NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 K 4.3281 8.3149 122.1535 54.3463 33.3670 175.1123 7 L 4.2571 8.3423 115.0390 55.1576 42.2967 174.6758 8 H 4.9481 8.8504 116.5675 53.9944 32.3338 172.7085 9 K 4.5616 8.5497 122.0733 56.1304 32.9262 176.0318 10 E 4.9326 9.1618 123.6616 53.8037 33.3427 173.9559 11 P 5.0211 0.0000 0.0000 62.9950 32.3565 175.1789 12 A 4.8916 8.4456 122.6555 51.3451 23.1655 175.5433 13 T 4.6251 8.5887 115.1344 61.3180 71.8656 174.0083 14 L 4.2190 8.7244 128.4476 55.9301 42.3962 175.5085 15 I 4.3625 8.3241 126.1449 62.1151 38.7308 175.8144 16 K 4.5597 7.5490 120.4089 55.2913 35.4887 174.1723 17 A 4.5040 8.7229 130.1934 52.2118 19.4563 176.5094 18 I 4.3148 8.1737 121.5226 62.2859 38.8257 175.2439 19 D 4.5039 7.9920 118.0814 52.9639 42.0390 175.4269 20 G 3.9508 9.3713 106.4021 48.2541 0.0000 173.6829 21 D 5.0312 8.1063 116.1985 52.6828 41.5281 175.3187 22 T 5.1506 8.0887 115.1570 62.3804 72.4602 173.3809 23 V 4.8550 8.7561 118.5213 59.4604 36.6063 174.1799 24 K 5.0409 9.2524 125.5355 55.0983 33.9854 175.2140 25 L 5.2883 9.3183 126.3897 53.2341 46.8676 174.8804 26 M 4.9165 9.1480 121.7896 54.8341 33.8199 174.2702 27 Y 4.9654 9.2755 127.4134 56.0043 42.0960 175.4833 28 K 3.6469 9.4499 127.9172 57.4528 29.7520 176.0343 29 G 3.9358 8.2035 104.8177 45.3422 0.0000 172.9608 30 Q 4.6637 7.9913 122.1906 53.6097 31.1738 172.9867 31 P 5.0238 0.0000 0.0000 63.1030 32.1674 175.6678 32 M 4.9017 9.4598 123.2495 54.0139 36.8505 173.9988 33 T 5.0269 8.4329 116.2476 60.8578 70.0830 173.0989 34 F 5.1447 9.3250 125.8291 55.5986 42.6079 173.9830 35 R 5.0579 8.9576 123.3191 54.2184 32.5102 174.9395 36 L 4.3891 8.7204 127.2985 54.5630 41.7755 177.1748 37 L 3.9068 8.6108 124.9189 55.6815 42.8367 177.9833 38 L 4.6116 8.8503 120.0632 55.2008 39.2865 173.9974 39 V 5.1037 7.3723 110.3339 59.6539 35.9188 174.6118 40 D 4.9571 8.9290 121.7934 52.9269 43.9510 174.6185 41 T 4.8324 8.7687 116.3776 59.0849 71.7490 172.5642 42 P 4.1672 0.0000 0.0000 63.5365 31.6581 174.8331 43 E 4.4036 8.9320 123.2773 55.6042 29.8374 176.4153 44 T 4.0326 7.9413 117.5209 62.8043 69.7628 174.1041 45 K 4.4611 7.4197 129.6197 54.4465 34.4658 176.4426 46 H 4.5163 8.1818 120.1767 54.4132 31.8672 173.3941 47 P 4.2844 0.0000 0.0000 65.4039 31.1428 178.1664 48 K 4.5610 7.9670 115.7657 57.0115 31.9410 177.1924 49 K 4.4647 8.4904 116.6576 56.0534 36.8633 176.3129 50 G 3.8256 7.7098 103.4565 43.8225 0.0000 171.9461 51 V 4.8188 7.9703 122.1130 60.5153 33.2115 176.7636 52 E 4.4350 9.1144 128.3134 54.9877 31.5167 175.9076 53 K 4.0206 8.2170 122.9798 58.0677 32.6658 176.7095 54 Y 4.0416 7.9954 122.9905 59.2539 35.8693 170.9028 55 G 3.9846 8.0504 107.5993 47.6740 0.0000 173.8817 56 P 4.3041 0.0000 0.0000 65.0948 31.1832 178.6909 57 E 4.0274 8.1566 116.5158 59.2995 29.6082 178.8802 58 A 4.1247 8.4710 121.2259 55.4267 18.4501 179.8338 59 S 4.1806 8.2163 113.4034 61.6787 62.7976 176.8902 60 A 3.9965 8.2547 123.4991 54.9977 18.0734 179.2070 61 F 3.8187 8.4475 119.1963 61.8742 39.3965 177.3190 62 T 3.9076 8.1744 115.1086 66.5261 68.2284 176.2382 63 K 3.8255 7.9952 121.3538 59.4956 32.1671 178.5636 64 K 3.8212 8.1114 119.7084 59.7293 31.9191 178.3450 65 M 3.8503 7.6775 117.0858 58.7727 32.1502 178.2366 66 V 3.8252 8.0395 112.5173 63.9378 31.5897 178.4298 67 E 4.1005 8.3370 118.1026 58.9999 29.4862 177.6158 68 N 4.5096 8.1590 114.0183 53.9636 39.0687 175.4190 69 A 4.3688 7.3324 121.3251 51.8583 18.9205 177.8321 70 K 4.1741 8.7675 121.4974 58.2337 33.5258 177.2478 71 K 4.5602 8.6018 119.1128 54.6471 35.7368 175.3296 72 I 4.9376 8.3913 125.9229 59.7436 39.6545 174.7052 73 E 5.1418 9.2368 125.0241 54.5546 33.9386 174.6620 74 V 4.4448 8.6943 122.8261 61.0340 34.1767 174.0259 75 E 5.0091 9.0729 128.6563 54.3862 32.0059 175.0559 76 F 4.6591 8.8003 125.6528 57.6010 40.2031 175.5732 77 