NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 P 4.4905 0.0000 0.0000 62.6161 33.2632 176.0897 -3 N 4.1076 8.9406 125.9392 53.3448 36.7862 177.8698 -2 S 3.1969 9.5400 124.9119 60.2690 63.5880 172.9603 -1 L 3.9763 8.5706 117.2586 59.2486 40.4471 173.8843 -3 M 3.8476 8.8205 126.8392 55.6448 30.7862 178.9698 -2 T 3.0769 9.3800 122.8119 63.7690 69.5880 173.0602 -1 N 4.3763 8.8106 114.1586 57.2486 36.9471 171.4843 4 R 4.7574 8.5012 123.1510 53.6465 33.7165 174.5719 5 L 4.6540 9.3827 126.7737 53.2644 44.9584 175.4052 6 V 4.8426 8.3593 125.1258 60.9644 32.4267 173.7717 7 L 4.7857 8.6222 128.7316 53.1495 44.3961 175.0327 8 S 5.1143 9.5070 117.1834 55.8999 66.7454 174.2902 9 G 3.8354 6.9352 107.0017 45.7420 0.0000 170.5472 10 T 4.8870 7.6745 117.2976 61.4068 70.7420 174.2865 11 V 3.4827 8.7054 127.7628 64.1815 31.9618 175.1502 12 C 4.5071 9.3983 132.1944 60.1680 30.8159 175.9740 13 R 4.3958 8.0547 117.8173 54.8745 32.6697 177.9683 14 A 3.4208 8.2833 120.4281 52.9324 16.9705 174.9774 15 P 4.8594 0.0000 0.0000 63.6461 32.7929 176.4365 16 L 4.4156 9.1719 124.3514 53.7533 43.0499 175.7037 17 R 4.9296 8.6437 125.7392 54.7514 30.6942 174.8935 18 K 4.8668 9.4319 128.1866 54.4033 36.2542 174.9931 19 V 4.6481 8.3516 123.5537 59.9757 33.3687 175.4437 20 S 4.7848 8.4148 120.0870 56.1088 64.5318 173.6795 21 P 4.2449 0.0000 0.0000 64.6860 31.5664 177.0324 22 S 4.5192 7.8365 113.3661 57.8021 63.9522 174.0498 23 G 4.0441 8.6275 114.2486 46.8047 0.0000 175.7418 24 I 3.9830 7.6750 117.1726 58.6606 36.7094 175.1014 25 P 4.9000 0.0000 0.0000 62.5949 33.0020 174.9845 26 H 5.2939 10.6330 119.5578 54.1214 33.0213 171.9923 27 C 5.2496 9.0813 122.6815 57.7098 34.3172 172.2123 28 Q 5.1452 9.2398 128.2091 54.5113 32.0346 174.1864 29 F 5.2387 8.3656 119.5970 56.1154 42.2313 172.6594 30 V 4.6377 8.5529 117.3690 59.8277 34.2577 174.1038 31 L 4.8343 8.4674 126.6410 53.3941 44.3077 174.4449 32 E 4.7992 8.7303 127.3138 55.0042 31.3015 174.1045 33 H 5.0287 8.8191 128.0572 55.4252 32.1822 174.1025 34 R 5.1528 7.6014 121.9244 55.9117 32.7364 173.7419 35 S 4.6394 9.2778 120.2395 57.8671 67.0163 173.7663 36 V 4.9764 7.9480 119.8594 61.3364 34.0514 174.1762 37 Q 4.4818 8.6738 124.2269 55.9054 32.4413 170.4964 38 E 4.9439 9.9009 118.1616 55.4795 32.2486 175.6439 39 E 2.9519 7.7776 113.9136 55.3316 31.1857 175.9536 40 A 4.1675 8.2536 120.2162 54.0503 19.1872 178.9082 41 G 4.2700 8.2864 104.4674 44.2581 0.0000 171.8921 42 F 4.7999 8.3087 118.5381 55.8262 40.2908 175.3313 43 H 4.6772 8.8030 123.3134 54.8971 29.1686 174.4413 44 R 4.8117 8.5612 124.9425 54.4608 33.2758 174.0379 45 Q 5.1828 8.7452 124.0977 54.3047 32.0007 174.3090 46 A 5.0621 9.8158 126.5802 49.9240 22.2135 175.1129 47 W 5.9480 8.3520 117.8679 54.7355 31.6192 173.9321 48 C 3.4198 7.1931 118.2020 58.8271 34.2450 172.5588 49 Q 5.1530 7.8115 125.7084 53.7361 28.6785 173.2475 50 M 4.1418 7.9694 123.0224 53.8381 33.6163 173.2025 51 P 4.6161 0.0000 0.0000 62.7722 32.7312 175.6081 52 V 4.5068 8.6251 124.5127 60.8076 34.6019 173.9956 53 I 4.7092 8.1494 126.2464 59.0388 41.6488 174.3024 54 V 4.5408 9.0021 128.7404 61.3512 33.4787 173.5527 55 S 4.9745 8.3977 122.8918 57.2000 63.7923 173.3905 56 G 4.1279 8.3565 113.4999 44.6376 0.0000 173.7736 57 H 4.1904 9.0157 116.7044 58.7143 29.1324 177.5308 58 E 3.9345 8.4475 118.7365 59.2662 29.1084 177.3767 59 N 4.7249 7.9886 113.0749 53.4981 37.9835 176.2474 60 Q 3.8234 7.8659 119.7161 57.6145 28.8734 176.8310 61 A 4.0479 7.0964 124.3127 55.1894 18.8789 179.8078 62 I 3.7459 7.7305 116.4113 62.5609 36.2120 179.6711 63 T 3.9277 7.8515 113.1239 66.1088 67.1546 175.8276 64 H 4.2573 7.2281 113.0684 57.1405 28.7004 175.5604 65 S 4.5915 8.9365 114.8835 57.6330 63.7553 173.6714 66 I 4.2807 7.4391 113.2151 59.8443 39.0556 174.7583 67 T 4.5977 7.7969 119.0565 60.9872 72.6927 173.0567 68 V 3.8572 8.2334 121.6732 65.2030 31.5118 175.6420 69 G 4.0087 9.1870 116.0392 45.1576 0.0000 173.7604 70 S 4.2543 8.4228 116.3749 58.4640 63.3759 173.0953 71 R 5.1257 8.5581 123.9498 54.9447 31.4340 175.2545 72 I 4.6855 8.3656 114.8054 60.2857 41.9681 173.2804 73 T 5.0415 9.1782 119.3809 61.7062 71.9177 173.8264 74 V 4.9671 9.2259 124.5024 