NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.2768 8.0544 120.6523 62.9377 32.6384 173.9758 4 E 4.5528 8.9092 129.7631 54.0240 32.0722 172.8742 5 I 5.0615 8.0970 127.1821 59.5105 39.7233 174.4583 6 K 4.6286 8.5895 124.6269 55.5192 36.3418 174.9681 7 R 4.5560 8.5745 121.8950 56.4001 30.9909 175.6616 8 V 4.2591 8.6609 126.9841 61.8734 32.4033 175.5671 9 D 4.9491 8.6141 127.9542 51.4385 41.6492 177.3003 10 K 3.1692 8.3744 117.6964 60.0411 32.4393 178.7275 11 H 4.2430 7.3857 114.7534 57.8205 28.7870 175.6166 12 H 4.8400 8.1395 116.2238 55.0443 29.7454 175.2855 13 C 3.6118 7.4303 118.3491 61.0804 28.9135 175.3921 14 L 4.1002 7.5657 119.7748 56.3348 41.0824 178.2550 15 D 4.5010 8.1383 119.1147 56.1912 41.0349 177.2845 16 L 4.4743 7.5922 118.5716 54.6318 41.9960 178.4156 17 V 3.6713 7.5328 119.7768 66.0307 31.6256 177.5769 18 G 3.8745 8.2534 104.8299 48.4012 0.0000 175.2241 19 I 3.9849 7.8834 120.9292 63.2490 38.0438 177.8640 20 F 3.9180 8.5450 119.1622 60.2050 38.7952 177.4822 21 I 3.7736 8.4038 120.0357 64.6161 36.9916 178.0269 22 E 4.0123 8.1765 119.5209 59.1942 29.3767 178.4706 23 L 3.2822 7.7003 120.3391 57.9672 41.8839 178.9048 24 E 4.1878 8.4526 118.6005 59.5093 29.4691 179.4736 25 R 3.9671 8.1338 118.1243 59.5783 29.9579 178.5874 26 Y 3.9178 8.0399 117.9158 59.9520 38.7802 176.5380 27 Y 4.2506 7.3958 115.6384 57.6691 39.5915 176.3094 28 F 5.1144 7.9987 116.2821 55.8592 42.0338 178.1104 29 G 3.9355 8.3970 111.6933 46.8721 0.0000 175.5900 30 D 4.4971 9.1429 126.4180 56.9055 41.3583 177.7911 31 K 4.3726 8.2940 115.6521 56.6067 31.7410 176.9511 32 A 4.2962 7.6161 122.9285 52.1950 18.7231 178.2199 33 A 4.1920 8.6156 125.8891 51.7711 19.2333 178.1842 34 S 4.5196 8.4457 115.4426 57.3069 65.5281 175.0473 35 E 3.9328 8.6770 121.9788 59.7917 29.2136 178.8276 36 Q 3.9888 8.0430 117.2139 59.0069 28.7719 178.0648 37 D 4.4301 7.7656 119.6723 57.7740 40.9148 179.2913 38 L 4.1051 8.2236 118.9331 57.7393 41.6122 179.4690 39 A 3.9569 8.3387 121.2086 55.0388 18.3081 179.2789 40 N 4.3254 8.4608 115.7725 56.8655 39.1068 176.3705 41 Y 4.2950 8.3720 121.2904 60.8376 38.8675 178.2717 42 L 3.7266 8.0575 119.6196 58.0124 41.5508 179.7306 43 S 4.0337 7.9038 113.4999 60.9682 62.8314 175.4864 44 H 4.9312 8.1172 114.7428 55.5613 29.7976 173.5699 45 Q 4.3242 7.6804 117.0208 57.3663 31.1542 176.6698 46 V 3.3579 7.5247 116.7675 65.1527 31.5856 176.3960 47 F 4.4594 7.7666 119.5092 55.1930 38.2596 174.4754 48 S 4.7007 7.4697 118.3137 56.1944 66.2050 175.8568 49 E 4.0415 8.7149 120.2373 59.0171 29.2552 177.7574 50 H 4.6339 7.3697 112.2808 55.4542 29.2491 175.3071 51 S 4.1830 7.5835 116.5494 58.2028 62.5838 174.0017 52 G 3.8292 8.5609 115.1237 46.1990 0.0000 173.5257 53 V 4.4554 7.1335 112.5903 59.6182 34.0103 175.4091 54 K 4.4047 7.9492 121.9796 54.5619 35.7316 175.2755 55 V 5.0237 8.1108 120.7788 61.2494 34.5273 174.1264 56 I 5.0871 8.9812 121.2073 59.3454 40.4276 174.4450 57 A 5.4248 9.0237 124.7821 50.2848 23.0681 174.6358 58 A 4.9902 8.9052 122.6387 50.5286 21.0431 176.3652 59 V 4.8932 8.8012 123.0460 61.1455 34.9696 174.2392 60 E 4.6376 8.7461 127.5841 54.9379 32.7090 174.9447 61 H 4.0316 9.3026 125.8071 57.3116 26.0525 174.8477 62 D 4.4586 8.3408 113.4545 54.6760 40.2202 172.4355 63 K 4.6052 7.5420 117.0569 54.2946 34.1727 175.6266 64 V 4.3532 8.3597 123.0831 62.8222 32.0864 175.4818 65 L 4.5343 8.9576 127.1566 54.8906 43.5564 176.3417 66 G 4.4403 7.8011 105.6792 