NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0014 8.0544 120.3914 62.3300 33.9154 175.0915 10 N 4.1092 7.7878 114.4766 53.4596 39.7069 171.3884 11 V 3.6539 9.2476 120.5383 63.8505 33.0769 176.5920 12 Q 4.6048 7.6871 115.9246 56.1460 31.0698 175.5118 13 R 4.5910 8.6346 119.3174 52.6263 31.2479 173.8180 14 P 4.2932 0.0000 0.0000 65.3173 31.6188 177.6407 15 L 4.0728 7.9379 116.8773 57.1968 41.4060 178.8965 16 D 4.4106 8.2337 119.4038 57.0081 40.4594 178.1408 17 A 4.0182 7.5456 120.0798 55.3685 18.5962 179.2224 18 L 3.9048 7.7233 116.7521 57.7911 41.5736 179.7986 19 G 3.8938 7.9083 105.4019 48.0694 0.0000 175.0465 20 N 4.6456 8.7583 116.8823 54.3536 38.7532 176.2709 21 S 4.6386 8.1220 116.6546 56.8591 63.9525 173.7482 22 L 4.1151 7.4283 122.3502 56.6658 41.8342 176.5993 23 N 4.3316 9.3057 118.7640 54.2485 36.9743 173.8785 24 S 4.9309 7.7129 111.0096 55.4530 66.5846 171.2525 25 P 5.0246 0.0000 0.0000 63.1807 32.4628 175.5084 26 V 4.9945 9.0347 115.1035 59.8205 36.9027 174.1650 27 I 4.9443 9.2453 122.8845 59.7034 40.2975 174.7070 28 I 4.7584 8.9464 128.1999 59.3536 39.8499 174.4209 29 K 4.4180 8.4128 129.2945 54.7633 33.4004 175.7903 30 L 4.8252 8.7947 128.3969 53.0880 44.0114 176.5825 31 K 3.9884 8.2831 120.5759 58.0233 32.2866 178.0379 32 G 3.8363 8.7162 110.5971 45.0047 0.0000 173.4862 33 D 4.5934 7.6551 116.4934 54.9883 39.2276 173.9363 34 R 4.3240 7.3716 118.6333 56.0678 31.4837 175.2211 35 E 5.3066 8.7988 122.9660 54.5683 33.0080 174.4243 36 F 5.5137 9.3980 124.2204 55.9979 43.7757 173.9670 37 R 5.2900 7.8518 115.8400 55.3647 33.1603 174.4991 38 G 4.0619 8.1449 106.8284 46.4370 0.0000 171.2303 39 V 4.6522 8.0373 120.5027 61.3554 32.9914 175.3585 40 L 4.3634 8.7794 130.8636 55.4455 42.4678 177.2493 41 K 4.8478 8.5344 124.4607 57.1594 35.0574 176.0005 42 S 4.7934 7.9096 112.1501 58.2716 65.7284 174.7524 43 F 5.8437 8.1061 114.6641 57.7258 40.5899 171.6934 44 D 4.8072 8.4667 117.6312 51.1412 42.3562 175.9779 45 L 4.1719 8.4729 118.3022 58.5594 40.3705 177.6617 46 H 4.3520 8.3413 115.6344 56.4320 29.1639 175.8010 47 M 3.3700 8.5506 118.5265 55.8480 31.1925 175.9105 48 N 4.8803 8.6053 114.4527 52.9811 39.9063 174.2102 49 L 5.4241 9.3844 121.5375 53.0246 46.7986 175.5157 50 V 4.8482 8.5700 120.2662 61.2536 34.4549 174.3915 51 L 5.3963 9.1530 127.2632 53.0934 45.6236 175.1778 52 N 5.1352 9.0178 118.8685 51.8537 41.7812 174.4149 53 D 4.4740 8.7175 118.4542 55.2758 38.8705 174.1786 54 A 4.5156 8.1482 120.4641 52.2471 20.1279 177.7734 55 E 4.9655 9.4145 120.9175 54.6029 34.1182 174.1673 56 E 4.0262 9.1223 126.3219 55.0264 30.9660 175.4478 57 L 4.9622 8.3688 127.1768 53.3913 45.0133 176.0932 58 E 4.2789 9.2294 118.0305 56.9471 31.1801 174.6429 59 D 4.4303 9.1338 128.5141 55.6692 37.4853 175.7006 60 G 3.8915 8.3493 104.9575 45.8564 0.0000 173.6508 61 E 4.5322 7.4469 120.5415 54.0145 31.0075 175.7503 62 V 3.8915 8.3549 124.4466 63.1804 32.3125 175.0035 63 T 4.5145 8.8210 116.8579 62.5244 71.1320 174.8703 64 R 4.6003 7.5636 119.6861 54.0973 34.5663 174.5445 65 R 4.8170 8.6695 122.6912 55.2772 30.6105 176.1230 66 L 4.3225 9.1972 124.5164 53.1003 42.7161 179.4748 67 G 3.7296 8.1346 107.8020 46.9256 0.0000 173.9592 68 T 4.9955 8.5110 121.9142 62.9507 69.2633 174.4465 69 V 4.5713 8.8893 125.2603 59.9862 35.4538 173.5831 70 L 5.1138 8.5437 124.5320 53.7535 43.7799 175.1997 71 I 4.4382 8.7472 127.3828 59.2843 40.0560 175.4541 72 R 5.0347 7.9506 125.8303 55.2199 30.9166 177.9406 73 G 3.8428 8.9904 111.2291 47.8154 0.0000 174.7328 74 D 4.3613 8.1816 118.4211 56.7890 41.3338 176.6053 75 N 