NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3614 0.0000 0.0000 62.4964 32.6396 175.0698 3 R 4.2140 8.4161 120.0854 53.9823 31.8874 173.9417 4 A 4.5422 9.0925 129.8086 50.0132 19.8535 175.8878 5 K 4.1938 8.2875 120.4465 57.1989 33.0399 177.8011 6 T 4.0273 8.7561 119.2024 66.4940 69.5889 176.0786 7 G 3.8173 7.6098 107.1867 47.0788 0.0000 174.7814 8 V 3.6060 9.2450 124.1875 66.6148 31.0656 179.4397 9 V 2.8357 6.2067 114.5742 63.2485 33.3560 176.7152 10 R 3.8635 8.0432 116.2389 59.8540 30.1437 178.4287 11 R 3.7848 7.8514 117.0273 59.7857 30.0363 178.7672 12 R 3.8814 7.9352 116.8315 59.3340 30.3838 178.6401 13 K 3.8428 8.3072 118.5648 60.1831 32.0058 178.9960 14 H 4.1455 8.5998 116.3516 58.6833 28.6259 177.8275 15 K 3.9032 8.2652 120.8050 60.0155 31.9384 179.0368 16 K 3.8942 8.0188 118.6698 59.4036 32.4922 178.8095 17 I 3.8319 7.5564 119.2817 64.6333 37.0207 178.5950 18 L 4.0376 8.2248 119.8028 57.5769 40.8731 179.4991 19 K 3.8773 8.4187 118.9851 59.5502 31.8058 178.8428 20 L 4.1665 7.6597 116.4400 56.0342 41.9571 177.9553 21 A 4.3141 7.6532 120.0433 50.1887 19.4738 176.3411 22 K 3.9062 6.8078 117.8456 57.9439 32.3793 177.2933 23 G 3.9599 8.8387 111.4984 45.6277 0.0000 173.1494 24 Y 4.9136 7.0532 116.7383 57.1030 40.4040 176.2967 25 W 4.5217 9.1489 135.0000 58.3729 30.3118 179.3954 26 G 4.3402 9.7167 109.6801 44.9644 0.0000 176.7964 27 L 4.2536 8.9780 128.5173 56.1744 41.4914 178.3993 28 R 4.2577 8.1628 118.3414 58.0312 30.0902 177.5020 29 S 4.9226 8.0580 109.9594 57.5698 63.9112 174.5791 30 K 4.4038 7.9720 118.7969 56.2148 34.5869 175.8261 31 S 4.6027 8.4772 117.1554 56.8226 63.1391 175.2348 *32 F 4.2259 8.8829 123.5754 57.8529 37.4566 171.4836 33 R 4.4469 7.8416 118.2752 56.6782 33.2382 178.9051 34 K 4.2706 7.3445 117.7089 60.0648 32.4325 177.4230 35 A 4.3119 8.1264 120.1107 54.8881 18.2765 178.7487 36 R 3.6519 7.7899 114.2567 59.3240 30.1081 178.5870 37 E 3.7700 8.1990 118.2813 59.9360 29.5097 179.4356 38 T 3.7357 7.9185 115.5312 66.8392 68.4476 176.5865 39 L 4.1496 7.7959 120.4123 57.1854 41.4957 179.7206 40 F 4.4717 7.6215 118.1897 60.5918 39.0193 177.2956 41 A 3.6404 8.1192 119.6677 55.1170 17.9606 179.3466 42 A 4.0679 7.9553 119.0577 55.3505 18.6531 179.5899 43 G 3.9340 8.2225 104.2814 49.0480 0.0000 174.9605 44 N 4.3720 8.5720 119.5984 55.3233 38.4996 177.2885 45 Y 4.3185 7.8722 117.4750 61.2312 38.1017 178.9636 46 A 4.0662 8.3257 121.6736 55.5305 18.2847 178.9758 47 Y 3.9273 8.0715 117.1476 60.6633 39.0113 177.5722 48 A 4.1168 8.7531 122.1393 56.0358 18.4484 179.3639 49 H 4.4241 8.7667 114.3789 58.6229 28.6202 178.1174 50 R 3.7746 8.1492 119.8182 59.8107 29.7206 178.1035 51 K 3.9431 8.5060 118.8905 56.8893 31.6134 181.1388 52 R 3.5764 7.9111 118.6985 58.6967 30.6481 178.1857 53 R 3.8662 8.6409 118.9686 59.9491 29.9374 178.5542 54 K 4.1373 9.4154 118.6082 58.5461 32.0582 178.8575 55 R 4.1885 7.7860 115.0854 57.3788 30.1586 178.2655 56 D 4.0913 8.0610 120.6032 57.5319 40.8305 178.7061 57 F 3.5049 7.8733 118.0296 59.8617 38.6280 177.6565 58 R 3.8394 7.0730 117.3762 59.6311 29.8559 178.9104 59 R 3.8045 7.7445 116.9981 59.7475 30.1113 178.4812 60 L 3.7588 7.3526 117.2893 57.9683 41.5453 179.4087 61 W 4.8093 7.9245 117.9982 60.4825 29.2812 178.4692 62 I 3.7592 8.1403 119.2953 64.7455 36.6129 178.6363 63 V 3.5270 7.9832 118.7460 66.5032 31.1089 177.3997 64 R 3.8797 8.3809 116.5440 59.6638 30.1925 178.3117 65 I 4.0097 8.7368 119.2059 64.9448 37.6038 177.7166 66 N 4.5453 9.1629 117.5629 56.6035 39.4878 175.7791 67 A 4.5248 7.8275 120.6831 50.6774 17.3605 176.0375 68 A 4.4407 7.4268 127.1524 53.2376 26.1783 178.9124 69 C 4.5678 8.3102 111.2739 60.7446 30.1356 175.2783 70 R 4.6389 7.8013 117.5679 56.8079 29.5482 177.0510 71 Q 4.1246 7.7349 115.8104 59.9076 28.9428 177.0398 72 H 4.5619 7.9502 112.7095 55.7680 28.8682 175.1716 73 G 3.7132 7.6611 107.2505 44.0359 0.0000 173.2642 74 L 4.4151 7.0712 119.4718 54.0167 42.9826 174.3977 75 N 4.4918 8.2561 117.0564 53.7955 40.1783 175.4645 76 Y 4.3039 8.7196 124.8898 61.0128 38.9715 178.7441 77 S 4.5416 8.6005 114.6248 62.1140 62.7603 176.3837 78 T 