NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9002 8.3544 109.7361 45.8363 0.0000 175.1823 2 S 4.5107 7.5852 115.5060 54.9575 62.0340 170.6790 3 S 4.3235 8.4423 116.5919 58.3655 66.0422 174.4454 4 G 3.7676 8.2450 110.9788 45.1848 0.0000 172.7538 5 S 4.2185 8.1543 121.1005 58.3036 63.5643 175.2549 6 S 4.0503 8.5754 117.9686 60.2191 62.2887 174.6632 7 G 4.1720 8.5412 108.2005 46.0962 0.0000 171.7278 8 L 4.7204 7.5839 122.9372 52.4869 45.7895 176.4684 9 E 4.1869 8.6966 121.6873 56.7429 30.4381 176.1522 10 Q 5.3481 8.6840 125.0515 54.8140 29.5335 175.1001 11 Y 4.7177 8.8081 122.2964 56.1318 41.1136 175.1191 12 V 4.7612 8.1192 122.4121 60.1881 33.8349 175.7597 13 V 4.3106 8.7683 124.2460 62.8477 32.1565 176.5484 14 V 4.3247 8.4983 117.5779 61.6644 34.0787 175.8118 15 S 4.7348 7.8870 112.9057 56.1427 65.8092 174.0538 16 N 5.2355 8.8855 122.8458 51.9761 36.7658 173.6692 17 Y 3.8894 8.7087 127.1880 57.7831 40.4841 174.4891 18 K 4.7512 7.5071 125.6808 54.1819 33.2301 176.5215 19 K 4.3898 8.8922 125.0829 57.2579 33.2430 176.5021 20 Q 4.4618 8.9174 119.0343 56.6439 30.8251 174.8777 21 E 4.8536 7.7136 115.3014 54.0189 32.9307 176.2768 22 N 4.4844 8.6958 116.1730 56.9229 39.0839 177.4219 23 S 4.3310 8.2269 113.9652 61.7182 63.2132 174.2673 24 E 4.5004 7.2698 114.9783 57.0501 29.8964 176.3681 25 L 4.9310 8.4190 120.4968 52.9207 45.4148 177.0662 26 S 5.2785 8.2039 115.8688 56.1262 61.5319 173.6499 27 L 4.3005 7.9748 126.4146 55.6735 43.4361 175.9572 28 Q 4.9124 8.5008 121.6986 53.7975 32.1028 174.6004 29 A 4.1317 8.6178 127.6771 54.5518 18.5912 177.0530 30 G 4.0636 8.6516 111.7267 45.4642 0.0000 173.5835 31 E 4.1246 8.3042 120.6156 56.6704 30.9079 175.8449 32 V 4.8570 8.2754 123.3397 61.3926 34.1926 174.7961 33 V 4.6325 8.5717 119.6452 59.6339 36.4585 173.7376 34 D 4.8725 8.1037 119.2892 52.6171 43.9216 176.0321 35 V 3.8053 8.9111 125.6650 63.4322 31.3059 175.8214 36 I 4.0067 8.6380 130.0680 63.5897 37.9889 175.7282 37 E 4.7367 7.6777 118.4590 54.6707 34.3870 174.0881 38 K 4.4329 8.2296 117.8310 54.9084 36.2421 175.5818 39 N 5.0778 8.7751 121.3395 51.7428 41.0146 175.2863 40 E 4.0646 9.3008 125.4828 59.6673 29.8541 178.7256 41 S 4.3019 8.4332 112.2885 60.9490 62.8466 173.9420 42 G 3.6901 8.3896 111.4100 45.1818 0.0000 173.4398 43 W 4.7017 8.6141 122.4924 56.7134 30.0170 175.5495 44 W 5.1138 9.6302 125.4681 55.1184 31.7335 175.3314 45 F 4.2857 8.3015 125.8260 56.9405 39.6147 175.2013 46 V 4.7711 7.5995 119.5767 58.8992 35.1859 175.0892 47 S 4.6109 7.9806 115.6522 56.9460 65.3206 172.8454 48 T 4.7661 8.5869 116.8065 59.6071 71.4083 175.4684 49 S 4.2692 8.7894 117.9892 61.8731 62.7668 176.0984 50 E 4.1054 7.3552 119.7485 58.2088 29.7018 176.9938 51 E 4.7068 8.3075 114.9962 55.6492 34.2177 173.9534 52 Q 4.7530 8.2174 117.9187 54.6244 31.6044 175.2982 53 G 4.6548 7.9716 106.3824 46.7717 0.0000 171.2313 54 W 5.4072 9.1298 119.3735 55.1545 31.1140 176.3698 55 V 4.6521 9.0562 116.9394 58.5703 36.1323 173.4125 56 P 3.9536 0.0000 0.0000 62.1458 32.0509 177.5278 57 A 3.3886 7.8334 123.4050 55.0117 18.3728 179.9856 58 T 3.7562 7.7183 105.1595 64.5844 68.5141 174.0880 59 Y 4.4763 7.9724 119.4348 57.5661 38.2740 174.5349 60 L 5.1005 7.8373 118.4756 53.1726 46.0845 175.5492 61 E 4.7247 9.2536 122.6671 54.0192 33.3493 174.6966 62 A 3.0255 8.5470 127.6208 51.7993 18.0132 177.2622 63 Q 3.9665 8.4193 121.1239 59.7476 29.0252 178.1188 64 N 4.4543 7.6636 113.5069 52.9279 38.1720 174.6563 65 S 4.3006 8.6295 115.5080 58.9068 63.2118 175.0335 66 G 4.8543 7.1890 114.0233 45.1528 0.0000 170.1400 67 P 4.4657 0.0000 0.0000 62.8900 32.5566 178.4428 68 S 4.4257 8.1477 115.9548 57.1179 61.2724 173.5105 69 S 4.0858 8.0542 118.7087 59.0985 63.1250 174.3634 70 G 4.0551 8.7220 114.6677 45.8896 0.0000 173.0828 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 3.90 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 2 S 7.59 4.51 0.00 3.89 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 3 S 8.44 4.32 0.00 3.96 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 4 G 8.24 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 0.00 0.00 0.00 5 S 8.15 4.22 0.00 3.87 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 S 8.58 4.05 0.00 3.82 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 7 G 8.54 4.17 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 0.00 8 L 7.58 4.72 0.00 1.73 1.50 0.88 0.97 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 9 E 8.70 4.19 0.00 2.04 2.33 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 2.47 2.38 0.00 10 Q 8.68 5.35 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 11 Y 8.81 4.72 0.00 2.94 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 12 V 8.12 4.76 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 0.67 0.00 0.00 1.03 0.00 0.00 13 V 8.77 4.31 2.28 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 1.22 0.00 0.00 1.00 0.00 0.00 14 V 8.50 4.32 1.98 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 0.78 0.00 0.00 0.75 0.00 0.00 15 S 7.89 4.73 0.00 3.59 3.14 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 0.00 0.00 0.00 0.00 16 N 8.89 5.24 0.00 2.84 2.93 0.00 0.00 6.