NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 W 5.0938 8.2701 118.1196 56.7743 28.6386 174.4695 13 A 3.9758 8.7899 133.4591 51.2291 19.3871 174.9986 14 Q 4.6917 8.9157 120.7820 54.1621 32.1214 173.7840 15 R 4.1571 8.6668 124.4616 56.1359 30.6913 176.1530 16 S 5.0410 8.3142 114.7065 58.2187 65.7528 173.1891 17 S 4.9530 9.0468 115.8199 57.4936 67.9581 173.3914 18 T 5.0621 8.0131 115.9315 64.6577 70.8344 174.0048 19 T 4.3267 8.3254 124.1535 61.4143 70.4179 174.2852 20 D 5.7925 7.6481 132.4084 53.6348 39.8203 175.2168 21 P 4.2892 0.0000 0.0000 63.4450 33.2902 176.9184 22 E 4.2984 7.4858 121.8634 55.7887 30.3227 177.3852 23 R 3.9139 8.5110 123.3773 59.9367 30.5663 177.1263 24 N 5.0026 7.9834 112.0263 52.3450 38.3709 172.5133 25 Y 5.2661 6.9224 116.2871 56.2837 42.0007 173.4073 26 V 4.6623 9.1285 119.5948 60.8619 34.7213 174.1570 27 L 5.2539 9.7935 127.9471 54.1615 43.6347 175.9106 28 I 4.8602 8.9712 120.3527 59.4877 41.4080 174.1363 29 T 4.7569 8.4825 123.5648 61.6304 70.1893 173.0751 30 V 4.7199 9.3457 135.0000 62.5719 33.7063 177.6873 31 S 5.0312 8.5300 109.1212 58.2230 63.8303 176.2126 32 I 4.4160 7.3907 125.2223 60.0011 41.5771 172.8395 33 A 4.1951 8.5972 129.0154 53.1510 19.6294 177.6310 34 D 4.3791 8.1358 123.0799 55.2812 39.1153 173.8405 35 C 4.7759 7.7563 112.1288 57.9833 30.8325 172.7876 36 D 4.8989 9.0987 121.1951 52.9317 43.5383 174.0637 37 A 3.9283 8.4363 123.2989 52.6289 15.8056 172.6820 38 P 4.6755 0.0000 0.0000 61.8985 32.8043 176.4516 39 E 4.3935 8.8326 125.7904 55.1903 29.8532 175.6051 40 L 4.3756 8.3144 125.6905 55.9395 41.2168 177.3971 41 T 4.3370 8.4877 120.1008 62.4434 71.4301 173.6382 42 I 4.5909 7.8068 131.6790 59.6696 36.4613 176.2449 43 K 4.2761 8.2315 122.2136 55.6020 33.5962 177.2126 44 P 4.2024 0.0000 0.0000 64.8425 31.5616 177.1568 45 S 4.6398 7.9673 108.8225 57.7756 63.9461 172.5534 46 Y 5.4437 8.0468 115.6251 56.9851 42.4362 174.3656 47 I 4.9804 8.5241 120.9418 59.7979 41.4193 174.2474 48 E 5.3309 8.6556 125.5224 54.9805 33.1229 174.1811 49 L 5.0807 9.1204 127.0810 53.8534 46.1634 175.2152 50 K 5.5338 8.7072 126.8490 55.0468 32.9820 175.4134 51 A 4.5513 8.4676 120.8151 51.0443 19.5250 177.5758 52 Q 4.8565 8.5060 121.1685 55.2100 30.2094 174.9760 53 S 4.9276 8.8654 118.4023 57.3626 65.4743 175.0490 *54 K 4.5161 8.5310 127.0008 55.0824 28.4023 175.7830 *62 V 3.7443 7.5787 123.0315 62.6327 33.0708 174.2319 63 H 4.8290 7.9901 119.0565 54.3541 32.5738 172.0156 64 H 4.9812 8.6921 120.6931 55.1067 30.4495 173.6332 65 Y 5.2614 8.5302 120.5230 56.2098 40.3734 174.9414 66 Q 5.1885 8.7615 120.9864 54.7017 32.2904 174.3732 67 L 4.6318 8.9676 122.3218 54.2869 46.0241 173.7272 68 H 5.6643 8.8408 124.9797 54.5495 33.4335 172.2691 69 I 4.7121 8.6962 117.9173 59.3626 41.3576 173.7516 70 D 4.9439 8.8220 126.0390 54.0028 41.8451 176.2318 71 L 4.5829 8.7569 124.2142 54.8879 42.1418 176.5904 72 Y 4.0895 8.3070 121.6946 59.0402 39.4138 174.8661 73 K 4.1494 6.6419 115.5119 54.4336 36.2166 174.1133 74 E 4.2795 8.4800 121.2128 56.1263 29.8324 176.8917 75 I 4.3955 7.6561 121.8667 60.5623 40.5637 175.6098 76 I 4.5113 7.9460 121.1543 59.1068 38.3787 174.8668 77 P 4.3555 0.0000 0.0000 64.6454 31.6672 177.9941 78 E 4.0439 7.9633 119.3303 58.6763 29.9573 177.5584 79 K 4.4675 7.7035 120.4257 54.6953 30.9812 174.2006 80 T 4.9181 7.6387 114.3214 60.0892 71.3596 172.4813 81 M 4.9047 8.3015 125.6825 53.5843 34.0040 174.1097 82 H 5.1523 8.7820 117.7062 53.7047 31.2225 172.9450 83 K 4.5279 8.3902 120.0712 55.4527 36.7928 174.7186 84 V 4.2537 7.9455 119.0121 60.1685 32.9304 175.2008 85 A 4.3756 8.2418 127.9775 52.6995 20.7498 176.5022 86 N 4.2251 8.0100 118.0367 52.5812 43.1394 176.1882 87 G 4.3520 5.3800 101.3666 44.4979 0.0000 173.6668 *90 Y 4.7318 7.5734 118.0490 56.8298 40.5987 175.8315 91 F 4.5068 8.8565 123.8111 57.8007 41.2640 173.7174 92 L 5.3584 8.2151 127.5012 53.4429 44.8577 174.8428 93 K 5.0681 9.0299 124.8806 55.2941 36.1911 174.3955 94 L 4.5890 7.4850 123.2733 54.2608 45.9878 173.5985 95 Y 5.1019 8.7912 122.0112 56.6047 42.5607 174.2303 96 K 4.7517 8.8278 123.9255 56.4162 33.8447 177.2548 97 K 5.0770 8.7031 