D 5.0145 8.4697 120.4981 53.4131 43.1261 175.7892 78 K 4.4419 8.5778 116.6273 57.3968 34.0592 177.7178 79 G 4.1904 8.2831 111.0059 44.7252 0.0000 173.5726 80 Q 3.9428 8.7075 122.0160 56.9911 29.2992 177.1863 81 R 4.4068 8.4740 119.5155 56.7115 31.3162 176.2639 82 T 5.5635 7.6839 105.8237 58.4869 71.9984 173.5196 83 D 4.7253 8.1399 122.6195 51.8820 41.8614 176.7246 84 K 3.9091 8.2906 116.9561 59.5625 32.5892 176.9391 85 Y 4.3352 7.9883 115.9763 57.5835 37.9855 176.0381 86 G 3.8850 8.1320 107.7977 45.8350 0.0000 173.9903 87 R 4.3338 8.1050 119.0928 54.8799 31.8951 176.3368 88 G 3.4598 8.4143 110.9683 46.1561 0.0000 172.4094 89 L 5.3183 8.8317 125.2898 53.3819 42.9145 175.6377 90 A 4.4487 8.3771 124.8274 50.9135 23.6412 174.0821 91 Y 4.6902 8.7725 117.6624 57.5034 39.4679 175.1188 92 I 4.7663 8.4538 125.0739 59.6925 39.9338 174.1421 93 Y 5.1103 9.1839 124.3818 56.0289 41.0751 174.5424 94 A 4.8587 9.1399 126.0774 50.1358 21.4526 176.0512 95 D 4.3992 9.9270 124.7080 56.1676 38.9612 175.5885 96 G 3.9501 8.5160 104.9393 45.3973 0.0000 173.6626 97 K 4.5259 7.9481 120.3737 54.7527 33.6874 175.4451 98 M 4.0783 8.5624 123.5391 55.1062 33.1333 177.1348 99 V 3.6635 8.6859 127.3303 66.1284 31.5604 177.7923 100 N 4.3947 8.0058 115.9726 55.9587 38.3995 176.8420 101 E 3.9293 8.0545 120.1048 59.0005 30.1007 177.9722 102 A 4.0557 8.0872 120.9278 55.5546 18.3047 179.7098 103 L 3.4551 7.9229 117.0831 57.7144 41.6267 179.9260 104 V 3.7085 7.4404 118.1406 66.0692 31.2765 178.0230 105 R 4.0038 8.1923 117.6471 59.3488 29.9729 177.7180 106 Q 4.1895 7.6910 115.0022 55.4713 29.2030 176.0069 107 G 3.8436 8.2801 108.9237 47.0203 0.0000 174.5970 108 L 4.6657 7.7967 116.4388 53.7080 42.6952 176.3795 109 A 4.7017 7.5661 118.6982 50.9331 22.1444 176.2475 110 K 4.8015 8.6833 119.4154 54.3976 35.4515 176.0361 111 V 4.3718 8.6472 123.1729 63.0806 32.0848 175.1178 112 A 4.3988 8.6062 128.5043 50.0191 23.2734 174.5555 113 Y 3.4611 7.3939 113.8313 59.1513 35.0029 173.9379 114 V 3.7315 6.8934 118.0625 61.8452 30.8932 172.9306 115 Y 4.6380 7.7623 122.5430 55.3480 38.2538 175.5050 116 K 5.0842 8.9214 125.9683 55.8786 32.7009 174.1100 117 P 4.9223 0.0000 0.0000 63.2561 31.8682 177.0474 118 N 4.8586 8.0848 118.3759 52.3772 37.0203 175.3162 119 N 5.1752 7.6875 114.1564 52.7715 38.6368 177.7332 120 T 3.8570 8.5718 118.6358 67.7277 68.6940 174.9420 121 H 4.8701 8.2317 116.6794 55.7326 29.1717 176.4671 122 E 3.9744 8.3141 123.3646 59.7130 29.3007 179.0687 123 Q 3.9845 8.0245 117.4048 59.0763 28.9118 177.8246 124 H 4.1221 8.2202 118.7263 59.4866 29.9640 177.0861 125 L 3.9687 8.2048 120.8613 57.8609 41.4192 179.7821 126 R 3.9247 8.4969 118.5080 58.9419 30.0798 178.9646 127 K 3.8773 8.1504 119.4766 59.7387 32.1956 179.1293 128 S 4.0998 7.8197 114.9429 61.2709 62.6353 176.2980 129 E 3.8965 8.2429 121.8821 59.2481 29.4494 178.6076 130 A 3.7111 7.8913 120.7613 55.2232 18.3990 179.3711 131 Q 3.8058 7.9135 117.3599 59.2965 29.0537 178.4105 132 A 4.0420 8.1305 121.8331 54.7865 18.2633 179.8860 133 K 3.1696 7.6558 117.2317 59.2554 31.8158 179.3424 134 K 3.7932 7.6012 118.4294 59.4031 32.1518 177.7050 135 E 4.2316 7.9922 115.4875 55.2928 30.4200 176.3275 136 K 4.1663 8.0590 118.0602 56.1997 30.5435 174.9479 137 L 4.6026 8.2717 118.2665 55.2021 44.5864 178.7739 138 N 3.2938 9.3662 118.1052 53.9755 38.4974 176.0371 139 I 3.2994 4.0000 126.9040 64.5077 37.7260 176.8054 140 W 4.8258 7.9600 118.5138 56.3658 29.2643 176.5873 141 S 4.9617 8.2095 119.3623 57.9729 62.6271 173.9548 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 *6 K 8.31 4.33 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 L 8.34 4.26 0.00 1.74 1.85 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.85 4.95 0.00 3.25 3.25 0.00 5.52 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 9 K 8.55 4.56 0.00 1.58 1.70 