NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4120 8.3144 122.0578 56.2975 32.1147 175.1553 3 K 4.1283 8.6453 125.0803 55.7132 33.8005 175.5802 4 I 4.4135 9.2122 129.1736 61.2376 38.6880 174.6406 5 I 4.6015 8.5453 126.2837 59.5811 39.3527 174.9543 6 E 4.9411 8.6569 126.5827 54.9955 32.3713 174.1984 7 T 4.6881 9.2873 120.3806 61.0337 70.6583 173.3078 8 Q 4.4423 8.5082 123.5656 56.2303 29.3838 176.8383 9 R 4.1727 7.9208 116.5575 56.9484 30.5780 176.1785 10 A 5.0226 7.4942 119.7561 49.1034 22.0044 174.1032 11 P 4.4034 0.0000 0.0000 62.2372 32.0408 177.1375 12 G 3.6716 8.4285 109.8816 44.9505 0.0000 173.2101 13 A 3.7604 8.3911 123.7406 52.3945 18.4209 178.0275 14 I 4.1085 8.4734 119.3904 59.2438 38.1087 175.9335 15 G 4.0779 7.0647 109.2647 45.5502 0.0000 172.1071 16 P 4.5513 0.0000 0.0000 60.9874 29.6718 174.8960 17 Y 4.9037 6.6393 118.8046 56.4315 41.3158 175.6845 18 V 4.2962 8.1694 114.3915 60.2316 33.5970 176.3472 19 Q 4.3584 8.8215 121.9119 59.2472 29.6281 176.6340 20 G 4.6940 7.8708 103.4936 45.1700 0.0000 172.3350 21 V 5.0587 8.8834 119.6737 59.6911 35.1776 173.9199 22 D 5.1918 9.5979 123.6814 52.8684 42.8796 176.2268 23 L 4.3467 9.0922 126.3707 54.7146 42.3481 177.4172 24 G 4.4660 8.3228 114.7280 45.6723 0.0000 175.3490 25 S 4.5531 7.9948 114.9146 60.0188 64.6923 172.9046 26 M 5.1897 7.7858 115.9784 53.9841 34.8567 173.7627 27 V 4.8839 8.7149 119.6132 61.2430 34.9674 173.9942 28 F 5.2798 9.3130 126.7803 56.0186 41.1732 174.9381 29 T 5.1250 8.3130 113.6821 59.9512 70.8391 174.6842 30 S 4.3636 8.6444 119.6357 58.1266 63.9873 174.4100 31 G 3.9367 8.3989 108.9159 46.4162 0.0000 172.8969 32 Q 4.8451 9.4470 125.3893 54.4232 30.7600 175.0528 33 I 4.9393 8.1920 116.8998 57.5702 40.3003 174.4907 34 P 4.6701 0.0000 0.0000 62.6447 30.4452 174.5928 35 V 4.4411 6.9837 124.1259 63.0230 31.2964 174.7959 *37 P 4.4429 0.0000 0.0000 63.1239 33.0286 178.4971 38 Q 4.1521 8.0505 115.4919 57.8921 28.3617 179.4207 39 T 4.1509 7.8432 107.6617 61.5462 69.6470 175.9821 40 G 3.8514 8.3999 111.1511 46.3947 0.0000 173.4083 41 E 4.5784 7.6654 115.0002 54.1413 31.3376 179.5531 42 I 4.8891 8.2237 121.2713 57.8945 38.7506 174.2901 43 P 4.4030 0.0000 0.0000 62.4401 32.0680 176.4689 44 A 4.0772 8.5905 124.0659 55.2718 18.8020 178.5341 45 D 4.6004 7.8671 114.9971 53.8601 43.3787 177.5166 46 V 3.7061 8.4911 128.2185 65.3735 31.6218 179.0492 47 Q 4.0434 8.2560 121.4440 60.4303 27.7681 182.2307 48 D 4.5978 7.8695 120.1402 56.9609 41.1877 178.5703 49 Q 3.9841 8.2799 118.5003 59.0899 28.6842 179.1593 50 A 3.9809 8.0681 121.4994 55.0496 18.4362 179.4817 51 R 3.7652 7.7902 116.7953 59.5537 30.1498 178.4928 52 L 3.9124 8.1881 120.2057 58.3171 42.1557 178.8522 53 S 4.1280 8.4278 115.5172 61.8231 62.6931 176.9180 54 L 3.6326 7.5352 121.0718 57.6123 41.2086 179.3817 55 E 4.0861 8.0369 118.5794 59.4433 29.3606 179.2100 56 N 4.4014 8.1548 116.6529 56.1061 38.6585 177.6729 57 V 3.6625 7.8033 119.6554 65.8238 31.5902 177.8475 58 K 3.8747 8.3891 119.5486 59.6166 31.9612 178.2058 59 A 3.9211 8.4598 121.2783 55.6444 18.0885 179.7346 60 I 3.7502 7.4822 116.5761 64.1767 37.2649 178.8867 61 V 3.6240 7.6950 119.1793 65.9356 31.3723 178.3727 62 V 4.4056 8.9444 119.9384 65.4460 31.1273 177.8650 63 A 4.0178 8.1894 119.7373 54.5435 18.2896 178.6395 64 A 4.2565 7.6378 117.4904 52.6290 18.5711 178.0520 65 G 3.7870 8.1804 105.5142 45.7132 0.0000 173.0252 66 L 4.8115 7.7950 119.3539 52.3794 45.1117 174.8905 67 S 4.9786 8.7575 113.4187 56.1314 66.1029 175.1332 68 V 3.5368 8.2591 119.0125 65.9701 31.0998 177.6226 69 G 3.8616 7.9779 106.2538 47.1212 0.0000 173.5613 70 D 4.5743 7.9672 119.5424 54.8883 41.5079 176.3735 71 I 4.3031 7.6322 121.6753 61.4879 37.3333 175.5123 72 I 4.4469 8.6528 118.8991 60.9435 40.3655 175.4678 73 K 5.0674 7.7573 123.9089 55.4953 35.6320 174.3955 74 M 5.4502 9.1402 126.1799 53.8735 36.5304 174.3559 75 T 4.8087 8.4607 117.8906 61.7322 71.6569 173.4107 76 V 4.3131 8.5804 127.0981 61.3982 33.4188 174.1613 77 F 5.3811 9.1544 128.6116 56.0360 40.7505 175.3824 78 I 5.2588 8.9726 117.2107 59.5170 40.7715 176.0166 79 T 4.7281 8.5684 112.0313 62.4115 70.8986 174.0582 80 D 4.6766 7.7765 122.1767 52.7446 43.5646 175.5094 81 L 4.1105 8.8737 127.9096 57.3139 41.9458 179.2365 82 N 4.3688 8.0755 115.4935 56.5759 38.6384 176.2717 83 D 4.6162 8.2218 116.2741 55.1623 40.8209 178.1219 84 F 4.3078 8.2429 122.5739 61.4308 39.5743 176.6164 85 A 3.7588 8.0734 119.8100 55.4050 18.1334 179.5619 86 