NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3914 8.1627 120.6234 55.5531 34.3731 173.9062 2 K 4.4567 8.6821 124.4166 54.3804 32.6814 170.9353 3 E 4.8178 9.0358 126.8748 54.2816 32.5368 174.8606 4 V 4.6164 8.3314 123.8280 60.4016 32.6492 175.5485 5 I 4.2944 8.6620 127.5938 60.6836 38.2376 176.0680 6 F 4.7859 8.5936 127.6814 57.3765 41.5376 173.2594 7 T 4.3804 8.2257 122.8765 59.8092 69.9519 173.6123 8 E 3.8778 8.3258 127.0738 58.6504 30.0075 177.8560 9 N 4.6998 7.8719 113.5509 53.6409 38.1809 174.3318 10 A 4.6204 7.5003 120.2806 49.6899 22.3957 174.8256 11 P 4.1178 0.0000 0.0000 62.7343 31.8800 176.1933 12 K 4.4374 8.6073 124.2684 55.2326 32.8092 174.8041 13 P 4.4837 0.0000 0.0000 62.5465 32.0654 175.5719 14 I 4.2601 8.2004 114.5441 61.4445 38.8211 174.0252 15 G 3.8417 8.7511 112.7654 43.5753 0.0000 170.5453 16 P 4.4151 0.0000 0.0000 62.2136 30.9000 174.6300 17 Y 4.9137 7.1746 113.6406 57.2559 42.3976 175.2179 18 S 5.0141 8.4396 116.6400 56.7082 66.3702 174.6247 19 Q 4.3650 8.8181 120.3578 59.1914 29.6199 176.1173 20 A 5.4940 7.5608 116.9950 52.1211 22.8963 175.3899 21 I 4.9971 8.2189 119.4478 59.5274 41.5360 174.2972 22 K 4.9257 9.7370 129.3503 55.2128 33.7013 175.0829 23 A 5.0674 9.2202 130.9714 49.8331 20.7936 176.1006 24 G 3.8812 8.7590 113.7341 48.2041 0.0000 174.2241 25 N 4.5561 8.8453 121.7107 53.2378 39.1440 173.9437 26 F 5.1245 8.2401 118.5109 55.9709 41.5805 174.5539 27 L 4.9780 9.0109 125.0412 53.3735 44.7357 175.1532 28 F 4.9141 9.2444 126.3046 56.0645 40.0292 174.8585 29 I 4.6576 8.4626 125.7285 60.1749 38.3831 176.2222 30 A 4.4815 9.0570 129.3267 51.2950 19.4548 177.3946 31 G 3.7042 8.6291 106.8510 46.9579 0.0000 173.0620 32 Q 4.8745 9.3560 125.5026 54.3946 30.8509 175.0348 33 I 4.7386 8.1294 116.3976 57.8219 40.7327 174.4440 34 P 4.7167 0.0000 0.0000 63.4197 28.4091 174.0509 35 I 5.0109 7.4334 123.9224 59.0835 41.1130 174.8225 36 D 4.6394 8.6307 126.3796 52.2420 41.7944 175.2072 37 P 4.3084 0.0000 0.0000 65.0404 31.7452 176.7773 38 K 4.5440 7.5299 119.2977 54.4173 31.4746 175.4313 39 T 4.2489 8.0420 121.6367 61.1853 69.7360 172.2838 40 G 4.0080 8.2931 108.9105 46.1804 0.0000 172.6374 41 E 4.8781 7.6891 117.7562 53.7274 33.6958 174.4749 42 I 4.6850 8.2951 118.0535 60.9065 38.6947 176.7629 43 V 3.9916 8.4571 120.8823 61.7031 30.0688 177.8301 44 K 3.7714 8.1312 125.9156 54.4358 30.8412 175.7202 45 G 4.1642 8.4661 102.9004 47.2109 0.0000 173.1055 46 D 4.7532 7.8486 119.2951 52.4764 43.3002 176.3408 47 I 3.7412 8.3231 126.2790 63.5853 38.0268 177.6162 48 K 4.0874 8.2483 120.2635 59.2156 31.7488 178.2337 49 D 4.4466 8.4399 119.2459 56.8824 40.7068 178.8229 50 Q 4.0019 8.2821 118.8101 59.2337 28.9790 178.2601 51 T 3.8994 7.7068 116.3299 66.8428 68.4668 176.5647 52 R 3.8260 7.8377 120.0920 59.2512 30.0534 178.3318 53 Q 3.8888 7.7160 118.6918 59.2184 29.1988 178.1613 54 V 3.5352 8.0850 119.6178 66.3061 31.4588 178.0416 55 L 3.7782 7.7518 118.3164 57.1634 41.1947 179.0899 56 E 3.9113 7.9490 119.6072 59.3843 29.6046 178.5763 57 N 4.3230 8.3343 116.7282 56.4138 38.5739 177.5109 58 I 3.7201 7.4956 120.7458 63.9855 37.1426 178.2890 59 K 3.8749 8.2130 120.4164 59.4575 32.0020 178.4786 60 A 3.9759 7.8873 120.8775 55.4318 18.3032 179.5923 61 I 3.6167 7.6768 118.1145 64.4358 37.0591 178.6278 62 L 3.9796 8.0317 119.6634 57.8973 41.5159 179.3358 63 E 4.0768 8.3518 118.1668 59.6258 29.2505 179.3919 64 A 4.0102 8.0646 119.0589 54.8242 18.4780 178.7585 65 A 4.4129 7.8912 117.2577 52.7271 19.0487 178.3442 66 G 3.8276 8.2465 105.5581 