NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 60 A 4.3446 8.2644 123.5908 51.7715 20.5874 177.2472 61 F 4.3050 7.8274 115.4671 55.4705 42.0971 171.6779 62 N 4.4630 8.2499 127.0488 52.3180 40.2651 174.5073 63 Q 3.8416 8.2981 130.0206 59.2663 29.3129 177.9384 64 T 3.8632 7.8310 116.3515 66.7924 68.6402 176.3078 65 E 3.9535 8.8861 120.8528 59.1276 29.3260 179.1451 66 F 3.9993 8.0582 120.7279 61.5299 39.4417 176.9603 67 N 4.3725 8.5240 116.0551 56.1138 38.1901 177.5359 68 K 3.8858 8.0662 119.8776 59.3974 32.1371 179.1012 69 L 3.8248 7.7877 120.3638 57.9161 42.0203 178.4514 70 L 3.7035 7.7585 120.5949 58.2243 41.9641 178.8560 71 L 3.8988 8.1763 120.4276 57.9427 42.0021 178.3050 72 E 3.8914 8.3805 119.6166 59.4908 29.4967 178.5459 73 C 4.0679 8.2609 116.8445 63.1172 28.2212 176.6870 74 V 3.6398 7.6763 113.8290 64.2358 31.1015 178.9514 75 V 3.5393 7.8373 118.0518 65.8234 31.3491 177.9043 76 K 3.8970 8.1401 119.4323 59.8901 31.9276 178.8518 77 T 3.8377 8.2889 116.3026 66.6422 68.3506 176.4359 78 Q 3.9545 8.2206 121.5596 59.2768 28.9532 178.3708 79 S 4.0968 8.1513 114.1202 61.5036 62.4764 176.2745 80 S 4.1410 8.3353 118.1556 61.6266 62.5560 176.9093 81 V 3.6368 8.3096 121.1953 65.6493 31.1654 177.8692 82 A 4.0999 8.2434 120.7957 55.2474 18.2299 179.7868 83 K 3.9227 7.9121 116.7114 59.5967 32.0218 179.6914 84 I 3.7005 7.8931 120.0757 64.2576 36.9651 178.1049 85 L 4.1042 8.5510 121.7252 58.1025 41.6691 179.0199 86 G 3.5222 8.2035 104.5502 48.0614 0.0000 175.2447 87 I 3.8470 7.8470 122.8204 63.9663 37.1396 178.4339 88 E 4.0102 8.5482 119.9495 59.4035 29.0833 179.5634 89 S 4.2777 8.3235 113.2386 60.6784 63.1399 175.5269 90 L 4.3777 7.3627 120.1715 53.8502 42.2547 176.7768 91 S 4.1939 7.6027 115.8270 57.5759 63.1319 172.9467 92 P 4.7953 0.0000 0.0000 65.3075 31.2141 177.9794 93 H 4.3849 8.3009 111.5538 57.4724 28.6647 176.0179 94 V 4.3392 7.6828 112.7807 60.7201 32.6362 175.4641 95 S 4.2992 7.8057 117.9200 60.3884 62.9741 175.8853 96 G 3.9093 8.9495 112.6491 45.5271 0.0000 173.1555 97 N 4.6399 7.9661 119.3303 52.0223 37.9143 175.4576 98 S 4.1632 8.4158 121.1593 60.2161 63.4388 176.6981 99 K 3.6942 8.1277 121.6816 58.6665 31.8588 176.9683 100 F 5.0112 7.9676 115.3621 56.9916 39.4829 175.5376 101 E 4.2270 7.9591 123.0385 55.7862 30.9224 176.3470 102 Y 4.0613 8.8740 127.1669 61.1303 38.9233 178.3142 103 A 3.9548 8.2411 120.8387 55.4179 18.4775 179.1750 104 N 4.2736 8.0766 114.2882 56.7705 38.5969 177.4628 105 M 4.0383 8.0107 120.1456 58.2641 31.9868 178.9868 106 V 3.3892 7.7412 118.6845 65.6044 31.5682 177.7139 107 E 3.8582 8.1166 119.1382 59.3603 29.5379 178.4564 108 D 4.3257 7.9017 118.7010 57.4974 40.8528 178.9352 109 I 3.6889 7.9382 120.3525 64.5772 37.0807 178.7661 110 R 3.9058 8.1643 118.9627 59.0444 29.7883 178.7080 111 E 3.9088 8.1726 119.2367 59.1870 29.6961 178.8424 112 K 3.9449 8.0722 119.6410 59.3781 32.2458 178.9182 113 V 3.5884 8.0128 118.5961 66.1449 31.4212 177.8081 114 S 4.1738 8.4009 115.6303 62.0593 62.5393 177.2239 115 S 4.1782 7.7171 114.6358 61.3330 63.0719 175.9737 116 E 4.2320 8.1829 121.8453 59.2781 29.2582 179.1066 117 M 4.3313 8.6567 119.3253 58.5362 31.9944 178.4012 118 E 4.2319 8.6403 119.6625 59.0801 29.4282 178.9307 119 R 3.7037 7.4726 117.8339 58.7692 30.2475 177.0300 120 F 4.3298 7.9848 114.2956 57.7302 40.7470 176.0181 121 F 4.9744 8.3188 118.5187 54.5161 39.4926 172.8706 122 P 5.0500 0.0000 0.0000 62.4292 31.0743 176.5667 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 60 A 8.26 4.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.83 4.30 0.00 2.99 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 62 N 8.25 4.46 0.00 2.66 2.51 0.00 0.00 6.83 6.87 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 63 Q 8.30 3.84 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 64 T 7.83 3.86 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 1.21 0.00 0.00 65 E 8.89 3.95 0.00 1.97 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 2.43 2.41 0.00 66 F 8.06 4.00 0.00 2.88 3.17 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 67 N 8.52 4.37 0.00 2.97 2.90 0.00 0.00 7.11 7.19 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 68 K 8.07 3.89 0.00 1.97 1.82 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 69 L 7.79 3.82 0.00 1.67 1.61 0.86 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.76 3.70 0.00 1.44 1.67 0.78 0.72 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 71 L 8.18 3.90 0.00 1.83 1.61 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.38 3.89 