NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0750 8.3393 109.7330 45.5008 0.0000 171.2286 5 S 4.3176 9.1273 116.6884 58.1899 63.0981 174.2979 6 D 4.9361 8.9536 113.3544 52.0426 42.2973 174.2172 7 P 4.5856 0.0000 0.0000 61.0562 33.0791 175.0628 8 P 4.4565 0.0000 0.0000 62.9334 31.9834 175.8329 9 T 4.3039 8.1249 116.2886 62.1711 69.7382 174.5851 10 A 4.2839 8.3764 128.8722 52.0378 19.1329 177.6206 11 C 4.8561 8.4715 119.7195 55.1514 43.9845 174.0861 12 C 4.6626 8.3756 120.6678 55.5737 41.0618 173.7763 13 F 4.4785 8.4330 122.4753 57.4593 39.6132 175.7996 14 S 4.3821 7.3932 113.7750 57.0476 65.5078 172.9533 15 Y 5.0391 7.9186 119.8637 56.1599 39.8143 175.7022 16 T 3.9350 8.9035 118.2710 62.9182 67.7851 173.7992 17 A 4.6270 8.6177 129.0124 52.0909 19.9154 176.7999 18 R 4.5218 7.4178 115.5006 53.6047 32.3439 175.7834 19 K 2.6844 8.0919 124.0844 55.4417 32.7344 175.9765 20 L 3.9763 6.2202 126.1310 52.8012 42.6608 174.9455 21 P 4.0013 0.0000 0.0000 62.7588 31.9303 177.1482 22 R 3.2694 8.7606 122.9810 59.1135 29.9729 177.0089 23 N 4.9415 8.0099 112.6962 52.8533 37.6745 175.5785 24 F 4.4602 8.6132 120.4807 59.2282 39.7031 176.0065 25 V 4.7231 7.4193 119.3503 62.1177 32.2787 175.7893 26 V 4.6193 8.3515 115.8691 61.0210 34.7031 174.0137 27 D 4.8228 8.1953 118.9411 54.3883 44.6949 172.9240 28 Y 5.3770 8.3539 118.2315 56.6786 40.8942 172.6712 29 Y 4.4094 8.1359 116.8070 56.1049 41.8118 173.3471 30 E 5.2478 8.6826 119.1625 54.7710 31.9957 176.2677 31 T 4.3703 8.3001 112.7590 60.9953 70.2355 174.5087 32 S 4.1178 8.7993 117.3853 58.7664 62.7156 175.6268 33 S 4.2873 8.6076 120.6577 60.7204 62.8259 175.4892 34 L 4.0880 7.9493 120.9160 57.2572 40.8442 176.8138 35 C 4.6336 8.0276 116.8535 56.1009 40.8016 174.7837 36 S 4.1413 8.4339 115.7715 60.7937 62.9610 174.0501 37 Q 4.5974 7.1220 113.8660 53.8390 31.4704 172.5301 38 P 4.5125 0.0000 0.0000 62.7371 32.4300 175.5468 39 A 4.5477 7.8360 118.5675 51.3571 22.5437 175.1818 40 V 4.4598 8.0973 120.2667 60.9202 34.3493 174.5973 41 V 4.4238 8.1326 128.2426 61.1725 33.1784 174.4788 42 F 5.1837 8.8776 127.3436 56.8336 41.1787 174.8523 43 Q 5.3098 9.2593 121.6071 54.5390 31.2131 175.8214 44 T 4.7889 8.8680 115.0810 60.4526 70.8112 175.9028 45 K 3.8275 9.1456 123.6728 59.7476 32.0719 177.6238 46 R 4.0340 7.7187 114.8167 56.6715 29.9233 175.9960 47 S 4.1602 8.4495 110.1299 59.2590 61.3703 169.0470 48 K 4.5371 8.0454 118.2174 55.4554 33.9021 175.6844 49 Q 5.0778 8.5636 119.6370 54.2855 31.8015 175.2762 50 V 4.4781 8.8975 124.4439 60.9547 34.5501 173.9932 51 C 4.9965 9.0402 125.9050 57.0953 38.7423 172.5740 52 A 5.2077 9.4748 125.6003 49.7097 22.7971 174.8138 53 D 3.3700 8.1396 119.9900 52.9428 41.4568 175.6522 54 P 4.1292 0.0000 0.0000 64.8082 31.5274 177.2948 55 S 4.3461 7.9135 112.8921 58.9375 63.4393 174.6503 56 E 4.3103 7.4843 121.0493 55.0914 31.5475 177.1893 57 S 4.0345 8.4490 116.8284 61.3992 62.6129 176.7482 58 W 4.1168 8.0803 118.9490 59.3783 27.8799 178.2575 59 V 2.6383 6.3118 118.4434 65.6427 31.0991 177.8754 60 Q 4.1268 7.7157 116.8193 58.1061 28.4530 178.2503 61 E 3.9723 8.2768 121.0925 59.5908 29.8263 178.1936 62 Y 4.2216 8.6740 117.2497 61.2175 37.8930 178.9488 63 V 2.9665 7.8707 118.8392 65.9823 31.5509 177.6094 64 Y 3.7931 7.9909 115.8537 61.1394 37.8017 178.0771 65 D 4.4138 8.4641 118.9650 57.5449 41.0931 178.3618 66 L 4.1017 8.2725 118.6520 57.7475 41.6966 178.8090 67 E 4.2415 8.2047 118.5357 58.7916 29.7167 178.2921 68 L 4.2826 8.3810 118.0539 56.9680 42.3079 176.5651 69 N 4.5782 8.0941 119.1091 53.3277 38.7194 174.8639 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 4 G 8.34 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 0.00 0.00 0.00 5 S 9.13 4.32 0.00 4.01 3.43 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 0.00 6 D 8.95 4.94 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.15 2.04 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 8 P 0.00 4.46 0.00 2.21 2.10 0.00 3.75 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 1.99 0.00 9 T 8.12 4.30 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 1.18 0.00 0.00 10 A 8.38 4.28 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 11 C 8.47 4.86 0.00 2.65 2.34 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 12 C 8.38 4.66 0.00 2.85 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 13 F 8.43 4.48 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.39 4.38 0.00 3.90 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 15 Y 7.92 5.04 0.00 3.06 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 T 8.90 3.93 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 