NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3623 0.0000 0.0000 62.6979 32.2765 177.8260 3 R 3.9424 7.4630 119.3981 54.8827 28.7960 173.2718 4 A 4.2451 7.7050 124.0208 50.1022 18.0400 177.2588 5 K 4.2627 8.0065 121.1440 57.0179 34.0942 178.0722 6 T 3.9800 8.5698 114.4217 66.4228 70.0802 178.2202 7 G 3.9427 8.5534 109.4815 46.5104 0.0000 174.3341 8 V 4.4331 8.6507 123.2943 60.4887 33.3174 178.1349 9 V 3.6422 7.6679 114.6271 64.8189 31.3367 178.0961 10 R 3.7702 8.0291 117.9256 59.4649 30.1160 178.2409 11 R 3.8844 7.9316 117.8921 59.9843 30.2702 177.9554 12 R 3.9125 7.7778 116.5533 59.0311 29.9322 178.9565 13 K 3.8962 7.9603 118.7348 59.5142 32.3399 178.6827 14 H 4.6184 8.2030 116.7670 58.1980 29.0799 177.5504 15 K 4.0400 8.0607 119.8810 59.1300 32.1864 179.0468 16 K 3.9904 7.9052 120.2261 59.6715 31.9309 179.2072 17 I 3.8792 7.9763 120.2992 64.1091 36.7866 178.2650 18 L 3.9635 7.9464 118.7676 57.7231 41.4530 179.4576 19 K 4.0718 7.5282 117.2938 59.3800 32.2879 179.0600 20 L 4.0870 8.1366 118.6509 56.6572 42.4382 176.3686 21 A 4.3436 7.8506 121.3356 51.5654 19.3968 176.2541 22 K 4.0589 7.7060 119.6954 58.0091 33.2383 177.7112 23 G 3.7949 8.7129 109.3572 46.4906 0.0000 172.4590 24 Y 5.1324 7.6794 116.1294 55.1705 40.0510 175.7462 25 W 4.2899 9.1875 133.7242 58.7264 32.7572 178.4949 26 G 3.8477 7.4473 112.6074 47.0423 0.0000 174.2959 27 L 4.5456 8.7685 125.4088 54.4620 42.2828 177.4557 28 R 4.3782 8.3035 118.0007 57.4531 29.8230 177.6706 29 S 4.8899 7.8448 110.8419 57.9433 63.9269 174.6863 30 K 4.4369 8.0044 118.5445 56.2449 34.6920 176.0150 31 S 4.4955 8.4411 117.1353 57.1805 62.2239 175.1619 *32 F 4.0756 8.6920 130.3450 60.8524 37.8934 172.5067 33 R 4.6666 7.5797 114.5947 58.9388 31.4001 178.3591 34 K 4.1425 8.6940 116.5028 59.3156 32.1604 178.2959 35 A 4.4100 8.5858 124.4640 52.7333 18.1450 179.2487 36 R 3.4953 7.7345 114.5097 59.1556 30.6873 178.5181 37 E 4.2135 8.1905 118.0714 60.1739 29.5483 179.7468 38 T 3.9450 8.1432 115.7157 66.1163 68.3670 177.0685 39 L 3.9475 7.5784 120.7227 57.9335 41.5405 179.0263 40 F 4.3534 7.7592 116.2605 61.3400 39.0614 177.0462 41 A 3.6982 7.7231 119.1776 54.1324 17.9803 179.0054 42 A 4.0484 8.3437 117.5326 55.5055 18.1987 180.0243 43 G 3.9522 8.2727 103.1843 48.4798 0.0000 175.1927 44 N 4.3843 8.2976 118.6192 55.8458 38.4803 176.9297 45 Y 4.4040 7.4854 117.1740 62.0406 38.4535 178.1101 46 A 3.8964 9.0217 120.2180 54.8002 18.1954 179.5171 47 Y 4.2120 7.5709 115.2839 59.7149 39.9290 178.5332 48 A 3.8162 8.3124 121.7913 55.6970 18.4350 179.3781 49 H 4.3328 8.7891 114.8256 58.8057 28.3547 178.1847 50 R 3.8728 8.0931 119.5895 59.2926 29.8028 178.8948 51 K 3.9097 8.0469 116.1798 58.4670 32.2232 178.6444 52 R 4.2863 7.3373 117.6096 57.6883 30.9175 178.2270 53 R 3.9291 8.5110 121.0072 58.7357 29.5001 178.5092 54 K 4.0921 7.6761 117.2036 58.4161 31.7558 178.5531 55 R 4.3793 8.1220 117.3188 57.0163 31.5227 177.7975 56 D 4.3042 7.5319 118.7191 56.9548 40.7651 178.3706 57 F 4.0315 7.4582 117.4753 60.1448 37.9165 178.2535 58 R 3.9482 6.9951 116.2761 58.8487 29.8129 178.3834 59 R 4.0282 7.6184 117.0115 58.1654 30.8710 178.4524 60 L 3.9844 7.3459 116.8133 56.7154 42.0125 178.5800 61 W 4.8100 7.5835 117.8567 58.8624 30.0553 177.9490 62 I 3.8635 7.2561 118.7578 65.0729 36.7990 178.0676 63 V 3.6308 8.0885 119.0706 65.6123 31.3471 177.9311 64 R 3.8196 7.9511 116.5881 59.6208 30.2240 178.3690 65 I 3.6064 8.3273 119.4744 65.2853 37.2099 177.1760 66 N 4.3123 8.5189 116.9487 56.4541 38.3932 176.4414 67 A 3.9670 7.8041 122.4125 55.7425 19.0630 178.7189 68 A 4.0697 7.9737 118.9141 55.8685 18.2600 179.1582 69 C 4.2685 8.2799 112.1682 60.0096 30.3107 175.2378 70 R 5.1218 8.3594 123.1511 57.7359 29.6104 176.7210 71 Q 4.3335 7.9110 117.3253 56.8228 29.2378 175.2211 72 H 4.9016 9.1845 113.5833 55.6161 30.9247 173.6916 73 G 4.1060 6.7433 114.6005 45.4836 0.0000 174.1085 74 L 4.6069 7.2211 122.4613 53.5102 43.3612 174.7953 75 N 5.2239 8.2445 113.7571 50.7244 40.4966 174.2187 76 Y 4.0411 8.8375 119.9095 61.5674 38.3704 178.9650 77 S 4.4097 8.2947 114.5842 61.1191 62.9909 176.7082 78 T 3.9698 8.7542 119.1671 