NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3235 8.0327 117.3747 63.3235 70.0438 174.5076 3 Q 3.9223 8.5173 126.0398 57.6486 29.0537 174.8100 4 E 3.9810 8.0233 120.7178 59.4301 30.2013 177.7917 5 T 4.0929 7.9526 109.4500 63.9661 69.1918 176.9534 6 A 3.9785 7.8860 123.4656 54.7412 18.4084 179.0303 7 L 3.9480 8.0194 119.0263 58.4346 42.2614 179.2531 8 G 3.7357 8.1593 105.3250 48.0709 0.0000 175.3479 9 A 4.0345 8.1404 122.5942 54.8224 18.3768 179.6489 10 A 3.9834 8.0171 119.4355 55.1646 18.3756 179.9403 11 L 3.9448 8.3004 118.0038 57.5405 41.6897 179.2880 12 K 3.8240 8.0626 119.6813 59.9087 32.1236 178.7194 13 S 4.0923 8.0561 112.7201 61.1826 61.9955 176.0712 14 A 3.9626 7.7212 122.9499 55.1823 18.2779 179.5611 15 V 3.6788 7.9119 115.9430 65.7969 31.8083 177.9008 16 Q 4.1443 8.2326 119.5689 59.3500 28.9751 179.1980 17 T 3.9718 7.6101 114.7641 64.2037 68.8146 175.9707 *19 S 4.3672 8.0214 116.8958 58.4143 64.3689 176.0416 20 K 4.0063 8.1955 119.6243 59.1442 31.7241 179.1353 21 K 3.8325 8.0777 119.9844 59.5369 31.8613 178.6812 22 K 3.9371 7.9020 117.8727 59.6298 32.2998 178.1145 23 Q 4.0869 7.9622 118.7573 59.1423 29.1515 177.7078 24 T 4.0009 8.4440 117.3222 66.5437 68.4721 177.6120 25 E 4.3043 8.0380 119.1958 56.5490 29.3820 179.2322 *27 I 3.2134 7.8110 121.1013 61.1809 39.3548 178.0256 28 A 3.7798 8.1007 121.9381 55.3764 17.6808 179.1270 29 D 4.3957 8.2149 117.4767 58.1247 41.0262 178.9826 30 H 4.1741 8.0276 117.8806 59.1785 29.9710 177.3056 31 I 3.6500 7.7791 121.7611 64.6190 36.7039 178.0954 32 Y 4.3316 7.9137 116.2047 60.3475 37.6814 178.0208 33 G 3.7646 7.5149 105.1692 46.2031 0.0000 175.1589 34 K 4.1476 7.5437 120.1045 56.5846 33.1507 175.9451 35 Y 4.7491 7.4144 118.3308 56.2661 39.1177 176.2516 36 D 4.4948 8.9234 125.8949 57.5883 40.8114 179.2146 37 V 3.6267 7.9296 112.1568 63.7446 31.6146 178.4072 38 F 3.7541 8.1982 117.4506 60.0435 38.9229 177.6954 39 K 4.2348 8.0367 117.3508 58.7712 32.0265 177.9331 40 R 4.5795 7.9132 115.3517 54.5876 31.1721 175.7148 41 F 3.7984 7.6624 116.0114 58.4737 36.9628 175.5273 42 K 4.4286 7.5881 118.2500 54.8579 33.6088 176.6263 43 P 4.3362 0.0000 0.0000 63.2025 32.2858 175.3258 44 L 5.1155 8.7015 124.1969 52.9783 43.2812 176.3506 45 A 4.0662 8.8791 124.1938 52.3328 19.5153 177.3904 46 L 3.9588 8.4703 120.9473 56.0751 42.3149 177.6594 47 G 4.3995 8.9373 109.9232 47.4444 0.0000 175.1723 48 I 3.8372 7.4899 121.6434 63.0084 37.7244 177.4376 49 D 4.3211 8.1483 120.1034 56.9882 39.0546 178.2434 50 Q 3.9863 8.1756 119.7269 58.5987 28.7171 179.0629 51 D 4.3582 7.6749 118.0903 57.2146 40.8524 178.6246 52 L 3.8669 8.3275 121.1416 58.2691 41.8903 179.0997 53 I 3.7257 7.9960 118.7521 64.3056 37.0692 178.0311 54 A 4.1235 7.9453 120.5943 55.0306 18.3546 179.2128 55 A 4.2281 7.9887 117.7602 53.2996 20.3089 177.7138 56 L 5.2279 7.9197 116.7526 52.0583 41.6627 175.8649 57 P 4.4019 0.0000 0.0000 64.9025 32.1692 178.2099 58 Q 4.0140 7.8482 116.4837 57.3384 28.9818 174.9245 59 Y 5.1593 7.1913 115.6943 55.4891 41.2320 175.4789 60 D 4.4087 9.3212 121.9994 54.6247 42.6268 177.5453 61 A 4.0101 8.6982 128.4146 55.2655 18.4067 179.4837 62 A 3.9968 8.1172 118.7399 54.8819 18.4041 179.2736 63 L 4.1243 7.9366 116.7930 56.8287 42.0280 179.1642 64 I 3.5734 7.7229 119.9773 64.4683 36.9817 178.1847 65 A 4.0064 7.9210 121.1942 55.0359 18.0668 179.7025 66 R 3.8077 7.6502 117.3527 59.5589 30.1586 178.9411 67 V 3.5452 7.9744 118.2926 65.7347 31.4871 177.8531 68 L 3.9633 8.0621 119.8981 58.1447 41.7963 178.6430 69 A 4.0267 8.0146 119.6569 55.2494 18.6616 179.1117 70 N 4.4595 8.4494 114.9965 56.8058 38.6849 176.8104 71 H 4.2703 8.3712 119.6061 59.8587 29.7179 176.5358 72 C 3.6490 7.9159 115.4500 61.0069 28.1528 174.8315 73 R 4.3746 7.5754 118.9308 56.0672 30.6833 176.4907 74 R 4.1900 7.5334 118.2353 55.8897 31.0682 175.4169 75 P 4.4173 0.0000 0.0000 66.2672 31.4091 179.0085 76 R 3.6917 7.7645 115.8688 59.3473 29.7441 