NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9043 8.3544 109.7340 45.9140 0.0000 175.1906 2 S 3.9703 7.9494 116.5795 59.3982 63.0952 173.0459 3 S 4.7593 7.7736 112.6739 56.7596 67.8871 172.9027 4 G 4.0575 8.3784 108.8949 44.1473 0.0000 172.7573 5 S 4.5299 8.5964 120.2565 56.9223 62.7933 174.7199 6 S 4.6655 8.0435 127.6326 57.5291 63.1102 174.9223 7 G 3.8802 7.5915 108.2339 44.7450 0.0000 173.1823 8 C 4.7416 8.7861 120.4728 58.9666 31.9332 174.3607 9 S 4.3270 7.9977 119.5392 58.9812 62.5475 174.8386 10 A 4.4178 8.0377 122.5323 55.0447 18.9676 177.9690 11 C 4.3572 7.9423 108.7319 58.7468 30.8284 174.7968 12 G 4.4873 8.5009 106.7586 44.3261 0.0000 172.9214 13 E 4.1397 8.1553 118.9225 57.2361 31.0306 175.7856 14 T 4.6465 8.2341 117.0093 62.1037 69.3518 175.3720 15 V 3.8213 7.6982 128.6334 62.9074 31.2890 175.6700 16 M 4.4856 8.6435 128.1275 53.5646 33.1858 175.7049 17 P 4.3533 0.0000 0.0000 64.9947 31.8727 176.4851 18 G 4.0008 7.1518 108.9103 45.3409 0.0000 173.3484 19 S 4.4591 7.5246 110.2449 56.5702 65.3892 174.7028 20 R 4.1390 8.4274 124.2927 56.8998 30.7339 175.8028 21 K 4.8589 8.5242 122.1539 55.2746 36.5047 175.0375 22 L 4.9502 8.9631 118.6640 53.3639 46.2568 176.4229 23 E 5.5798 8.4622 120.3068 56.0727 33.2595 174.3783 24 Y 4.5819 8.8653 121.9424 57.2569 41.8188 175.9295 25 G 3.9928 10.2985 110.1182 46.2886 0.0000 173.0137 26 G 4.1156 8.4570 108.9228 46.1453 0.0000 174.7026 27 Q 3.9824 7.9727 118.2817 55.7693 29.6398 174.8395 28 T 4.8883 6.8385 113.9172 62.0890 72.6591 173.5093 29 W 5.2036 9.1239 125.7764 54.8578 33.4944 174.7682 30 H 4.7243 8.8115 119.4021 55.4921 29.0601 176.2719 31 E 4.1668 8.4956 121.8848 58.6571 29.5788 177.2511 32 H 4.8895 8.0461 111.1528 56.0290 30.3179 175.0350 33 C 4.2295 8.3817 117.9047 61.8513 28.5804 173.3513 34 F 3.9961 8.1590 122.9139 58.5981 38.9146 173.9225 35 L 4.7114 7.4683 124.9843 52.4734 45.5300 175.0170 36 C 4.2183 8.2399 119.7209 58.1892 33.0318 173.6315 37 S 4.5439 8.4916 119.8705 58.4493 61.9249 174.3993 38 G 4.1125 8.1659 106.1244 46.5086 0.0000 174.0415 39 C 4.5669 8.0311 111.3480 56.4434 30.7268 173.1085 40 E 4.1162 7.8576 117.8225 57.0640 26.6464 174.0265 41 Q 4.4665 7.6134 116.2683 53.5149 30.4944 174.1618 42 P 4.8401 0.0000 0.0000 62.8916 29.8251 176.6078 43 L 4.2614 8.2220 124.2179 55.8521 41.5072 179.3068 44 G 3.9334 7.7181 108.1654 47.3144 0.0000 174.4758 45 S 4.5086 7.9280 112.2317 58.5261 64.7719 174.2120 46 R 4.5537 7.7716 114.6921 54.4952 30.8951 176.0864 47 S 4.5118 8.4393 115.6592 59.0975 63.5230 172.9046 48 F 4.7678 7.5540 115.4499 56.6805 40.5155 172.9015 49 V 3.8994 9.0696 118.9500 60.1409 33.9811 173.1059 50 P 4.5677 0.0000 0.0000 63.3427 31.6405 175.0700 51 D 4.9776 9.1429 126.3738 51.6941 43.6023 173.5110 52 K 4.0557 9.0549 120.2650 57.0815 31.2718 175.8747 53 G 4.1235 8.7826 111.6743 45.5507 0.0000 170.7028 54 A 4.1838 7.9996 120.1832 50.0274 22.8149 175.8041 55 H 4.8648 7.9553 119.8662 54.5913 30.2919 173.4943 56 Y 5.1815 8.2705 121.7591 55.7472 40.8363 176.2117 57 C 4.6124 8.9063 118.6730 57.6733 30.8537 174.5399 58 V 3.6636 8.7346 118.7932 65.8780 30.7488 176.0027 59 P 4.2469 0.0000 0.0000 66.3594 31.2704 178.0382 60 C 4.3157 8.3185 116.6469 61.6375 27.9396 175.1369 61 Y 4.3557 8.3134 121.2242 60.1697 38.7529 177.3102 62 E 3.9784 8.3691 117.5955 58.5491 29.7999 178.4888 63 N 4.4808 8.6159 118.4018 56.1242 38.9863 177.1285 64 K 3.8346 7.3459 118.0012 59.3515 32.8439 177.4806 65 F 4.2186 7.9993 116.4274 56.8908 38.7848 174.9933 66 A 4.6543 7.2626 123.6208 50.2676 20.4283 177.6882 67 S 4.3489 8.5101 116.6444 57.5469 64.3721 174.1893 68 G 4.0713 7.9355 112.6401 44.4524 0.0000 171.9200 69 P 4.4196 0.0000 0.0000 63.4748 31.6865 176.6013 70 S 3.9517 7.2971 114.1623 59.1903 63.0974 174.4671 71 S 4.1591 9.0320 120.4916 60.6822 62.5398 173.9809 72 G 3.7230 7.8843 111.8883 45.5330 0.0000 172.7204 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 7.95 3.97 0.00 3.92 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 3 S 7.77 4.76 0.00 3.81 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 4 G 8.38 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 5 S 8.60 4.53 0.00 3.79 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 6 S 8.04 4.67 0.00 3.79 3.73 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 0.00 0.00 0.00 0.00 7 G 7.59 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 0.00 0.00 0.00 8 C 8.79 4.74 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.00 4.33 0.00 3.28 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 10 A 8.04 4.42 1.49 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 0.00 0.00 11 C 7.94 4.36 0.00 3.14 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 12 G 8.50 4.49 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 0.00 0.00 0.00 13 E 8.16 4.14 0.00 2.02 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 2.44 2.35 0.00 14 T 8.23 4.65 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 1.20 0.00 0.00 15 V 7.70 3.82 