66.1845 68.5885 176.5655 79 F 3.8885 8.2047 121.9699 61.6744 39.0940 177.1913 80 I 3.8829 7.9092 118.8425 64.0882 36.7886 178.0029 81 H 4.2291 7.9105 119.6296 59.5178 29.5878 176.6519 82 G 3.4046 8.0916 107.5959 47.0674 0.0000 175.2574 83 L 3.2067 7.7731 121.5354 56.7087 41.6613 179.5681 84 K 4.0629 7.2713 117.9871 58.1695 32.6688 178.3067 85 K 4.0806 7.8849 119.8711 59.1480 32.0806 178.3408 86 A 4.1385 8.3095 118.4433 52.7534 18.2684 178.4405 87 G 3.8050 7.9600 106.0452 45.5018 0.0000 174.7751 88 I 4.0553 7.0429 113.9455 59.5446 36.8613 176.1874 89 E 4.3742 8.2839 135.0000 56.3350 29.7464 176.5419 90 V 4.1883 7.0524 123.9944 60.5920 30.4409 175.8983 91 D 4.0007 9.1826 112.5340 51.1250 41.9321 169.7717 92 R 3.9766 6.9827 130.1909 56.4864 28.7114 178.1996 93 K 4.4960 8.0349 124.6421 58.8141 32.4427 177.5202 94 N 2.0000 7.4824 115.4569 56.9466 38.3957 175.7326 95 L 4.4345 8.3448 120.0804 55.2345 41.9416 178.6235 96 A 4.4912 7.7268 121.1087 52.5093 17.9001 178.5508 97 D 4.2276 7.3847 118.7107 55.4733 39.2492 178.2195 98 L 3.8076 7.7906 121.7372 58.0583 41.4637 178.9061 99 A 3.0766 6.6460 119.6196 55.1183 18.1615 179.1399 100 V 3.6729 8.0288 115.2692 65.9007 33.3977 176.7905 101 R 3.9017 7.9464 118.7095 57.1469 27.7101 178.7663 102 E 4.1874 9.3098 129.0277 57.1324 28.4082 176.1786 103 P 4.6130 0.0000 0.0000 65.1319 32.0371 177.7109 104 Q 4.0329 7.9547 117.9425 58.3698 29.1037 177.8565 105 V 3.7059 7.7514 118.9491 65.4792 31.6130 177.8705 106 F 4.3040 8.1039 120.0905 61.3540 39.3402 177.1870 107 A 4.0161 8.7699 120.6132 54.7239 18.0407 179.5360 108 E 3.9519 8.0314 117.5615 59.6839 29.6497 179.1340 109 L 3.8953 7.6824 118.5295 57.7433 41.5154 179.8265 110 V 3.4363 7.5328 118.0622 66.2605 31.0210 178.1093 111 E 3.9300 7.7582 116.3149 58.9813 29.0170 179.4182 112 R 3.9945 7.6806 117.4110 58.7661 30.2939 178.2402 113 A 3.8311 8.2440 121.9007 54.5312 18.5668 179.5336 114 K 3.9306 8.4467 116.5404 58.9159 32.3212 179.0863 115 A 3.8696 7.2479 120.8496 55.2546 18.5578 179.2005 116 A 4.0762 7.4682 116.7396 53.4418 19.7367 178.1710 117 Q 4.3923 8.7693 117.1526 51.3966 27.9198 176.0721 118 G 3.4445 8.0620 109.6044 45.2948 0.0000 170.5776 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 P 0.00 4.36 0.00 2.06 2.10 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 7.46 3.94 0.00 1.85 1.86 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 4 A 7.70 4.25 1.26 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 0.00 0.00 5 K 8.01 4.26 0.00 1.88 1.88 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.61 7.81 6 T 8.57 3.98 4.24 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 1.21 0.00 0.00 7 G 8.55 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 0.00 0.00 0.00 8 V 8.65 4.43 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 0.86 0.00 0.00 0.93 0.00 0.00 9 V 7.67 3.64 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 0.76 0.00 0.00 0.97 0.00 0.00 10 R 8.03 3.77 0.00 1.87 1.92 0.00 3.26 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 11 R 7.93 3.88 0.00 1.93 1.94 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 12 R 7.78 3.91 0.00 2.14 1.92 0.00 3.20 0.00 0.00 3.16 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 13 K 7.96 3.90 0.00 1.67 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.63 7.81 14 H 8.20 4.62 0.00 3.47 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.06 4.04 0.00 1.99 2.08 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.53 7.81 16 K 7.91 3.99 0.00 1.99 1.88 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.72 7.81 17 I 7.98 3.88 2.00 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 1.46 0.48 0.90 0.00 0.00 18 L 7.95 3.96 0.00 1.81 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.53 4.07 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.74 7.81 20 L 8.14 4.09 0.00 1.83 1.69 0.91 0.97 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 21 A 7.85 4.34 1.50 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 0.00 0.00 22 K 7.71 4.06 0.00 1.63 1.64 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.31 7.81 23 G 8.71 