17 A 8.62 4.63 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 18 R 7.42 4.52 0.00 1.71 1.73 0.00 3.21 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 19 K 8.09 2.68 0.00 0.79 1.14 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.62 0.21 7.81 20 L 6.22 3.98 0.00 1.53 1.52 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.00 0.00 1.18 1.59 0.00 2.79 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.56 0.00 22 R 8.76 3.27 0.00 1.42 1.75 0.00 2.26 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 23 N 8.01 4.94 0.00 2.91 2.89 0.00 0.00 6.01 7.43 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 24 F 8.61 4.46 0.00 3.18 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 25 V 7.42 4.72 2.19 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 1.03 0.00 0.00 1.01 0.00 0.00 26 V 8.35 4.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.09 0.00 0.00 27 D 8.20 4.82 0.00 2.76 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 28 Y 8.35 5.38 0.00 2.56 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 29 Y 8.14 4.41 0.00 2.86 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 30 E 8.68 5.25 0.00 1.90 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 2.35 2.38 0.00 31 T 8.30 4.37 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 1.35 0.00 0.00 32 S 8.80 4.12 0.00 3.84 3.78 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 0.00 0.00 0.00 0.00 33 S 8.61 4.29 0.00 4.01 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 34 L 7.95 4.09 0.00 1.64 1.78 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.03 4.63 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.14 0.00 4.06 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 0.00 37 Q 7.12 4.60 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 38 P 0.00 4.51 0.00 2.06 2.01 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 A 7.84 4.55 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.10 4.46 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.69 0.00 0.00 41 V 8.13 4.42 0.67 0.00 0.00 0.00 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 0.72 0.00 0.00 42 F 8.88 5.18 0.00 3.19 3.05 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 43 Q 9.26 5.31 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 44 T 8.87 4.79 4.37 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 1.37 0.00 0.00 45 K 9.15 3.83 0.00 1.61 1.74 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 46 R 7.72 4.03 0.00 1.72 1.88 0.00 3.26 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 47 S 8.45 4.16 0.00 4.03 4.04 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 48 K 8.05 4.54 0.00 1.83 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.45 7.81 49 Q 8.56 5.08 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 50 V 8.90 4.48 2.35 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 1.17 0.00 0.00 1.08 0.00 0.00 51 C 9.04 5.00 0.00 3.09 3.16 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 0.00 0.00 0.00 0.00 52 A 9.47 5.21 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 53 D 8.14 3.37 0.00 2.04 2.19 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 54 P 0.00 4.13 0.00 1.94 1.94 0.00 3.34 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 55 S 7.91 4.35 0.00 3.86 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 56 E 7.48 4.31 0.00 1.54 1.72 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 2.21 2.23 0.00 57 S 8.45 4.03 0.00 3.87 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 58 W 8.08 4.12 0.00 3.26 3.16 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 0.00 0.00 0.00 0.00 59 V 6.31 2.64 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.52 0.00 0.00 60 Q 7.72 4.13 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 61 E 8.28 3.97 0.00 2.19 2.34 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 2.48 2.42 0.00 62 Y 8.67 4.22 0.00 3.11 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 63 V 7.87 2.97 1.90 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 0.53 0.00 0.00 0.44 0.00 0.00 64 Y 7.99 3.79 0.00 3.31 3.05 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 65 D 8.46 4.41 0.00 2.84 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 66 L 8.27 4.10 0.00 1.91 2.02 1.28 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.20 4.24 0.00 2.15 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 0.00 2.31 2.40 0.00 68 L 8.38 4.28 0.00 1.68 1.75 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.09 4.58 0.00 2.74 2.73 0.00 0.00 6.98 7.06 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