2.16 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 0.66 0.00 0.00 0.59 0.00 0.00 16 M 8.64 4.49 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 17 P 0.00 4.35 0.00 2.16 2.16 0.00 3.75 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 1.95 0.00 18 G 7.15 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 0.00 0.00 0.00 19 S 7.52 4.46 0.00 3.80 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 20 R 8.43 4.14 0.00 1.81 1.96 0.00 3.31 0.00 0.00 3.57 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 21 K 8.52 4.86 0.00 1.67 1.76 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 22 L 8.96 4.95 0.00 1.67 1.26 0.28 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.46 5.58 0.00 1.72 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 2.13 2.14 0.00 24 Y 8.87 4.58 0.00 3.39 3.09 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 25 G 10.30 3.99 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 0.00 0.00 0.00 26 G 8.46 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 0.00 0.00 0.00 27 Q 7.97 3.98 0.00 1.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 28 T 6.84 4.89 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 1.16 0.00 0.00 29 W 9.12 5.20 0.00 3.40 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 30 H 8.81 4.72 0.00 3.00 3.04 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.50 4.17 0.00 2.19 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 0.00 2.39 2.32 0.00 32 H 8.05 4.89 0.00 3.29 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.38 4.23 0.00 3.26 3.18 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 0.00 0.00 0.00 0.00 34 F 8.16 4.00 0.00 3.12 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 35 L 7.47 4.71 0.00 1.30 1.46 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.24 4.22 0.00 2.85 2.73 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 0.00 0.00 0.00 0.00 37 S 8.49 4.54 0.00 3.24 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 38 G 8.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.03 4.57 0.00 3.06 3.04 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 40 E 7.86 4.12 0.00 2.11 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 0.00 2.15 2.23 0.00 41 Q 7.61 4.47 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 42 P 0.00 4.84 0.00 2.22 2.23 0.00 3.67 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 2.07 1.98 0.00 43 L 8.22 4.26 0.00 1.25 1.61 0.26 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.72 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 45 S 7.93 4.51 0.00 3.77 3.85 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 46 R 7.77 4.55 0.00 2.01 1.95 0.00 3.09 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 47 S 8.44 4.51 0.00 3.93 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 48 F 7.55 4.77 0.00 3.02 2.94 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 49 V 9.07 3.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.61 0.00 0.00 50 P 0.00 4.57 0.00 2.23 2.20 0.00 3.45 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 51 D 9.14 4.98 0.00 3.16 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 52 K 9.05 4.06 0.00 1.89 1.90 0.00 2.00 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 53 G 8.78 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 0.00 0.00 0.00 54 A 8.00 4.18 1.03 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 0.00 0.00 55 H 7.96 4.86 0.00 2.44 2.43 0.00 5.76 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.27 5.18 0.00 3.12 2.98 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 57 C 8.91 4.61 0.00 3.19 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 58 V 8.73 3.66 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 1.30 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.25 0.00 2.34 2.32 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 60 C 8.32 4.32 0.00 3.41 3.31 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 61 Y 8.31 4.36 0.00 3.38 3.25 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 0.00 62 E 8.37 3.98 0.00 2.05 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 2.40 2.65 0.00 63 N 8.62 4.48 0.00 2.79 2.84 0.00 0.00 6.75 5.94 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 64 K 7.35 3.83 0.00 1.62 1.69 0.00 0.88 0.00 0.00 1.89 0.00 0.00 2.51 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.68 1.05 7.81 65 F 8.00 4.22 0.00 2.74 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 66 A 7.26 4.65 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 67 S 8.51 4.35 0.00 3.97 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 68 G 7.94 4.07 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 0.00 69 P 0.00 4.42 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 70 S 7.30 3.95 0.00 3.92 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 71 S 9.03 4.16 0.00 3.81 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 72 G 7.88 3.72 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 0.00 0.00 0.00