NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2197 8.2649 123.5860 51.5981 20.1426 176.3537 3 R 4.2077 7.9954 117.7546 57.1147 30.7903 175.1895 4 I 4.2345 8.4122 133.5306 60.9327 36.4646 178.1069 5 A 3.9809 9.1016 132.6677 55.4626 17.4962 180.1260 6 G 3.7856 8.2489 107.9625 45.7164 0.0000 174.5562 7 V 4.3990 9.5339 117.0461 62.0879 37.0706 173.8793 8 E 4.0495 8.0433 118.6891 57.4432 29.7083 177.7015 9 I 4.6612 8.0482 126.6195 60.0760 38.2421 175.8766 10 P 4.7201 0.0000 0.0000 62.9989 29.4691 176.3213 11 R 4.1466 7.5267 120.9931 57.8328 31.5277 178.0515 12 N 4.0157 8.7520 114.0555 54.7602 37.8253 174.4891 13 K 4.4427 8.4710 117.7955 55.2554 33.3232 175.9990 14 R 3.6448 7.9559 121.6869 54.6760 30.5098 177.6767 15 V 3.7482 8.0367 116.6157 63.4257 31.8687 176.7823 16 D 4.5716 7.8773 118.1851 54.0636 40.3909 177.2530 17 V 3.9214 7.9852 119.2085 63.6572 32.9598 176.8522 18 A 3.8712 7.8577 118.5567 52.8548 18.1144 177.2798 19 L 4.5967 7.4097 117.8274 56.4013 43.6023 178.9300 20 T 4.6612 7.3426 114.0416 66.1533 68.9383 174.5487 21 Y 4.8578 7.1071 119.8500 56.6468 37.0389 175.9804 22 I 4.4637 7.1236 119.6685 60.1086 41.8379 174.1636 23 Y 4.2188 8.8694 126.9675 60.6400 38.3049 175.3603 24 G 3.6222 9.4265 115.9541 45.0601 0.0000 172.7961 25 I 4.1608 7.7184 120.3137 59.7438 40.3246 174.8567 26 G 4.1614 7.8008 119.0521 45.4603 0.0000 173.9889 27 K 4.1921 8.6679 123.6966 58.3251 32.3543 177.1560 28 A 4.0110 7.7864 120.7102 55.1412 18.2481 179.5123 29 R 4.1637 7.7989 115.7171 59.4583 30.0540 178.0273 30 A 4.3362 7.7002 120.6158 53.6471 19.2628 177.6320 31 K 4.5318 8.3797 120.7768 53.9070 30.1638 174.7530 32 E 4.7273 7.6480 128.1691 56.8476 34.7390 177.6885 33 A 4.0429 7.9386 118.6642 53.6059 18.5735 178.3998 34 L 4.1120 7.5134 117.0250 57.3604 42.6376 179.0695 35 E 3.8680 8.1606 115.7150 59.6177 29.6759 179.2997 36 K 3.7508 7.4957 115.3963 57.3968 32.0123 177.5928 37 T 4.4281 8.2742 105.8136 61.3655 71.4914 173.9467 38 G 3.8169 8.2410 109.6852 46.7057 0.0000 173.3108 39 I 4.3994 7.5247 119.2255 58.8295 39.9561 175.2821 40 N 4.5996 8.5460 123.3976 52.0544 39.2589 173.4942 41 P 4.2120 0.0000 0.0000 65.7689 31.6793 177.7479 42 A 4.1184 8.1493 119.6296 54.9352 18.9314 178.2853 43 T 3.9406 7.4278 106.1152 61.6219 68.8934 174.4753 44 R 4.3727 8.3465 123.6012 56.0619 30.7836 177.7248 45 V 3.7565 8.1389 118.6923 64.9718 31.7523 177.1245 46 K 4.0702 8.0008 119.7832 58.6416 32.0623 176.5170 47 D 4.6028 7.2753 113.5998 52.9827 40.4084 174.1451 48 L 4.8045 7.8985 125.7154 53.3881 43.9196 177.7096 49 T 3.9449 8.1533 117.3536 64.2904 70.4371 175.3956 50 E 4.0203 8.8967 123.0507 59.4452 29.4032 179.6782 51 A 3.9492 7.9148 120.3457 55.3809 18.4137 179.1945 52 E 3.9337 8.1883 115.1787 60.0134 29.7439 178.8161 53 V 3.4477 8.4372 117.6726 65.3701 31.1515 177.7739 54 V 3.5655 7.2781 116.2567 66.4934 31.8720 178.0245 55 R 4.0071 8.0223 116.7933 58.8602 29.6512 177.3146 56 L 4.3463 8.0614 120.1530 57.6098 42.7060 178.3636 57 R 3.9854 8.0304 115.4918 59.4871 28.5661 177.8633 58 E 3.9175 8.6309 119.5553 59.4614 29.5420 178.3304 59 Y 4.1133 8.4050 117.4924 60.2169 38.5422 179.2568 60 V 3.2149 8.5086 111.7479 64.3920 32.4050 177.0702 61 E 3.9549 7.6858 117.4559 59.4634 29.4366 178.0297 62 N 4.6120 7.2424 113.3534 54.7685 39.4991 176.9581 63 T 3.3028 7.1306 117.3329 67.7731 68.6320 173.6581 64 W 4.6122 7.3150 114.6670 56.4634 31.1143 173.7092 65 K 4.2474 8.9731 118.8920 57.6268 33.8499 171.5846 66 L 3.8165 8.9292 131.5965 53.6714 40.4137 173.6163 67 E 4.2727 8.9144 124.8011 57.6313 29.9387 175.2848 68 G 4.0350 9.1719 119.5008 44.0800 0.0000 172.8047 69 E 5.9800 7.2834 133.0684 54.9252 30.9968 176.5878 70 L 4.3227 8.9129 126.3395 57.4397 43.0516 177.3082 71 R 4.0962 8.6293 117.5291 59.8512 29.7105 177.5280 72 A 3.9620 8.6578 120.3699 55.6111 18.3456 179.3395 73 E 3.9597 9.1354 117.6525 59.0797 29.4766 178.9820 74 V 3.6611 8.1320 117.7335 65.3525 31.8069 177.5720 75 A 4.0851 7.7887 121.0375 54.9378 18.4236 179.0976 76 A 3.9595 8.1106 118.2980 55.5773 18.2126 179.2662 77 N 4.3395 7.9332 114.9401 56.7402 38.5576 177.2554 78 I 3.6316 7.7286 120.8446 64.6593 37.2630 178.4355 79 K 3.9667 