NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.0625 8.4293 121.4497 55.8837 31.4615 176.3798 20 I 4.4133 7.2690 108.3197 58.9304 38.7816 172.5283 21 D 4.4844 7.3962 116.9156 54.1466 44.2557 176.2808 22 Y 4.3600 8.2015 123.4207 59.2865 38.7713 177.7488 23 K 3.4645 7.1863 119.5180 59.5224 33.2119 177.4415 24 D 4.6382 7.4964 121.0281 53.0526 40.1181 177.3125 25 I 3.7671 7.7554 115.0179 64.1883 37.3050 177.2444 26 A 4.0039 7.8561 121.5540 55.4631 18.5160 179.1584 27 T 4.2151 8.5445 114.3974 66.4400 68.6072 177.3648 28 L 4.2828 7.9529 120.7043 57.5468 41.4855 179.1055 29 K 4.1469 7.8078 116.1518 58.2519 31.9717 178.2168 30 N 4.4613 7.7458 116.7394 55.2110 39.5623 175.5564 31 Y 4.6256 7.8774 117.7373 57.5100 38.5704 175.4455 32 I 4.8174 7.3712 119.3230 59.9688 41.3659 175.8091 33 T 4.2706 8.1314 115.7725 61.0353 69.9641 174.3465 34 E 4.1108 8.7269 120.1186 59.8437 29.8221 178.5784 35 S 4.2101 8.3372 114.7081 62.2922 63.1185 175.0871 36 G 3.4727 7.7066 111.1000 45.4768 0.0000 174.8562 37 K 3.9724 8.1203 120.6098 56.5549 32.9144 176.2071 38 I 4.2649 8.1324 115.7432 61.1939 38.2764 175.9271 39 V 4.0463 8.0805 116.8809 60.3471 32.4589 174.3887 40 P 4.5343 0.0000 0.0000 62.9513 31.5383 176.3116 41 S 4.6090 8.8662 113.7485 59.7849 64.0653 176.1316 42 R 4.0862 8.0579 117.6209 59.2759 29.6280 179.0019 43 I 4.0221 7.5697 119.2708 60.6325 36.6895 175.9147 44 T 4.1887 8.1425 109.8087 60.9518 71.8146 175.0966 45 G 3.8962 7.5289 115.4100 47.4200 0.0000 174.3484 46 T 3.6580 8.4138 112.7065 59.3492 67.7045 173.6472 47 R 3.9163 8.7247 127.7433 56.4472 31.8888 177.0481 48 A 3.9767 8.1591 120.7153 55.0009 18.3281 179.5181 49 K 3.8495 7.9260 116.9337 59.6047 32.1696 178.7886 50 Y 4.2800 7.8032 116.5917 61.0868 37.9710 177.2539 51 Q 3.9035 7.8673 120.0722 59.7599 28.7422 178.5427 52 R 3.9504 7.7749 118.0017 59.7346 29.6247 178.5396 53 Q 3.9442 7.9674 118.6810 59.2915 29.1580 178.5365 54 L 3.9189 8.4698 121.2635 57.9200 41.9960 178.4579 55 A 3.9203 8.4973 121.0769 55.5324 18.2069 179.5509 56 R 3.7298 7.5826 115.5518 59.4272 30.1276 178.8809 57 A 4.0714 7.5478 119.0965 55.5510 18.4992 179.7776 58 I 3.6738 7.5871 117.8230 64.2898 36.8802 178.9991 59 K 3.6092 7.8646 118.7416 59.4024 32.2307 179.3314 60 R 3.4964 8.2574 118.4474 59.0874 30.0503 179.0986 61 A 4.0800 8.2725 120.7749 55.1081 18.1039 179.7813 62 R 4.3155 7.4196 116.8133 58.3483 30.1592 177.8729 63 Y 4.7642 7.8547 115.0530 58.9984 38.2788 176.5787 64 L 4.5496 7.6269 118.2735 53.6326 42.0722 176.3442 65 S 3.8486 8.0202 111.5642 59.0514 61.0158 173.1706 66 L 4.2352 7.7856 117.4712 56.5868 41.7459 176.8844 67 L 4.7660 7.4393 118.6496 52.4242 45.9073 173.3546 68 P 4.7452 0.0000 0.0000 62.3363 32.5795 176.0947 69 Y 4.0990 8.8938 118.7258 61.2670 37.9083 176.3680 70 T 4.6860 7.5028 111.2135 60.9658 70.1000 173.2515 71 D 4.5404 9.2277 127.7852 55.6715 41.4961 176.9576 72 R 4.0101 7.7117 118.5996 60.3029 30.2485 175.5488 73 H 4.1990 7.8266 120.2603 56.8702 30.7864 173.1747 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 19 E 8.43 4.06 0.00 1.76 1.89 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 1.87 1.86 0.00 20 I 7.27 4.41 1.80 0.00 0.00 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 1.20 0.87 0.82 0.00 0.00 21 D 7.40 4.48 0.00 2.50 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 4.36 0.00 3.25 3.24 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 23 K 7.19 3.46 0.00 1.64 1.43 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.32 7.81 24 D 7.50 4.64 0.00 2.49 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.77 1.89 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 1.70 0.44 1.02 0.00 0.00 26 A 7.86 4.00 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 27 T 8.54 4.22 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 1.43 0.00 0.00 28 L 7.95 4.28 0.00 1.77 1.78 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.81 4.15 0.00 1.77 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.77 7.81 30 N 7.75 4.46 0.00 2.15 2.42 0.00 0.00 6.92 8.