T 3.7420 7.7806 113.4783 66.8558 68.7839 176.4344 87 I 3.7065 7.8302 121.7564 64.9333 37.2135 178.2144 88 N 4.1926 8.1802 119.2839 56.7356 38.1206 178.0744 89 E 3.9894 8.0679 119.7838 61.0874 29.8545 182.3938 90 V 3.8560 7.7434 118.9871 65.7695 31.6602 177.5030 91 Y 4.1968 8.0859 119.2590 60.0415 38.6177 177.3428 92 K 4.0952 8.3044 120.7339 59.7150 32.4463 178.3241 93 Q 4.0510 8.4183 120.0487 59.4754 28.6801 178.5093 94 F 4.1179 8.4049 121.4006 61.3227 39.3398 177.2382 95 F 3.8452 8.4348 117.0359 60.6105 38.8094 177.4341 96 D 4.4151 8.8317 118.9776 57.4429 40.3604 178.6937 97 E 3.9736 8.1540 118.3707 58.9579 29.3935 178.0578 98 H 4.4575 7.0771 113.3077 54.9099 30.0821 175.8600 99 Q 3.0585 7.2968 118.4381 57.1901 26.3620 174.4718 100 A 4.7780 7.9373 122.3558 50.0632 21.6115 177.4032 101 T 3.6846 8.2027 112.5863 61.1742 69.5893 173.9895 102 Y 3.7879 7.3657 121.5397 57.4760 38.3430 174.4833 103 P 4.6256 0.0000 0.0000 62.1116 32.7177 176.0164 104 T 4.1388 8.3709 111.3896 62.6170 69.8822 173.2027 105 R 5.6996 8.0433 120.3684 56.3790 33.0939 173.9554 106 S 4.8887 8.5568 120.5278 56.9665 66.7248 172.6853 107 C 5.6025 8.2386 121.7904 57.5186 34.0854 173.4175 108 V 4.4968 8.2478 118.4272 59.4818 35.8609 174.2969 109 Q 4.7639 8.6034 124.9455 55.5093 29.6236 175.6200 110 V 4.2941 8.8076 120.4004 59.7715 33.5761 176.5597 111 A 4.0931 8.5766 124.1243 55.1553 18.4279 177.8809 112 R 4.5845 7.2830 111.5724 55.4721 32.9682 173.6017 113 L 4.8154 7.9611 121.5399 51.7049 45.3745 174.2941 114 P 4.2026 0.0000 0.0000 64.5266 31.6200 176.9153 115 K 3.8989 9.3190 119.5956 56.7560 29.5899 175.1931 116 D 4.4755 8.4098 116.4595 55.3041 38.7327 174.7375 117 V 3.8900 7.1270 110.1150 61.4139 32.3147 176.8528 118 K 4.4758 9.8070 121.3501 57.7292 32.8739 176.5421 119 L 5.0531 7.5814 117.9354 55.1588 43.1476 173.9296 120 E 4.9903 9.3249 120.4279 54.9736 33.6782 173.6960 121 I 5.6041 9.1138 127.1150 58.6243 40.4162 174.4331 122 E 5.1057 8.9327 124.4938 54.7922 32.6977 174.5758 123 A 5.3006 8.4776 121.6411 50.5899 23.6405 175.0987 124 I 4.7523 8.6516 118.7407 59.6170 41.2408 174.5821 125 A 5.1824 8.7475 128.4482 50.1993 22.0792 175.3345 126 V 4.6684 8.3676 113.5210 59.6618 33.7736 176.4962 127 R 4.0507 8.9198 125.2990 59.0927 30.4347 176.7860 128 S 4.2633 7.7503 117.5732 58.6737 63.8734 173.7668 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 K 8.31 4.41 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 3 K 8.65 4.13 0.00 2.00 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.36 7.81 4 I 9.21 4.41 1.89 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 1.37 0.67 0.94 0.00 0.00 5 I 8.55 4.60 1.92 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 1.14 0.63 0.97 0.00 0.00 6 E 8.66 4.94 0.00 2.18 1.77 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 2.18 1.86 0.00 7 T 9.29 4.69 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 1.32 0.00 0.00 8 Q 8.51 4.44 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 9 R 7.92 4.17 0.00 1.84 1.99 0.00 3.10 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 10 A 7.49 5.02 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 11 P 0.00 4.40 0.00 2.11 2.03 0.00 3.73 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 2.06 2.27 0.00 12 G 8.43 3.67 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 0.00 0.00 0.00 13 A 8.39 3.76 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 14 I 8.47 4.11 1.92 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 1.61 0.82 0.97 0.00 0.00 15 G 7.06 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.55 0.00 2.21 2.09 0.00 3.87 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 2.04 1.96 0.00 17 Y 6.64 4.90 0.00 3.04 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 18 V 8.17 4.30 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 0.76 0.00 0.00 1.07 0.00 0.00 19 Q 8.82 4.36 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 20 G 7.87 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.88 5.06 2.14 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 0.82 0.00 0.00 1.01 0.00 0.00 22 D 9.60 5.19 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.09 4.35 0.00 1.87 1.77 1.14 1.01 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 G 8.32 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.55 0.00 3.93 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 26 M 7.79 5.19 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 27 V 8.71 4.88 