NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9106 8.3549 109.7374 44.9507 0.0000 175.3959 3 K 3.9984 8.5606 125.6206 55.4611 32.6806 170.5713 4 V 4.5892 8.4791 120.1028 61.8786 35.8782 172.9382 5 Y 5.2368 8.8888 123.8495 56.1536 41.4606 174.5069 6 K 4.5943 8.3827 120.5360 54.6158 36.1248 174.9035 7 K 4.8495 8.4046 123.4223 54.5712 35.3155 175.8942 8 V 4.5612 8.8415 117.0709 59.4977 35.6571 174.0727 9 E 5.0010 8.7678 124.3780 54.8122 30.9606 174.7595 10 L 4.8886 8.9442 126.1581 52.8837 46.4748 175.8457 11 V 4.6428 8.1848 118.6553 61.2740 33.4547 174.6249 12 G 4.5133 8.9762 115.8285 45.2827 0.0000 171.1057 13 T 5.3679 8.0009 112.9010 60.1352 72.0804 172.8179 14 S 4.6368 8.5592 114.4935 58.3001 66.1791 175.7554 15 E 4.6539 9.0005 122.5370 56.6986 30.2489 177.4905 16 E 4.0918 8.3921 119.3094 56.9088 30.0772 177.3253 17 G 3.2798 7.1596 104.0141 44.0751 0.0000 173.5056 18 L 3.7730 7.3859 118.1708 57.9124 41.4082 179.4558 19 E 3.8617 8.0350 117.6047 59.2902 29.3368 179.0705 20 A 3.9026 7.8908 119.9080 55.3039 18.5278 179.3063 21 A 4.0829 8.0162 119.0900 55.3814 18.3504 180.0508 22 I 3.5051 7.5410 118.1976 64.5939 37.1136 178.6242 23 Q 3.8627 8.2478 118.9717 58.7597 28.5105 178.5923 24 A 3.9153 8.2982 121.9361 55.1833 18.3802 179.5822 25 A 3.8656 7.8139 118.5046 55.2570 18.5376 179.6559 26 L 3.8135 7.9187 117.2647 57.8476 41.4615 179.1870 27 A 3.9333 8.3918 120.3616 55.6689 18.7715 179.5906 28 R 3.9020 8.0410 116.0358 59.1367 30.0875 178.6045 29 A 4.0582 7.8508 120.9424 54.8453 18.1726 179.4696 30 R 3.8161 7.9314 116.6041 59.3974 30.1281 178.6415 31 K 4.1510 7.5509 116.9513 58.4592 32.1089 177.5960 32 T 4.5166 7.7117 105.1753 60.5762 70.2162 173.4536 33 L 4.4695 7.7876 122.0454 52.8396 44.3507 175.8800 34 R 4.4708 7.8913 120.4717 55.7878 32.7535 175.2388 35 H 4.1993 8.5533 115.0578 56.7228 25.7504 175.2330 36 L 4.4249 8.1612 118.6012 55.5782 41.9053 175.4229 37 D 5.1760 8.8987 122.4353 54.9786 42.7926 175.9636 38 W 5.5721 7.8404 113.0034 54.9636 32.3679 172.4665 39 F 5.2310 8.2663 113.7610 55.2614 40.9852 173.7916 40 E 4.7227 9.2688 118.6888 54.6451 33.4571 175.0192 41 V 4.1564 8.7094 124.8314 62.9784 31.8159 175.2594 42 K 4.4810 9.3226 127.8378 58.1097 33.4306 176.6341 43 E 4.8721 7.9063 116.8054 54.9224 34.5800 174.4207 44 I 5.1444 8.2636 121.3837 59.9975 40.7830 174.8774 45 R 4.5759 9.2446 123.5738 56.7238 33.0897 173.6602 46 G 4.2144 8.0310 105.6177 47.0063 0.0000 172.4112 47 T 4.7521 7.9215 109.9676 59.9903 71.6501 173.5421 48 I 4.7409 8.2613 123.4097 59.7615 39.5433 175.3436 49 G 4.2034 9.2389 117.0948 43.2154 0.0000 173.0779 50 E 3.8088 8.8334 118.6439 58.9818 29.5018 177.5490 51 A 4.5005 7.7328 118.5100 51.9301 20.2093 176.3232 52 G 4.0355 7.4878 104.3838 44.1606 0.0000 177.2284 53 V 3.9388 8.3153 126.4873 62.7240 31.4952 174.9482 54 K 4.1580 8.8469 130.0559 58.5952 32.6788 176.3849 55 E 4.8185 7.8569 120.2540 54.6203 33.4414 173.1709 56 Y 4.7943 9.5363 125.1159 57.1611 40.1045 174.4726 57 Q 4.9495 9.4727 122.7137 54.1423 32.5601 174.4992 58 V 4.6974 8.6649 124.9105 61.0143 33.9520 174.5628 59 V 4.5727 8.6004 129.6868 62.3322 32.5708 174.8456 60 L 5.2604 9.0004 127.1048 54.4325 44.5553 174.5385 61 E 5.0498 9.2436 119.9499 54.7598 32.1468 175.0681 62 V 4.4745 8.8429 124.4167 61.0315 34.0386 174.4620 63 G 3.1347 8.0479 115.5014 44.0611 0.0000 172.2485 64 F 5.6497 8.0101 116.7699 54.9700 41.7953 173.6223 65 R 4.1557 8.8796 121.6953 56.3967 30.5207 175.7112 66 L 4.9077 8.3106 126.0369 53.1574 43.5963 176.1393 67 E 4.2368 8.6482 120.3206 55.4145 30.7525 176.5347 68 E 4.1112 8.8150 121.0388 56.8774 29.4668 176.7938 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 2 G 8.35 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 3 K 8.56 4.00 0.00 1.80 1.54 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.49 7.81 4 V 8.48 4.59 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 1.07 0.00 0.00 0.94 0.00 0.00 5 Y 8.89 5.24 0.00 2.98 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 6 K 8.38 4.59 0.00 1.62 0.74 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.02 1.27 7.81 7 K 8.40 4.85 0.00 1.57 1.54 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 1.38 7.81 8 V 8.84 4.56 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 0.96 0.00 0.00 1.14 0.00 0.00 9 E 8.77 5.00 0.00 1.97 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 2.21 2.33 0.00 10 L 8.94 4.89 0.00 1.56 1.51 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.18 4.64 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.98 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 