NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.9217 8.3549 109.7364 45.2442 0.0000 173.6400 14 K 4.2883 7.9305 118.1884 53.0686 33.9774 175.9324 15 T 4.3663 8.5855 113.2563 60.4120 72.1820 174.0458 16 P 4.2587 0.0000 0.0000 65.6463 31.2893 178.9549 17 I 3.8195 7.8253 118.4649 64.6123 37.0397 178.4578 18 S 4.2749 7.8967 114.8919 61.0022 62.8814 176.5807 19 L 3.9744 8.0894 122.8914 57.6379 41.3949 179.0142 20 L 4.0469 8.6371 120.9866 58.1302 42.0102 178.5877 21 Q 3.9982 8.1763 119.4263 59.3922 29.1468 178.3397 22 E 3.9650 8.4293 119.4475 59.5639 29.5569 178.6088 23 Y 4.2300 8.4303 119.8378 60.7453 38.5464 178.0315 24 G 3.7832 8.4465 108.2669 47.6473 0.0000 175.6240 25 T 3.9110 7.9447 118.1566 66.1346 68.1469 177.1628 26 R 4.0516 7.5999 119.3640 58.3670 30.1338 178.0227 27 I 4.2217 7.1958 110.1286 60.0582 37.8970 175.7807 28 G 3.7925 7.7832 106.1618 46.8790 0.0000 174.8870 29 K 4.5588 8.9024 115.6221 54.5286 32.7588 176.8632 30 T 3.9776 7.6954 115.4165 62.9075 69.3521 173.1511 31 P 4.5848 0.0000 0.0000 63.0561 32.2178 175.8040 32 V 4.5007 8.5939 121.8398 61.3593 34.7571 173.5740 33 Y 5.3326 8.8428 124.2101 56.4222 40.6933 174.7180 34 D 4.9333 9.3240 122.9589 52.1596 44.4213 174.8726 35 L 2.8444 8.3828 126.3140 55.0326 42.0907 175.7940 36 L 4.4279 8.8703 126.8197 56.1833 42.8961 177.1868 37 K 4.6593 7.8114 116.6879 54.5744 36.3885 175.3637 38 A 4.7583 8.6281 125.0891 50.3138 20.0443 174.8561 39 E 4.2962 8.9053 118.7155 56.1230 31.9141 174.6600 *45 P 4.4825 0.0000 0.0000 62.4683 33.2822 174.8745 46 N 5.1163 9.1787 121.0553 51.8786 41.9351 172.7701 47 F 5.5250 9.3079 124.8812 56.1330 42.3600 174.8064 48 T 5.1697 9.3784 119.2233 62.0522 71.3234 172.9769 49 F 5.2443 9.6316 125.7764 55.5699 42.6536 174.4200 50 R 5.2454 8.9437 122.7387 54.5531 32.8416 174.9137 51 V 4.7145 8.7110 125.0352 60.0991 34.5684 174.4687 52 T 4.9025 8.9548 119.6909 61.9130 72.0255 173.1766 53 V 4.1634 8.9386 126.7922 61.8868 32.9107 178.3181 54 G 3.8479 8.8275 120.4674 46.6026 0.0000 173.1610 55 D 4.5525 9.2716 123.7751 55.7809 42.1911 176.7852 56 T 4.3798 7.7583 116.5904 62.9158 69.4408 173.6795 57 S 5.4573 8.3795 118.3034 57.4426 66.1956 172.5073 58 C 4.7676 8.4400 114.8691 57.9494 32.9028 172.2853 59 T 5.2494 8.4842 115.3354 62.0415 71.4879 173.9576 60 G 4.3927 9.3073 109.8828 45.1145 0.0000 171.7388 61 Q 5.9343 7.8389 120.0899 53.1976 32.6449 174.6474 62 G 4.1721 8.2767 106.6985 45.4393 0.0000 172.7254 63 P 4.7525 0.0000 0.0000 64.3669 31.6234 176.9187 64 S 4.9616 7.7521 112.4939 55.3191 67.5151 174.7040 65 K 3.3630 7.8951 121.5480 59.6172 31.6351 179.7372 66 K 3.6323 7.6518 117.7334 59.1021 31.9943 179.0842 67 A 3.9442 7.7069 120.7692 55.1638 18.3193 179.6104 68 A 4.1561 8.1163 119.2919 55.3160 18.5214 180.0905 69 K 3.9050 7.7432 116.9628 59.3653 31.8483 179.2086 70 H 4.1729 8.3012 119.1564 59.1874 29.8364 177.4836 71 K 3.8424 8.0130 120.0270 59.3497 31.8954 179.1107 72 A 4.0254 8.1537 120.7601 55.2613 18.2668 179.5321 73 A 4.0102 8.2617 119.2012 55.1851 18.4798 179.3470 74 E 3.8307 8.3220 117.8991 59.4601 29.7075 179.3146 75 V 3.5569 7.8079 117.8698 66.0909 31.5826 177.8968 76 A 4.0302 8.1772 120.5065 54.8450 18.0872 179.4548 77 L 3.8326 8.1853 119.2215 58.2458 41.9962 179.2913 78 K 3.9061 7.8184 117.1163 59.6500 32.0597 178.5644 79 H 4.2232 8.0966 117.1133 59.2280 29.9473 176.9168 80 L 4.1614 8.0030 119.4711 57.4206 41.6793 177.4700 81 K 4.0738 7.8312 121.0492 56.3789 32.2273 176.2332 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 13 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.93 4.29 0.00 1.84 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 15 T 8.59 4.37 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 1.18 0.00 0.00 16 P 0.00 4.26 0.00 2.24 2.16 0.00 3.71 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 2.18 2.21 0.00 17 I 7.83 3.82 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.68 0.89 0.00 0.00 18 S 7.90 4.27 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 19 L 8.09 3.97 0.00 1.91 1.77 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.64 4.05 0.00 1.90 1.93 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.18 4.00 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 22 E 8.43 3.97 0.00 2.24 2.03 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 2.36 2.52 0.00 23 Y 8.43 4.23 0.00 3.01 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 24 G 8.45 3.78 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 0.00 25 