7.6496 118.6487 59.2152 31.9524 178.9370 80 R 3.9185 8.3282 119.8385 59.2337 29.9270 178.2832 81 L 4.3486 7.7000 118.0974 56.9407 41.2401 177.8126 82 M 4.5459 7.6670 117.7724 53.7842 32.3330 175.8002 83 D 4.0406 8.4111 111.5798 56.5351 38.3787 177.5154 84 I 4.4663 9.8742 119.2035 59.9244 40.0322 173.7600 85 G 3.1992 7.6327 110.9653 44.4730 0.0000 171.5216 86 C 4.8938 7.7665 120.9443 56.1443 31.8483 175.3805 87 Y 4.1348 8.7141 122.9249 60.8475 38.5044 178.4394 88 R 4.0303 8.0485 117.2984 58.1883 31.1264 178.0585 89 G 3.8686 8.6594 107.4102 47.5238 0.0000 174.4816 90 L 4.1936 7.0562 116.9564 55.1277 42.2997 178.9874 91 R 3.9298 8.5864 116.8855 57.1444 28.6677 177.1427 92 H 4.8908 8.1370 114.8668 55.5858 30.8445 173.5936 93 R 4.4078 7.6643 116.5675 58.1506 31.8014 177.1211 94 R 4.1423 8.2711 115.4265 60.0343 30.6321 177.5015 95 G 3.7330 7.4471 104.9630 46.1440 0.0000 173.2776 96 L 4.6912 8.4500 119.6023 51.3441 44.7290 175.0010 97 P 4.2626 0.0000 0.0000 62.8756 30.1381 176.1724 98 V 4.5588 7.6147 123.1656 60.8019 32.9044 175.0501 99 R 5.2216 8.8315 130.6346 58.1732 32.1738 175.0129 100 G 3.9925 8.4148 99.5512 46.5221 0.0000 172.8315 101 Q 4.5353 7.7492 123.5376 54.2126 33.1053 174.5176 102 R 4.2151 8.4946 117.9579 56.7902 30.4715 176.7069 103 T 4.5371 8.4104 110.5119 61.3190 69.6356 174.2394 104 R 4.2599 7.9475 121.1121 57.1225 30.4402 175.0544 105 T 4.3363 7.7621 104.9274 61.9935 71.5385 173.3301 106 N 3.5471 9.4458 116.1373 55.4948 38.5216 174.5926 107 A 3.9426 8.6461 123.7650 52.9017 16.4784 180.5191 108 R 4.5480 7.6950 110.8676 56.6173 29.8163 177.2833 109 T 4.4503 8.8072 117.8494 64.4137 70.6970 176.1311 110 R 4.0693 8.0755 119.2465 58.0332 30.7495 177.0629 111 K 4.1812 7.9684 122.3873 55.5422 32.1174 175.9707 112 G 4.1809 8.2545 113.0962 42.7765 0.0000 169.3980 113 P 4.0228 0.0000 0.0000 62.1916 31.5912 176.2872 114 R 3.8484 8.6014 118.5661 56.9358 28.9523 176.8939 115 K 4.3133 8.2123 124.0568 54.2316 31.0290 176.6606 116 T 4.0680 7.8991 119.9868 64.3293 69.0378 175.0365 117 V 4.3309 8.2544 117.4194 62.1624 34.8329 174.4325 118 A 3.9412 8.3660 124.7947 55.3540 18.2725 177.8166 *119 G 3.7341 7.9385 107.0546 45.8923 0.0000 172.4939 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 A 8.26 4.22 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 3 R 8.00 4.21 0.00 1.91 1.98 0.00 3.27 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 4 I 8.41 4.23 1.93 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 1.30 0.86 0.98 0.00 0.00 5 A 9.10 3.98 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 6 G 8.25 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 7 V 9.53 4.40 2.10 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 0.90 0.00 0.00 0.95 0.00 0.00 8 E 8.04 4.05 0.00 2.18 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 2.59 2.48 0.00 9 I 8.05 4.66 1.90 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 0.87 0.94 0.00 0.00 10 P 0.00 4.72 0.00 2.49 2.41 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 11 R 7.53 4.15 0.00 1.92 1.97 0.00 3.29 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 12 N 8.75 4.02 0.00 2.90 2.97 0.00 0.00 6.71 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 13 K 8.47 4.44 0.00 1.69 1.67 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 14 R 7.96 3.64 0.00 2.06 1.98 0.00 3.20 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 15 V 8.04 3.75 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 0.70 0.00 0.00 1.03 0.00 0.00 16 D 7.88 4.57 0.00 2.75 2.77 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 0.00 17 V 7.99 3.92 1.92 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 0.68 0.00 0.00 0.86 0.00 0.00 18 A 7.86 3.