178.4081 77 Y 4.2117 7.8436 118.6943 60.7001 39.0335 177.2539 78 L 3.9758 8.1736 119.9444 58.0190 41.7197 179.8240 79 K 4.0263 8.3518 118.0971 59.1396 32.0465 179.3206 80 A 3.9574 7.7073 120.8390 55.1318 18.0497 179.7187 81 L 3.8232 7.5977 116.3291 57.7486 41.7137 179.3162 82 A 4.1054 7.6984 120.0529 54.8989 18.3432 179.3634 83 R 3.9594 7.7516 117.0242 59.2466 30.6261 177.8346 84 G 3.6971 8.0729 105.8511 45.4120 0.0000 172.0361 85 G 3.7952 8.4313 105.2335 44.1379 0.0000 172.4823 86 K 4.2544 8.0712 119.4837 56.5151 32.8827 177.4543 87 R 4.8187 8.3626 122.5917 55.5756 32.5418 175.3256 88 F 5.3659 8.9693 118.3118 56.0457 43.6307 175.2868 89 D 4.8830 8.8634 122.1641 51.8793 41.3003 177.0664 90 L 3.9077 8.4081 117.9788 57.7817 41.4984 177.9548 91 N 4.7690 8.3841 113.8983 52.5106 38.5498 174.0760 92 N 4.3869 8.2432 115.4821 55.0879 38.0060 173.9902 93 R 4.6832 8.1099 114.0637 53.4120 33.0384 175.9820 94 F 4.5238 8.1054 119.3873 58.3265 39.2794 176.2135 95 K 4.2681 8.7662 125.0482 56.1433 33.6636 176.3067 96 G 3.7750 9.7401 114.5130 44.5641 0.0000 169.1487 97 E 4.9732 7.9222 115.1059 55.1125 32.7032 174.9623 98 V 4.1319 8.6474 121.6689 62.5227 31.7728 176.0099 99 T 4.1218 8.8494 119.0039 60.8649 69.8546 173.9384 100 P 4.2027 0.0000 0.0000 65.6471 31.2784 178.6837 101 E 3.9095 8.0850 117.7355 59.1801 29.6837 178.4351 102 E 3.9536 8.0698 118.4739 59.5203 29.5712 179.1521 103 Q 4.0503 8.2973 119.3541 59.1692 28.8935 178.1430 104 A 4.0102 7.9887 120.8412 55.2004 18.8110 179.3887 105 I 3.7890 7.8823 118.1138 64.4955 37.1865 178.5681 106 A 4.0506 7.9871 121.5979 55.2499 17.9878 179.6565 107 Q 4.0825 8.0041 115.3734 58.5041 28.8653 177.7882 108 N 4.5574 7.6979 115.4635 53.6097 39.2958 174.7948 109 H 4.2017 7.7261 122.3538 54.9831 30.6126 173.9825 110 P 4.2250 0.0000 0.0000 66.0101 30.9027 178.7023 111 F 4.5165 7.9148 114.9549 60.6145 39.0666 177.1968 112 V 3.9207 8.1692 117.6446 65.7135 30.9577 177.3731 113 Q 3.9866 7.9361 118.1916 58.8940 28.2886 178.4523 114 Q 3.8777 8.1178 118.7964 59.7801 28.5330 178.6138 115 A 4.2216 7.4681 121.3539 54.2952 18.7584 177.1821 116 L 4.0305 7.8518 121.3237 56.5477 40.7109 174.2654 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 T 8.03 4.32 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 1.26 0.00 0.00 3 Q 8.52 3.92 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 4 E 8.02 3.98 0.00 2.07 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 0.00 2.37 2.36 0.00 5 T 7.95 4.09 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 6 A 7.89 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 7 L 8.02 3.95 0.00 1.92 1.87 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.16 3.74 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 0.00 0.00 0.00 9 A 8.14 4.03 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 10 A 8.02 3.98 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 11 L 8.30 3.94 0.00 1.69 1.73 0.95 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 12 K 8.06 3.82 0.00 1.93 2.00 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 13 S 8.06 4.09 0.00 3.96 4.04 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 14 A 7.72 3.96 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 15 V 7.91 3.68 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 0.83 0.00 0.00 0.98 0.00 0.00 16 Q 8.23 4.14 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 T 7.61 3.97 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 1.22 0.00 0.00 *19 S 8.02 4.37 0.00 3.95 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 20 K 8.20 4.01 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.59 7.81 21 K 8.08 3.83 0.00 1.91 1.86 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 K 7.90 3.94 0.00 1.77 1.97 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.57 7.81 23 Q 7.96 4.09 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 24 T 8.44 4.00 4.40 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 