59.9486 35.3656 174.1456 75 Q 4.9195 8.9945 123.2911 54.3437 32.4340 175.1258 76 G 4.4778 8.3852 112.1860 46.7016 0.0000 171.2295 77 F 5.2576 7.9788 113.3602 55.3041 40.8728 174.6110 78 I 4.8009 8.4419 121.2449 60.1740 38.5972 174.8710 79 S 4.9408 8.9432 120.8518 56.6959 66.6156 172.6041 80 C 5.4100 8.3455 118.6265 57.9827 30.9729 173.8796 81 H 4.7392 8.6873 121.5821 54.0029 31.0591 174.9152 82 K 5.1900 8.8491 118.4639 56.6336 32.6643 176.9892 83 A 4.9401 7.6686 124.5951 51.5146 20.6418 176.7609 84 K 4.3909 8.4618 117.1960 56.6368 32.4733 176.5520 85 N 4.6397 7.4388 117.3310 54.3762 43.9908 174.6694 86 G 3.6606 8.6039 111.8076 44.5558 0.0000 173.5674 87 L 3.4936 8.0924 121.3136 56.9178 41.3134 172.9815 88 S 5.2312 8.1620 111.9180 57.1242 65.0204 174.3465 89 K 4.6040 9.5106 126.9233 54.8618 34.6066 174.3015 90 M 5.2177 8.4413 124.2252 53.9404 34.8717 175.3065 91 V 4.5536 8.3681 117.7833 59.7636 36.7418 173.6196 92 L 4.6130 8.5896 127.9239 54.3462 43.6677 174.9740 93 H 4.8078 8.9703 124.7306 54.2163 29.7519 174.4991 94 A 4.5741 8.4256 127.0179 52.0347 18.6025 176.8576 95 E 4.5761 9.3633 121.7445 56.2526 31.6993 175.6568 96 Q 4.7370 7.6142 119.3023 55.3585 32.4536 172.9754 97 I 5.0080 8.4205 126.6108 59.9376 40.8726 174.9659 98 E 4.4433 8.6229 124.0163 55.5401 33.0947 174.2908 99 L 4.6457 8.6083 128.8401 53.8521 41.8803 177.6538 100 I 4.0897 8.2456 121.1167 62.9995 37.5670 178.3103 101 D 4.3876 7.9191 123.8679 58.7910 39.8040 183.6995 102 S 4.6012 8.0820 115.8869 60.5174 62.7574 177.0570 103 V 3.5201 7.5095 121.1849 66.0342 31.3992 177.3987 104 D 4.4045 8.2044 121.0150 58.1518 40.9116 179.5912 105 K 3.8583 8.4689 124.3790 59.6316 31.1929 180.1364 106 L 4.4338 7.8705 119.1820 57.3590 42.2103 178.5900 107 A 4.1849 8.1403 120.9062 54.6628 18.2060 179.5276 108 A 3.8900 8.3131 119.4285 55.3903 18.4010 179.7301 109 A 4.0759 7.5442 118.6189 55.0367 18.3671 179.9832 110 L 4.0642 6.9218 120.5731 59.1660 41.5754 184.2135 111 E 4.3315 7.9144 118.1817 58.2394 29.2902 177.4495 112 H 5.0086 8.3412 115.9103 55.7799 30.2520 174.2350 113 H 4.7019 8.8481 113.4960 60.8229 27.1215 176.8180 114 H 2.9319 6.5401 116.3316 58.5207 33.6440 174.0352 *115 H 4.5430 7.9603 120.3472 54.7842 28.5027 175.3541 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 -4 P 0.00 4.49 0.00 2.01 2.05 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 -3 N 8.94 4.11 0.00 2.78 2.26 0.00 0.00 7.30 6.68 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 -2 S 9.54 3.20 0.00 3.70 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 -1 L 8.57 3.98 0.00 1.65 1.64 0.92 0.76 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 -3 M 8.82 3.85 0.00 2.06 1.52 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 -2 T 9.38 3.08 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 -1 N 8.81 4.38 0.00 2.86 2.77 0.00 0.00 6.53 7.66 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 4 R 8.50 4.76 0.00 1.64 1.85 0.00 3.31 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 5 L 9.38 4.65 0.00 1.60 1.46 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.36 4.84 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 0.90 0.00 0.00 0.93 0.00 0.00 7 L 8.62 4.79 0.00 1.78 1.46 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.51 5.11 0.00 3.98 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 9 G 6.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.67 4.89 4.27 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 1.24 0.00 0.00 11 V 8.71 3.48 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 0.85 0.00 0.00 0.80 0.00 0.00 12 C 9.40 4.51 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.40 0.00 1.98 1.98 0.00 3.26 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 14 A 8.28 3.42 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 15 P 0.00 4.86 0.00 2.12 1.90 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 16 L 9.17 4.42 0.00 1.65 1.66 1.02 0.66 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 17 R 8.64 4.93 0.00 1.82 1.87 0.00 3.20 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 18 K 9.43 4.87 0.00 1.83 1.60 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.40 7.81 19 V 8.35 4.65 