NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6510 8.4444 116.3548 55.2014 30.4207 172.1221 *2 L 4.2525 7.5801 121.7638 55.3374 43.3981 175.0172 3 L 5.1723 9.0262 127.9080 53.9138 45.1274 174.9241 4 T 4.7911 8.6761 118.7714 61.4137 71.6931 171.6188 5 T 5.2747 8.1759 112.8963 59.2151 71.8087 173.8504 6 S 4.4173 8.6788 116.4163 58.0682 64.2644 174.2957 7 R 3.9732 8.4962 119.7272 57.4600 30.8847 177.0252 8 K 3.8178 8.5302 119.4188 56.9859 29.1749 173.3323 9 P 4.6898 0.0000 0.0000 61.9954 33.0992 177.6440 10 S 4.4521 9.1696 115.9827 57.7981 65.0662 174.9953 11 Q 4.0041 8.6911 122.5467 59.6635 28.5052 178.7094 12 R 4.0556 8.0163 118.9027 59.8216 30.2589 178.4261 13 T 4.0520 8.0422 115.5660 66.6148 68.3483 176.7498 14 R 4.0324 8.2665 119.9476 59.4806 30.1408 179.1065 15 S 4.1158 8.4067 114.9798 61.6531 62.8360 176.4631 16 F 3.6594 8.5913 123.4200 61.6015 39.1157 177.4432 17 S 3.9540 8.3221 114.5080 61.3440 62.6488 176.6751 18 Q 3.2600 7.9781 121.0816 58.7132 28.3960 178.7473 19 R 3.6422 7.6979 119.0458 59.3754 29.9163 178.8253 20 L 3.4518 7.2969 118.6620 57.9463 42.2811 178.8427 21 S 4.2741 7.9932 114.2720 61.3023 62.7521 176.6875 22 R 3.8316 7.5338 120.8738 59.0003 29.9950 179.3929 23 I 3.5728 7.2898 115.3761 62.1596 36.5041 177.1141 *25 G 3.9503 7.8324 107.2194 45.0164 0.0000 173.2423 26 W 4.8984 7.7475 119.2111 55.4073 30.5606 176.5977 27 R 4.1622 8.7295 124.0981 56.6527 30.7767 174.1931 28 Y 5.3431 8.7376 127.8092 56.0346 40.3783 174.4895 29 I 4.4862 7.3773 119.3292 58.6300 40.6081 175.1864 30 N 4.3398 8.4927 121.8985 53.2189 39.1017 175.5667 31 R 3.9627 8.6727 122.6806 57.4376 31.6274 178.7782 32 G 3.6972 7.5255 104.9189 46.6484 0.0000 176.2405 33 K 4.2305 8.5641 127.8425 54.0158 32.4664 175.6172 *35 S 4.2528 8.0611 118.6371 57.5512 65.3828 174.1035 36 L 3.8972 8.2402 123.3444 58.3683 41.7613 178.9089 37 R 3.8543 8.0073 118.0439 59.8280 29.9724 178.0953 38 D 4.3963 8.1237 118.3812 56.9835 40.7419 178.8752 39 V 3.5427 7.8911 119.0694 66.0581 31.5110 178.1575 40 L 3.9902 8.1650 118.8155 57.5971 41.1674 179.4928 41 I 3.6671 7.5598 119.2094 64.4525 37.1474 177.7812 42 E 4.0330 7.9506 118.6242 59.1127 29.4984 178.3818 43 A 4.0178 8.1107 120.2839 53.0805 19.3389 177.7224 44 R 3.5910 7.9615 114.9554 55.7113 28.3491 175.1010 45 G 4.0671 7.2346 103.7697 45.3970 0.0000 170.4966 46 P 4.8039 0.0000 0.0000 62.8375 31.9698 176.8383 47 V 4.7099 8.5154 114.9427 59.4745 36.1286 174.3195 48 A 4.8288 8.5523 124.7131 49.9678 