0.00 1.40 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.27 7.81 10 E 9.16 4.93 0.00 2.07 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 0.00 2.39 2.45 0.00 11 P 0.00 5.02 0.00 1.97 2.00 0.00 3.74 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 2.05 2.11 0.00 12 A 8.45 4.89 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 13 T 8.59 4.63 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 1.23 0.00 0.00 14 L 8.72 4.22 0.00 1.63 1.58 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.32 4.36 2.05 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 1.15 0.80 0.94 0.00 0.00 16 K 7.55 4.56 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 A 8.72 4.50 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 18 I 8.17 4.31 2.04 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 1.49 0.96 0.91 0.00 0.00 19 D 7.99 4.50 0.00 2.78 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 20 G 9.37 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 0.00 0.00 0.00 21 D 8.11 5.03 0.00 2.82 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 22 T 8.09 5.15 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 1.27 0.00 0.00 23 V 8.76 4.86 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 0.73 0.00 0.00 0.95 0.00 0.00 24 K 9.25 5.04 0.00 1.87 1.83 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.52 7.81 25 L 9.32 5.29 0.00 1.70 1.61 0.35 0.49 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 26 M 9.15 4.92 0.00 2.15 1.98 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 2.59 2.55 0.00 27 Y 9.28 4.97 0.00 3.29 3.10 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 0.00 0.00 0.00 0.00 28 K 9.45 3.65 0.00 1.46 1.60 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 0.21 7.81 29 G 8.20 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 30 Q 7.99 4.66 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 31 P 0.00 5.02 0.00 2.02 2.03 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 32 M 9.46 4.90 0.00 1.67 2.02 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.53 0.00 33 T 8.43 5.03 4.28 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 1.22 0.00 0.00 34 F 9.33 5.14 0.00 2.94 2.82 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 35 R 8.96 5.06 0.00 1.86 1.76 0.00 3.35 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 36 L 8.72 4.39 0.00 1.67 1.63 0.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.61 3.91 0.00 0.97 1.29 0.20 0.34 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 38 L 8.85 4.61 0.00 2.02 1.86 1.15 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.37 5.10 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 8.93 4.96 0.00 2.63 2.42 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 0.00 0.00 0.00 0.00 41 T 8.77 4.83 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 1.24 0.00 0.00 42 P 0.00 4.17 0.00 2.36 2.34 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 43 E 8.93 4.40 0.00 2.08 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 2.23 2.22 0.00 44 T 7.94 4.03 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 1.20 0.00 0.00 45 K 7.42 4.46 0.00 1.69 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.40 7.81 46 H 8.18 4.52 0.00 3.14 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.28 0.00 2.21 2.32 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 48 K 7.97 4.56 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 K 8.49 4.46 0.00 1.70 1.78 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 50 G 7.71 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 0.00 0.00 0.00 51 V 7.97 4.82 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 1.03 0.00 0.00 0.99 0.00 0.00 52 E 9.11 4.43 0.00 1.96 1.82 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 2.28 2.28 0.00 53 K 8.22 4.02 0.00 1.57 1.52 