46.4933 0.0000 171.6796 67 F 5.7380 8.4503 114.4936 55.8305 42.0361 172.9492 68 A 5.7620 9.5852 119.9499 49.8779 22.8328 175.1493 69 T 5.3978 8.7390 110.4963 60.2771 71.9551 172.6405 70 Y 5.4474 8.4575 120.8367 56.1470 41.9288 173.4260 71 T 4.9180 9.0669 114.3746 60.5922 71.0061 172.6212 72 I 4.6544 8.2326 124.5814 59.4733 40.4171 175.0807 *74 F 4.4298 8.4057 121.6207 56.7442 39.8070 173.3473 75 P 4.8170 0.0000 0.0000 62.6269 32.5359 174.4345 76 A 4.4603 7.8487 119.3544 50.7314 21.5988 174.1939 77 P 4.4304 0.0000 0.0000 63.2431 31.9716 176.5026 78 K 3.5554 8.8908 115.9994 58.5887 29.7912 175.4402 79 L 3.7143 8.2159 112.5574 55.6360 39.2086 173.2214 80 S 4.8561 7.7641 109.3421 56.9821 67.3792 174.6755 81 G 3.3531 8.7788 106.8299 45.6646 0.0000 173.3920 82 Q 5.0069 7.6158 122.5127 54.4345 32.1090 172.7188 *84 Y 5.3668 7.8993 116.6726 57.8680 39.6172 175.1299 *86 K 4.5961 8.6535 116.7657 56.5967 34.4005 177.2642 87 D 4.8871 7.9380 117.4757 52.5515 45.7589 174.2585 88 L 4.9680 8.4498 123.4326 53.1742 44.7793 175.2708 89 F 4.5306 8.6879 128.0832 56.2918 42.8432 173.0689 90 V 4.4247 7.0225 125.3409 60.4678 33.5953 175.0184 91 S 4.3193 9.0739 123.8018 58.3153 62.7659 175.3008 92 S 3.9674 9.3423 122.3085 61.3381 62.7665 175.9951 93 S 4.3931 8.0098 112.3040 58.9283 62.7957 173.9156 94 A 4.6334 8.1537 123.5194 51.7291 19.5411 176.1376 95 R 3.7977 7.3496 118.4374 58.6748 30.4566 177.0955 96 G 3.8705 8.7679 111.5042 45.8348 0.0000 173.8900 97 K 4.2658 7.5141 115.6356 55.3843 32.7959 176.9188 98 G 3.9125 8.0418 107.1051 46.8749 0.0000 176.0965 99 I 3.7190 7.8470 122.5632 63.9679 36.8421 178.0826 100 G 3.5541 7.8567 104.7060 47.7885 0.0000 174.8298 101 L 4.2307 7.8862 121.1157 57.9813 42.6265 178.4731 102 Q 4.2128 8.0740 117.9358 58.8916 28.6191 179.5307 103 L 3.9415 7.8892 116.5792 55.5590 41.5025 179.1390 *105 K 4.1947 7.9830 120.6479 56.8202 34.2715 177.6820 106 H 4.0291 8.1439 117.5718 59.2821 29.6883 177.1976 107 L 3.7254 7.9640 120.4695 57.7087 41.3646 179.3520 108 A 3.9588 7.7668 120.0976 55.4303 18.3284 179.6348 109 T 3.7600 7.8942 114.2005 66.7523 68.0874 176.8627 110 I 3.6611 7.7358 121.4410 64.2550 37.0522 178.0542 111 A 4.0260 8.3948 122.0758 55.4482 18.0048 179.8288 112 I 3.8307 7.7773 109.9725 63.6724 37.8726 177.5191 113 T 4.3220 7.6072 108.8903 62.4778 69.0741 174.5330 114 H 4.8368 7.5627 118.4205 55.5993 29.9774 172.7412 115 N 4.1684 8.1820 114.6360 54.7992 37.2679 172.8754 116 C 5.4098 8.1879 113.6381 57.5763 29.3551 174.4774 117 Q 4.3074 8.6338 123.0388 56.9664 29.0028 176.1694 118 R 4.6249 7.6073 116.0855 54.0864 33.9907 173.9545 119 L 4.7292 8.6406 123.2708 53.4028 44.0920 175.1388 120 D 4.9312 8.2998 125.1701 52.5379 44.0321 174.7669 121 W 4.0488 7.0718 116.7547 56.1869 30.2903 173.1118 122 T 4.4953 8.3057 107.5275 59.6723 70.9596 172.5972 123 A 4.9514 8.1129 123.6676 50.4277 22.6225 175.1556 124 E 4.5343 8.5056 118.8987 54.9044 30.6945 178.1848 125 S 4.1984 8.6633 118.3807 60.8587 63.3135 174.8738 126 T 4.3225 7.8121 109.9205 61.8464 69.4386 174.4110 127 N 5.0521 8.1463 119.8312 51.0840 38.9329 173.0744 128 P 4.2865 0.0000 0.0000 65.9033 31.8805 178.5006 129 T 3.9033 7.9837 107.9972 64.5883 68.4939 176.3331 130 A 3.8739 8.2584 123.9369 54.7996 18.4598 179.6110 131 G 3.8178 8.1814 103.7967 48.1166 0.0000 175.6045 132 K 3.9576 8.4129 121.8764 58.9912 31.9573 179.0305 133 F 4.1309 8.2974 120.7257 61.6084 39.2834 176.6848 134 Y 4.1723 