NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7325 8.2833 118.0786 53.4660 40.5746 172.7838 3 T 5.0032 8.1046 117.3010 61.7043 72.7848 171.6357 4 Y 4.8390 9.7636 121.0256 56.8482 42.7865 174.2861 5 S 5.9376 8.8525 119.5685 56.2500 65.8936 173.2953 6 I 4.6454 8.1238 122.1255 59.9187 41.8122 173.4945 7 T 5.1032 8.4573 123.2279 61.9162 71.1656 173.2337 8 L 4.9655 8.9658 126.8973 50.6133 45.6419 175.7597 9 P 4.8597 0.0000 0.0000 62.5504 32.9237 177.9251 10 W 5.1312 8.7488 127.8755 54.7032 33.1070 172.1686 11 P 4.5416 0.0000 0.0000 61.3724 31.7841 174.1129 12 P 4.3683 0.0000 0.0000 63.5926 32.0802 177.1919 13 S 4.4011 8.8303 117.0465 58.0680 63.0999 175.2905 14 N 4.0121 8.3291 122.9179 56.3147 39.3900 175.2874 15 N 4.8862 8.2445 116.2403 53.6921 37.9330 176.2956 16 R 4.4035 8.5679 118.3876 59.3670 30.7420 181.2269 17 Y 3.9776 7.5978 118.6188 60.0035 39.1501 175.8732 18 Y 4.8839 7.7618 117.5814 57.2346 40.0290 175.1261 19 R 4.3756 8.0039 118.0563 58.2316 31.7868 177.4249 *25 T 4.7732 7.1732 115.9293 63.9734 69.0500 173.0940 26 H 4.8214 7.7963 122.5836 54.1464 32.0855 174.8448 27 V 4.5463 8.2586 122.1367 63.7177 33.1003 175.4580 28 S 4.4393 8.8089 110.6049 56.7879 65.7109 176.1177 29 A 3.6182 8.4137 121.1359 54.7532 18.5023 179.4817 30 E 3.8831 8.0427 116.8434 59.6845 30.2432 179.9926 31 G 2.3366 7.3162 104.7852 46.8126 0.0000 175.5514 32 Q 3.7588 8.9784 122.5376 59.0268 28.9894 177.9435 33 A 4.0568 7.9001 121.3906 55.4625 18.5363 178.6204 *34 Y 3.9511 7.5595 117.9607 60.3010 38.5877 177.5372 35 R 3.8390 7.7258 118.4868 59.5577 30.2064 178.1181 36 D 4.3986 8.2048 117.8318 57.9821 40.6734 179.0835 37 N 3.8654 7.8422 114.4490 55.7689 38.7455 177.2042 38 V 3.6838 7.6393 120.0936 65.2614 31.8349 177.2105 39 A 4.0635 8.3734 120.6048 55.4693 18.3006 179.4424 40 R 3.8159 8.8216 117.4955 60.0928 30.3597 179.1481 41 I 3.9738 8.4332 121.2686 64.2490 36.9737 178.8047 42 I 3.9783 7.5604 120.2304 63.8923 35.4478 182.7121 43 K 5.2669 7.8101 118.9434 59.3363 31.7064 178.2028 44 N 4.5467 8.1920 116.8538 55.6323 38.3953 176.8139 45 A 3.8314 8.0245 123.6938 52.6429 20.0421 175.8304 46 M 3.3018 7.3815 116.1563 55.9628 30.1036 175.9683 47 L 4.8849 10.8200 118.0034 54.0621 44.8374 177.2115 48 D 4.8682 8.2366 118.3576 53.9216 36.8690 174.8311 49 I 4.3218 7.0016 110.7820 58.7328 40.9699 175.4599 50 G 3.9421 7.7134 110.4187 44.1711 0.0000 172.5145 51 L 4.0630 7.1571 121.1869 56.0628 41.6047 178.3662 52 A 4.5818 8.1748 120.6942 52.2655 20.7700 176.7725 53 M 4.3292 7.6731 112.6754 53.8570 32.4996 174.0573 54 P 4.7510 0.0000 0.0000 62.3446 32.9443 176.0213 55 V 4.8685 7.9860 113.0074 59.8675 36.6086 173.7056 56 K 5.0471 8.7501 124.2792 54.8169 34.6592 174.6715 57 I 5.1625 8.7709 128.1939 59.6381 40.2579 174.3855 58 R 4.9944 9.0914 127.8746 55.0542 31.9665 174.8665 59 I 4.6355 9.1290 127.4959 59.6175 39.7746 174.5588 60 E 5.0197 8.9889 128.4162 56.0393 30.1330 175.7388 61 C 4.8052 9.5070 123.7793 58.9084 30.1008 172.9971 62 H 5.4473 10.0612 124.2118 53.5488 28.6991 174.7111 63 M 4.3311 8.6198 123.2499 55.0308 32.9681 175.3742 64 P 4.5098 0.0000 0.0000 62.3263 32.2926 175.7955 65 D 4.2874 6.3543 115.4649 54.3850 42.7835 176.5009 66 R 4.4936 8.5662 121.5674 56.8286 31.2894 176.7532 67 R 4.0289 8.1752 119.3843 56.5371 29.8678 181.9588 68 R 4.2391 8.3960 117.8161 56.5795 29.6521 177.4758 69 R 4.7656 8.2477 121.5277 53.3922 34.3173 174.7150 70 N 4.6636 8.6256 118.7326 52.3972 39.0300 175.5389 71 L 3.9225 8.8388 124.4730 58.3742 41.7506 179.3232 72 D 4.3530 8.1526 118.1285 56.7387 38.9775 178.9310 73 N 4.2016 8.1394 117.8505 56.2176 38.5207 177.2314 74 L 3.6210 7.8063 120.3991 57.6604 41.6664 179.1740 75 Q 3.5276 7.9850 121.3603 59.8647 28.9366 179.4169 76 K 3.9136 7.7989 124.1038 59.2106 31.6481 180.9282 77 A 3.7582 7.8589 120.7595 55.4008 18.2458 179.1473 78 A 3.8462 8.5557 119.9880 55.1569 18.4167 179.4463 79 F 4.5228 8.3733 