NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3841 8.1633 118.1991 55.7701 31.2890 174.8196 2 S 3.6980 8.7141 120.7170 58.7125 60.4023 170.6127 3 A 4.8922 7.7925 122.6012 50.3755 21.2308 175.1725 4 V 4.4010 8.2285 119.8810 61.1543 34.6722 173.8738 5 Q 2.8246 8.0977 129.6225 56.2600 28.3983 175.5428 6 V 4.2314 7.7890 123.2121 61.3064 35.7734 174.6289 7 L 4.7717 7.4410 121.6886 52.9360 44.9354 175.4443 8 K 4.3520 7.9337 121.6301 55.3779 35.6314 175.7543 9 F 4.6780 8.0649 118.6957 54.3948 38.3148 171.6506 10 P 4.2233 0.0000 0.0000 62.2997 29.5919 176.7749 11 L 4.1628 8.4481 123.8536 57.3537 40.7143 177.9712 12 S 4.5777 7.9528 112.6872 58.2614 62.6441 172.7910 13 V 4.5104 7.5700 111.4832 59.8384 35.9426 175.5646 14 D 4.7294 8.3873 118.1247 53.7747 37.5680 176.9637 15 L 4.2368 7.7760 122.0292 58.1031 41.0520 178.5161 16 A 4.0498 8.3046 122.0031 55.2586 17.8421 179.6754 17 G 3.5744 7.8544 103.5595 47.4382 0.0000 175.1291 18 F 5.0784 8.0393 122.2898 60.4059 40.1927 178.0226 19 V 4.0190 8.7044 119.4543 64.8808 30.9625 178.5810 20 G 3.9598 8.1176 107.2680 46.7972 0.0000 175.0820 21 L 4.0699 7.8014 122.2003 57.9991 42.4615 178.6364 22 L 4.4258 8.0331 118.2455 57.7607 40.8553 178.4735 23 R 4.0013 7.9421 118.8038 59.1510 30.0001 178.1648 24 R 4.1569 8.0728 117.3782 58.3988 30.1970 178.1774 25 L 4.1267 7.8897 120.2465 56.4525 42.2795 176.9575 26 N 4.6833 8.5958 122.4186 53.0120 38.2175 174.8185 27 V 3.2567 7.4450 117.4021 62.5436 29.8779 171.6723 28 P 4.8004 0.0000 0.0000 63.3154 32.1156 174.9739 29 H 5.1069 7.7023 113.4971 54.4264 31.9844 172.4682 30 R 4.4463 8.4940 119.0302 55.1932 31.4049 174.8636 31 V 5.2595 8.4512 126.3785 61.6310 33.2083 175.0573 32 S 4.6560 9.7083 123.9755 57.2165 67.6657 173.3573 33 E 4.7784 9.0927 124.6762 55.9514 29.6032 175.9564 34 E 4.5178 9.2935 126.2192 55.4940 30.6421 177.6506 35 S 4.0414 9.0596 124.8575 58.1836 61.8472 172.2756 36 G 5.0285 7.6747 116.7705 45.7376 0.0000 172.0965 37 Q 4.7694 7.1094 118.6608 53.6459 33.2487 174.7192 38 Q 4.5959 8.8662 121.6646 56.2030 30.2350 175.3206 39 V 4.5468 9.1570 122.8434 60.8703 35.5904 173.6903 40 L 5.9700 8.5709 128.5904 52.4049 44.7597 175.0176 41 W 4.9193 9.0899 124.9929 53.9188 31.8650 175.6367 42 V 4.9957 8.5653 114.9525 59.1257 34.1154 174.9864 43 P 4.8040 0.0000 0.0000 62.6578 30.1559 174.2455 44 D 4.6070 7.8310 112.1342 53.6029 44.7731 174.3122 45 E 4.7432 7.7475 123.8836 55.7843 36.1038 178.0068 46 R 4.1391 7.6216 115.6125 58.6991 29.8488 178.1147 47 L 3.9400 7.9136 120.3623 57.4970 41.9416 178.2674 48 A 3.8697 8.0348 120.6399 55.5419 18.1304 179.3935 49 E 3.8479 7.6761 115.7315 59.5277 29.4633 179.3450 50 Q 3.9214 7.9217 119.3411 58.7639 28.9301 178.5402 51 V 2.5102 7.6542 120.9067 64.3733 31.5620 178.5670 52 R 4.0160 7.4921 117.7773 58.1609 29.5442 178.2569 53 E 4.1426 8.0822 118.0100 57.9867 29.7710 178.0563 54 L 4.5630 7.5963 118.1006 56.2177 42.4977 178.3461 55 Y 4.0665 7.9287 117.1143 60.7300 37.5724 177.8860 56 R 4.2557 7.9952 115.3576 57.9232 30.0241 176.8366 57 R 4.7225 7.9065 112.5344 56.7075 33.7740 174.2435 58 Y 4.5049 8.5571 115.5275 57.8313 40.8564 175.8161 59 P 4.0939 0.0000 0.0000 65.6195 32.2274 177.0781 60 E 4.3309 8.0173 117.5235 57.4964 30.3333 177.0257 61 G 4.3568 7.4706 105.4609 44.8459 0.0000 173.1383 62 D 4.6190 7.7860 120.6206 52.0291 42.1403 175.1879 63 P 4.2949 0.0000 0.0000 64.5327 31.2798 177.7364 64 Q 4.0097 7.6291 119.1025 57.9727 29.1435 176.0984 65 A 4.6373 7.0873 120.2733 53.3194 25.8557 177.0833 66 T 4.0429 8.3844 110.5783 61.8436 70.3833 173.7122 67 L 4.9199 8.6606 127.4459 56.0660 44.3386 173.4816 68 E 3.7509 9.0710 123.8241 57.1176 27.0365 174.7292 69 A 4.5564 7.4517 117.4440 51.2937 19.9597 177.0853 70 A 4.1162 8.0915 124.4325 52.8611 18.2770 177.7789 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 4.38 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 S 8.71 3.70 0.00 4.17 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 3 A 7.79 4.89 1.23 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 0.00 0.00 0.00 4 V 8.23 4.40 2.06 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 0.94 0.00 0.00 1.08 0.00 0.00 5 Q 8.10 2.82 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.31 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 6 V 7.79 4.23 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 0.63 0.00 0.00 0.81 0.00 0.00 7 L 7.44 4.77 0.00 1.52 1.30 0.72 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.93 4.35 0.00 1.79 1.49 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.39 7.81 9 F 8.06 4.68 0.00 2.84 3.06 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 10 P 0.00 4.22 0.00 2.31 2.12 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 11 L 8.45 4.16 0.00 1.78 1.88 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.95 4.58 0.00 3.87 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 13 V 7.57 4.51 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 0.72 0.00 0.00 1.09 0.00 0.00 14 D 8.39 4.73 0.00 2.81 2.60 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 0.00 0.00 0.00 0.00 15 L 7.78 4.24 0.00 2.09 2.17 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.30 4.05 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 17 G 7.85 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.08 0.00 3.05 3.08 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 0.00 0.00 0.00 19 V 8.70 4.02 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 0.67 0.00 0.00 0.32 0.00 0.00 20 G 8.12 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 0.00 0.00 0.00 21 L 7.80 4.07 0.00 2.23 2.42 0.