21.9969 175.3911 49 V 4.6981 8.2873 121.7080 60.9910 34.3858 174.6828 50 V 4.6456 9.0146 129.7778 62.4010 32.3572 175.1506 51 S 5.3201 9.1468 123.3392 56.1879 65.9050 172.8033 52 E 5.7623 8.5172 118.8450 53.9946 33.0103 175.7402 53 R 4.4505 7.8762 118.9061 55.9199 33.2477 175.6631 54 H 4.2065 9.7090 119.1791 56.9478 26.2096 175.9859 55 G 3.9772 8.5575 106.1737 45.4378 0.0000 173.6896 56 N 4.9225 7.5932 117.6486 50.1415 40.5374 172.6919 57 P 4.6640 0.0000 0.0000 63.2189 31.8630 175.8389 58 A 4.5688 8.8561 121.1735 50.4486 22.0096 175.5611 59 R 5.3607 7.9657 114.6009 55.1700 34.1765 173.7477 60 I 4.9759 9.2847 126.8522 59.9960 39.8099 174.4586 61 T 5.0642 8.6978 124.4761 61.9431 70.8465 173.5647 62 F 5.1124 9.4528 125.3053 55.7564 41.5298 174.7115 63 L 5.3708 9.2626 124.0172 52.8293 45.0184 176.4608 64 D 4.9663 9.1527 122.8501 52.0235 40.7492 177.1702 65 E 4.2706 8.8868 116.4156 58.4403 29.3972 177.8866 66 R 4.1922 8.0338 113.8860 55.9643 29.8272 177.1526 67 G 3.9305 8.5022 107.8490 45.2427 0.0000 174.2716 68 G 3.6119 7.9924 109.1521 45.1530 0.0000 172.7298 69 E 4.7780 8.5750 124.2258 54.9574 30.0877 176.4106 70 R 4.0602 9.2953 127.5701 56.8507 30.6042 177.3430 71 G 4.2298 7.2890 104.6286 45.9286 0.0000 169.7053 72 Y 5.6671 7.8218 116.1299 56.0692 41.8113 173.8481 73 I 5.2880 9.4147 121.3688 59.7437 40.8809 174.4179 74 L 5.4985 9.2031 127.1724 53.4778 43.6492 175.6771 75 F 5.5204 9.1894 117.4659 56.2332 42.1061 172.4069 76 N 4.8578 8.9542 116.7197 50.6095 41.3769 172.8741 77 P 5.0582 0.0000 0.0000 62.6954 33.3176 175.8482 78 S 4.6317 8.8933 115.6349 56.8709 65.2224 172.5998 79 F 5.5190 8.2727 121.5221 54.2919 40.5485 173.0022 80 E 4.6967 9.1644 127.7177 55.8561 30.6147 179.2907 *82 K 4.1265 8.7383 128.8928 56.4784 32.8319 174.7540 83 K 4.0457 8.5771 127.0518 55.7746 32.7151 174.5459 84 P 4.3003 0.0000 0.0000 62.7730 32.3714 175.8747 85 E 4.3138 8.7135 124.8283 55.2807 30.1288 174.4776 86 L 5.2264 8.3008 126.0005 52.8944 44.7318 176.7105 87 A 4.4705 9.3101 124.2055 52.0854 19.8578 175.8804 88 D 4.4817 7.3973 113.0989 52.5347 44.0306 174.8775 89 K 3.7924 8.5724 121.5179 57.2399 32.7274 178.2290 90 A 4.6228 8.2250 128.5151 50.6124 17.1805 177.2993 91 V 4.4319 7.4952 111.9479 60.5204 33.6545 176.8011 92 R 5.3072 7.9330 120.2267 54.5707 33.3597 175.2912 93 V 5.0574 8.5783 120.0023 60.1663 34.5299 176.5911 94 S 4.3632 9.0380 117.8489 61.1372 63.6685 174.5735 95 S 4.4797 7.3673 110.4641 57.9364 64.4649 176.6911 96 C 