6003 126.4623 58.1202 27.1781 175.1871 34 G 3.7004 7.8654 118.6854 45.3830 0.0000 172.0609 35 C 4.1757 7.4926 119.8689 57.5867 33.8943 174.1723 36 F 4.7133 7.9575 129.4995 55.9960 37.4834 174.7070 37 A 4.8187 7.1884 123.7092 50.4331 23.3986 175.3078 38 A 4.7881 7.6235 117.7864 51.6287 22.0939 176.2081 39 F 4.5877 8.7479 116.8514 56.4003 42.3055 174.8339 40 T 4.1467 9.1893 121.3402 66.9000 67.8110 175.1674 41 I 4.1475 7.6572 121.8192 60.3784 38.9431 176.6170 42 Q 3.2196 8.4121 124.9146 58.9888 28.8176 178.3560 43 Q 3.8738 7.8035 120.0223 59.2503 28.6598 177.6872 44 N 4.3329 7.5937 117.6633 55.6991 38.3963 176.6820 45 L 3.6190 7.0076 120.9328 57.0650 42.5263 178.2870 46 I 3.7674 7.9915 120.4712 64.2125 37.0432 177.8849 47 L 3.8984 7.8130 119.0501 58.3661 41.4788 178.8355 48 H 3.8889 7.2479 118.2227 59.9765 29.6547 176.6228 49 Y 3.9192 8.3572 117.8900 60.5183 37.6940 177.5467 50 Q 4.4554 8.8282 118.0259 56.8751 28.9695 177.0347 51 A 4.4006 7.7450 120.0425 52.4981 19.9188 177.9652 52 V 3.9951 7.6199 114.9449 64.5932 32.6570 176.4945 53 H 4.6197 7.6569 111.5939 54.9538 29.4022 175.2769 54 K 4.4625 8.3107 117.0266 56.0507 29.1809 172.9227 55 S 4.6597 8.4919 113.1957 57.4884 66.7028 173.0829 56 D 4.9063 8.1782 119.6842 51.9459 42.7064 176.6874 57 L 3.3089 8.0878 121.8586 54.1684 42.1886 176.3113 58 P 4.1765 0.0000 0.0000 62.1126 32.4172 174.8388 59 A 4.4444 7.6348 120.5602 50.9108 20.3636 176.0454 60 F 5.1746 8.2118 123.8231 57.1176 40.1817 174.7832 61 S 4.4809 7.7130 113.1656 58.0538 65.1075 172.4102 62 A 4.7754 8.1147 122.7152 49.8439 21.8804 176.2663 63 E 4.2554 8.5195 116.9077 56.8754 27.2268 175.6398 64 V 4.5067 7.6489 124.4006 62.1333 35.1593 174.7194 65 E 4.7876 8.6567 125.9569 56.2450 30.2705 174.4751 66 E 4.7243 8.0680 114.7947 54.6591 32.7106 174.3083 67 E 4.3103 8.4012 116.8645 57.1199 31.3583 177.5179 68 S 3.6981 7.9372 113.0396 59.2164 60.7722 172.7575 69 G 3.8987 7.8491 108.0243 44.0118 0.0000 173.5867 70 P 4.4313 0.0000 0.0000 61.7261 29.2428 176.1276 71 S 4.1692 8.2254 120.9358 58.4902 63.0192 173.8628 72 S 4.0139 8.3949 117.8754 59.9742 62.5310 174.5434 73 G 4.0488 8.6848 113.5121 45.8881 0.0000 173.2035 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 G 8.35 3.93 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 0.00 0.00 0.00 2 S 7.95 4.36 0.00 3.87 3.68 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 0.00 0.00 0.00 0.00 3 S 8.22 4.55 0.00 3.96 3.77 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 4 G 8.16 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.20 4.65 0.00 3.94 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 6 S 8.11 4.84 0.00 3.95 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 7 G 8.15 4.09 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 0.00 0.00 0.00 8 R 8.18 4.37 0.00 1.86 1.88 0.00 3.13 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 9 K 8.08 4.18 0.00 1.69 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 10 K 8.49 4.17 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 11 P 0.00 4.53 0.00 2.18 2.08 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 12 V 7.99 4.31 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 0.82 0.00 0.00 0.93 0.00 0.00 13 S 8.39 4.40 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 14 Q 8.23 4.14 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 15 S 8.41 4.68 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.06 4.81 0.00 1.74 1.75 1.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.36 4.46 0.00 1.93 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 2.19 2.27 0.00 18 F 8.21 4.04 0.00 3.10 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 19 P 0.00 4.26 0.00 2.23 2.23 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 20 T 7.79 4.81 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 21 R 8.90 3.35 0.00 1.80 2.03 0.00 2.99 0.00 0.00 2.