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.71 3.89 0.00 2.83 2.76 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 0.00 0.00 0.00 18 K 7.51 4.75 0.00 1.44 1.66 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.35 7.81 19 K 8.89 4.39 0.00 1.97 1.93 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.53 7.81 20 Q 8.92 4.46 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 21 E 7.71 4.85 0.00 1.98 1.86 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 2.29 2.22 0.00 22 N 8.70 4.48 0.00 2.71 2.91 0.00 0.00 6.89 7.59 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 23 S 8.23 4.33 0.00 3.93 4.02 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 24 E 7.27 4.50 0.00 2.06 2.12 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 2.44 2.64 0.00 25 L 8.42 4.93 0.00 1.45 1.53 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.20 5.28 0.00 3.92 3.96 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 27 L 7.97 4.30 0.00 1.71 1.67 0.90 0.62 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 28 Q 8.50 4.91 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 A 8.62 4.13 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 30 G 8.65 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 31 E 8.30 4.12 0.00 2.28 1.86 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 2.33 2.33 0.00 32 V 8.28 4.86 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 0.84 0.00 0.00 0.93 0.00 0.00 33 V 8.57 4.63 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 0.93 0.00 0.00 1.04 0.00 0.00 34 D 8.10 4.87 0.00 2.82 2.49 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 35 V 8.91 3.81 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 0.54 0.00 0.00 1.00 0.00 0.00 36 I 8.64 4.01 1.79 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.95 0.00 0.00 37 E 7.68 4.74 0.00 1.81 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 2.29 2.30 0.00 38 K 8.23 4.43 0.00 1.16 0.93 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.54 7.81 39 N 8.78 5.08 0.00 3.25 3.04 0.00 0.00 7.25 7.68 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 40 E 9.30 4.06 0.00 2.06 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 0.00 2.37 2.36 0.00 41 S 8.43 4.30 0.00 4.17 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 42 G 8.39 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 W 8.61 4.70 0.00 3.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.63 5.11 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.29 0.00 1.51 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 46 V 7.60 4.77 1.95 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 1.16 0.00 0.00 0.85 0.00 0.00 47 S 7.98 4.61 0.00 3.46 3.37 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 0.00 48 T 8.59 4.77 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 1.17 0.00 0.00 49 S 8.79 4.27 0.00 3.87 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 50 E 7.36 4.11 0.00 2.06 1.97 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 2.35 2.28 0.00 51 E 8.31 4.71 0.00 2.00 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 0.00 2.25 2.45 0.00 52 Q 8.22 4.75 0.00 2.09 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 53 G 7.97 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.13 5.41 0.00 3.22 3.49 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 55 V 9.06 4.65 1.73 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 0.22 0.00 0.00 0.87 0.00 0.00 56 P 0.00 3.95 0.00 1.99 1.34 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.76 0.00 57 A 7.83 3.39 0.53 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 0.00 0.00 58 T 7.72 3.76 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 59 Y 7.97 4.48 0.00 3.19 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 60 L 7.84 5.10 0.00 1.32 1.57 0.69 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.25 4.72 0.00 1.96 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 0.00 2.12 2.18 0.00 62 A 8.55 3.03 1.13 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 0.00 0.00 63 Q 8.42 3.97 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 64 N 7.66 4.45 0.00 2.79 2.77 0.00 0.00 5.88 7.62 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 65 S 8.63 4.30 0.00 3.82 3.89 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 66 G 7.19 4.85 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 0.00 0.00 0.00 67 P 0.00 4.47 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 68 S 8.15 4.43 0.00 3.88 3.87 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 69 S 8.05 4.09 0.00 3.83 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 70 G 8.72 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