NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6926 8.2714 118.2066 52.5083 38.9168 174.6579 12 G 3.4352 8.4068 103.9072 46.8481 0.0000 170.7082 13 V 3.6021 8.0316 120.3148 66.0136 31.9571 175.8382 14 H 4.1479 9.0350 118.3492 59.3591 29.7117 176.8134 15 D 4.2683 7.7418 120.2510 57.4305 40.5793 178.3843 16 F 4.0385 8.4038 121.0933 61.6511 39.1934 177.3894 17 I 3.7514 7.8422 118.7038 64.2202 36.8832 178.2371 18 L 3.8932 7.8957 119.8344 57.8575 41.4918 179.3888 19 V 3.5073 7.7245 118.0271 66.6017 31.2350 178.4200 20 R 3.9292 7.6156 117.0046 58.6960 29.8092 179.0352 21 A 4.0144 8.2799 121.6043 55.2787 18.4285 179.7635 22 T 3.8776 8.2581 108.4352 64.9028 68.7112 176.5518 23 A 4.0551 8.1301 123.6351 54.9755 18.4905 179.7094 24 I 3.6905 7.6077 118.4855 64.3708 37.1712 178.8314 25 V 3.6912 7.6843 118.6162 66.1971 31.3769 178.1112 26 L 4.1346 8.4611 119.0993 57.9899 41.3063 179.6419 27 T 3.9190 8.3256 116.0477 66.7890 68.3998 176.4998 28 L 4.1469 7.9595 120.3639 58.1427 41.6178 179.0643 29 Y 3.1268 8.2490 119.4399 60.4288 38.6645 178.1153 30 I 3.7216 8.2465 121.1407 64.1516 37.1900 178.2996 31 I 3.7239 8.1637 121.1948 64.5629 37.0812 177.7001 32 Y 4.1055 8.3472 120.5279 61.1117 38.6954 178.2222 33 M 4.0398 8.0549 119.6289 58.3755 32.1138 178.8914 34 V 3.7921 8.4152 119.0060 65.9020 31.3845 177.9178 35 G 3.6373 7.9735 104.6783 47.9022 0.0000 174.7084 36 F 4.0005 7.8395 123.1962 60.9167 39.0300 176.9348 37 F 3.5017 7.8436 115.2385 60.7322 38.8673 177.2561 38 A 4.3886 7.8408 116.1848 52.2164 19.3148 178.7134 39 T 4.5859 7.1659 108.5492 60.4637 69.4831 174.1821 40 S 4.2279 8.0944 113.1731 60.0408 66.0776 178.2598 41 G 3.6609 7.8718 109.1824 45.6761 0.0000 177.1443 42 E 3.7081 8.5054 130.1646 56.3621 29.1836 177.7913 43 L 4.4700 8.1536 128.7627 53.9620 41.6352 177.1761 44 T 4.0426 7.5504 113.6691 62.1219 68.6435 173.6965 45 Y 4.3192 8.8470 127.1022 60.8044 38.4096 178.4957 46 E 3.9201 8.6608 120.5790 59.2482 30.0231 179.0133 47 V 3.7333 7.8201 111.9928 63.9330 31.6299 178.0249 48 W 4.4055 8.3456 128.3369 60.8404 30.4178 177.9983 49 I 3.6996 7.5812 117.4247 63.5289 37.4886 177.9566 50 G 3.6668 7.8277 107.2178 47.4960 0.0000 175.4306 51 F 3.9892 7.9517 123.0254 60.9834 39.1407 176.5428 52 F 3.7606 7.6304 113.1526 57.9499 38.7997 176.4385 53 A 4.3470 7.2136 120.8699 52.0408 20.1208 177.9326 54 S 3.9675 6.9469 112.1609 58.4801 63.1881 174.7414 55 A 3.9318 8.8433 129.2362 55.4641 18.0192 179.5376 56 F 3.6857 8.2182 118.4211 61.8641 39.2715 177.3683 57 T 3.8112 7.7173 114.7285 66.1157 68.2332 176.9447 58 K 3.8317 7.9446 120.4904 59.3843 32.1394 179.3935 59 V 3.3731 7.7532 118.5336 66.0815 31.4802 177.5329 60 F 4.2136 7.5766 119.8965 61.9696 39.0214 177.3705 61 T 3.6521 7.8122 115.0018 66.3092 68.2342 177.0051 62 L 3.7148 7.7323 120.9937 57.3658 41.5743 179.0100 63 L 4.0733 8.4451 120.5306 58.4320 42.0088 179.0811 64 A 3.9266 7.8915 120.4478 54.8471 18.0430 179.6837 65 L 3.9150 7.7360 117.7651 57.7717 41.6506 179.5154 66 F 4.2896 8.1882 117.9214 60.8241 38.8188 177.7172 67 S 4.2333 8.1951 114.6647 61.9827 62.6528 177.0435 68 I 3.8341 7.9056 122.3031 63.8988 36.3037 177.9744 69 L 4.0159 8.1329 121.6200 58.7033 41.8928 179.0660 70 I 3.9976 7.9863 119.5149 64.2980 37.1582 177.3807 71 H 3.9807 8.7969 118.9303 59.9423 29.7267 177.1338 72 A 4.1300 8.4542 122.0595 54.6923 18.1146 179.5269 73 W 4.5185 8.0846 126.3777 60.8570 30.9106 178.1683 74 I 3.3149 7.8132 119.8516 64.2169 36.5587 178.3523 75 G 3.7519 8.1499 106.3724 48.4784 0.0000 175.5274 76 M 4.1939 8.6463 122.1530 57.5425 31.9093 178.7214 77 W 3.9639 8.2374 128.8136 60.3707 30.6960 178.1233 78 Q 3.5291 8.1533 117.9756 58.7161 28.2691 178.6646 