45.3372 0.0000 172.8405 67 Y 4.6680 8.1070 116.9524 56.0398 40.6096 174.7198 68 S 4.8656 8.3930 115.0232 56.0005 65.7894 175.0972 69 L 4.0817 8.4182 122.0305 57.8640 41.8831 177.2072 70 N 4.9062 7.6275 114.7160 53.1378 37.5860 175.2789 71 D 4.8944 7.9790 117.9749 54.7469 42.5717 176.4916 72 V 4.1647 7.5388 119.3470 62.8912 31.9616 175.2261 73 I 4.3850 8.5967 120.3328 61.3602 40.3269 175.5163 74 K 4.9442 7.7225 123.5248 54.7003 35.7451 175.0110 75 V 4.8072 9.0061 127.0330 61.3137 35.3611 174.1240 76 T 4.8855 8.7490 123.3481 61.7830 71.6424 172.8694 77 V 4.4472 8.8370 127.4720 61.4533 33.7524 173.9630 78 Y 4.9143 8.9763 126.2443 56.4960 39.9886 174.5179 79 L 5.1880 8.6979 125.1336 52.6243 44.0381 177.7942 80 K 4.2313 8.9599 127.0921 59.6104 32.0853 178.0552 *83 N 4.7191 8.3740 117.3320 53.0355 40.1252 180.7647 84 D 4.8067 7.8537 119.1824 54.6726 39.3366 183.8245 *85 F 4.5812 7.9731 114.3370 57.6243 37.5384 178.5809 86 A 4.6236 8.3829 123.0570 54.8249 20.1975 179.3164 87 K 4.1556 7.8828 114.1717 58.4642 32.5144 178.5991 88 M 4.2441 7.8895 118.8219 58.1898 32.2176 177.2679 89 N 4.4292 8.0989 116.6257 56.0541 38.9513 176.4612 90 E 3.9952 7.6811 119.5965 59.3852 29.6513 178.6923 91 V 4.0495 7.8601 117.5250 65.7609 31.7041 177.1161 92 Y 4.0519 7.9434 119.3351 60.2635 38.4670 177.6979 93 A 4.2409 8.0474 122.0622 54.8863 18.4316 178.8983 94 E 3.9766 7.8440 114.4245 58.2790 29.4472 177.1958 95 Y 4.1711 7.6157 114.2001 58.7799 40.7939 176.2334 96 F 4.9107 7.8764 115.6387 57.2495 40.2930 176.2708 97 G 4.1301 8.1077 112.1557 43.5391 0.0000 172.0659 98 E 4.8012 7.6346 122.3707 56.4543 35.0611 176.3817 99 S 4.4655 8.4567 111.7991 57.8666 64.3023 174.1531 100 K 3.7783 7.6957 114.5250 57.1558 29.0157 172.0872 101 P 4.7489 0.0000 0.0000 60.7213 33.6580 175.3938 102 A 4.1139 8.7111 123.4948 52.3076 19.0987 176.7631 103 R 5.0427 8.5092 122.1387 54.4294 33.5434 174.9883 104 V 4.4011 8.5127 123.6241 61.1473 34.7390 173.8731 105 A 5.1527 8.5140 129.0516 50.1483 21.7345 175.0860 106 V 4.4709 8.4465 120.6235 60.3896 35.4714 173.1209 107 E 5.1239 8.6775 122.2325 55.2188 31.1412 175.0248 108 V 4.5943 8.6422 118.3759 59.4906 35.4445 176.2787 109 S 4.2258 8.8140 117.5752 61.5974 62.8237 174.9215 110 R 4.4828 7.2483 115.6772 55.5351 32.4606 172.8601 111 L 4.8304 7.8772 120.8703 51.5981 45.2758 174.3082 112 P 4.2557 0.0000 0.0000 64.2043 31.6103 176.7365 113 K 3.4632 8.9356 118.5056 59.1637 30.2361 174.9607 114 D 4.2533 7.3801 112.9039 55.3250 39.7970 172.5244 115 V 4.2434 7.2080 113.7382 60.3451 34.0777 176.6237 116 L 4.4503 9.5658 120.5925 56.4997 42.7609 176.9968 117 I 5.1441 7.5686 117.1504 59.6617 41.1066 173.3867 118 E 5.0439 9.3997 128.8544 54.5837 33.4246 174.2974 119 I 5.3250 8.7417 126.1286 59.5732 41.5075 174.0084 120 E 5.1439 8.9792 123.8036 54.6831 32.6707 174.7805 121 A 5.2187 8.3391 121.5833 50.6600 23.6371 174.9049 122 I 4.9370 8.6546 118.9641 59.4283 41.0702 174.8123 123 A 5.2270 8.8401 127.2416 50.4460 22.8148 174.1541 124 Y 5.0453 8.6889 119.3278 56.0599 42.2439 174.2948 125 K 4.3551 7.6687 126.6843 54.1568 35.1628 175.8726 126 E 3.8889 8.6392 125.5232 56.6986 29.3824 176.6960 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 1 M 8.16 4.39 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 K 8.68 4.46 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.57 7.81 3 E 9.04 4.82 0.00 2.07 1.89 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 2.29 2.32 0.00 4 V 8.33 4.62 2.13 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 0.75 