NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3577 8.1633 118.1942 56.2866 31.6633 174.8825 2 D 4.8586 8.2209 122.5924 55.1435 39.3426 173.0780 3 L 4.5428 8.0962 123.9380 55.6932 45.1142 178.6649 4 V 3.7899 7.7346 111.6572 63.9193 31.6748 176.7014 5 K 4.8047 7.9010 119.1968 56.7251 32.1325 176.2045 6 N 4.7176 7.7435 113.1676 54.6295 40.2564 176.1068 7 H 4.1807 7.7198 111.9408 56.9089 29.3524 178.0037 8 L 4.2472 7.3372 121.0644 58.9536 41.3260 179.1446 9 M 4.0481 8.4047 119.6696 58.7165 32.2793 177.4659 10 Y 4.2604 8.2616 115.3791 59.5185 38.2287 175.6036 11 A 4.2364 8.7657 125.0548 52.0860 25.7208 177.7286 12 V 3.6068 8.7393 113.5765 61.6727 29.8019 171.2742 13 R 3.8074 8.0174 119.6654 57.7312 30.1594 175.2295 14 E 4.2873 8.9300 118.7387 55.6920 28.3881 175.7746 15 E 4.2837 7.8465 116.8183 56.9871 31.3550 176.7843 16 V 3.8875 8.2119 117.1765 65.1135 31.5507 178.0290 17 E 4.0394 8.0296 118.2158 59.8772 29.0073 178.6486 18 I 3.8142 7.6747 113.3517 63.4441 37.7406 177.9848 19 L 4.1983 7.7939 120.0746 56.8569 41.9234 178.8890 20 K 4.0721 8.2558 118.6274 59.0118 31.9862 178.8463 21 E 4.0537 8.4086 119.6533 58.7574 29.5600 178.7456 22 Q 3.9866 7.6745 117.8869 58.8178 28.8551 178.1319 23 I 3.8262 7.9129 119.4853 63.5606 37.9628 177.8549 24 R 3.9308 8.1291 120.0032 59.0926 29.9490 177.8825 25 E 4.0070 8.4374 119.1459 58.7886 29.6619 178.5580 26 L 4.0651 8.0751 119.2819 57.2650 41.7343 179.1313 27 V 3.7725 8.0190 118.0630 65.1285 31.5359 177.6774 28 E 3.9951 8.3503 119.5028 58.8761 29.5054 178.7975 29 K 4.0150 8.2200 118.7331 59.3907 32.1939 178.9415 30 N 4.3543 8.3136 117.3549 56.4695 38.7965 176.9939 31 S 4.0820 8.0613 114.9522 61.3742 62.5160 175.9443 32 Q 3.9801 8.2459 122.2209 58.7860 28.7646 177.5988 33 L 4.1052 8.0263 121.2346 57.2478 42.1331 178.1659 34 E 4.0366 8.1869 119.5330 58.7658 29.7992 178.2756 35 R 3.9835 8.1961 118.8870 58.8774 30.1717 177.9167 36 E 4.0338 8.2077 119.3119 58.8780 29.6783 178.0282 37 N 4.3945 8.2574 117.2011 56.7043 39.0226 177.1683 38 T 3.9327 8.0890 117.4674 66.3563 68.5859 176.6481 39 L 4.0370 7.8960 121.9727 57.9422 42.1324 178.8671 40 L 4.1097 8.1127 118.9525 57.0987 41.6079 179.1359 41 K 4.0285 8.1975 120.0519 59.4821 32.0124 178.9106 42 T 4.4552 8.0265 117.3365 65.1837 68.2393 176.9066 43 L 3.9395 7.8568 121.5622 58.2653 42.3418 178.6043 44 A 4.3534 7.9415 119.4029 53.5015 19.4181 177.4803 45 S 4.5753 7.9852 114.4345 55.9434 63.2208 172.7222 46 P 4.6196 0.0000 0.0000 64.2107 32.1211 178.1917 47 E 4.2193 7.7897 119.9795 53.7028 28.1548 176.1172 48 Q 4.6619 6.6652 120.4710 53.8068 31.2060 173.4680 49 L 5.0682 7.2233 133.6118 56.1777 43.1042 174.9252 50 E 3.7019 8.4365 117.6296 59.9364 29.6994 179.6297 51 K 4.6272 6.7407 119.0354 58.4047 33.7762 174.3959 52 F 5.2353 5.9230 114.4551 56.9518 40.0266 174.1511 53 Q 3.0368 8.3753 111.6607 56.6150 29.5311 176.4831 54 S 4.7922 9.1141 123.0682 57.2185 63.1242 176.1069 55 R 5.5715 6.9466 122.5008 57.5189 30.6239 174.6990 56 L 4.5015 7.8548 116.2550 56.8055 42.3329 176.2523 57 S 4.3655 7.6843 116.4690 55.4609 64.6262 172.2157 58 P 4.6455 0.0000 0.0000 63.7149 32.2823 176.3021 59 E 5.3614 10.2624 130.6780 56.0259 27.8128 178.6335 60 E 3.5743 9.3310 117.2893 56.6072 26.9951 172.7270 61 P 4.5427 0.0000 0.0000 62.2043 32.9069 175.9396 62 A 4.4206 7.9945 120.5788 50.8137 21.3471 174.8334 63 P 4.5903 0.0000 0.0000 62.3344 33.4313 176.6730 64 E 4.2047 8.5899 116.5112 56.9518 27.2026 176.7326 65 T 4.6149 7.7037 113.3487 58.4011 71.3911 173.4441 66 P 4.4478 0.0000 0.0000 62.6052 32.1952 175.1945 67 E 4.7032 8.3224 119.1468 54.0490 32.8282 175.1547 68 A 4.1589 8.2402 122.4249 51.3641 19.0023 