79 V 3.3968 7.5710 119.1587 66.0157 31.4879 177.8940 80 L 3.9843 7.9948 118.9404 58.0457 41.3822 179.2875 81 T 3.8195 7.1443 106.1396 63.0079 68.7246 175.5480 82 D 4.1875 7.0883 121.5694 56.6075 41.2469 177.1808 83 Y 4.9396 7.2843 114.7736 57.5976 39.5339 175.8455 84 V 4.1258 8.1305 120.0930 61.1432 30.9289 175.8112 85 K 4.0796 8.5401 126.2709 58.7310 32.6779 177.1643 86 P 4.3092 0.0000 0.0000 62.2782 32.4496 176.6638 87 L 3.9104 8.6133 124.3356 58.2628 42.1939 178.6366 88 A 3.9868 8.0543 120.0431 55.3599 18.2825 178.9904 89 L 3.8979 7.9409 117.8429 58.4601 42.1227 179.0656 90 R 3.9330 7.9439 118.1377 59.3328 29.9801 178.3858 91 L 4.0728 8.2137 118.9706 58.1015 41.6554 179.3704 92 M 4.0645 8.1830 118.4629 58.5497 31.9083 178.8298 93 L 4.0522 8.0918 118.9839 57.9838 41.6914 179.6861 94 Q 4.1937 8.4504 118.1101 58.6828 28.5692 178.4883 95 L 3.8202 8.1128 121.4888 58.1166 42.0972 179.0988 96 V 3.5302 7.8082 118.0559 66.1564 31.4313 178.0403 97 I 3.6426 7.8828 119.4513 64.2590 36.9704 178.6633 98 V 3.1348 7.7856 119.3429 65.7919 31.3170 177.9184 99 V 3.4326 7.7324 117.9534 66.0745 31.2146 177.5535 100 A 3.8470 8.0685 120.4678 55.3564 18.0278 179.6784 101 L 3.3931 7.5934 117.2229 57.6296 41.5702 179.9545 102 V 3.5601 8.1114 118.6403 65.7996 31.3835 177.9649 103 V 3.6241 8.1194 118.4630 66.4635 31.2325 177.2097 104 Y 4.4337 8.2206 116.3554 61.6073 37.7701 179.3500 105 V 3.5507 7.7013 118.7703 66.0302 31.6125 178.1540 106 I 3.8352 8.1231 119.8348 64.5899 36.8975 177.8484 107 Y 4.3036 9.1304 121.2395 60.4348 38.5605 178.0462 108 G 3.5151 8.5120 107.0932 47.8835 0.0000 175.6716 109 F 3.8895 8.3370 120.3758 60.1473 38.6300 177.9386 110 V 3.7651 7.5602 117.3036 65.5206 31.3827 178.1766 111 V 3.5026 7.4293 117.3813 65.9780 31.7288 178.0190 112 V 3.9633 7.8541 114.3294 64.0118 31.4363 178.8446 *113 W 4.1155 7.3343 114.0385 56.7207 27.5323 178.5192 114 G 4.2232 7.8688 104.6302 45.8172 0.0000 173.5148 115 V 3.9619 7.8344 125.1631 62.7607 31.8082 175.0972 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 11 N 8.27 4.69 0.00 2.95 3.03 0.00 0.00 6.03 6.31 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 12 G 8.41 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.60 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 1.04 0.00 0.00 0.90 0.00 0.00 14 H 9.04 4.15 0.00 3.28 3.40 0.00 5.65 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 15 D 7.74 4.27 0.00 3.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.40 4.04 0.00 3.21 3.26 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 0.00 17 I 7.84 3.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.92 0.00 0.00 18 L 7.90 3.89 0.00 1.74 1.68 0.79 0.63 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 19 V 7.72 3.51 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 0.88 0.00 0.00 0.88 0.00 0.00 20 R 7.62 3.93 0.00 1.71 1.83 0.00 2.23 0.00 0.00 2.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 21 A 8.28 4.01 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 22 T 8.26 3.88 4.31 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 1.29 0.00 0.00 23 A 8.13 4.06 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 24 I 7.61 3.69 2.05 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 1.43 1.25 0.95 0.00 0.00 25 V 7.68 3.69 2.28 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 1.16 0.00 0.00 0.97 0.00 0.00 26 L 8.46 4.13 0.00 1.76 1.75 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.33 3.92 4.44 0.00 0.00 0.00 0.00 0.00 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 28 L 7.96 4.15 0.00 2.24 2.08 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.25 3.13 0.00 2.80 3.03 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 30 I 8.25 3.72 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.50 0.94 0.00 0.00 31 I 8.16 3.72 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 1.00 0.00 0.00 32 Y 8.35 4.11 0.00 3.14 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.05 4.04 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 34 V 8.42 3.79 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 35 G 7.