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 0.82 0.00 0.00 0.94 0.00 0.00 20 S 8.41 4.78 0.00 4.04 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.24 0.00 2.04 2.15 0.00 3.68 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 2.05 2.16 0.00 22 S 7.84 4.52 0.00 3.90 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 23 G 8.63 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 0.00 0.00 0.00 24 I 7.68 3.98 1.87 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 1.41 0.70 0.91 0.00 0.00 25 P 0.00 4.90 0.00 1.95 1.89 0.00 3.19 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 26 H 10.63 5.29 0.00 3.12 3.11 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.08 5.25 0.00 3.29 2.85 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 28 Q 9.24 5.15 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.26 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 29 F 8.37 5.24 0.00 3.10 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 V 8.55 4.64 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 0.90 0.00 0.00 31 L 8.47 4.83 0.00 1.94 1.55 1.03 0.50 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 32 E 8.73 4.80 0.00 2.16 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 2.34 2.37 0.00 33 H 8.82 5.03 0.00 3.34 3.15 0.00 5.87 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 34 R 7.60 5.15 0.00 1.88 1.75 0.00 3.46 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 35 S 9.28 4.64 0.00 3.88 3.88 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 36 V 7.95 4.98 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 37 Q 8.67 4.48 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 38 E 9.90 4.94 0.00 1.98 1.88 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 1.94 2.01 0.00 39 E 7.78 2.95 0.00 2.06 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 2.21 1.93 0.00 40 A 8.25 4.17 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 41 G 8.29 4.27 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 0.00 42 F 8.31 4.80 0.00 3.11 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 43 H 8.80 4.68 0.00 3.17 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.56 4.81 0.00 1.95 1.93 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 45 Q 8.75 5.18 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 46 A 9.82 5.06 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 47 W 8.35 5.95 0.00 3.44 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 48 C 7.19 3.42 0.00 2.63 2.46 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 49 Q 7.81 5.15 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.17 1.41 0.00 50 M 7.97 4.14 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 51 P 0.00 4.62 0.00 2.14 1.86 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 52 V 8.63 4.51 0.67 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 0.41 0.00 0.00 0.68 0.00 0.00 53 I 8.15 4.71 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.39 0.51 0.00 0.00 54 V 9.00 4.54 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 0.93 0.00 0.00 1.07 0.00 0.00 55 S 8.40 4.97 0.00 3.99 3.78 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 56 G 8.36 4.13 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 0.00 0.00 0.00 57 H 9.02 4.19 0.00 3.21 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.45 3.93 0.00 1.95 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 2.32 2.39 0.00 59 N 7.99 4.72 0.00 2.83 2.84 0.00 0.00 6.72 7.74 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 60 Q 7.87 3.82 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 61 A 7.10 4.05 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 62 I 7.73 3.75 1.87 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 1.30 0.73 0.91 0.00 0.00 63 T 7.85 3.93 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 1.12 0.00 0.00 64 H 7.23 4.26 0.00 3.16 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.94 4.59 0.00 3.66 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.44 4.28 1.62 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.29 0.74 0.00 0.00 67 T 7.80 4.60 4.20 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 1.18 0.00 0.00 68 V 8.23 