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.70 0.00 22 Y 6.93 4.82 0.00 2.93 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 23 S 8.63 4.81 0.00 3.95 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 24 P 0.00 4.46 0.00 2.33 2.30 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 25 Y 7.87 4.67 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.93 4.58 0.00 1.64 1.71 0.00 3.17 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 27 P 0.00 4.42 0.00 1.96 2.29 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 28 Y 7.49 4.62 0.00 3.25 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 29 R 8.50 4.83 0.00 1.66 1.82 0.00 3.08 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 30 C 8.59 4.10 0.00 3.04 2.89 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 31 V 8.93 3.83 2.17 0.00 0.00 0.00 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 1.01 0.00 0.00 32 H 8.27 3.87 0.00 3.12 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.60 4.07 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 34 G 7.87 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 0.00 0.00 0.00 35 C 7.49 4.18 0.00 2.80 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 36 F 7.96 4.71 0.00 3.09 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 37 A 7.19 4.82 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.62 4.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 4.59 0.00 2.82 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 40 T 9.19 4.15 4.33 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 1.33 0.00 0.00 41 I 7.66 4.15 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 0.93 0.00 0.00 42 Q 8.41 3.22 0.00 1.59 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 43 Q 7.80 3.87 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 44 N 7.59 4.33 0.00 3.04 2.99 0.00 0.00 6.75 6.63 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 45 L 7.01 3.62 0.00 1.55 1.57 1.20 1.05 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 46 I 7.99 3.77 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.86 0.00 0.00 47 L 7.81 3.90 0.00 1.52 1.68 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.25 3.89 0.00 2.66 3.11 0.00 5.78 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 49 Y 8.36 3.92 0.00 3.28 3.21 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 0.00 0.00 0.00 0.00 50 Q 8.83 4.46 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 51 A 7.74 4.40 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 52 V 7.62 4.00 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 0.61 0.00 0.00 0.77 0.00 0.00 53 H 7.66 4.62 0.00 3.18 3.24 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.31 4.46 0.00 1.80 1.93 0.00 1.66 0.00 0.00 2.47 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.51 7.81 55 S 8.49 4.66 0.00 3.90 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 56 D 8.18 4.91 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.31 0.00 1.38 1.35 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.18 0.00 1.36 1.81 0.00 3.37 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 59 A 7.63 4.44 1.07 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 0.00 0.00 60 F 8.21 5.17 0.00 3.03 2.90 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 61 S 7.71 4.48 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.78 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 63 E 8.52 4.26 0.00 2.09 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 0.00 2.28 2.31 0.00 64 V 7.65 4.51 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 0.86 0.00 0.00 0.94 0.00 0.00 65 E 8.66 4.79 0.00 1.94 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 2.20 2.26 0.00 66 E 8.07 4.72 0.00 2.03 1.91 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 2.16 2.25 0.00 67 E 8.40 4.31 0.00 1.91 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 2.20 2.36 0.00 68 S 7.94 3.70 0.00 4.05 3.91 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 69 G 7.85 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 70 P 0.00 4.43 0.00 2.18 2.11 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 71 S 8.23 4.17 0.00 3.85 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 72 S 8.39 4.01 0.00 3.86 3.77 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 73 G 8.68 4.05 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 0.00