4.7114 7.8920 114.2306 53.2618 39.5893 174.9748 76 I 4.0349 7.4110 120.1335 61.4181 37.7707 175.6036 77 V 4.2102 8.6279 125.9386 64.7047 32.3410 175.2730 78 Y 4.9284 6.9378 115.5567 56.2482 40.9882 172.9748 79 I 5.2939 8.5276 120.6509 59.7323 40.6510 174.9802 80 S 4.8151 9.0005 119.9640 56.3037 66.8050 173.4484 81 R 4.4642 8.6488 121.3297 56.4262 30.6730 176.1875 82 G 3.9072 8.7042 112.2488 46.3308 0.0000 174.0991 83 K 4.3492 8.5307 118.4962 56.6541 31.6643 176.6153 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 9 V 8.05 4.00 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 0.95 0.00 0.00 0.94 0.00 0.00 10 N 7.79 4.11 0.00 2.88 2.80 0.00 0.00 7.39 6.83 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 11 V 9.25 3.65 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 7.69 4.60 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 13 R 8.63 4.59 0.00 2.01 1.79 0.00 3.15 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 14 P 0.00 4.29 0.00 2.15 2.10 0.00 3.61 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 2.11 2.18 0.00 15 L 7.94 4.07 0.00 1.76 1.88 1.03 1.13 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 16 D 8.23 4.41 0.00 2.76 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 17 A 7.55 4.02 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 18 L 7.72 3.90 0.00 1.29 0.27 0.28 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.91 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 0.00 0.00 0.00 20 N 8.76 4.65 0.00 2.81 2.89 0.00 0.00 6.98 6.14 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 21 S 8.12 4.64 0.00 3.90 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 22 L 7.43 4.12 0.00 1.78 1.70 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.31 4.33 0.00 2.83 2.91 0.00 0.00 6.68 7.60 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 24 S 7.71 4.93 0.00 3.84 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 25 P 0.00 5.02 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 26 V 9.03 4.99 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 0.90 0.00 0.00 1.00 0.00 0.00 27 I 9.25 4.94 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.96 0.00 0.00 28 I 8.95 4.76 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.03 0.78 0.00 0.00 29 K 8.41 4.42 0.00 0.85 0.74 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 1.14 7.81 30 L 8.79 4.83 0.00 1.84 1.52 0.69 0.11 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 31 K 8.28 3.99 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.64 7.81 32 G 8.72 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 0.00 0.00 0.00 33 D 7.66 4.59 0.00 2.79 2.77 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 34 R 7.37 4.32 0.00 1.99 2.04 0.00 3.28 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 35 E 8.80 5.31 0.00 2.02 1.74 0.00 0.00 0.00 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 2.45 0.00 36 F 9.40 5.51 0.00 2.87 2.90 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 37 R 7.85 5.29 0.00 1.95 2.00 0.00 3.12 0.00 0.00 3.27 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 38 G 8.14 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 39 V 8.04 4.65 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 1.04 0.00 0.00 0.95 0.00 0.00 40 L 8.78 4.36 0.00 1.85 1.55 1.10 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.53 4.85 0.00 1.68 1.82 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.67 7.81 42 S 7.91 4.79 0.00 3.75 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 43 F 8.11 5.84 0.00 3.13 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 