7.8427 116.1057 61.1882 37.7996 178.7980 135 K 4.1752 8.3598 119.5950 59.6218 31.9485 179.4577 136 S 4.2529 7.9029 113.4558 60.3123 63.0435 175.4317 137 I 4.1964 6.7736 115.0280 60.3764 37.7752 176.0223 138 G 4.0497 7.6531 108.0683 45.4587 0.0000 174.1883 139 A 4.2905 7.8392 122.6502 51.7900 19.1436 177.4487 140 S 4.6583 8.1716 117.1083 56.5244 64.6639 173.9478 141 L 3.9476 8.3154 126.9824 54.7187 42.4262 176.5930 142 I 4.2006 7.8696 127.3694 59.6478 36.3918 176.3195 143 R 3.9340 8.2683 125.1318 58.9772 30.1936 178.3846 144 E 4.0906 8.0263 115.3859 57.6555 29.7528 176.7112 145 K 4.1483 7.6205 121.6902 55.8542 32.6616 175.5517 146 E 4.5062 8.6992 125.7211 54.5966 31.4155 174.5074 147 Y 4.3141 8.3323 124.8305 56.2710 39.7557 174.0752 148 Y 4.7675 7.9016 124.2412 56.3924 40.9372 175.0187 149 R 4.6951 8.2063 120.5515 55.1499 33.2493 174.0972 150 F 4.9630 8.6886 122.9197 55.8122 41.5465 174.5140 *151 E 4.6947 8.7772 120.8746 55.3968 33.6645 178.3881 152 G 3.8394 8.4164 109.5107 46.5041 0.0000 176.0321 153 N 4.5020 9.0102 121.7157 55.7856 38.1518 176.5990 154 G 3.7094 8.1177 106.8725 47.7074 0.0000 175.3782 155 L 3.8589 8.0584 122.9590 57.8024 42.1242 178.6441 156 N 4.2772 8.1879 116.4033 56.4928 38.4233 177.4988 157 K 3.9859 8.2739 119.8740 59.2105 31.8591 179.2068 158 L 3.7387 7.5384 119.5138 57.9747 42.2613 178.5477 159 A 4.0526 7.9170 120.6735 55.2198 18.1594 179.7957 160 K 4.0314 8.4306 115.7642 58.7519 32.1642 178.7940 161 S 4.3967 7.4101 112.6009 58.7702 63.3506 173.8914 162 L 4.0737 7.7254 129.9569 55.5762 41.8007 176.2241 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 3 V 8.05 4.28 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 0.92 0.00 0.00 0.95 0.00 0.00 4 E 8.91 4.55 0.00 2.06 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 2.21 2.36 0.00 5 I 8.10 5.06 1.76 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 1.39 1.03 0.75 0.00 0.00 6 K 8.59 4.63 0.00 1.83 1.87 0.00 1.31 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.40 7.81 7 R 8.57 4.56 0.00 1.97 1.96 0.00 3.31 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 8 V 8.66 4.26 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 0.79 0.00 0.00 1.01 0.00 0.00 9 D 8.61 4.95 0.00 2.96 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 10 K 8.37 3.17 0.00 1.76 2.12 0.00 1.41 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.00 7.81 11 H 7.39 4.24 0.00 3.10 3.22 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.14 4.84 0.00 3.11 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.43 3.61 0.00 2.32 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 14 L 7.57 4.10 0.00 1.62 1.68 0.86 1.03 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 15 D 8.14 4.50 0.00 2.68 2.73 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 0.00 0.00 0.00 16 L 7.59 4.47 0.00 1.57 1.50 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.53 3.67 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 1.01 0.00 0.00 0.91 0.00 0.00 18 G 8.25 3.87 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 0.00 0.00 0.00 19 I 7.88 3.98 2.09 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.63 1.20 0.00 0.00 20 F 8.55 3.92 0.00 3.38 3.18 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 0.00 21 I 8.40 3.77 2.16 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 1.49 1.16 0.98 0.00 0.00 22 E 8.18 4.01 0.00 2.19 2.24 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 