T 7.94 3.91 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 1.19 0.00 0.00 26 R 7.60 4.05 0.00 1.92 1.95 0.00 3.20 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 27 I 7.20 4.22 1.67 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.66 0.00 0.00 28 G 7.78 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.90 4.56 0.00 1.46 1.61 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.45 7.81 30 T 7.70 3.98 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 1.22 0.00 0.00 31 P 0.00 4.58 0.00 1.78 1.95 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 32 V 8.59 4.50 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 1.00 0.00 0.00 0.92 0.00 0.00 33 Y 8.84 5.33 0.00 3.03 3.20 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 34 D 9.32 4.93 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.38 2.84 0.00 0.94 1.32 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.87 4.43 0.00 1.59 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.81 4.66 0.00 1.65 1.61 0.00 1.60 0.00 0.00 2.00 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 38 A 8.63 4.76 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 39 E 8.91 4.30 0.00 2.05 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 0.00 2.23 2.11 0.00 *45 P 0.00 4.48 0.00 1.94 2.17 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 46 N 9.18 5.12 0.00 2.66 2.59 0.00 0.00 6.90 8.36 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 47 F 9.31 5.53 0.00 3.29 3.20 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 48 T 9.38 5.17 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 1.26 0.00 0.00 49 F 9.63 5.24 0.00 3.03 3.09 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 50 R 8.94 5.25 0.00 1.91 1.78 0.00 3.03 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 51 V 8.71 4.71 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 0.72 0.00 0.00 0.26 0.00 0.00 52 T 8.95 4.90 4.18 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 1.24 0.00 0.00 53 V 8.94 4.16 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 1.04 0.00 0.00 0.90 0.00 0.00 54 G 8.83 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.27 4.55 0.00 2.68 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 56 T 7.76 4.38 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 1.16 0.00 0.00 57 S 8.38 5.46 0.00 3.88 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 58 C 8.44 4.77 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 5.25 4.28 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 1.30 0.00 0.00 60 G 9.31 4.39 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 0.00 0.00 0.00 61 Q 7.84 5.93 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 62 G 8.28 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.75 0.00 2.25 2.25 0.00 3.38 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 64 S 7.75 4.96 0.00 3.95 3.99 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 0.00 0.00 0.00 65 K 7.90 3.36 0.00 1.42 1.43 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.45 0.60 7.81 66 K 7.65 3.63 0.00 1.64 1.69 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.29 7.81 67 A 7.71 3.94 1.39 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 0.00 0.00 68 A 8.12 4.16 1.60 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 0.00 0.00 69 K 7.74 3.91 0.00 1.44 1.02 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 0.21 7.81 70 H 8.30 4.17 0.00 3.20 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.01 3.84 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.62 7.81 72 A 8.15 4.03 1.54 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 0.00 0.00 73 A 8.26 4.01 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.83 0.00 2.10 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 0.00 2.28 2.29 0.00 75 V 7.81 3.56 2.25 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 0.96 0.00 0.00 0.94 0.00 0.00 76 A 8.18 4.03 1.39 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 0.00 0.00 77 L 8.19 3.83 0.00 2.00 1.84 0.83 0.79 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 78 K 7.82 3.91 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.59 7.81 79 H 8.10 4.22 0.00 3.23 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.00 4.16 0.00 1.82 1.68 1.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.83 4.07 0.00 1.65 1.53 0.00 0.66 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.97 0.73 7.81 * Residues marked with a * may have inaccurate shift predictions.