NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3885 8.1627 120.6049 55.4307 34.4133 173.6744 2 Q 5.0943 8.6244 125.0006 51.7916 31.3552 172.7313 3 I 4.6223 8.8138 120.7991 59.0794 41.8917 173.6225 4 F 5.2049 8.5434 120.0563 56.0131 42.8718 175.3564 5 V 4.9828 8.6805 120.1657 61.5811 32.5322 173.5094 6 K 4.5244 9.1437 128.5245 55.9703 33.6870 175.8250 7 T 5.2029 7.9938 116.8145 59.3348 71.1341 174.4919 8 L 4.1638 8.5467 120.4000 58.2672 41.9189 178.7417 9 T 3.9410 8.1162 113.7024 66.2645 68.5587 173.6577 10 G 3.4471 7.7765 113.7095 45.3297 0.0000 174.0007 11 K 3.7026 7.9583 122.3511 57.5264 32.6315 176.2502 12 T 4.7644 8.1240 124.0523 61.4832 68.0881 173.6588 13 I 3.7816 7.5386 123.6967 61.7191 39.8337 174.7076 14 T 4.6597 8.5165 123.0304 60.5184 69.1890 173.1982 15 L 4.5729 8.7154 129.2977 53.3310 45.0365 175.6363 16 E 4.7231 8.5245 118.6453 54.8879 31.3237 175.7085 17 V 4.5715 8.4678 116.6608 59.4039 36.5376 174.8646 18 E 4.4080 8.7229 120.9244 54.9388 30.3083 175.9383 19 P 4.1061 0.0000 0.0000 64.1180 32.4769 176.9815 20 S 4.8504 7.5764 114.2253 57.5275 61.3573 173.9160 21 D 4.9992 8.2731 120.8845 52.6660 43.7104 176.7147 22 T 4.4944 8.3621 115.3775 61.2603 70.0247 175.7771 23 I 3.6845 8.5194 125.1905 64.1099 36.8248 178.4612 24 E 3.9544 8.1920 119.5559 59.6386 29.2872 178.8880 25 N 4.2854 7.9530 114.8038 56.3314 38.7116 177.5142 26 V 3.5438 7.9144 120.0914 66.1677 31.4213 178.1089 27 K 3.9894 8.1261 117.4250 59.6209 31.9407 179.3216 28 A 3.4387 7.7912 120.4899 54.6938 17.7020 179.5574 29 K 3.8940 8.6725 119.2198 59.5692 32.2554 179.1360 30 I 3.5859 7.7027 120.2963 64.2394 36.9763 178.0250 31 Q 4.1139 8.8659 121.6852 59.2321 28.6357 177.6430 32 D 4.3967 8.1426 117.5280 55.6758 41.3121 177.1624 33 K 4.3464 7.2130 116.9451 58.4713 33.4820 177.6331 34 E 4.4638 8.6624 115.7242 55.4732 30.0530 177.2312 35 G 3.8270 8.0058 106.8732 45.8151 0.0000 173.4429 36 I 4.0787 7.5595 120.5004 59.1476 37.3207 174.0690 37 P 4.2817 0.0000 0.0000 62.4305 31.8693 174.9400 38 P 4.4029 0.0000 0.0000 65.7117 31.4460 178.7792 39 D 4.7955 7.9198 115.0762 53.2356 38.1803 176.8256 40 Q 4.5850 8.8661 118.9631 57.2876 30.9095 173.1697 41 Q 4.7724 8.2067 114.9222 53.8880 32.6296 175.8169 42 R 4.4366 8.3420 119.2971 55.6086 34.4702 174.1730 43 L 5.0543 8.5470 124.5983 53.3273 44.2881 176.0911 44 I 5.2929 8.5717 122.8151 58.6786 40.8904 173.9216 45 F 5.1363 8.6417 129.5822 56.2889 41.9289 174.9790 46 A 3.2719 8.9058 129.3589 53.5145 15.2689 177.1536 47 G 4.0476 8.3114 103.6770 46.3934 0.0000 173.5102 48 K 4.6390 7.5083 115.7344 54.6596 35.6890 175.3179 49 Q 5.1578 8.4255 121.6781 55.2381 30.4633 175.4034 50 L 4.0613 8.1124 123.6338 52.1929 42.5213 175.8221 51 E 4.0493 8.9564 125.2747 56.6250 30.2265 177.1485 52 D 4.4666 8.9497 121.9459 57.6211 41.1122 179.6922 53 G 3.8654 8.1697 101.8567 46.2901 0.0000 172.3312 54 R 4.8465 8.4261 119.6706 54.2639 34.0746 173.5881 55 T 5.5028 8.3853 108.2376 60.3011 70.5061 173.5125 56 L 4.5486 7.9205 116.3639 56.8920 42.6450 178.4848 57 S 4.3545 7.6824 110.0836 59.8810 63.1291 174.6169 58 D 4.5204 8.0391 120.0204 55.6163 41.0910 176.3373 59 Y 4.5534 7.7344 113.6910 56.6525 39.5713 174.5872 60 N 4.1195 8.3075 118.6123 53.5641 35.5588 172.2721 61 I 4.0406 7.5636 118.3421 58.7946 37.6131 175.5762 62 Q 4.1597 8.4354 124.7140 55.2879 29.1514 176.8713 63 K 4.0882 8.2912 118.2178 57.9350 33.2391 176.6218 64 E 4.4565 8.5290 120.5455 57.8709 26.7146 174.1393 65 S 4.7717 7.8271 113.7440 57.7262 64.9717 173.9787 66 T 4.8559 8.4578 120.5427 62.9692 69.6551 174.1138 67 L 4.8865 8.6488 124.5259 53.2760 45.9343 174.9707 68 H 5.4254 8.5877 119.0145 54.3537 30.5260 173.5916 69 L 5.1113 8.8357 125.9494 53.3902 43.6166 175.2352 70 V 4.5545 8.7670 125.7593 61.0570 35.2691 173.7730 71 L 4.9548 8.3944 125.1325 53.3067 43.4141 176.7913 72 R 4.2920 8.1639 122.8624 54.7476 29.8760 176.8495 73 L 4.1501 8.2363 122.8523 54.8704 41.6884 177.4786 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 4.39 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 Q 8.62 5.09 0.00 2.24 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 3 I 8.81 4.62 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.81 0.00 0.00 4 F 8.54 5.20 0.00 2.99 2.96 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 5 V 8.68 4.98 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 0.76 0.00 0.00 0.92 0.00 0.00 6 K 9.14 4.52 0.00 1.87 1.70 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 T 7.99 5.20 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 1.28 0.00 0.00 8 L 8.55 4.16 0.00 1.66 1.76 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.12 3.94 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 1.21 0.00 0.00 10 G 7.78 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 3.70 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.46 7.81 12 T 8.12 4.76 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 13 I 7.54 3.78 1.88 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 1.23 1.57 1.00 0.00 0.00 14 T 8.52 4.66 4.34 0.00 0.00 0.00 0.00 0.00 