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.99 0.43 7.81 54 Y 8.00 4.04 0.00 3.21 3.10 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 0.00 0.00 0.00 0.00 55 G 8.05 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.16 4.03 0.00 2.39 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 0.00 2.56 2.52 0.00 58 A 8.47 4.12 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 59 S 8.22 4.18 0.00 4.05 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 60 A 8.25 4.00 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 61 F 8.45 3.82 0.00 3.25 3.24 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 62 T 8.17 3.91 4.31 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 1.29 0.00 0.00 63 K 8.00 3.83 0.00 2.07 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.46 7.81 64 K 8.11 3.82 0.00 1.96 1.70 0.00 1.58 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 65 M 7.68 3.85 0.00 2.03 1.74 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 2.50 2.53 0.00 66 V 8.04 3.83 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 0.89 0.00 0.00 1.01 0.00 0.00 67 E 8.34 4.10 0.00 2.01 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 2.33 2.42 0.00 68 N 8.16 4.51 0.00 2.77 2.83 0.00 0.00 6.99 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 69 A 7.33 4.37 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 70 K 8.77 4.17 0.00 1.90 1.94 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.40 7.81 71 K 8.60 4.56 0.00 1.80 1.72 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.39 4.94 2.01 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 1.34 1.40 0.85 0.00 0.00 73 E 9.24 5.14 0.00 1.91 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 2.32 2.22 0.00 74 V 8.69 4.44 1.86 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 0.20 0.00 0.00 0.12 0.00 0.00 75 E 9.07 5.01 0.00 2.26 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 0.00 2.42 2.53 0.00 76 F 8.80 4.66 0.00 3.02 2.92 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 0.00 0.00 0.00 77 D 8.47 5.01 0.00 2.69 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 78 K 8.58 4.44 0.00 1.94 1.96 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.42 7.81 79 G 8.28 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.71 3.94 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 81 R 8.47 4.41 0.00 1.67 1.62 0.00 2.95 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 82 T 7.68 5.56 4.17 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 1.12 0.00 0.00 83 D 8.14 4.73 0.00 2.85 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 84 K 8.29 3.91 0.00 1.55 1.74 0.00 1.15 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 0.29 7.81 85 Y 7.99 4.34 0.00 3.09 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 86 G 8.13 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 0.00 0.00 0.00 87 R 8.11 4.33 0.00 1.88 1.87 0.00 3.11 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 88 G 8.41 3.46 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 0.00 0.00 0.00 89 L 8.83 5.32 0.00 1.58 1.65 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.38 4.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.77 4.69 0.00 3.00 2.67 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 0.00 0.00 0.00 0.00 92 I 8.45 4.77 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.27 0.83 0.00 0.00 93 Y 9.18 5.11 0.00 2.89 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 94 A 9.14 4.86 1.20 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 95 D 9.93 4.40 0.00 2.80 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 96 G 8.52 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 0.00 0.00 0.00 97 K 7.95 4.53 0.00 2.08 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81 98 M 8.56 4.08 0.00 1.94 1.63 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.50 