5.37 4.35 0.00 0.00 0.00 0.00 0.00 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 14 S 8.56 4.64 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.65 0.00 2.02 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 0.00 2.31 2.32 0.00 16 E 8.39 4.09 0.00 1.97 1.98 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 2.36 2.27 0.00 17 G 7.16 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 3.77 0.00 1.55 1.64 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.86 0.00 1.98 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 2.38 2.42 0.00 20 A 7.89 3.90 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 21 A 8.02 4.08 1.46 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 0.00 0.00 22 I 7.54 3.51 1.86 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 1.40 0.82 0.31 0.00 0.00 23 Q 8.25 3.86 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 A 8.30 3.92 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 25 A 7.81 3.87 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 26 L 7.92 3.81 0.00 1.77 1.66 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.39 3.93 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 28 R 8.04 3.90 0.00 1.93 1.91 0.00 3.11 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 29 A 7.85 4.06 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 30 R 7.93 3.82 0.00 1.96 2.04 0.00 3.25 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 31 K 7.55 4.15 0.00 2.00 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 32 T 7.71 4.52 4.16 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 1.17 0.00 0.00 33 L 7.79 4.47 0.00 1.41 0.74 0.67 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.89 4.47 0.00 1.65 1.55 0.00 3.26 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 35 H 8.55 4.20 0.00 3.62 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.16 4.42 0.00 1.70 1.69 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.90 5.18 0.00 3.13 3.37 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 38 W 7.84 5.57 0.00 3.29 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 39 F 8.27 5.23 0.00 3.01 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 40 E 9.27 4.72 0.00 1.95 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 0.00 2.35 2.52 0.00 41 V 8.71 4.16 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.32 4.48 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.47 7.81 43 E 7.91 4.87 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 44 I 8.26 5.14 1.92 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 1.44 0.64 1.00 0.00 0.00 45 R 9.24 4.58 0.00 1.78 2.03 0.00 2.87 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 46 G 8.03 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.92 4.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.26 4.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.92 0.00 0.00 49 G 9.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.83 3.81 0.00 1.93 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 2.29 2.31 0.00 51 A 7.73 4.50 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 52 G 7.49 4.04 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 0.00 0.00 0.00 53 V 8.32 3.94 1.78 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 -0.19 0.00 0.00 0.69 0.00 0.00 54 K 8.85 4.16 0.00 1.81 1.74 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.35 7.81 55 E 7.86 4.82 0.00 1.95 1.66 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 2.19 2.28 0.00 56 Y 9.54 4.79 0.00 3.00 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 57 Q 9.47 4.95 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.66 4.70 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.60 4.57 2.19 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 0.90 0.00 0.00 0.95 0.00 0.00 60 L 9.00 5.26 0.00 1.98 1.75 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.24 5.05 0.00 1.91 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 2.24 2.25 0.00 62 V 8.84 4.47 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 1.08 0.00 0.00 0.92 0.00 0.00 63 G 8.05 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 0.00 0.00 0.00 64 F 8.01 5.65 0.00 3.40 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 65 R 8.88 4.16 0.00 1.80 1.86 0.00 3.07 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.00 66 L 8.31 4.91 0.00 1.67 1.59 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.65 4.24 0.00 2.07 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 2.29 2.42 0.00 68 E 8.82 4.11 0.00 1.97 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 0.00 2.29 2.29 0.00