0.00 0.00 1.00 0.00 0.00 5 I 8.66 4.29 1.95 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 1.19 0.50 0.95 0.00 0.00 6 F 8.59 4.79 0.00 2.97 2.98 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 7 T 8.23 4.38 4.12 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 0.00 0.00 0.00 1.13 0.00 0.00 8 E 8.33 3.88 0.00 2.03 1.87 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 2.38 2.38 0.00 9 N 7.87 4.70 0.00 2.71 2.79 0.00 0.00 6.70 7.51 0.00 0.00 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 7.50 4.62 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 11 P 0.00 4.12 0.00 2.07 2.08 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 12 K 8.61 4.44 0.00 1.88 1.82 0.00 1.91 0.00 0.00 2.06 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.58 7.81 13 P 0.00 4.48 0.00 2.46 2.18 0.00 4.14 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 14 I 8.20 4.26 1.92 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 1.39 0.62 0.95 0.00 0.00 15 G 8.75 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 16 P 0.00 4.42 0.00 1.77 1.85 0.00 3.33 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.61 0.00 17 Y 7.17 4.91 0.00 2.97 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 18 S 8.44 5.01 0.00 3.91 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 19 Q 8.82 4.36 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 20 A 7.56 5.49 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 21 I 8.22 5.00 1.98 0.00 0.00 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 1.29 0.77 1.03 0.00 0.00 22 K 9.74 4.93 0.00 1.95 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.62 7.81 23 A 9.22 5.07 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 24 G 8.76 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 25 N 8.85 4.56 0.00 2.25 2.35 0.00 0.00 6.78 8.13 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 26 F 8.24 5.12 0.00 3.40 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 27 L 9.01 4.98 0.00 0.65 0.78 0.96 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.24 4.91 0.00 3.03 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 29 I 8.46 4.66 1.99 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 1.14 0.82 0.97 0.00 0.00 30 A 9.06 4.48 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 31 G 8.63 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 32 Q 9.36 4.87 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 33 I 8.13 4.74 1.88 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 0.65 0.91 0.00 0.00 34 P 0.00 4.72 0.00 2.14 2.27 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 35 I 7.43 5.01 1.88 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 1.22 1.10 0.92 0.00 0.00 36 D 8.63 4.64 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.20 2.06 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 38 K 7.53 4.54 0.00 1.79 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.34 7.81 39 T 8.04 4.25 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 1.32 0.00 0.00 40 G 8.29 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 41 E 7.69 4.88 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 42 I 8.30 4.68 1.88 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 1.36 1.12 0.92 0.00 0.00 43 V 8.46 3.99 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 0.72 0.00 0.00 0.97 0.00 0.00 44 K 8.13 3.77 0.00 1.91 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 0.98 7.81 45 G 8.47 4.16 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 0.00 46 D 