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 15 L 8.72 4.57 0.00 1.49 1.48 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.52 4.72 0.00 1.74 1.82 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 2.12 2.19 0.00 17 V 8.47 4.57 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 0.63 0.00 0.00 0.86 0.00 0.00 18 E 8.72 4.41 0.00 1.87 1.85 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 2.25 2.41 0.00 19 P 0.00 4.11 0.00 2.06 2.12 0.00 3.54 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 2.11 2.15 0.00 20 S 7.58 4.85 0.00 3.73 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 21 D 8.27 5.00 0.00 2.95 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.49 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 1.23 0.00 0.00 23 I 8.52 3.68 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.25 0.90 0.00 0.00 24 E 8.19 3.95 0.00 1.98 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 2.60 2.37 0.00 25 N 7.95 4.29 0.00 3.04 2.85 0.00 0.00 6.72 7.56 0.00 0.00 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 V 7.91 3.54 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 0.98 0.00 0.00 1.00 0.00 0.00 27 K 8.13 3.99 0.00 2.09 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 28 A 7.79 3.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.67 3.89 0.00 1.94 2.02 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 30 I 7.70 3.59 2.13 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 1.39 0.75 0.90 0.00 0.00 31 Q 8.87 4.11 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 32 D 8.14 4.40 0.00 2.85 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 33 K 7.21 4.35 0.00 1.75 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 34 E 8.66 4.46 0.00 1.87 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 0.00 2.27 2.45 0.00 35 G 8.01 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 0.00 0.00 0.00 36 I 7.56 4.08 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 0.75 0.94 0.00 0.00 37 P 0.00 4.28 0.00 2.10 2.02 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 38 P 0.00 4.40 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 D 7.92 4.80 0.00 2.78 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 40 Q 8.87 4.58 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 41 Q 8.21 4.77 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 42 R 8.34 4.44 0.00 1.96 1.80 0.00 3.11 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 43 L 8.55 5.05 0.00 1.51 1.51 0.86 0.71 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 44 I 8.57 5.29 1.97 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 1.34 2.21 1.00 0.00 0.00 45 F 8.64 5.14 0.00 3.00 2.91 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 46 A 8.91 3.27 0.78 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 0.00 0.00 0.00 0.00 0.00 47 G 8.31 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 48 K 7.51 4.64 0.00 2.03 1.89 0.00 1.36 0.00 0.00 1.57 0.00 0.00 3.23 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.69 7.81 49 Q 8.43 5.16 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.11 4.06 0.00 1.21 0.59 0.71 0.41 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 51 E 8.96 4.05 0.00 2.10 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 0.00 2.47 2.37 0.00 52 D 8.95 4.47 0.00 2.77 2.83 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 53 G 8.17 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 0.00 0.00 0.00 54 R 8.43 4.85 0.00 2.21 1.99 0.00 2.84 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 55 T 8.39 5.50 4.40 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 1.24 0.00 0.00 56 L 7.92 4.55 0.00 2.08 1.75 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.68 4.35 0.00 4.04 4.01 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 58 D 8.04 4.52 0.00 2.83 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.73 4.55 0.00 3.00 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 60 N 8.31 4.12 0.00 3.03 2.95 0.00 0.00 6.79 8.31 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 61 I 7.56 4.04 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.63 0.57 0.00 0.00 62 Q 8.44 4.16 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 63 K 8.29 4.09 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 E 8.53 4.46 0.00 2.27 2.46 0.00 0.00 0.00 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 2.29 0.00 65 S 7.83 4.77 0.00 3.49 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 4.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 67 L 8.65 4.89 0.00 1.53 1.49 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.59 5.43 0.00 3.18 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 5.11 0.00 1.76 1.53 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.55 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.39 4.95 0.00 1.54 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.16 4.29 0.00 1.74 1.91 0.00 3.17 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 L 8.24 4.15 0.00 1.61 1.58 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00