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.60 0.00 1.65 1.71 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.34 4.66 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 1.24 0.00 0.00 21 Y 7.11 4.86 0.00 3.23 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.12 4.46 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 1.04 0.00 0.00 23 Y 8.87 4.22 0.00 3.24 2.94 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 24 G 9.43 3.62 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 0.00 25 I 7.72 4.16 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.95 0.00 0.00 26 G 7.80 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 0.00 0.00 0.00 27 K 8.67 4.19 0.00 1.84 1.76 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 28 A 7.79 4.01 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 29 R 7.80 4.16 0.00 1.47 1.57 0.00 2.21 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 1.24 1.30 0.00 30 A 7.70 4.34 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 31 K 8.38 4.53 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 32 E 7.65 4.73 0.00 2.08 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 2.23 2.26 0.00 33 A 7.94 4.04 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 34 L 7.51 4.11 0.00 1.71 1.78 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.16 3.87 0.00 2.10 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 0.00 2.43 2.31 0.00 36 K 7.50 3.75 0.00 1.57 1.23 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 37 T 8.27 4.43 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 1.01 0.00 0.00 38 G 8.24 3.82 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 0.00 0.00 0.00 39 I 7.52 4.40 1.98 0.00 0.00 0.84 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 0.59 0.91 0.00 0.00 40 N 8.55 4.60 0.00 2.79 2.69 0.00 0.00 7.20 7.71 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 41 P 0.00 4.21 0.00 2.07 2.11 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 42 A 8.15 4.12 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 43 T 7.43 3.94 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 44 R 8.35 4.37 0.00 1.86 1.90 0.00 3.38 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 45 V 8.14 3.76 2.10 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 0.78 0.00 0.00 1.03 0.00 0.00 46 K 8.00 4.07 0.00 1.84 1.83 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 47 D 7.28 4.60 0.00 2.78 2.62 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 48 L 7.90 4.80 0.00 1.88 1.62 0.93 0.74 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 49 T 8.15 3.94 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 1.23 0.00 0.00 50 E 8.90 4.02 0.00 2.05 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 0.00 2.41 2.45 0.00 51 A 7.91 3.95 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 52 E 8.19 3.93 0.00 2.12 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 0.00 2.31 2.38 0.00 53 V 8.44 3.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 54 V 7.28 3.57 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 1.02 0.00 0.00 0.94 0.00 0.00 55 R 8.02 4.01 0.00 1.92 2.18 0.00 3.29 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 56 L 8.06 4.35 0.00 1.94 1.81 1.01 0.88 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 57 R 8.03 3.99 0.00 2.11 2.23 0.00 3.06 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 58 E 8.63 3.92 0.00 2.00 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 2.63 2.50 0.00 59 Y 8.41 4.11 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.51 3.21 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 1.24 0.00 0.00 1.14 0.00 0.00 61 E 7.69 3.95 0.00 2.09 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 0.00 2.33 2.41 0.00 62 N 7.24 4.61 0.00 2.47 2.74 0.00 0.00 7.09 7.42 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 63 T 7.13 3.30 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 -1.00 0.00 0.00 64 W 7.32 4.61 0.00 3.28 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 65 K 8.97 4.25 0.00 1.90 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.50 7.81 66 L 8.93 3.82 0.00 2.00 1.90 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.91 4.27 0.00 2.01 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 2.33 2.40 0.00 68 G 9.17 4.03 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 0.00 0.00 0.00 69 E 7.28 5.98 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 70 L 8.91 4.32 0.00 1.97 1.88 0.58 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.63 4.10 0.00 1.80 1.92 0.00 2.82 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 72 A 8.66 