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.88 4.63 0.00 3.10 2.98 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 0.00 0.00 0.00 32 I 7.37 4.82 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 1.00 0.00 0.00 33 T 8.13 4.27 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 1.29 0.00 0.00 34 E 8.73 4.11 0.00 1.97 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 2.32 2.39 0.00 35 S 8.34 4.21 0.00 3.90 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 36 G 7.71 3.47 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 0.00 37 K 8.12 3.97 0.00 1.97 2.00 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 38 I 8.13 4.26 2.01 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 1.37 0.88 0.91 0.00 0.00 39 V 8.08 4.05 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 0.70 0.00 0.00 1.03 0.00 0.00 40 P 0.00 4.53 0.00 1.95 2.05 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 41 S 8.87 4.61 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 42 R 8.06 4.09 0.00 2.02 2.23 0.00 2.97 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 43 I 7.57 4.02 1.89 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 1.48 0.55 0.92 0.00 0.00 44 T 8.14 4.19 4.37 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 1.22 0.00 0.00 45 G 7.53 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 0.00 0.00 0.00 46 T 8.41 3.66 4.46 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 1.33 0.00 0.00 47 R 8.72 3.92 0.00 0.67 1.27 0.00 2.87 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.00 48 A 8.16 3.98 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 49 K 7.93 3.85 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.59 7.81 50 Y 7.80 4.28 0.00 3.14 2.82 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 51 Q 7.87 3.90 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 52 R 7.77 3.95 0.00 2.05 1.95 0.00 3.19 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 53 Q 7.97 3.94 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 54 L 8.47 3.92 0.00 1.64 1.75 -0.16 1.12 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 55 A 8.50 3.92 1.35 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 0.00 0.00 0.00 56 R 7.58 3.73 0.00 2.01 1.95 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 57 A 7.55 4.07 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 0.00 0.00 0.00 0.00 0.00 58 I 7.59 3.67 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.87 0.00 0.00 59 K 7.86 3.61 0.00 1.59 1.38 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.49 7.81 60 R 8.26 3.50 0.00 1.59 1.43 0.00 2.99 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.00 61 A 8.27 4.08 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 62 R 7.42 4.32 0.00 1.87 1.55 0.00 2.78 0.00 0.00 2.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 63 Y 7.85 4.76 0.00 2.96 2.98 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 0.00 0.00 0.00 64 L 7.63 4.55 0.00 1.63 1.74 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.02 3.85 0.00 4.08 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 66 L 7.79 4.24 0.00 1.90 1.78 1.16 0.90 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 67 L 7.44 4.77 0.00 1.89 1.50 0.94 0.90 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 68 P 0.00 4.75 0.00 2.25 2.10 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 69 Y 8.89 4.10 0.00 2.94 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 70 T 7.50 4.69 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 1.30 0.00 0.00 71 D 9.23 4.54 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.71 4.01 0.00 1.88 2.01 0.00 3.37 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 73 H 7.83 4.20 0.00 3.13 3.07 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00