126.6885 56.3131 34.2353 176.3339 98 D 5.0997 8.4626 114.1694 53.2564 42.3122 173.9350 99 L 4.1762 7.2385 125.0655 55.4944 44.0508 175.3814 100 E 4.6095 9.6965 114.4635 57.1450 33.6662 177.0417 101 S 4.5627 7.6144 110.2235 57.5391 62.8027 171.5185 102 E 3.0572 7.4839 118.5291 54.9362 33.0275 175.7601 103 Y 4.6993 7.5247 117.2878 55.7571 39.8118 174.6394 104 W 4.0579 8.9564 126.1826 55.6962 29.6613 174.6345 105 P 4.4884 0.0000 0.0000 62.9508 31.3105 175.2376 106 R 4.3304 6.8220 113.9882 56.3845 31.6340 173.6644 107 L 4.6583 8.1131 118.6712 57.0743 42.6419 176.5134 108 T 5.4331 7.7088 107.5111 60.1740 71.1582 173.5044 109 K 4.6363 8.2590 116.7797 55.8515 33.1415 174.5203 110 E 4.3123 7.7595 117.6389 56.8203 31.5419 174.6469 111 K 4.3160 8.6603 122.5001 55.8226 31.9593 178.2926 112 V 4.4143 8.1711 122.1546 60.2424 29.8810 176.1081 113 K 4.4888 7.6195 123.9225 55.7560 32.0379 175.5115 114 Y 4.0277 8.0113 116.1077 56.7662 37.9495 175.2517 115 P 4.4926 0.0000 0.0000 65.5901 31.8328 177.0644 116 Y 4.4109 7.8821 115.6350 57.4039 38.8554 174.5137 117 I 4.3114 6.3047 122.6822 60.5488 37.5567 175.4827 118 K 4.6911 8.6250 126.0193 54.5014 36.6613 175.8940 119 T 3.9975 8.0822 118.7111 63.3267 69.3815 174.9748 120 D 4.4447 8.1067 125.9542 52.7449 39.8516 176.7696 121 F 4.4209 8.1359 124.2101 59.4992 39.5626 176.7198 122 D 4.5663 8.2439 120.1831 57.1222 41.0541 177.3438 123 K 4.2701 7.9124 115.7896 57.4174 32.9200 177.2993 124 W 4.1845 8.1654 128.9100 57.8867 30.8634 174.6453 125 V 2.9191 6.8948 117.3515 61.3531 36.9958 175.5680 126 D 3.7837 8.4390 114.1621 55.1327 40.0690 173.8277 127 A 4.1291 8.1730 125.5955 52.7475 18.5579 178.4748 128 D 5.1361 7.0275 114.0413 52.2017 41.1748 177.4676 129 E 3.6884 7.7825 116.6550 60.4278 29.8901 177.9072 130 Q 4.4878 8.0385 118.5347 56.6344 29.2422 176.1475 131 D 4.9847 7.6886 117.5699 54.0428 41.7994 176.1626 132 E 5.3499 7.7691 115.8647 53.9487 29.9724 175.3354 133 V 4.6211 7.4180 115.5216 59.7656 33.4129 174.1224 134 E 4.4863 7.5255 117.9447 55.6525 32.2185 175.7164 135 A 4.1692 8.3748 121.1187 53.1794 19.2628 176.2029 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 12 W 8.27 5.09 0.00 3.48 3.07 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 0.00 0.00 0.00 0.00 13 A 8.79 3.98 0.84 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 14 Q 8.92 4.69 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 1.50 1.91 0.00 15 R 8.67 4.16 0.00 1.79 1.77 0.00 2.79 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.00 16 S 8.31 5.04 0.00 3.97 4.10 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 17 S 9.05 4.95 0.00 3.82 3.81 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 18 T 8.01 5.06 4.35 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 1.27 0.00 0.00 19 T 8.33 4.33 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 1.20 0.00 0.00 20 D 7.65 5.79 0.00 2.78 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 21 P 0.00 4.29 0.00 2.12 1.64 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 22 E 7.49 4.30 0.00 1.16 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 1.74 1.76 0.00 23 R 8.51 3.91 0.00 1.88 1.94 0.00 3.37 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 24 N 7.98 5.00 0.00 2.97 3.02 0.00 0.00 5.61 7.57 0.00 0.00 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 Y 6.92 5.27 0.00 3.19 3.01 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 26 V 9.13 4.66 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 0.99 0.00 0.00 -0.10 0.00 0.00 27 L 9.79 5.25 0.00 1.71 1.64 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.97 4.86 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 1.00 0.00 0.00 29 T 8.48 4.76 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 0.59 0.00 0.00 30 V 9.35 4.72 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 0.76 0.00 0.00 1.10 0.00 0.00 31 S 8.53 5.03 0.00 3.96 3.89 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 32 I 7.39 4.42 1.35 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 0.94 0.40 0.82 0.00 0.00 33 A 8.60 4.20 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 34 D 8.14 4.38 0.00 2.73 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 35 C 7.76 4.78 0.00 3.27 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 9.10 4.90 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 3.