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 4.00 0.00 2.38 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 3.50 0.00 3.07 3.03 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 38 A 7.84 4.39 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 39 T 7.17 4.59 4.15 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 0.00 0.00 0.00 1.15 0.00 0.00 40 S 8.09 4.23 0.00 3.58 3.36 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 41 G 7.87 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 0.00 0.00 0.00 42 E 8.51 3.71 0.00 1.96 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 2.31 2.33 0.00 43 L 8.15 4.47 0.00 1.59 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.55 4.04 4.30 0.00 0.00 0.00 0.00 0.00 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 45 Y 8.85 4.32 0.00 3.14 3.04 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 46 E 8.66 3.92 0.00 2.18 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 2.34 2.40 0.00 47 V 7.82 3.73 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 0.96 0.00 0.00 1.22 0.00 0.00 48 W 8.35 4.41 0.00 3.53 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.70 1.42 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 1.36 0.81 0.76 0.00 0.00 50 G 7.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 3.99 0.00 2.78 2.79 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 52 F 7.63 3.76 0.00 2.76 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 53 A 7.21 4.35 1.28 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 54 S 6.95 3.97 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 3.93 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 56 F 8.22 3.69 0.00 3.16 3.07 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 0.00 0.00 0.00 57 T 7.72 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 58 K 7.94 3.83 0.00 1.84 1.74 0.00 1.71 0.00 0.00 1.51 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.48 7.81 59 V 7.75 3.37 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 0.63 0.00 0.00 0.86 0.00 0.00 60 F 7.58 4.21 0.00 2.77 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 61 T 7.81 3.65 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 1.27 0.00 0.00 62 L 7.73 3.71 0.00 1.51 1.38 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.45 4.07 0.00 1.73 1.98 0.92 1.06 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 64 A 7.89 3.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.92 0.00 1.63 1.53 0.78 0.94 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 66 F 8.19 4.29 0.00 3.28 3.05 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 67 S 8.20 4.23 0.00 4.10 3.97 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 68 I 7.91 3.83 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 1.06 0.00 0.00 69 L 8.13 4.02 0.00 1.83 2.03 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.99 4.00 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 0.96 0.00 0.00 71 H 8.80 3.98 0.00 3.31 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.45 4.13 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 W 8.08 4.52 0.00 3.43 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 74 I 7.81 3.31 1.89 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 