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.03 4.43 0.00 2.05 2.10 0.74 0.79 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 23 R 7.94 4.00 0.00 2.24 2.19 0.00 3.43 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 24 R 8.07 4.16 0.00 2.11 2.10 0.00 3.39 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 25 L 7.89 4.13 0.00 1.60 1.82 0.82 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.60 4.68 0.00 2.86 2.85 0.00 0.00 6.23 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 27 V 7.44 3.26 2.24 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 0.71 0.00 0.00 0.83 0.00 0.00 28 P 0.00 4.80 0.00 2.24 2.18 0.00 3.89 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 2.05 2.11 0.00 29 H 7.70 5.11 0.00 3.26 3.45 0.00 5.51 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 30 R 8.49 4.45 0.00 1.80 1.97 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 31 V 8.45 5.26 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 0.93 0.00 0.00 1.15 0.00 0.00 32 S 9.71 4.66 0.00 3.77 3.66 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 0.00 0.00 0.00 0.00 33 E 9.09 4.78 0.00 1.91 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 2.39 2.42 0.00 34 E 9.29 4.52 0.00 2.03 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 2.82 2.75 0.00 35 S 9.06 4.04 0.00 4.05 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 36 G 7.67 5.03 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 0.00 37 Q 7.11 4.77 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 38 Q 8.87 4.60 0.00 2.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 39 V 9.16 4.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 40 L 8.57 5.97 0.00 0.42 0.78 0.69 1.13 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 41 W 9.09 4.92 0.00 3.19 3.10 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 0.00 0.00 0.00 42 V 8.57 5.00 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 0.91 0.00 0.00 1.04 0.00 0.00 43 P 0.00 4.80 0.00 2.18 1.80 0.00 3.91 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 44 D 7.83 4.61 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.75 4.74 0.00 1.88 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 2.07 2.16 0.00 46 R 7.62 4.14 0.00 2.01 2.14 0.00 3.36 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 47 L 7.91 3.94 0.00 1.71 1.77 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.03 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.68 3.85 0.00 2.08 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 2.26 2.25 0.00 50 Q 7.92 3.92 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 51 V 7.65 2.51 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 0.82 0.00 0.00 0.53 0.00 0.00 52 R 7.49 4.02 0.00 2.03 2.11 0.00 2.75 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 53 E 8.08 4.14 0.00 2.14 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 2.35 2.45 0.00 54 L 7.60 4.56 0.00 1.97 1.76 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.93 4.07 0.00 3.13 3.06 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 56 R 8.00 4.26 0.00 1.83 2.46 0.00 3.36 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 57 R 7.91 4.72 0.00 2.13 2.23 0.00 3.01 0.00 0.00 3.62 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 58 Y 8.56 4.50 0.00 3.10 2.97 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 59 P 0.00 4.09 0.00 2.08 2.03 0.00 4.18 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 60 E 8.02 4.33 0.00 2.13 2.21 0.00 0.00 0.00 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 2.32 0.00 61 G 7.47 4.36 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 0.00 62 D 7.79 4.62 0.00 3.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 4.29 0.00 2.07 2.11 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 Q 7.63 4.01 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 65 A 7.09 4.64 1.27 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 0.00 0.00 0.00 66 T 8.38 4.04 4.32 0.00 0.00 0.00 0.00 0.00 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 67 L 8.66 4.92 0.00 1.69 1.50 0.80 0.84 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 68 E 9.07 3.75 0.00 2.13 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 2.16 2.20 0.00 69 A 7.45 4.56 1.25 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 0.00 0.00 70 A 8.09 4.12 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