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 24 Y 7.68 5.13 0.00 3.00 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 25 W 9.19 4.29 0.00 3.51 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 26 G 7.45 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 27 L 8.77 4.55 0.00 1.80 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.30 4.38 0.00 2.10 1.91 0.00 3.08 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 29 S 7.84 4.89 0.00 4.08 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 0.00 30 K 8.00 4.44 0.00 1.71 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.35 7.81 31 S 8.44 4.50 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 4.08 0.00 2.42 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 0.00 0.00 0.00 33 R 7.58 4.67 0.00 1.83 1.98 0.00 3.13 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 34 K 8.69 4.14 0.00 1.87 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.63 7.81 35 A 8.59 4.41 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 36 R 7.73 3.50 0.00 1.81 2.07 0.00 3.32 0.00 0.00 3.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.34 0.00 37 E 8.19 4.21 0.00 2.25 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 0.00 2.46 2.56 0.00 38 T 8.14 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 39 L 7.58 3.95 0.00 1.56 1.56 0.84 1.28 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 40 F 7.76 4.35 0.00 3.19 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 41 A 7.72 3.70 1.17 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 42 A 8.34 4.05 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 43 G 8.27 3.95 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 0.00 0.00 0.00 44 N 8.30 4.38 0.00 2.86 2.67 0.00 0.00 6.97 7.61 0.00 0.00 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 Y 7.49 4.40 0.00 3.05 2.91 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 46 A 9.02 3.90 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 47 Y 7.57 4.21 0.00 2.92 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 48 A 8.31 3.82 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 49 H 8.79 4.33 0.00 3.35 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.09 3.87 0.00 2.12 2.04 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 51 K 8.05 3.91 0.00 1.93 1.91 0.00 1.85 0.00 0.00 2.07 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.93 1.74 7.81 52 R 7.34 4.29 0.00 2.09 1.89 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.00 53 R 8.51 3.93 0.00 1.71 2.00 0.00 3.07 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.00 54 K 7.68 4.09 0.00 1.66 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.68 7.81 55 R 8.12 4.38 0.00 1.71 1.91 0.00 3.15 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 56 D 7.53 4.30 0.00 2.28 2.33 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 57 F 7.46 4.03 0.00 2.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.00 3.95 0.00 1.99 2.05 0.00 3.13 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 59 R 7.62 4.03 0.00 1.94 1.86 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 60 L 7.35 3.98 0.00 1.39 1.68 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.58 4.81 0.00 3.48 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 62 I 7.26 3.86 1.87 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 1.63 0.80 0.03 0.00 0.00 63 V 8.09 3.63 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 1.01 0.00 0.00 0.96 0.00 0.00 64 R 7.95 3.82 0.00 2.18 1.95 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 65 I 8.33 3.61 2.08 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 1.51 0.92 0.87 0.00 0.00 66 N 8.52 4.31 0.00 3.08 2.83 0.00 0.00 7.14 7.61 0.00 0.00 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 A 7.80 3.97 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 68 A 7.97 4.07 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.28 4.27 0.00 3.27 2.92 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 70 R 8.36 5.12 0.00 2.04 2.14 0.00 3.16 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 71 Q 7.91 4.33 0.00 2.38 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 