1.16 0.70 0.83 0.00 0.00 75 G 8.15 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 0.00 0.00 0.00 76 M 8.65 4.19 0.00 2.19 2.48 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.97 0.00 77 W 8.24 3.96 0.00 2.22 2.90 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 78 Q 8.15 3.53 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 79 V 7.57 3.40 2.26 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 1.26 0.00 0.00 0.98 0.00 0.00 80 L 7.99 3.98 0.00 1.73 1.64 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.14 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 82 D 7.09 4.19 0.00 2.07 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 83 Y 7.28 4.94 0.00 2.98 2.89 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 0.00 0.00 0.00 84 V 8.13 4.13 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.54 4.08 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.40 7.81 86 P 0.00 4.31 0.00 2.16 1.99 0.00 3.61 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 2.12 2.15 0.00 87 L 8.61 3.91 0.00 1.77 1.68 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.05 3.99 1.34 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 0.00 0.00 0.00 89 L 7.94 3.90 0.00 1.78 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.94 3.93 0.00 2.10 2.04 0.00 3.02 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 91 L 8.21 4.07 0.00 1.95 1.75 0.97 1.08 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 92 M 8.18 4.06 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 93 L 8.09 4.05 0.00 1.88 1.78 0.96 0.95 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 94 Q 8.45 4.19 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 3.10 2.65 0.00 95 L 8.11 3.82 0.00 1.84 1.84 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.81 3.53 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 1.06 0.00 0.00 1.00 0.00 0.00 97 I 7.88 3.64 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 1.06 0.00 0.00 98 V 7.79 3.13 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.53 0.00 0.00 99 V 7.73 3.43 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 0.89 0.00 0.00 0.90 0.00 0.00 100 A 8.07 3.85 1.20 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 0.00 101 L 7.59 3.39 0.00 1.67 1.63 1.07 0.58 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 0.00 102 V 8.11 3.56 2.13 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 1.05 0.00 0.00 0.88 0.00 0.00 103 V 8.12 3.62 2.34 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 1.06 0.00 0.00 0.97 0.00 0.00 104 Y 8.22 4.43 0.00 3.24 3.02 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 0.00 0.00 0.00 105 V 7.70 3.55 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 0.74 0.00 0.00 0.79 0.00 0.00 106 I 8.12 3.84 2.08 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 1.40 0.57 0.97 0.00 0.00 107 Y 9.13 4.30 0.00 3.12 3.16 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 0.00 108 G 8.51 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.34 3.89 0.00 3.41 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 0.00 110 V 7.56 3.77 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 0.69 0.00 0.00 0.97 0.00 0.00 111 V 7.43 3.50 1.97 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 0.71 0.00 0.00 0.31 0.00 0.00 112 V 7.85 3.96 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 0.68 0.00 0.00 0.77 0.00 0.00 *113 W 7.33 4.12 0.00 2.57 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 0.00 0.00 0.00 0.00 114 G 7.87 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.83 3.96 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 0.79 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.