0.00 2.11 2.02 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 2.28 2.33 0.00 73 C 8.26 4.07 0.00 3.07 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 74 V 7.68 3.64 2.07 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 0.71 0.00 0.00 1.01 0.00 0.00 75 V 7.84 3.54 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 0.98 0.00 0.00 0.93 0.00 0.00 76 K 8.14 3.90 0.00 2.10 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 77 T 8.29 3.84 4.43 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 1.21 0.00 0.00 78 Q 8.22 3.95 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 79 S 8.15 4.10 0.00 4.03 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 80 S 8.34 4.14 0.00 4.01 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 81 V 8.31 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 82 A 8.24 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.91 3.92 0.00 1.92 1.87 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 84 I 7.89 3.70 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.92 0.00 0.00 85 L 8.55 4.10 0.00 1.88 2.03 0.99 0.99 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 86 G 8.20 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.85 3.85 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 0.90 0.00 0.00 88 E 8.55 4.01 0.00 2.22 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 2.47 2.46 0.00 89 S 8.32 4.28 0.00 4.35 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 0.00 90 L 7.36 4.38 0.00 1.82 1.73 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.60 4.19 0.00 3.90 3.67 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 0.00 0.00 0.00 0.00 92 P 0.00 4.80 0.00 2.23 2.11 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 93 H 8.30 4.38 0.00 3.25 3.40 0.00 5.47 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 94 V 7.68 4.34 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 0.29 0.00 0.00 0.83 0.00 0.00 95 S 7.81 4.30 0.00 3.97 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 96 G 8.95 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 0.00 0.00 0.00 97 N 7.97 4.64 0.00 2.85 3.05 0.00 0.00 6.81 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 98 S 8.42 4.16 0.00 4.03 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 99 K 8.13 3.69 0.00 1.44 1.37 0.00 1.40 0.00 0.00 0.94 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.57 1.12 7.81 100 F 7.97 5.01 0.00 3.20 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 0.00 101 E 7.96 4.23 0.00 2.11 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 2.39 2.37 0.00 102 Y 8.87 4.06 0.00 3.13 3.01 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 0.00 0.00 0.00 103 A 8.24 3.95 1.37 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 0.00 0.00 104 N 8.08 4.27 0.00 2.90 2.83 0.00 0.00 7.15 7.66 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 0.00 105 M 8.01 4.04 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.63 0.00 106 V 7.74 3.39 1.83 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 0.98 0.00 0.00 0.26 0.00 0.00 107 E 8.12 3.86 0.00 2.22 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 2.28 2.33 0.00 108 D 7.90 4.33 0.00 2.89 2.68 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 0.00 109 I 7.94 3.69 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.89 0.00 0.00 110 R 8.16 3.91 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 111 E 8.17 3.91 0.00 2.19 2.10 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 0.00 2.31 2.32 0.00 112 K 8.07 3.94 0.00 1.93 1.97 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.51 7.81 113 V 8.01 3.59 2.22 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 0.99 0.00 0.00 1.01 0.00 0.00 114 S 8.40 4.17 0.00 4.05 3.94 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 0.00 115 S 7.72 4.18 0.00 4.02 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 0.00 116 E 8.18 4.23 0.00 2.23 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 0.00 2.57 2.55 0.00 117 M 8.66 4.33 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.02 0.00 118 E 8.64 4.23 0.00 2.09 2.10 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 0.00 2.31 2.36 0.00 119 R 7.47 3.70 0.00 2.07 2.06 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.35 0.00 120 F 7.98 4.33 0.00 2.60 2.11 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 0.00 121 F 8.32 4.97 0.00 3.00 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 0.00 122 P 0.00 5.05 0.00 2.06 2.03 0.00 3.79 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00