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.68 0.00 2.29 2.56 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 39 E 8.83 4.39 0.00 2.06 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 2.41 2.38 0.00 40 L 8.31 4.38 0.00 1.58 1.63 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.49 4.34 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 1.25 0.00 0.00 42 I 7.81 4.59 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 1.48 0.91 1.02 0.00 0.00 43 K 8.23 4.28 0.00 2.17 1.97 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.52 7.81 44 P 0.00 4.20 0.00 2.16 2.11 0.00 3.61 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 2.16 2.15 0.00 45 S 7.97 4.64 0.00 3.58 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 46 Y 8.05 5.44 0.00 2.95 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 47 I 8.52 4.98 1.88 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 0.98 0.94 0.98 0.00 0.00 48 E 8.66 5.33 0.00 2.09 1.81 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 2.25 2.31 0.00 49 L 9.12 5.08 0.00 1.59 1.33 0.40 0.00 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 50 K 8.71 5.53 0.00 1.79 1.87 0.00 1.68 0.00 0.00 2.40 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.31 7.81 51 A 8.47 4.55 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 52 Q 8.51 4.86 0.00 1.98 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 53 S 8.87 4.93 0.00 4.28 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 *54 K 8.53 4.52 0.00 1.54 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *62 V 7.58 3.74 1.97 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 0.89 0.00 0.00 0.90 0.00 0.00 63 H 7.99 4.83 0.00 2.93 2.66 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.69 4.98 0.00 3.15 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.53 5.26 0.00 3.26 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 66 Q 8.76 5.19 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 67 L 8.97 4.63 0.00 1.70 1.49 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.84 5.66 0.00 3.13 3.14 0.00 5.94 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.70 4.71 1.85 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 1.27 0.57 0.90 0.00 0.00 70 D 8.82 4.94 0.00 2.94 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 71 L 8.76 4.58 0.00 1.43 1.68 1.15 0.96 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 72 Y 8.31 4.09 0.00 2.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.64 4.15 0.00 0.90 1.51 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.97 0.82 7.81 74 E 8.48 4.28 0.00 1.89 1.84 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 2.25 2.37 0.00 75 I 7.66 4.40 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.90 0.00 0.00 76 I 7.95 4.51 1.94 0.00 0.00 0.91 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 1.10 0.97 0.00 0.00 77 P 0.00 4.36 0.00 2.07 2.36 0.00 3.70 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 2.05 2.10 0.00 78 E 7.96 4.04 0.00 1.92 2.00 0.00 0.00 0.00 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 2.41 0.00 79 K 7.70 4.47 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.34 7.81 80 T 7.64 4.92 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 1.44 0.00 0.00 81 M 8.30 4.90 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 82 H 8.78 5.15 0.00 3.49 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.39 4.53 0.00 1.64 1.74 0.00 1.16 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.21 7.81 84 V 7.95 4.25 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 0.64 0.00 0.00 0.87 0.00 0.00 85 A 8.24 4.38 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 86 N 8.01 4.23 0.00 2.70 2.56 0.00 0.00 5.78 7.68 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 87 G 5.38 4.35 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 0.00 *90 Y 7.57 4.73 0.00 3.09 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 