NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.6616 0.0000 0.0000 62.5643 33.6624 174.5801 12 V 4.5167 8.9565 114.0589 59.3234 35.8146 173.2780 13 L 5.1393 9.9686 123.3860 53.2176 45.2710 175.7476 14 L 4.9177 8.7157 121.5048 53.1843 44.2594 174.9593 15 K 4.8230 8.8902 126.2848 54.1606 34.8311 175.1104 16 S 4.0582 8.8355 123.8169 58.2563 62.5964 174.9740 17 T 3.7708 8.2776 118.4578 64.5841 68.6887 175.8208 18 E 3.9750 7.5803 121.4817 58.3496 29.4337 177.1682 19 T 4.3432 7.5550 105.6983 60.2687 70.1179 174.9892 20 G 3.7249 8.1122 109.9502 46.2531 0.0000 173.4148 21 Q 4.4591 7.1319 119.1622 55.0377 30.6014 174.4693 22 Y 4.9167 8.9808 120.9087 56.3850 40.1750 175.0097 23 L 4.6633 9.0838 126.3559 55.3581 43.7497 175.6255 24 R 4.9124 9.1946 125.4859 54.7608 33.5539 173.5577 25 I 4.7532 7.8606 127.0913 59.8783 38.4386 175.6576 26 N 4.6031 8.9697 125.2189 51.7459 39.4238 174.7886 27 P 4.2475 0.0000 0.0000 65.4507 31.4848 177.2456 28 D 4.5136 7.9873 115.3428 53.5590 39.7722 177.0930 29 G 4.2645 8.5106 110.5005 45.1557 0.0000 173.8818 30 T 4.4705 8.2030 110.3911 61.5480 70.4302 173.7631 31 V 4.9876 8.2461 122.2423 61.4730 34.4602 174.1339 32 D 4.8190 8.9984 126.0642 52.6169 43.0523 173.7528 33 G 4.6246 8.8037 105.2841 45.1963 0.0000 172.8982 34 T 4.9063 8.8826 115.3699 60.6104 71.2078 174.4378 35 R 4.4972 8.7278 124.1464 56.2997 30.8705 176.7462 36 D 4.5748 8.1648 119.7093 53.3401 39.6874 176.4255 37 R 3.8916 8.3588 125.3984 57.2913 30.3473 177.0656 38 S 4.3857 8.1310 110.8275 59.5070 63.7212 173.9396 39 D 4.5555 7.7196 121.7220 53.7163 41.5371 176.1361 40 Q 4.0222 8.4739 126.0739 58.7796 29.1974 176.6143 41 H 4.2704 8.2893 114.2406 57.4394 28.7233 176.3896 42 I 4.4229 7.3854 111.2928 60.6918 38.3412 175.4530 43 Q 4.6014 7.5572 121.6776 55.4869 30.2252 174.7570 44 F 5.2940 9.3435 121.7534 55.7348 43.5267 173.7984 45 Q 4.9564 9.3174 120.2770 54.3240 31.3904 174.6751 46 I 4.9036 8.4621 124.9491 59.9770 38.4899 175.1904 47 S 4.8974 8.7088 121.8552 55.5392 66.2221 171.9625 48 P 4.7713 0.0000 0.0000 62.7770 31.9390 175.5791 49 E 4.2677 9.0165 124.8335 54.6085 31.3376 175.4960 50 G 3.8578 8.8467 119.3596 46.8664 0.0000 173.5572 51 G 4.0061 8.8178 109.4245 45.4517 0.0000 173.6865 52 G 4.0549 7.9998 105.3391 44.5350 0.0000 171.8006 53 E 4.9220 7.6671 118.6371 54.6709 33.3080 175.0443 54 V 5.0677 8.9439 113.1138 59.9432 36.5066 174.8674 55 L 5.2975 9.0042 122.0151 53.2911 44.7367 176.0651 56 L 4.6313 8.7193 121.9222 53.2013 43.8580 174.8357 57 K 4.8896 8.9551 126.2477 54.0383 34.9762 175.1830 58 S 3.9939 9.0459 123.3434 58.5394 62.5726 174.8902 59 T 3.8461 8.2706 118.7592 64.6914 68.6241 175.7876 60 E 4.1558 8.1293 120.0182 57.4098 29.9835 176.9129 61 T 4.3126 7.5404 106.5329 60.2579 70.4059 175.4068 62 G 3.7509 8.1477 109.5536 45.4854 0.0000 173.5183 63 Q 4.3312 7.4853 118.9399 55.6655 30.2993 174.6966 64 Y 5.0319 8.9304 120.7916 56.5593 40.1727 174.9187 65 L 4.5649 9.0813 126.0792 55.2758 43.7240 175.6183 66 R 4.9709 9.1878 125.6072 54.7360 33.5637 173.6000 67 I 4.7156 8.1305 126.9847 59.7656 38.4587 175.6841 68 N 4.6064 9.1724 125.6050 51.8088 39.3735 174.7039 69 P 4.2076 0.0000 0.0000 65.7164 31.4425 177.2731 70 D 4.5296 8.0009 114.8380 53.5198 39.7184 177.0970 71 G 4.1598 8.4584 110.5322 45.1040 0.0000 173.8798 72 T 4.4359 8.2075 110.5145 61.5963 70.3545 173.7211 73 V 5.0632 8.2822 122.5316 61.4467 34.4258 174.0887 74 D 4.8002 9.0371 126.1790 52.5271 43.2522 173.7289 75 G 4.6310 8.7893 105.4221 45.1648 0.0000 173.0711 76 T 4.8706 8.9445 115.7307 60.5027 71.2982 174.2804 76A R 4.5732 8.6269 124.1817 56.0017 30.8125 176.3802 77 D 4.5636 8.2186 119.8420 53.3644 39.8932 176.7589 78 R 3.8625 8.4731 127.5282 58.3362 30.3059 177.2967 79 S 4.3895 8.2255 110.7692 58.7945 63.6248 174.0255 80 D 4.4109 7.7795 122.1593 54.7907 41.2831 175.8365 81 Q 4.3463 8.6401 123.6525 56.8452 29.4613 175.8216 82 H 4.6912 8.8719 116.0170 55.4610 29.0193 175.1455 83 I 4.8654 7.1460 110.9057 60.1133 38.5310 175.2372 84 Q 4.6742 7.5884 123.1807 55.1772 30.3803 174.6567 85 F 5.2950 9.4475 122.0846 55.7394 43.4837 173.8512 86 Q 4.9621 9.1924 120.4770 54.3238 31.3526 174.6928 87 I 4.9144 8.4499 124.9298 60.1166 38.5228 175.1106 88 S 4.8674 8.7166 122.2392 55.5666 65.4602 172.1597 89 P 4.7284 0.0000 0.0000 63.0137 31.3691 176.0226 90 E 4.4499 9.2270 