3.96 1.40 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 73 E 9.14 3.96 0.00 2.26 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 0.00 2.32 2.33 0.00 74 V 8.13 3.66 2.20 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 0.92 0.00 0.00 1.12 0.00 0.00 75 A 7.79 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.96 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 77 N 7.93 4.34 0.00 2.97 2.89 0.00 0.00 6.88 7.31 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 78 I 7.73 3.63 1.85 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 1.41 1.63 0.52 0.00 0.00 79 K 7.65 3.97 0.00 1.85 1.96 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 80 R 8.33 3.92 0.00 1.87 2.07 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 81 L 7.70 4.35 0.00 1.88 1.68 0.95 1.19 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 82 M 7.67 4.55 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 83 D 8.41 4.04 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.87 4.47 1.88 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 1.35 0.95 0.92 0.00 0.00 85 G 7.63 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 0.00 0.00 0.00 86 C 7.77 4.89 0.00 3.13 3.17 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 87 Y 8.71 4.13 0.00 3.05 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 88 R 8.05 4.03 0.00 1.87 1.99 0.00 3.31 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 89 G 8.66 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.06 4.19 0.00 1.63 1.55 0.97 0.92 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 91 R 8.59 3.93 0.00 1.78 2.07 0.00 3.04 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 92 H 8.14 4.89 0.00 3.03 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.66 4.41 0.00 2.01 1.87 0.00 3.45 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 94 R 8.27 4.14 0.00 1.79 1.94 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 95 G 7.45 3.73 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 0.00 0.00 0.00 96 L 8.45 4.69 0.00 1.64 1.52 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.26 0.00 2.17 2.10 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 V 7.61 4.56 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 0.92 0.00 0.00 1.00 0.00 0.00 99 R 8.83 5.22 0.00 1.83 1.89 0.00 3.41 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 100 G 8.41 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 0.00 0.00 0.00 101 Q 7.75 4.54 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 102 R 8.49 4.22 0.00 1.81 1.87 0.00 3.32 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 103 T 8.41 4.54 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 1.22 0.00 0.00 104 R 7.95 4.26 0.00 1.80 1.98 0.00 3.28 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 105 T 7.76 4.34 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 0.00 106 N 9.45 3.55 0.00 2.81 2.93 0.00 0.00 7.12 7.35 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 0.00 107 A 8.65 3.94 1.44 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 0.00 108 R 7.70 4.55 0.00 1.79 1.97 0.00 3.33 0.00 0.00 2.45 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 109 T 8.81 4.45 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 1.21 0.00 0.00 110 R 8.08 4.07 0.00 1.78 2.12 0.00 3.15 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 111 K 7.97 4.18 0.00 1.92 1.97 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.42 7.81 112 G 8.25 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 0.00 0.00 0.00 0.00 113 P 0.00 4.02 0.00 2.04 2.04 0.00 3.69 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 2.04 2.12 0.00 114 R 8.60 3.85 0.00 1.91 1.99 0.00 3.02 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 115 K 8.21 4.31 0.00 1.76 1.81 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.59 7.81 116 T 7.90 4.07 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 1.23 0.00 0.00 117 V 8.25 4.33 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 0.62 0.00 0.00 0.93 0.00 0.00 118 A 8.37 3.94 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 *119 G 7.94 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.