7.85 4.75 0.00 2.80 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 47 I 8.32 3.74 1.89 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 1.54 1.08 0.93 0.00 0.00 48 K 8.25 4.09 0.00 1.89 2.03 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.56 7.81 49 D 8.44 4.45 0.00 2.94 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 50 Q 8.28 4.00 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 51 T 7.71 3.90 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 1.34 0.00 0.00 52 R 7.84 3.83 0.00 2.00 1.94 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 53 Q 7.72 3.89 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 54 V 8.09 3.54 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 1.05 0.00 0.00 1.00 0.00 0.00 55 L 7.75 3.78 0.00 1.00 0.13 0.84 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.95 3.91 0.00 2.32 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 2.33 2.42 0.00 57 N 8.33 4.32 0.00 2.90 2.84 0.00 0.00 7.08 8.27 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 58 I 7.50 3.72 1.96 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 1.43 0.98 0.99 0.00 0.00 59 K 8.21 3.87 0.00 2.01 1.90 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.52 7.81 60 A 7.89 3.98 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 61 I 7.68 3.62 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 1.49 0.76 0.92 0.00 0.00 62 L 8.03 3.98 0.00 1.94 1.80 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.35 4.08 0.00 2.20 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 2.35 2.51 0.00 64 A 8.06 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 65 A 7.89 4.41 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 66 G 8.25 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 67 Y 8.11 4.67 0.00 2.87 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 68 S 8.39 4.87 0.00 4.03 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 69 L 8.42 4.08 0.00 1.75 1.73 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.63 4.91 0.00 2.72 2.93 0.00 0.00 6.83 7.94 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 71 D 7.98 4.89 0.00 3.18 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 72 V 7.54 4.16 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 0.53 0.00 0.00 1.15 0.00 0.00 73 I 8.60 4.39 1.87 0.00 0.00 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 1.32 0.52 1.02 0.00 0.00 74 K 7.72 4.94 0.00 1.76 1.58 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 75 V 9.01 4.81 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 0.98 0.00 0.00 0.28 0.00 0.00 76 T 8.75 4.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 77 V 8.84 4.45 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 0.95 0.00 0.00 0.95 0.00 0.00 78 Y 8.98 4.91 0.00 3.10 2.83 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 79 L 8.70 5.19 0.00 1.58 1.56 0.90 0.81 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 80 K 8.96 4.23 0.00 1.80 1.85 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 *83 N 8.37 4.72 0.00 2.81 2.76 0.00 0.00 6.61 8.06 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 84 D 7.85 4.81 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.58 0.00 2.29 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 0.00 0.00 0.00 0.00 86 A 8.38 4.62 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 87 K 7.88 4.16 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 M 7.89 4.24 0.00 2.06 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 2.68 2.59 0.00 89 N 8.10 4.43 0.00 