120.2593 55.1536 31.7784 176.2535 91 G 3.7735 8.0144 108.0514 47.4942 0.0000 173.4423 92 G 3.7802 8.6195 112.3687 45.6560 0.0000 174.1343 93 G 3.9081 8.1885 105.1151 45.3172 0.0000 173.6453 94 E 4.9083 7.7098 118.9322 54.9904 31.8623 175.4367 95 V 5.0465 8.8823 115.4475 59.7482 36.5189 174.4417 96 L 5.2433 8.9641 122.2860 53.3586 44.5956 176.0410 97 L 4.8678 8.7041 121.9949 53.2053 43.7540 174.7475 98 K 4.8167 8.8666 126.2928 54.3231 34.6246 175.0368 99 S 4.1345 9.0040 123.7658 57.9382 62.5695 174.7539 100 T 3.6864 8.2015 118.9549 64.8784 68.4964 175.6278 101 E 3.9348 7.5182 122.3450 58.3075 29.6609 177.2131 102 T 4.3076 7.5282 104.9248 60.3802 70.2172 174.6683 103 G 3.5845 8.1154 110.8781 46.3795 0.0000 172.8387 *107 Q 4.5509 7.5142 117.3565 55.8412 30.7112 173.8031 108 Y 4.9177 8.9158 121.0695 56.7329 39.8846 174.9117 109 L 4.6088 9.1271 126.5309 55.4275 43.6350 175.6190 110 R 5.0294 9.3069 125.8400 54.6842 33.5871 173.6866 111 I 4.7730 8.2347 127.0005 59.6499 38.6731 175.6658 112 N 4.5105 9.1004 125.5224 51.8828 39.2969 174.6882 113 P 4.1627 0.0000 0.0000 65.7754 31.4266 177.3727 114 D 4.4717 7.9438 114.6806 53.8238 39.6583 177.0504 115 G 4.1059 8.4975 110.4549 45.0415 0.0000 173.7424 116 T 4.5112 8.2457 110.5717 61.4383 70.5297 173.7991 117 V 5.0351 8.2428 122.2677 61.4598 34.3919 174.1154 118 D 4.8250 9.0353 126.0854 52.6594 43.3298 173.7085 119 G 4.6151 8.9053 105.0509 44.7299 0.0000 172.7575 *123 T 4.7694 8.1218 115.6003 62.0769 68.8403 174.2831 123A R 4.4827 8.6435 124.1237 56.1730 30.7696 176.4545 124 D 4.6006 8.2908 120.0135 53.1186 39.9519 176.7037 125 R 3.6861 8.5286 127.1284 57.8289 30.3056 176.9936 126 S 4.5354 7.8325 110.4730 58.2293 63.5850 173.9498 127 D 4.3902 7.7792 121.6276 54.9979 41.3017 175.8511 128 Q 4.4475 8.4280 122.7119 55.8948 29.3145 175.7787 129 H 4.7511 9.2191 115.8479 55.4665 29.1595 174.8832 130 I 4.8636 7.5105 110.7977 60.1049 38.6670 175.0338 131 Q 4.6474 7.6694 123.2786 55.1839 30.2587 174.6534 132 F 5.0914 9.4143 122.4518 55.6159 43.2856 173.7280 133 Q 4.8695 9.2048 122.9876 54.5533 31.2310 174.1544 134 I 5.0557 8.4457 127.4369 59.9196 38.7742 175.1785 135 S 4.8014 8.8317 121.5997 55.5872 66.3670 171.8102 136 P 4.8213 0.0000 0.0000 62.6013 31.8234 176.2542 137 E 4.1852 8.3727 121.8574 56.4517 29.7831 175.9286 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 11 P 0.00 4.66 0.00 2.17 2.10 0.00 3.49 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 2.10 2.11 0.00 12 V 8.96 4.52 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 0.77 0.00 0.00 1.02 0.00 0.00 13 L 9.97 5.14 0.00 1.70 1.76 0.67 0.62 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 14 L 8.72 4.92 0.00 1.38 1.36 -0.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.89 4.82 0.00 1.77 1.62 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.50 7.81 16 S 8.84 4.06 0.00 3.49 3.48 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 17 T 8.28 3.77 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 1.14 0.00 0.00 18 E 7.58 3.97 0.00 1.85 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 1.92 2.19 0.00 19 T 7.56 4.34 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 1.23 0.00 0.00 20 G 8.11 3.72 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 0.00 0.00 0.00 21 Q 7.13 4.46 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 22 Y 8.98 4.92 0.00 3.13 2.96 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 23 L 9.08 4.66 0.00 1.87 1.61 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.19 4.91 0.00 1.99 2.08 0.00 3.22 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 25 I 7.86 4.75 1.80 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.93 0.00 0.00 26 N 8.97 4.60 0.00 2.88 2.66 0.00 0.00 6.57 8.04 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 27 P 0.00 4.25 0.00 2.01 2.11 0.00 3.56 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 1.99 2.09 0.00 28 D 7.99 4.51 0.00 2.76 2.76 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 0.00 0.00 0.00 29 G 8.51 4.26 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 0.00 30 T 8.20 4.47 4.26 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 1.27 0.00 0.00 31 V 8.25 4.99 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 0.96 0.00 0.00 1.02 0.00 0.00 32 D 9.00 4.82 0.00 2.98 2.77 