0.00 99 V 8.69 3.66 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 1.05 0.00 0.00 0.95 0.00 0.00 100 N 8.01 4.39 0.00 2.92 2.92 0.00 0.00 6.81 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 0.00 101 E 8.05 3.93 0.00 2.00 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 2.28 2.25 0.00 102 A 8.09 4.06 1.63 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 0.00 0.00 103 L 7.92 3.46 0.00 1.67 1.60 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.44 3.71 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 1.16 0.00 0.00 0.98 0.00 0.00 105 R 8.19 4.00 0.00 2.02 2.07 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.69 4.19 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.25 1.86 0.00 107 G 8.28 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 0.00 108 L 7.80 4.67 0.00 1.34 1.51 0.54 0.76 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 0.00 109 A 7.57 4.70 1.16 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 0.00 110 K 8.68 4.80 0.00 1.65 1.73 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.30 1.13 7.81 111 V 8.65 4.37 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 8.61 4.40 0.89 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 0.00 0.00 113 Y 7.39 3.46 0.00 3.14 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 0.00 114 V 6.89 3.73 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 0.80 0.00 0.00 0.88 0.00 0.00 115 Y 7.76 4.64 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 0.00 116 K 8.92 5.08 0.00 1.76 1.79 0.00 1.62 0.00 0.00 2.45 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.45 7.81 117 P 0.00 4.92 0.00 2.26 2.15 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 118 N 8.08 4.86 0.00 3.02 2.89 0.00 0.00 6.62 7.52 0.00 0.00 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 N 7.69 5.18 0.00 2.86 3.00 0.00 0.00 6.10 7.22 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 0.00 120 T 8.57 3.86 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 1.11 0.00 0.00 121 H 8.23 4.87 0.00 2.81 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 3.97 0.00 2.26 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 2.33 2.39 0.00 123 Q 8.02 3.98 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 124 H 8.22 4.12 0.00 3.21 3.44 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 0.00 125 L 8.20 3.97 0.00 1.90 1.72 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 0.00 126 R 8.50 3.92 0.00 1.90 1.95 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 127 K 8.15 3.88 0.00 1.90 2.01 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.61 7.81 128 S 7.82 4.10 0.00 3.84 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 0.00 129 E 8.24 3.90 0.00 2.15 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 0.00 2.20 2.57 0.00 130 A 7.89 3.71 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 0.00 131 Q 7.91 3.81 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 132 A 8.13 4.04 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.66 3.17 0.00 1.42 1.19 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.73 7.81 134 K 7.60 3.79 0.00 1.76 2.01 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 7.99 4.23 0.00 1.98 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 2.31 2.47 0.00 136 K 8.06 4.17 0.00 1.93 1.90 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.51 7.81 137 L 8.27 4.60 0.00 1.78 1.69 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.37 3.29 0.00 2.50 1.42 0.00 0.00 7.12 7.29 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 0.00 139 I 4.00 3.30 1.32 0.00 0.00 0.58 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 0.15 -0.61 0.00 0.00 140 W 7.96 4.83 0.00 3.43 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 0.00 141 S 8.21 4.96 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.