3.8555 8.0042 119.1778 66.0131 68.3647 175.8299 79 F 4.4063 8.5153 122.6779 62.0214 39.2935 176.6921 80 I 2.9621 8.3349 120.0301 64.2486 36.7895 177.5349 81 H 4.0472 8.3298 118.6430 59.7350 29.5217 176.9758 82 G 3.7581 8.2044 108.4439 47.1749 0.0000 175.3101 83 L 4.0585 7.5279 121.6662 57.4840 41.7248 179.1628 84 K 3.7344 8.0065 118.9689 60.1601 31.7397 178.6124 85 K 4.0200 8.1577 119.2550 59.4052 32.2042 179.0699 86 A 4.1807 8.7885 121.4467 52.3151 19.3326 175.3915 87 G 3.6232 8.3538 108.4485 45.7266 0.0000 172.8664 88 I 4.5300 7.7069 115.5294 58.8157 37.5331 177.9787 89 E 4.1976 8.2056 130.9457 56.7654 29.5812 176.6301 90 V 4.4064 7.2403 118.9723 61.6166 32.3625 173.0427 91 D 4.0551 8.9243 110.9260 51.2408 42.0817 170.0592 92 R 3.8460 7.4918 121.8513 55.6125 31.4523 177.2880 93 K 4.1137 8.7433 124.7157 59.8782 32.5479 178.1371 94 N 2.0000 7.6511 115.9121 55.8062 38.7540 175.2618 95 L 4.2942 7.9559 115.9393 54.5997 41.9193 177.2842 96 A 4.5275 7.5411 120.7376 51.6536 18.0943 178.8074 97 D 4.6024 7.9080 121.9560 55.6208 40.5964 178.5908 98 L 4.0609 8.4261 120.6464 57.1624 41.4798 178.3655 99 A 3.3690 7.9665 119.3483 55.5401 18.0808 178.0999 100 V 3.7807 7.8200 115.3254 63.5380 32.4565 176.0455 101 R 3.8918 7.5309 116.1004 57.7621 30.8156 176.0997 102 E 4.4115 8.9698 112.6387 56.0088 27.8223 173.4589 103 P 4.3551 0.0000 0.0000 65.0673 32.1416 177.9292 104 Q 3.9822 8.1519 118.7006 58.9945 28.7337 178.2068 105 V 3.5595 7.7795 118.5325 66.3421 31.5952 177.9198 106 F 4.0086 7.8513 119.5172 61.0408 39.2591 176.5032 107 A 3.8020 8.5371 120.9088 55.5607 18.0075 179.2727 108 E 3.8220 8.3229 116.4841 59.7171 29.3739 179.5721 109 L 3.8046 7.5398 118.0156 58.0001 41.9182 179.8575 110 V 3.4222 7.5080 117.8922 65.8868 31.4723 177.8253 111 E 3.8819 7.9724 118.1028 59.7441 29.3925 179.4355 112 R 3.9203 8.1957 117.9110 59.5258 29.9391 178.8289 113 A 4.0856 8.2282 120.7469 54.4714 18.8192 179.2455 114 K 4.1693 7.9685 115.4729 58.4088 32.9495 179.0000 115 A 3.9373 8.2999 122.3326 55.2548 18.5351 179.1067 116 A 4.1406 7.6725 115.9947 53.3069 19.7754 177.6661 117 Q 4.6519 7.6778 115.6838 54.1056 28.7315 176.0198 118 G 3.7246 7.5927 109.8278 45.7561 0.0000 170.7764 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 2.19 2.12 0.00 3.68 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 1.88 1.96 0.00 3 R 8.42 4.21 0.00 1.84 1.83 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 4 A 9.09 4.54 1.25 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 0.00 0.00 0.00 5 K 8.29 4.19 0.00 1.76 1.76 0.00 1.79 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 1.44 1.46 7.81 6 T 8.76 4.03 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 7.61 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 8 V 9.24 3.61 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 6.21 2.84 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 1.07 0.00 0.00 1.04 0.00 0.00 10 R 8.04 3.86 0.00 1.92 1.88 0.00 3.24 0.00 0.00 3.30 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 11 R 7.85 3.78 0.00 1.90 2.09 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 12 R 7.94 3.88 0.00 2.10 1.96 0.00 3.22 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 13 K 8.31 3.84 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.55 7.81 14 H 8.60 4.15 0.00 3.37 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.27 3.90 0.00 1.97 2.18 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.46 7.81 16 K 8.02 3.89 0.00 1.92 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.56 7.81 17 I 7.56 3.83 1.95 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 1.49 1.32 0.86 0.00 0.00 18 L 8.22 4.04 0.00 1.80 1.70 0.94 1.19 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 19 K 8.42 3.88 0.00 1.95 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 20 L 7.66 4.17 0.00 1.83 1.72 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.65 4.31 1.41 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 0.00 0.00 0.00 22 K 6.81 3.91 0.00 1.66 1.69 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.48 7.81 23 G 8.84 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 0.00 0.00 0.00 24 Y 7.05 4.91 0.00 3.11 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 25 W 9.15 4.52 0.00 3.