2.59 2.45 0.00 23 L 7.70 3.28 0.00 0.55 1.38 0.60 0.70 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 24 E 8.45 4.19 0.00 2.31 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 2.60 2.65 0.00 25 R 8.13 3.97 0.00 2.08 2.03 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 26 Y 8.04 3.92 0.00 3.04 2.99 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 27 Y 7.40 4.25 0.00 1.71 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 0.00 0.00 0.00 28 F 8.00 5.11 0.00 3.18 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 29 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 30 D 9.14 4.50 0.00 2.75 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 31 K 8.29 4.37 0.00 2.00 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 32 A 7.62 4.30 1.40 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 0.00 0.00 0.00 33 A 8.62 4.19 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 34 S 8.45 4.52 0.00 4.08 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 35 E 8.68 3.93 0.00 2.08 2.02 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 2.40 2.44 0.00 36 Q 8.04 3.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 37 D 7.77 4.43 0.00 2.89 2.73 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 0.00 0.00 0.00 38 L 8.22 4.11 0.00 1.91 1.81 1.07 0.81 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 39 A 8.34 3.96 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 40 N 8.46 4.33 0.00 2.98 3.04 0.00 0.00 6.82 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 41 Y 8.37 4.30 0.00 3.13 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 42 L 8.06 3.73 0.00 1.73 1.54 0.62 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.90 4.03 0.00 3.70 3.60 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 44 H 8.12 4.93 0.00 3.13 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.68 4.32 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 46 V 7.52 3.36 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 0.30 0.00 0.00 0.26 0.00 0.00 47 F 7.77 4.46 0.00 3.04 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 48 S 7.47 4.70 0.00 3.86 3.87 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 49 E 8.71 4.04 0.00 2.00 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 0.00 2.32 2.25 0.00 50 H 7.37 4.63 0.00 3.22 3.40 0.00 5.55 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.58 4.18 0.00 3.88 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 52 G 8.56 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 53 V 7.13 4.46 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 0.70 0.00 0.00 0.77 0.00 0.00 54 K 7.95 4.40 0.00 0.82 1.54 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.07 7.81 55 V 8.11 5.02 2.22 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 1.28 0.00 0.00 0.70 0.00 0.00 56 I 8.98 5.09 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 1.45 0.79 1.10 0.00 0.00 57 A 9.02 5.42 1.33 0.00 0.00 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0.00 0.00 75 P 0.00 4.82 0.00 2.25 2.16 0.00 3.85 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 2.02 2.00 0.00 76 A 7.85 4.46 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 77 P 0.00 4.43 0.00 2.20 1.99 0.00 3.76 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 2.12 2.12 0.00 78 K 8.89 3.56 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 79 L 8.22 3.71 0.00 1.78 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.76 