72 H 9.18 4.90 0.00 3.09 3.29 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 6.74 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 4.61 0.00 1.94 1.89 1.19 0.25 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 75 N 8.24 5.22 0.00 3.01 2.98 0.00 0.00 5.56 7.57 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 76 Y 8.84 4.04 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 77 S 8.29 4.41 0.00 4.21 3.98 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 78 T 8.75 3.97 4.41 0.00 0.00 0.00 0.00 0.00 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 79 F 8.20 3.89 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.91 3.88 1.70 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 0.81 -0.29 0.88 0.00 0.00 81 H 7.91 4.23 0.00 3.34 3.53 0.00 5.79 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 82 G 8.09 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.21 0.00 1.70 1.87 -0.03 0.76 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 84 K 7.27 4.06 0.00 1.91 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 85 K 7.88 4.08 0.00 1.86 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 86 A 8.31 4.14 1.18 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 0.00 0.00 87 G 7.96 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.04 4.06 1.85 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 1.18 0.70 0.92 0.00 0.00 89 E 8.28 4.37 0.00 1.96 1.96 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 2.31 2.31 0.00 90 V 7.05 4.19 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 0.85 0.00 0.00 0.94 0.00 0.00 91 D 9.18 4.00 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 6.98 3.98 0.00 2.04 1.85 0.00 3.20 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 93 K 8.03 4.50 0.00 2.29 2.18 0.00 1.80 0.00 0.00 1.96 0.00 0.00 3.27 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.85 1.82 7.81 94 N 7.48 2.00 0.00 2.10 2.35 0.00 0.00 7.18 6.66 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 95 L 8.34 4.43 0.00 1.82 1.58 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.73 4.49 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 97 D 7.38 4.23 0.00 2.77 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 98 L 7.79 3.81 0.00 1.64 1.80 0.98 0.99 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 99 A 6.65 3.08 -0.33 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 0.00 100 V 8.03 3.67 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 0.73 0.00 0.00 0.81 0.00 0.00 101 R 7.95 3.90 0.00 1.75 1.53 0.00 3.20 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 102 E 9.31 4.19 0.00 2.14 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 2.35 2.26 0.00 103 P 0.00 4.61 0.00 2.37 2.37 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 104 Q 7.95 4.03 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 105 V 7.75 3.71 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 1.08 0.00 0.00 0.96 0.00 0.00 106 F 8.10 4.30 0.00 3.22 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 0.00 107 A 8.77 4.02 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 0.00 108 E 8.03 3.95 0.00 2.22 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 2.40 2.50 0.00 109 L 7.68 3.90 0.00 1.82 1.64 1.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.53 3.44 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 1.16 0.00 0.00 0.70 0.00 0.00 111 E 7.76 3.93 0.00 2.02 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 2.53 2.46 0.00 112 R 7.68 3.99 0.00 1.77 1.88 0.00 3.27 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 113 A 8.24 3.83 0.75 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 0.00 114 K 8.45 3.93 0.00 1.93 2.04 0.00 1.36 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.41 7.81 115 A 7.25 3.87 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 0.00 116 A 7.47 4.08 1.18 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 0.00 0.00 117 Q 8.77 4.39 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 118 G 8.06 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 * Residues marked with a * may have inaccurate shift predictions.