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 9.72 4.34 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 0.00 27 L 8.98 4.25 0.00 1.76 1.75 0.95 0.90 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 28 R 8.16 4.26 0.00 2.03 2.12 0.00 3.08 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 29 S 8.06 4.92 0.00 3.96 4.08 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 0.00 0.00 0.00 30 K 7.97 4.40 0.00 1.72 1.84 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.31 7.81 31 S 8.48 4.60 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 F 8.88 4.23 0.00 2.34 2.17 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 33 R 7.84 4.45 0.00 1.78 1.74 0.00 3.13 0.00 0.00 3.18 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 34 K 7.34 4.27 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.68 7.81 35 A 8.13 4.31 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 36 R 7.79 3.65 0.00 1.64 1.89 0.00 3.12 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.00 37 E 8.20 3.77 0.00 2.09 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 0.00 2.33 2.46 0.00 38 T 7.92 3.74 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 0.44 0.00 0.00 39 L 7.80 4.15 0.00 1.62 1.66 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.62 4.47 0.00 3.12 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 41 A 8.12 3.64 1.06 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 0.00 0.00 42 A 7.96 4.07 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 43 G 8.22 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.57 4.37 0.00 2.72 2.75 0.00 0.00 7.12 7.05 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 45 Y 7.87 4.32 0.00 2.99 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 46 A 8.33 4.07 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 47 Y 8.07 3.93 0.00 3.14 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 48 A 8.75 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.42 0.00 3.20 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.15 3.77 0.00 1.80 1.93 0.00 3.15 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 51 K 8.51 3.94 0.00 1.83 1.62 0.00 1.58 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 52 R 7.91 3.58 0.00 1.92 1.87 0.00 3.25 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 53 R 8.64 3.87 0.00 1.93 2.19 0.00 3.25 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 54 K 9.42 4.14 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 55 R 7.79 4.19 0.00 1.98 2.15 0.00 2.95 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 56 D 8.06 4.09 0.00 2.75 2.32 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 57 F 7.87 3.50 0.00 2.54 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 7.07 3.84 0.00 2.05 2.00 0.00 3.12 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 59 R 7.74 3.80 0.00 1.87 1.86 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 60 L 7.35 3.76 0.00 1.52 1.71 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.92 4.81 0.00 3.78 3.41 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 0.00 62 I 8.14 3.76 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.47 0.00 0.00 63 V 7.98 3.53 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 1.03 0.00 0.00 0.93 0.00 0.00 64 R 8.38 3.88 0.00 2.09 2.00 0.00 3.50 0.00 0.00 3.29 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 65 I 8.74 4.01 2.48 0.00 0.00 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 1.75 1.28 1.52 0.00 0.00 66 N 9.16 4.55 0.00 2.95 2.92 0.00 0.00 7.19 9.17 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 67 A 7.83 4.52 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 68 A 7.43 4.44 1.03 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 69 C 8.31 4.57 0.00 2.64 3.25 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 0.00 70 R 7.80 4.64 0.00 2.04 2.03 0.00 3.13 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 71 Q 7.73 4.12 