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 1.00 0.00 0.00 0.99 0.00 0.00 28 F 9.31 5.28 0.00 3.09 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 29 T 8.31 5.13 4.29 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 1.25 0.00 0.00 30 S 8.64 4.36 0.00 3.80 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 31 G 8.40 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 32 Q 9.45 4.85 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 33 I 8.19 4.94 1.89 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 1.42 0.65 0.91 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.44 0.00 3.69 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 2.08 2.07 0.00 35 V 6.98 4.44 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 0.86 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.44 0.00 2.20 2.04 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.35 0.00 38 Q 8.05 4.15 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.03 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 39 T 7.84 4.15 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 1.22 0.00 0.00 40 G 8.40 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 41 E 7.67 4.58 0.00 1.96 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 2.19 2.13 0.00 42 I 8.22 4.89 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 1.11 2.04 0.97 0.00 0.00 43 P 0.00 4.40 0.00 2.16 2.06 0.00 3.61 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 1.99 2.09 0.00 44 A 8.59 4.08 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 45 D 7.87 4.60 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 46 V 8.49 3.71 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 0.84 0.00 0.00 1.02 0.00 0.00 47 Q 8.26 4.04 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 48 D 7.87 4.60 0.00 2.84 2.74 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 49 Q 8.28 3.98 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 50 A 8.07 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.77 0.00 2.07 2.11 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 52 L 8.19 3.91 0.00 1.87 1.83 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.43 4.13 0.00 3.83 4.03 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 54 L 7.54 3.63 0.00 1.20 0.13 0.57 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.04 4.09 0.00 2.13 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 2.62 2.53 0.00 56 N 8.15 4.40 0.00 2.97 3.06 0.00 0.00 6.62 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.80 3.66 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 1.00 0.00 0.00 0.95 0.00 0.00 58 K 8.39 3.87 0.00 2.09 2.08 0.00 1.47 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.45 7.81 59 A 8.46 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 3.75 2.02 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 1.46 1.17 1.00 0.00 0.00 61 V 7.69 3.62 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 1.02 0.00 0.00 0.99 0.00 0.00 62 V 8.94 4.41 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 0.89 0.00 0.00 1.02 0.00 0.00 63 A 8.19 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.64 4.26 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 G 8.18 3.79 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 0.00 0.00 0.00 0.00 66 L 7.80 4.81 0.00 1.84 1.71 0.92 0.76 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 67 S 8.76 4.98 0.00 3.91 3.93 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 68 V 8.26 3.54 1.78 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 0.39 0.00 0.00 0.48 0.00 0.00 69 G 7.98 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 70 D 7.97 4.57 0.00 2.89 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 71 I 7.63 4.30 2.29 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 1.10 0.00 0.00 72 I 8.65 4.45 1.85 0.00 0.00 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 1.06 0.85 0.97 0.00 0.00 73 K 7.76 5.07 0.00 1.84 1.60 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.53 7.81 74 M 9.14 5.45 0.00 2.10 2.06 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 2.64 2.59 0.00 75 T 8.46 4.81 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 0.20 0.00 0.00 76 V 8.58 4.31 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 1.01 0.00 0.00 0.96 0.00 0.00 77 F 9.15 5.38 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 78 I 8.97 5.26 1.93 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 1.44 0.97 0.99 0.00 0.00 79 T 8.57 4.73 