91 F 8.86 4.51 0.00 3.18 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 92 L 8.22 5.36 0.00 1.85 1.39 0.89 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 K 9.03 5.07 0.00 2.03 1.57 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.53 7.81 94 L 7.48 4.59 0.00 1.62 1.19 0.56 0.76 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 95 Y 8.79 5.10 0.00 2.96 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 96 K 8.83 4.75 0.00 1.91 1.74 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.73 7.81 97 K 8.70 5.08 0.00 1.86 2.02 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.38 1.51 7.81 98 D 8.46 5.10 0.00 2.76 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 99 L 7.24 4.18 0.00 1.95 1.45 1.00 0.73 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 0.00 100 E 9.70 4.61 0.00 1.87 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 2.21 2.38 0.00 101 S 7.61 4.56 0.00 3.94 3.81 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 0.00 102 E 7.48 3.06 0.00 1.76 1.59 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 2.08 2.03 0.00 103 Y 7.52 4.70 0.00 3.04 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 0.00 104 W 8.96 4.06 0.00 3.08 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 0.00 105 P 0.00 4.49 0.00 2.15 2.15 0.00 2.54 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 1.78 1.93 0.00 106 R 6.82 4.33 0.00 1.90 1.92 0.00 3.13 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 107 L 8.11 4.66 0.00 1.73 1.68 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.71 5.43 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 109 K 8.26 4.64 0.00 1.69 1.86 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.37 7.81 110 E 7.76 4.31 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 111 K 8.66 4.32 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.50 7.81 112 V 8.17 4.41 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 0.83 0.00 0.00 0.99 0.00 0.00 113 K 7.62 4.49 0.00 1.62 1.66 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 114 Y 8.01 4.03 0.00 2.87 2.51 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 0.00 0.00 0.00 0.00 115 P 0.00 4.49 0.00 2.29 2.23 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 116 Y 7.88 4.41 0.00 3.27 3.29 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 0.00 117 I 6.30 4.31 1.51 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.19 0.75 0.00 0.00 118 K 8.62 4.69 0.00 1.65 1.60 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.37 7.81 119 T 8.08 4.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 120 D 8.11 4.44 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.14 4.42 0.00 3.09 3.13 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 0.00 122 D 8.24 4.57 0.00 2.65 2.88 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 0.00 123 K 7.91 4.27 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.49 7.81 124 W 8.17 4.18 0.00 3.17 3.16 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 0.00 125 V 6.89 2.92 1.65 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 0.50 0.00 0.00 0.77 0.00 0.00 126 D 8.44 3.78 0.00 2.49 2.56 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 0.00 127 A 8.17 4.13 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 0.00 128 D 7.03 5.14 0.00 2.54 2.53 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 0.00 129 E 7.78 3.69 0.00 2.01 1.76 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 2.19 2.30 0.00 130 Q 8.04 4.49 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.53 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 131 D 7.69 4.98 0.00 2.71 2.60 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 0.00 0.00 0.00 132 E 7.77 5.35 0.00 1.80 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 2.15 2.24 0.00 133 V 7.42 4.62 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 0.81 0.00 0.00 0.92 0.00 0.00 134 E 7.53 4.49 0.00 2.04 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 2.24 2.23 0.00 135 A 8.37 4.17 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 * Residues marked with a * may have inaccurate shift predictions.