115.2150 61.0526 39.3397 177.4298 80 D 4.4464 8.1116 116.4761 57.6513 40.8697 178.4047 81 A 4.0067 8.1695 120.7441 55.1688 18.5423 179.3231 82 L 3.7099 8.0013 117.5900 58.2537 41.4021 179.6256 83 T 4.0053 7.5452 114.3074 67.0179 68.8247 176.3391 84 K 4.1904 7.9259 119.2161 59.3401 31.9276 179.2307 85 A 4.1698 8.3905 116.5395 51.9129 17.6371 177.2610 86 G 3.9426 8.0797 106.8572 47.3861 0.0000 176.5420 87 F 4.4618 8.3239 122.6224 58.3771 39.7261 175.1440 88 W 5.0666 7.0687 114.3074 54.0941 30.6611 175.4261 89 L 4.2166 8.0872 117.8243 56.9234 41.5672 177.0505 90 D 4.9283 8.6673 117.5697 51.9784 44.3648 176.1257 91 D 3.6677 8.2455 124.1095 54.8565 39.5246 178.1244 92 A 3.8754 8.1602 122.6183 55.3957 18.4756 178.6505 93 Q 3.8211 7.9742 115.1083 58.5913 28.9213 177.1628 94 V 3.6787 6.6925 117.7117 62.6668 31.6934 175.7004 95 V 4.4566 8.1132 118.8297 61.0554 34.5523 175.4060 96 D 4.8626 8.0655 120.1222 52.5919 44.3355 173.5330 97 Y 6.0883 8.4286 123.4145 54.3405 40.9455 174.6803 98 R 4.2913 8.8086 124.4376 55.5213 31.8074 174.7134 99 V 4.8671 8.3856 125.8302 61.3312 33.7310 174.9050 100 V 4.4589 9.4717 127.6171 60.9320 34.9363 173.9764 101 K 4.4745 8.8560 129.6113 56.5148 32.7824 175.5439 102 M 4.7112 9.8200 127.3877 53.1629 34.6409 173.4740 103 P 4.1760 0.0000 0.0000 58.1490 33.7531 175.4186 104 V 4.2927 7.9107 120.0869 62.9066 33.0143 175.4510 105 T 4.4004 9.0454 121.8612 61.8512 71.0970 173.0652 106 K 3.8996 8.5842 131.3685 56.9453 31.7550 171.4901 107 G 4.1461 8.8544 118.7186 44.7316 0.0000 174.1084 108 G 3.8474 8.6517 109.0429 46.0435 0.0000 173.5220 109 R 5.0654 9.1766 121.0677 54.9838 34.3174 173.4825 110 L 5.3897 8.8071 122.3427 52.5937 44.9451 175.5490 111 E 5.1335 9.0397 121.8931 54.7443 33.8641 174.2862 112 L 5.3789 9.2511 124.7769 53.1998 45.1657 175.5029 113 T 5.1376 8.7613 120.5181 61.9604 71.1462 173.3215 114 I 5.7618 9.2172 127.5836 58.8882 40.9683 174.7549 115 T 5.2005 8.6232 123.4906 61.2379 71.2930 173.0637 116 E 4.2417 8.4080 122.7929 57.4222 29.8186 178.1897 117 M 4.2060 9.1668 126.9557 55.3492 30.2992 176.9835 118 G 4.2001 7.1538 110.5078 44.5476 0.0000 172.5806 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 N 8.28 4.73 0.00 3.21 2.55 0.00 0.00 6.78 6.17 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 3 T 8.10 5.00 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 1.32 0.00 0.00 4 Y 9.76 4.84 0.00 3.16 2.95 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 5 S 8.85 5.94 0.00 3.75 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 6 I 8.12 4.65 1.75 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 1.17 1.16 0.71 0.00 0.00 7 T 8.46 5.10 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 1.32 0.00 0.00 8 L 8.97 4.97 0.00 1.46 1.45 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.86 0.00 2.14 1.56 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 10 W 8.75 5.13 0.00 3.61 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 11 P 0.00 4.54 0.00 2.17 1.93 0.00 2.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 12 P 0.00 4.37 0.00 2.24 2.06 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 13 S 8.83 4.40 0.00 3.65 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 14 N 8.33 4.01 0.00 2.81 2.92 0.00 0.00 6.91 6.71 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 15 N 8.24 4.89 0.00 2.95 2.96 0.00 0.00 5.80 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 16 R 8.57 4.40 0.00 1.79 1.86 0.00 3.30 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 17 Y 7.60 3.98 0.00 2.88 2.70 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 18 Y 7.76 4.88 0.00 3.11 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 19 R 8.00 4.38 0.00 1.66 1.82 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 *25 T 7.17 4.77 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 1.13 0.00 0.00 26 H 7.80 4.82 0.00 3.16 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.26 4.55 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 0.78 0.00 0.00 1.00 0.00 0.00 28 S 8.81 4.44 0.00 3.88 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 29 A 8.41 3.62 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 30 E 8.04 3.88 0.00 1.84 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 2.29 2.36 0.00 31 G 7.