176.1720 69 P 4.5312 0.0000 0.0000 62.9267 30.6782 174.3443 70 E 4.7801 7.6699 125.0845 55.6758 37.4300 177.6970 71 A 5.2027 7.7384 130.0474 53.1509 18.0686 175.1580 72 P 4.5830 0.0000 0.0000 62.3201 33.5046 175.9609 73 G 4.0480 8.4718 105.4138 44.8967 0.0000 174.6008 74 G 3.6519 8.7523 111.0489 45.3097 0.0000 175.3057 75 S 4.4945 8.6466 123.7589 57.2923 63.5681 173.0900 76 A 4.1600 8.2168 127.5601 53.2431 23.0008 176.6164 77 V 3.6881 8.6417 115.0430 62.5436 32.3737 171.9354 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 8.16 4.36 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 2 D 8.22 4.86 0.00 2.89 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 3 L 8.10 4.54 0.00 1.50 1.55 0.86 0.97 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 4 V 7.73 3.79 2.18 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 0.86 0.00 0.00 1.00 0.00 0.00 5 K 7.90 4.80 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 6 N 7.74 4.72 0.00 2.70 2.62 0.00 0.00 6.79 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 7 H 7.72 4.18 0.00 1.40 2.95 0.00 5.51 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.34 4.25 0.00 2.05 2.03 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.40 4.05 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 10 Y 8.26 4.26 0.00 3.07 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 11 A 8.77 4.24 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.61 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 0.73 0.00 0.00 0.97 0.00 0.00 13 R 8.02 3.81 0.00 1.96 2.08 0.00 3.19 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 14 E 8.93 4.29 0.00 2.04 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 15 E 7.85 4.28 0.00 2.05 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 2.41 2.38 0.00 16 V 8.21 3.89 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 1.16 0.00 0.00 0.93 0.00 0.00 17 E 8.03 4.04 0.00 2.05 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 2.39 2.36 0.00 18 I 7.67 3.81 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 0.95 0.00 0.00 19 L 7.79 4.20 0.00 1.71 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.26 4.07 0.00 1.99 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.58 7.81 21 E 8.41 4.05 0.00 2.31 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 2.30 2.39 0.00 22 Q 7.67 3.99 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 23 I 7.91 3.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.98 0.00 0.00 24 R 8.13 3.93 0.00 1.98 1.93 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 25 E 8.44 4.01 0.00 2.23 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 2.30 2.35 0.00 26 L 8.08 4.07 0.00 2.00 1.69 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.02 3.77 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 1.08 0.00 0.00 0.94 0.00 0.00 28 E 8.35 4.00 0.00 2.15 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 2.30 2.34 0.00 29 K 8.22 4.02 0.00 2.15 1.84 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 30 N 8.31 4.35 0.00 2.92 2.80 0.00 0.00 6.87 6.97 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 31 S 8.06 4.08 0.00 4.15 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 32 Q 8.25 3.98 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 33 L 8.03 4.11 0.00 1.94 1.64 0.92 0.66 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 34 E 8.19 4.04 0.00 2.32 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 2.30 2.36 0.00 35 R 8.20 3.98 0.00 1.90 1.90 0.00 3.30 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 36 E 8.21 4.03 0.00 2.11 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 2.30 2.31 0.00 37 N 8.26 4.39 0.00 