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 72 H 7.95 4.56 0.00 3.25 3.28 0.00 5.96 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 7.66 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 0.00 0.00 0.00 74 L 7.07 4.42 0.00 1.88 1.76 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.26 4.49 0.00 2.91 3.00 0.00 0.00 6.45 7.48 0.00 0.00 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 8.72 4.30 0.00 3.21 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 77 S 8.60 4.54 0.00 4.18 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 0.00 78 T 8.00 3.86 4.43 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 1.27 0.00 0.00 79 F 8.52 4.41 0.00 3.02 3.23 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 0.00 80 I 8.33 2.96 1.40 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 0.73 0.00 0.00 81 H 8.33 4.05 0.00 3.21 3.57 0.00 5.80 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 8.20 3.76 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 0.00 0.00 0.00 83 L 7.53 4.06 0.00 1.62 1.44 0.78 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.01 3.73 0.00 1.78 1.83 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 85 K 8.16 4.02 0.00 1.65 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.27 7.81 86 A 8.79 4.18 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 87 G 8.35 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 88 I 7.71 4.53 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.64 0.85 0.00 0.00 89 E 8.21 4.20 0.00 1.90 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 2.27 2.34 0.00 90 V 7.24 4.41 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 0.83 0.00 0.00 0.85 0.00 0.00 91 D 8.92 4.06 0.00 2.80 2.45 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 92 R 7.49 3.85 0.00 1.98 1.74 0.00 3.17 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 93 K 8.74 4.11 0.00 2.25 2.33 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.83 1.83 7.81 94 N 7.65 2.00 0.00 1.75 2.35 0.00 0.00 6.94 7.78 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 95 L 7.96 4.29 0.00 1.87 1.58 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.54 4.53 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.91 4.60 0.00 2.84 2.99 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 98 L 8.43 4.06 0.00 1.83 1.97 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.97 3.37 1.02 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 0.00 0.00 100 V 7.82 3.78 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 0.87 0.00 0.00 0.91 0.00 0.00 101 R 7.53 3.89 0.00 1.92 1.84 0.00 3.30 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 102 E 8.97 4.41 0.00 2.21 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 2.31 2.20 0.00 103 P 0.00 4.36 0.00 2.33 2.31 0.00 3.71 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 104 Q 8.15 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 105 V 7.78 3.56 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 1.06 0.00 0.00 0.95 0.00 0.00 106 F 7.85 4.01 0.00 3.03 3.21 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 0.00 107 A 8.54 3.80 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 0.00 108 E 8.32 3.82 0.00 2.00 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 2.31 2.67 0.00 109 L 7.54 3.80 0.00 1.54 1.74 0.93 0.95 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 0.00 110 V 7.51 3.42 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 0.92 0.00 0.00 0.31 0.00 0.00 111 E 7.97 3.88 0.00 2.08 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 2.40 2.46 0.00 112 R 8.20 3.92 0.00 2.04 1.99 0.00 3.25 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 113 A 8.23 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.17 0.00 2.00 2.08 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.82 1.48 7.81 115 A 8.30 3.94 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 0.00 116 A 7.67 4.14 1.25 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 0.00 0.00 0.00 117 Q 7.68 4.65 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 118 G 7.59 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.