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 1.28 0.00 0.00 80 D 7.78 4.68 0.00 2.65 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 81 L 8.87 4.11 0.00 1.78 1.64 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.08 4.37 0.00 2.85 2.92 0.00 0.00 7.02 7.63 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 83 D 8.22 4.62 0.00 2.94 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 84 F 8.24 4.31 0.00 3.17 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 85 A 8.07 3.76 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 86 T 7.78 3.74 4.42 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 1.22 0.00 0.00 87 I 7.83 3.71 1.88 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 1.56 1.29 0.94 0.00 0.00 88 N 8.18 4.19 0.00 2.59 2.56 0.00 0.00 7.22 7.19 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 89 E 8.07 3.99 0.00 2.01 1.95 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 2.24 2.18 0.00 90 V 7.74 3.86 2.28 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 0.99 0.00 0.00 1.00 0.00 0.00 91 Y 8.09 4.20 0.00 3.18 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 92 K 8.30 4.10 0.00 2.05 2.00 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.76 1.24 7.81 93 Q 8.42 4.05 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 94 F 8.40 4.12 0.00 3.14 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 95 F 8.43 3.85 0.00 3.55 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.83 4.42 0.00 2.98 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 97 E 8.15 3.97 0.00 2.07 1.71 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 2.24 2.30 0.00 98 H 7.08 4.46 0.00 2.88 3.13 0.00 5.92 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.30 3.06 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 100 A 7.94 4.78 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.68 4.07 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 1.10 0.00 0.00 102 Y 7.37 3.79 0.00 2.95 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 0.00 103 P 0.00 4.63 0.00 1.91 2.07 0.00 2.93 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 104 T 8.37 4.14 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 1.20 0.00 0.00 105 R 8.04 5.70 0.00 1.78 1.71 0.00 2.61 0.00 0.00 3.52 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 106 S 8.56 4.89 0.00 3.64 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 5.60 0.00 2.91 2.74 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 0.00 108 V 8.25 4.50 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 0.69 0.00 0.00 1.11 0.00 0.00 109 Q 8.60 4.76 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 110 V 8.81 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 0.77 0.00 0.00 1.06 0.00 0.00 111 A 8.58 4.09 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 0.00 112 R 7.28 4.58 0.00 1.72 1.73 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 113 L 7.96 4.82 0.00 1.87 1.48 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.20 0.00 2.16 2.02 0.00 3.78 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 2.06 2.10 0.00 115 K 9.32 3.90 0.00 1.92 1.92 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.46 7.81 116 D 8.41 4.48 0.00 2.82 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 0.00 117 V 7.13 3.89 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 0.68 0.00 0.00 1.06 0.00 0.00 118 K 9.81 4.48 0.00 1.82 1.87 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.24 7.81 119 L 7.58 5.05 0.00 1.79 1.64 0.97 0.56 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 0.00 120 E 9.32 4.99 0.00 2.05 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 2.40 2.38 0.00 121 I 9.11 5.60 1.89 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 0.99 0.65 0.98 0.00 0.00 122 E 8.93 5.11 0.00 2.13 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 2.38 2.35 0.00 123 A 8.48 5.30 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 0.00 124 I 8.65 4.75 1.70 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 0.65 0.63 0.34 0.00 0.00 125 A 8.75 5.18 1.19 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 0.00 126 V 8.37 4.67 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 0.64 0.00 0.00 0.92 0.00 0.00 127 R 8.92 4.05 0.00 1.81 1.95 0.00 3.21 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 128 S 7.75 4.26 0.00 3.84 3.67 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 * Residues marked with a * may have inaccurate shift predictions.