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 0.00 0.00 0.00 33 G 8.80 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.91 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 1.34 0.00 0.00 35 R 8.73 4.50 0.00 1.88 2.01 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 36 D 8.16 4.57 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.89 0.00 1.79 1.88 0.00 3.28 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 0.00 38 S 8.13 4.39 0.00 4.01 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 39 D 7.72 4.56 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 40 Q 8.47 4.02 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 41 H 8.29 4.27 0.00 3.39 3.44 0.00 5.86 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 42 I 7.39 4.42 1.97 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.35 1.03 0.00 0.00 43 Q 7.56 4.60 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 44 F 9.34 5.29 0.00 3.08 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 45 Q 9.32 4.96 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 46 I 8.46 4.90 1.89 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 1.36 0.55 0.92 0.00 0.00 47 S 8.71 4.90 0.00 3.93 3.99 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 0.00 0.00 0.00 48 P 0.00 4.77 0.00 1.97 2.04 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 49 E 9.02 4.27 0.00 2.04 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 2.14 2.23 0.00 50 G 8.85 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 0.00 0.00 0.00 51 G 8.82 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 52 G 8.00 4.05 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 0.00 53 E 7.67 4.92 0.00 2.06 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 2.20 2.24 0.00 54 V 8.94 5.07 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 0.77 0.00 0.00 1.04 0.00 0.00 55 L 9.00 5.30 0.00 1.74 1.76 0.61 0.48 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 56 L 8.72 4.63 0.00 1.37 1.32 -0.27 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.96 4.89 0.00 1.86 1.61 0.00 1.21 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.95 0.21 7.81 58 S 9.05 3.99 0.00 3.52 3.65 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 59 T 8.27 3.85 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 1.15 0.00 0.00 60 E 8.13 4.16 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 61 T 7.54 4.31 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 1.20 0.00 0.00 62 G 8.15 3.75 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 0.00 0.00 0.00 63 Q 7.49 4.33 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 64 Y 8.93 5.03 0.00 3.13 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 65 L 9.08 4.56 0.00 1.89 1.63 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.19 4.97 0.00 1.99 2.08 0.00 3.17 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 1.65 1.76 0.00 67 I 8.13 4.72 1.82 0.00 0.00 1.00 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 0.88 0.94 0.00 0.00 68 N 9.17 4.61 0.00 2.93 2.68 0.00 0.00 6.57 7.59 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 69 P 0.00 4.21 0.00 2.01 2.12 0.00 3.56 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 1.97 2.11 0.00 70 D 8.00 4.53 0.00 2.76 2.77 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 0.00 0.00 0.00 71 G 8.46 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 72 T 8.21 4.44 4.26 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 1.27 0.00 0.00 73 V 8.28 5.06 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 1.02 0.00 0.00 1.02 0.00 0.00 74 D 9.04 4.80 0.00 2.96 2.77 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 0.00 0.00 0.00 75 G 8.79 4.63 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 0.00 76 T 8.94 4.87 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 1.39 0.00 0.00 76A R 8.63 4.57 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 77 D 8.22 4.56 0.00 2.80 2.63 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 78 R 8.47 3.86 0.00 1.84 1.95 0.00 2.92 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 79 S 8.23 4.39 0.00 4.00 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 80 D 7.78 4.41 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 4.35 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 82 H 8.87 4.69 0.00 3.33 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.15 