2.95 2.82 0.00 0.00 6.85 7.65 0.00 0.00 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 E 7.68 4.00 0.00 2.08 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 2.35 0.00 91 V 7.86 4.05 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 1.20 0.00 0.00 1.00 0.00 0.00 92 Y 7.94 4.05 0.00 3.31 3.15 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 93 A 8.05 4.24 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 94 E 7.84 3.98 0.00 2.14 1.60 0.00 0.00 0.00 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 2.29 0.00 95 Y 7.62 4.17 0.00 2.10 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 0.00 0.00 0.00 0.00 96 F 7.88 4.91 0.00 2.86 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 97 G 8.11 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 98 E 7.63 4.80 0.00 1.88 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 2.10 2.13 0.00 99 S 8.46 4.47 0.00 4.09 4.06 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 0.00 100 K 7.70 3.78 0.00 1.91 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.46 7.81 101 P 0.00 4.75 0.00 1.74 1.92 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.08 0.00 102 A 8.71 4.11 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 0.00 103 R 8.51 5.04 0.00 1.72 1.68 0.00 3.01 0.00 0.00 2.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 104 V 8.51 4.40 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 0.80 0.00 0.00 0.86 0.00 0.00 105 A 8.51 5.15 1.05 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 0.00 0.00 106 V 8.45 4.47 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 0.64 0.00 0.00 0.94 0.00 0.00 107 E 8.68 5.12 0.00 2.00 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 2.36 2.41 0.00 108 V 8.64 4.59 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 0.88 0.00 0.00 1.03 0.00 0.00 109 S 8.81 4.23 0.00 3.85 3.92 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 0.00 110 R 7.25 4.48 0.00 1.70 1.72 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 111 L 7.88 4.83 0.00 1.84 1.49 1.02 1.00 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 0.00 112 P 0.00 4.26 0.00 2.14 1.94 0.00 3.71 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 2.11 2.04 0.00 113 K 8.94 3.46 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.47 7.81 114 D 7.38 4.25 0.00 2.66 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 0.00 115 V 7.21 4.24 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 1.02 0.00 0.00 116 L 9.57 4.45 0.00 1.81 1.72 0.95 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.57 5.14 1.91 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 1.28 0.81 0.94 0.00 0.00 118 E 9.40 5.04 0.00 2.08 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 0.00 2.26 2.27 0.00 119 I 8.74 5.33 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 1.04 0.00 0.00 120 E 8.98 5.14 0.00 2.13 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 0.00 2.29 2.27 0.00 121 A 8.34 5.22 1.22 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 0.00 0.00 0.00 122 I 8.65 4.94 1.78 0.00 0.00 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 0.93 0.79 0.62 0.00 0.00 123 A 8.84 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.69 5.05 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.67 4.36 0.00 1.42 1.13 0.00 1.59 0.00 0.00 1.25 0.00 0.00 2.34 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.04 1.17 7.81 126 E 8.64 3.89 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 2.46 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.