1.19 0.00 0.00 25 E 8.04 4.30 0.00 2.14 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 2.60 0.00 *27 I 7.81 3.21 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.10 0.62 0.00 0.00 28 A 8.10 3.78 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 29 D 8.21 4.40 0.00 2.84 2.78 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 30 H 8.03 4.17 0.00 3.30 3.39 0.00 5.87 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 31 I 7.78 3.65 1.32 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.28 -0.47 0.00 0.00 32 Y 7.91 4.33 0.00 3.01 2.96 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 33 G 7.51 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 34 K 7.54 4.15 0.00 1.38 1.28 0.00 1.41 0.00 0.00 0.78 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 1.01 7.81 35 Y 7.41 4.75 0.00 3.29 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 36 D 8.92 4.49 0.00 2.77 2.75 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 37 V 7.93 3.63 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 1.16 0.00 0.00 1.00 0.00 0.00 38 F 8.20 3.75 0.00 3.13 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 0.00 39 K 8.04 4.23 0.00 1.94 2.09 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.59 7.81 40 R 7.91 4.58 0.00 2.00 1.94 0.00 3.40 0.00 0.00 3.40 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 41 F 7.66 3.80 0.00 3.27 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 42 K 7.59 4.43 0.00 1.35 1.34 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 1.24 7.81 43 P 0.00 4.34 0.00 2.17 1.95 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 44 L 8.70 5.12 0.00 1.55 1.50 0.15 0.28 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 45 A 8.88 4.07 1.30 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 0.00 0.00 0.00 46 L 8.47 3.96 0.00 1.65 1.63 0.92 0.96 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 47 G 8.94 4.40 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 48 I 7.49 3.84 2.01 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 1.61 0.96 0.91 0.00 0.00 49 D 8.15 4.32 0.00 2.94 2.93 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 50 Q 8.18 3.99 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 51 D 7.67 4.36 0.00 2.87 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 52 L 8.33 3.87 0.00 2.00 1.65 0.63 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.00 3.73 2.01 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 1.46 0.80 0.92 0.00 0.00 54 A 7.95 4.12 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 55 A 7.99 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 5.23 0.00 1.90 1.77 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.40 0.00 2.14 2.17 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 58 Q 7.85 4.01 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.58 0.00 59 Y 7.19 5.16 0.00 2.97 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 60 D 9.32 4.41 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 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 62 A 8.12 4.00 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 63 L 7.94 4.12 0.00 1.66 1.68 0.92 1.17 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 64 I 7.72 3.57 2.03 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 1.41 0.98 0.87 0.00 0.00 65 A 7.92 4.01 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 66 R 7.65 3.81 0.00 1.86 2.09 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 67 V 7.97 3.55 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 0.74 0.00 0.00 0.89 0.00 0.00 68 L 8.06 3.96 0.00 1.82 1.80 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.01 4.03 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 70 N 8.45 4.46 0.00 2.97 2.96 0.00 0.00 6.63 8.68 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 71 H 8.37 4.27 0.00 3.35 3.53 0.00 5.78 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 72 C 7.92 3.65 0.00 2.93 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 73 R 7.58 4.37 0.00 2.01 2.17 0.00 3.34 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 74 R 7.53 4.19 0.00 2.29 1.91 0.00 3.44 0.00 0.00 3.