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.98 3.76 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 33 A 7.90 4.06 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 *34 Y 7.56 3.95 0.00 2.49 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 35 R 7.73 3.84 0.00 2.03 1.98 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 36 D 8.20 4.40 0.00 2.86 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 37 N 7.84 3.87 0.00 2.78 2.86 0.00 0.00 7.12 7.84 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 38 V 7.64 3.68 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 0.75 0.00 0.00 0.88 0.00 0.00 39 A 8.37 4.06 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 40 R 8.82 3.82 0.00 1.97 2.00 0.00 3.24 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 41 I 8.43 3.97 1.83 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 1.33 1.34 0.89 0.00 0.00 42 I 7.56 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 1.64 0.73 0.91 0.00 0.00 43 K 7.81 5.27 0.00 2.12 1.87 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.20 7.81 44 N 8.19 4.55 0.00 2.77 2.78 0.00 0.00 6.81 6.86 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 45 A 8.02 3.83 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 46 M 7.38 3.30 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 47 L 10.82 4.88 0.00 1.89 1.85 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.24 4.87 0.00 2.82 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 49 I 7.00 4.32 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.88 0.00 0.00 50 G 7.71 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 51 L 7.16 4.06 0.00 1.78 1.71 0.57 0.21 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 52 A 8.17 4.58 1.23 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 0.00 0.00 53 M 7.67 4.33 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 54 P 0.00 4.75 0.00 2.05 1.94 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.90 0.00 55 V 7.99 4.87 2.12 0.00 0.00 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 0.60 0.00 0.00 56 K 8.75 5.05 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.82 7.81 57 I 8.77 5.16 2.23 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 1.44 0.63 1.25 0.00 0.00 58 R 9.09 4.99 0.00 1.96 1.87 0.00 3.10 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 59 I 9.13 4.64 1.91 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 1.35 0.97 0.89 0.00 0.00 60 E 8.99 5.02 0.00 2.07 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 2.37 2.51 0.00 61 C 9.51 4.81 0.00 2.92 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 62 H 10.06 5.45 0.00 3.31 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.62 4.33 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 64 P 0.00 4.51 0.00 1.65 1.25 0.00 3.37 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 65 D 6.35 4.29 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.49 0.00 1.75 1.93 0.00 3.20 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 67 R 8.18 4.03 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 68 R 8.40 4.24 0.00 1.82 1.77 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 69 R 8.25 4.77 0.00 1.88 1.94 0.00 3.34 0.00 0.00 3.