4.86 0.00 4.28 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 81 G 8.78 3.35 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 82 Q 7.62 5.01 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 *84 Y 7.90 5.37 0.00 3.10 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 *86 K 8.65 4.60 0.00 2.06 2.02 0.00 1.92 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.69 7.81 87 D 7.94 4.89 0.00 2.82 2.39 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 88 L 8.45 4.97 0.00 1.48 1.47 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.69 4.53 0.00 2.67 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 0.00 0.00 0.00 90 V 7.02 4.42 1.62 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 0.59 0.00 0.00 0.69 0.00 0.00 91 S 9.07 4.32 0.00 3.99 3.74 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 92 S 9.34 3.97 0.00 3.97 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 93 S 8.01 4.39 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.69 1.63 7.81 136 S 7.90 4.25 0.00 4.01 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 0.00 137 I 6.77 4.20 1.73 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 1.45 0.57 0.58 0.00 0.00 138 G 7.65 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 0.00 139 A 7.84 4.29 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.17 4.66 0.00 3.78 3.73 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 0.00 0.00 0.00 141 L 8.32 3.95 0.00 1.53 1.53 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.87 4.20 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.87 0.00 0.00 143 R 8.27 3.93 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 144 E 8.03 4.09 0.00 1.95 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 2.31 2.29 0.00 145 K 7.62 4.15 0.00 1.80 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.48 7.81 146 E 8.70 4.51 0.00 2.04 1.54 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 2.18 2.27 0.00 147 Y 8.33 4.31 0.00 2.87 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 0.00 148 Y 7.90 4.77 0.00 2.86 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 0.00 149 R 8.21 4.70 0.00 1.89 1.83 0.00 3.29 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 150 F 8.69 4.96 0.00 3.08 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 *151 E 8.78 4.69 0.00 2.14 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 2.26 2.36 0.00 152 G 8.42 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 0.00 153 N 9.01 4.50 0.00 2.81 2.91 0.00 0.00 6.72 7.58 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 0.00 154 G 8.12 3.71 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 0.00 0.00 0.00 155 L 8.06 3.86 0.00 1.98 1.89 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.19 4.28 0.00 2.97 2.85 0.00 0.00 7.06 7.14 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 0.00 157 K 8.27 3.99 0.00 1.93 1.86 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.69 7.81 158 L 7.54 3.74 0.00 0.99 1.41 0.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.92 4.05 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 0.00 160 K 8.43 4.03 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 161 S 7.41 4.40 0.00 3.95 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 0.00 162 L 7.73 4.07 0.00 1.59 1.68 0.89 0.72 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 * Residues marked with a * may have inaccurate shift predictions.