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.05 0.00 75 P 0.00 4.42 0.00 1.93 1.81 0.00 3.54 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.45 0.00 76 R 7.76 3.69 0.00 0.69 0.85 0.00 2.76 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.28 0.00 77 Y 7.84 4.21 0.00 3.40 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 78 L 8.17 3.98 0.00 1.91 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.35 4.03 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.70 7.81 80 A 7.71 3.96 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.60 3.82 0.00 1.68 1.66 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.70 4.11 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 83 R 7.75 3.96 0.00 1.82 2.14 0.00 3.32 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 84 G 8.07 3.70 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 0.00 0.00 0.00 85 G 8.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.25 0.00 1.01 0.95 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.71 0.21 7.81 87 R 8.36 4.82 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 88 F 8.97 5.37 0.00 2.91 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 89 D 8.86 4.88 0.00 2.92 2.86 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 90 L 8.41 3.91 0.00 1.62 1.64 0.64 0.43 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 91 N 8.38 4.77 0.00 2.85 2.88 0.00 0.00 6.86 8.00 0.00 0.00 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 N 8.24 4.39 0.00 2.91 2.94 0.00 0.00 6.91 7.16 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 93 R 8.11 4.68 0.00 2.24 1.76 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 94 F 8.11 4.52 0.00 2.90 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 0.00 95 K 8.77 4.27 0.00 1.68 1.68 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 96 G 9.74 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 0.00 0.00 0.00 0.00 97 E 7.92 4.97 0.00 2.01 1.75 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 2.12 2.17 0.00 98 V 8.65 4.13 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 0.78 0.00 0.00 0.90 0.00 0.00 99 T 8.85 4.12 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 1.19 0.00 0.00 100 P 0.00 4.20 0.00 2.16 2.12 0.00 3.58 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 2.09 2.12 0.00 101 E 8.08 3.91 0.00 2.07 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 2.37 2.46 0.00 102 E 8.07 3.95 0.00 2.24 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 2.32 0.00 103 Q 8.30 4.05 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 104 A 7.99 4.01 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 0.00 105 I 7.88 3.79 1.99 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 1.45 1.18 0.92 0.00 0.00 106 A 7.99 4.05 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 0.00 107 Q 8.00 4.08 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 108 N 7.70 4.56 0.00 2.88 2.84 0.00 0.00 6.93 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 0.00 109 H 7.73 4.20 0.00 3.17 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.23 0.00 1.99 2.04 0.00 2.86 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 111 F 7.91 4.52 0.00 3.01 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 0.00 112 V 8.17 3.92 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 1.05 0.00 0.00 0.97 0.00 0.00 113 Q 7.94 3.99 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 114 Q 8.12 3.88 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.09 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 115 A 7.47 4.22 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 0.00 116 L 7.85 4.03 0.00 1.70 1.57 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.