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 70 N 8.63 4.66 0.00 2.79 3.14 0.00 0.00 7.00 6.74 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 71 L 8.84 3.92 0.00 1.68 1.73 0.94 1.04 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 72 D 8.15 4.35 0.00 2.85 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 73 N 8.14 4.20 0.00 3.08 2.83 0.00 0.00 6.88 6.36 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 74 L 7.81 3.62 0.00 1.42 1.28 0.41 0.09 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 75 Q 7.98 3.53 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 76 K 7.80 3.91 0.00 1.83 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 77 A 7.86 3.76 1.11 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 78 A 8.56 3.85 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 79 F 8.37 4.52 0.00 3.14 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 D 8.11 4.45 0.00 3.02 2.95 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 81 A 8.17 4.01 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 82 L 8.00 3.71 0.00 1.25 0.61 0.25 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.55 4.01 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 84 K 7.93 4.19 0.00 2.08 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.64 7.81 85 A 8.39 4.17 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 86 G 8.08 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 87 F 8.32 4.46 0.00 2.94 2.84 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 88 W 7.07 5.07 0.00 3.23 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 89 L 8.09 4.22 0.00 2.01 1.76 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.67 4.93 0.00 2.67 2.36 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 91 D 8.25 3.67 0.00 2.77 3.11 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 92 A 8.16 3.88 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 93 Q 7.97 3.82 0.00 1.54 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.11 0.00 94 V 6.69 3.68 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.29 0.00 0.00 95 V 8.11 4.46 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 0.69 0.00 0.00 0.98 0.00 0.00 96 D 8.07 4.86 0.00 2.68 2.50 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 97 Y 8.43 6.09 0.00 3.28 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 98 R 8.81 4.29 0.00 1.96 1.88 0.00 3.14 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 99 V 8.39 4.87 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 0.83 0.00 0.00 0.99 0.00 0.00 100 V 9.47 4.46 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 0.90 0.00 0.00 0.96 0.00 0.00 101 K 8.86 4.47 0.00 1.84 1.72 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.51 7.81 102 M 9.82 4.71 0.00 1.57 1.56 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 2.60 2.57 0.00 103 P 0.00 4.18 0.00 2.06 1.95 0.00 3.63 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 2.02 2.13 0.00 104 V 7.91 4.29 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 0.71 0.00 0.00 0.92 0.00 0.00 105 T 9.05 4.40 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 1.24 0.00 0.00 106 K 8.58 3.90 0.00 1.58 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.08 7.81 107 G 8.85 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.65 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 0.00 109 R 9.18 5.07 0.00 1.42 1.72 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 110 L 8.81 5.39 0.00 1.67 1.53 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.04 5.13 0.00 1.96 1.83 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 2.22 2.27 0.00 112 L 9.25 5.38 0.00 1.47 1.58 1.03 0.47 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 0.00 113 T 8.76 5.14 4.33 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 1.29 0.00 0.00 114 I 9.22 5.76 2.20 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 1.23 0.00 0.00 115 T 8.62 5.20 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 1.32 0.00 0.00 116 E 8.41 4.24 0.00 2.02 2.06 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 2.65 2.67 0.00 117 M 9.17 4.21 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 118 G 7.15 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.