2.88 2.82 0.00 0.00 7.21 6.84 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 38 T 8.09 3.93 4.28 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 1.24 0.00 0.00 39 L 7.90 4.04 0.00 2.00 1.66 0.93 0.43 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 40 L 8.11 4.11 0.00 2.05 1.70 0.96 0.49 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 41 K 8.20 4.03 0.00 2.03 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 T 8.03 4.46 4.31 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 1.23 0.00 0.00 43 L 7.86 3.94 0.00 1.94 1.69 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.94 4.35 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.99 4.58 0.00 4.03 3.76 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 46 P 0.00 4.62 0.00 2.17 2.24 0.00 3.36 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 47 E 7.79 4.22 0.00 1.96 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 2.28 2.27 0.00 48 Q 6.67 4.66 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.19 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 49 L 7.22 5.07 0.00 1.68 1.53 1.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.44 3.70 0.00 1.88 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 2.25 2.27 0.00 51 K 6.74 4.63 0.00 1.51 1.33 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.42 1.45 7.81 52 F 5.92 5.24 0.00 3.06 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 53 Q 8.38 3.04 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 54 S 9.11 4.79 0.00 4.12 4.12 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 0.00 0.00 0.00 55 R 6.95 5.57 0.00 1.99 2.11 0.00 3.00 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 56 L 7.85 4.50 0.00 1.45 1.50 -0.17 0.53 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 57 S 7.68 4.37 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.21 2.20 0.00 4.05 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 2.02 1.99 0.00 59 E 10.26 5.36 0.00 2.08 1.78 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 2.09 2.14 0.00 60 E 9.33 3.57 0.00 2.20 2.01 0.00 0.00 0.00 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 2.56 0.00 61 P 0.00 4.54 0.00 2.19 2.10 0.00 3.82 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 2.00 1.97 0.00 62 A 7.99 4.42 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 63 P 0.00 4.59 0.00 2.20 2.12 0.00 3.78 0.00 0.00 3.59 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 64 E 8.59 4.20 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 2.29 2.36 0.00 65 T 7.70 4.61 4.25 0.00 0.00 0.00 0.00 0.00 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 66 P 0.00 4.45 0.00 2.20 2.09 0.00 3.71 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 1.99 1.98 0.00 67 E 8.32 4.70 0.00 1.94 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 2.19 2.26 0.00 68 A 8.24 4.16 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 69 P 0.00 4.53 0.00 2.19 2.12 0.00 3.81 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 1.98 1.98 0.00 70 E 7.67 4.78 0.00 1.92 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 0.00 2.16 2.24 0.00 71 A 7.74 5.20 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 72 P 0.00 4.58 0.00 2.19 2.11 0.00 3.68 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 1.98 1.96 0.00 73 G 8.47 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 74 G 8.75 3.65 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 75 S 8.65 4.49 0.00 3.86 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 76 A 8.22 4.16 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 77 V 8.64 3.69 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 0.93 0.00 0.00