44 D 8.47 4.81 0.00 2.82 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 45 L 8.47 4.17 0.00 1.73 1.85 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.34 4.35 0.00 3.47 3.41 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.55 3.37 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 48 N 8.61 4.88 0.00 3.01 2.74 0.00 0.00 6.79 6.27 0.00 0.00 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 L 9.38 5.42 0.00 1.49 1.53 0.89 0.78 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 50 V 8.57 4.85 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 1.00 0.00 0.00 0.95 0.00 0.00 51 L 9.15 5.40 0.00 1.62 1.54 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.02 5.14 0.00 2.71 2.71 0.00 0.00 7.19 8.93 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 53 D 8.72 4.47 0.00 2.81 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 54 A 8.15 4.52 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.41 4.97 0.00 1.80 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 0.00 2.19 2.37 0.00 56 E 9.12 4.03 0.00 1.16 1.43 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 1.91 1.58 0.00 57 L 8.37 4.96 0.00 1.43 1.53 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.23 4.28 0.00 1.89 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 0.00 2.16 2.22 0.00 59 D 9.13 4.43 0.00 2.86 2.80 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 0.00 0.00 0.00 60 G 8.35 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 0.00 0.00 0.00 61 E 7.45 4.53 0.00 2.13 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 2.23 2.24 0.00 62 V 8.35 3.89 2.05 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 0.77 0.00 0.00 0.95 0.00 0.00 63 T 8.82 4.51 4.19 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 1.22 0.00 0.00 64 R 7.56 4.60 0.00 1.60 1.74 0.00 3.08 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 65 R 8.67 4.82 0.00 1.67 1.87 0.00 3.18 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 66 L 9.20 4.32 0.00 1.52 1.75 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.13 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 0.00 0.00 0.00 68 T 8.51 5.00 4.26 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 0.00 0.00 0.00 1.27 0.00 0.00 69 V 8.89 4.57 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 0.94 0.00 0.00 0.97 0.00 0.00 70 L 8.54 5.11 0.00 1.64 1.59 0.97 0.98 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 71 I 8.75 4.44 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 0.63 0.00 0.00 72 R 7.95 5.03 0.00 1.83 1.82 0.00 3.39 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 73 G 8.99 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 0.00 0.00 0.00 74 D 8.18 4.36 0.00 2.63 2.71 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 75 N 7.89 4.71 0.00 2.71 2.75 0.00 0.00 6.88 7.15 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 76 I 7.41 4.03 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.85 0.00 0.00 77 V 8.63 4.21 1.99 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 0.92 0.00 0.00 0.91 0.00 0.00 78 Y 6.94 4.93 0.00 3.03 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 79 I 8.53 5.29 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.96 0.00 0.00 80 S 9.00 4.82 0.00 3.88 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 81 R 8.65 4.46 0.00 1.85 1.87 0.00 3.22 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 82 G 8.70 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 83 K 8.53 4.35 0.00 1.96 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.42 7.81