3.86 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 0.84 0.00 0.00 1.05 0.00 0.00 69 G 9.19 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.25 0.00 3.82 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 71 R 8.56 5.13 0.00 1.92 2.03 0.00 3.02 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 72 I 8.37 4.69 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.85 0.00 0.00 73 T 9.18 5.04 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 1.27 0.00 0.00 74 V 9.23 4.97 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 0.75 0.00 0.00 0.92 0.00 0.00 75 Q 8.99 4.92 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 76 G 8.39 4.48 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 0.00 77 F 7.98 5.26 0.00 2.99 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 78 I 8.44 4.80 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.92 0.00 0.00 79 S 8.94 4.94 0.00 4.19 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 80 C 8.35 5.41 0.00 2.83 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 81 H 8.69 4.74 0.00 3.13 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.85 5.19 0.00 1.66 1.77 0.00 1.77 0.00 0.00 2.37 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.25 7.81 83 A 7.67 4.94 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 84 K 8.46 4.39 0.00 1.72 1.81 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.35 7.81 85 N 7.44 4.64 0.00 2.79 2.81 0.00 0.00 6.11 7.00 0.00 0.00 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 G 8.60 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 87 L 8.09 3.49 0.00 1.58 1.53 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.16 5.23 0.00 3.86 3.90 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 89 K 9.51 4.60 0.00 1.81 1.69 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81 90 M 8.44 5.22 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 91 V 8.37 4.55 1.85 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 0.55 0.00 0.00 0.93 0.00 0.00 92 L 8.59 4.61 0.00 1.56 1.35 0.79 0.78 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 93 H 8.97 4.81 0.00 1.80 2.77 0.00 5.86 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 94 A 8.43 4.57 1.21 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 0.00 0.00 95 E 9.36 4.58 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 96 Q 7.61 4.74 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 97 I 8.42 5.01 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.94 0.00 0.00 98 E 8.62 4.44 0.00 2.04 1.77 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 2.21 2.29 0.00 99 L 8.61 4.65 0.00 1.73 1.58 0.89 0.69 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 0.00 100 I 8.25 4.09 1.87 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 1.38 0.61 0.92 0.00 0.00 101 D 7.92 4.39 0.00 2.71 2.72 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 0.00 102 S 8.08 4.60 0.00 4.01 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 0.00 103 V 7.51 3.52 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 1.07 0.00 0.00 0.99 0.00 0.00 104 D 8.20 4.40 0.00 2.92 2.71 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 0.00 105 K 8.47 3.86 0.00 1.72 1.84 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 106 L 7.87 4.43 0.00 1.80 1.86 0.90 1.11 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 0.00 107 A 8.14 4.18 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 0.00 108 A 8.31 3.89 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 0.00 109 A 7.54 4.08 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 0.00 110 L 6.92 4.06 0.00 1.85 1.58 0.92 0.89 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 0.00 111 E 7.91 4.33 0.00 1.89 1.80 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 2.44 2.44 0.00 112 H 8.34 5.01 0.00 3.14 3.27 0.00 5.83 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.85 4.70 0.00 3.26 3.51 0.00 5.56 0.00 0.00 0.00 0.00 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 6.54 2.93 0.00 3.19 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 H 7.96 4.54 0.00 2.72 2.86 0.00 5.92 0.00 0.00 0.00 0.00 6.91 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.