4.87 1.94 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 1.09 0.00 0.00 84 Q 7.59 4.67 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 85 F 9.45 5.29 0.00 2.83 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 86 Q 9.19 4.96 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 87 I 8.45 4.91 1.89 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 1.37 0.53 0.92 0.00 0.00 88 S 8.72 4.87 0.00 3.93 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.73 0.00 1.97 2.04 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 90 E 9.23 4.45 0.00 2.03 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 2.22 2.33 0.00 91 G 8.01 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.62 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 0.00 0.00 0.00 93 G 8.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.71 4.91 0.00 1.92 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 2.31 2.31 0.00 95 V 8.88 5.05 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 0.78 0.00 0.00 1.03 0.00 0.00 96 L 8.96 5.24 0.00 1.72 1.72 0.62 0.49 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 97 L 8.70 4.87 0.00 1.37 1.34 -0.13 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.87 4.82 0.00 1.91 1.66 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.60 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.05 0.49 7.81 99 S 9.00 4.13 0.00 3.44 3.48 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 0.00 100 T 8.20 3.69 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 1.18 0.00 0.00 101 E 7.52 3.93 0.00 1.85 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 1.79 2.11 0.00 102 T 7.53 4.31 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 1.21 0.00 0.00 103 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 Q 7.51 4.55 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 108 Y 8.92 4.92 0.00 3.12 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 0.00 109 L 9.13 4.61 0.00 1.84 1.58 1.01 0.56 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 0.00 110 R 9.31 5.03 0.00 1.99 2.10 0.00 3.14 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 111 I 8.23 4.77 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.93 0.00 0.00 112 N 9.10 4.51 0.00 2.85 2.67 0.00 0.00 6.57 7.98 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 0.00 113 P 0.00 4.16 0.00 1.99 2.10 0.00 3.51 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 114 D 7.94 4.47 0.00 2.76 2.77 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 0.00 0.00 0.00 115 G 8.50 4.11 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 0.00 116 T 8.25 4.51 4.26 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 1.26 0.00 0.00 117 V 8.24 5.04 2.29 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 0.98 0.00 0.00 1.01 0.00 0.00 118 D 9.04 4.83 0.00 2.95 2.78 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 0.00 119 G 8.91 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.77 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 1.35 0.00 0.00 123A R 8.64 4.48 0.00 1.88 2.00 0.00 3.26 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 124 D 8.29 4.60 0.00 2.80 2.63 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 0.00 125 R 8.53 3.69 0.00 1.85 1.91 0.00 3.34 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 126 S 7.83 4.54 0.00 4.02 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 0.00 127 D 7.78 4.39 0.00 2.75 2.63 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 0.00 128 Q 8.43 4.45 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 129 H 9.22 4.75 0.00 3.20 3.40 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.51 4.86 1.98 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 1.08 0.00 0.00 131 Q 7.67 4.65 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 132 F 9.41 5.09 0.00 2.85 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 0.00 133 Q 9.20 4.87 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 134 I 8.45 5.06 1.89 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 1.36 0.74 0.92 0.00 0.00 135 S 8.83 4.80 0.00 3.91 3.97 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 0.00 136 P 0.00 4.82 0.00 1.97 2.05 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 137 E 8.37 4.19 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.