4.6240 8.5609 124.9987 53.8361 41.2450 171.9790 97 P 4.4980 0.0000 0.0000 61.5856 31.5545 174.6136 98 P 4.9845 0.0000 0.0000 63.9935 31.5351 177.0237 99 G 4.2948 9.4005 112.0122 45.4592 0.0000 174.5551 100 S 4.0458 7.8390 113.3903 57.7810 63.5593 175.4370 101 E 3.8912 8.1635 123.2743 59.8990 29.0655 179.2255 102 G 3.6165 7.9948 105.0262 47.4415 0.0000 175.3929 103 L 3.3750 6.2786 120.1250 57.8296 41.8044 178.7688 104 C 4.2425 7.6218 115.5675 59.9108 39.9394 175.8187 105 N 4.2036 7.7291 117.0321 56.1152 38.1614 177.7681 106 L 3.6738 7.4076 115.3156 55.2965 41.3780 177.7669 *108 G 3.7232 7.9092 106.5120 45.2304 0.0000 173.4270 109 L 4.7280 7.9553 119.5279 53.7919 42.9750 176.6214 110 E 4.7213 9.1249 120.6830 54.2346 32.3065 175.4333 111 V 4.1745 8.3333 123.0956 63.1600 32.4692 174.7538 112 D 4.6234 8.9727 127.3096 53.0858 43.2775 174.6739 113 E 4.4637 8.9784 125.1522 56.4538 30.2571 177.5614 114 S 4.3487 8.7716 115.3482 60.7024 63.5633 174.5011 115 S 4.6050 7.7634 112.4499 57.2980 65.1836 173.7343 116 S 4.6449 8.4852 115.2816 57.9381 63.1581 174.1580 117 R 4.3056 7.7166 117.3118 57.0870 30.4143 175.6272 118 D 4.1865 8.4736 117.9800 55.2071 38.4085 172.7415 119 A 4.8833 7.3757 116.9668 50.2180 23.0360 176.5584 120 W 4.8686 9.0000 119.1897 55.6544 31.3562 175.5086 121 S 5.1347 9.2069 118.4534 56.6251 63.9556 173.0820 122 I 4.9683 8.5039 127.7455 59.6633 39.0142 174.9635 123 R 5.1109 9.1882 122.6331 54.8038 33.4996 174.7408 124 T 4.3418 8.5984 109.9850 61.4763 69.8407 173.0313 125 D 4.8061 7.8416 120.0071 52.6419 44.2533 174.9413 126 E 4.0898 8.7891 121.1654 58.3039 30.2849 177.1980 127 E 4.2057 8.6605 118.9948 57.5440 30.7887 175.6504 128 Y 4.3659 7.8944 113.7689 56.5788 39.4909 175.3256 129 A 4.0166 8.4667 124.4307 54.6952 18.8805 178.1917 130 W 5.4637 8.1593 113.1256 55.6098 34.2315 174.7495 131 V 4.8332 8.8152 122.9817 60.2491 34.8242 173.1331 *133 E 4.6312 8.4892 119.4607 56.4982 31.0252 176.6037 134 L 3.5205 8.3937 129.1225 54.2114 45.0879 174.0889 *136 D 4.1992 8.3326 116.6410 53.1255 40.2236 175.3133 137 A 4.3794 8.5767 121.4706 54.6861 18.1994 178.5571 138 R 4.3453 8.2967 113.4895 55.2094 30.7119 176.6864 139 G 3.8580 8.5509 106.3920 46.4195 0.0000 173.7234 140 T 4.6017 7.6864 108.0282 58.1878 71.3496 172.1268 141 P 4.3549 0.0000 0.0000 63.0435 31.5505 176.8452 142 A 4.0896 8.8732 126.3700 52.7260 19.0402 177.1846 143 G 3.7447 9.0490 103.2592 46.4460 0.0000 173.5148 144 F 5.1786 7.9882 122.0394 56.9165 42.5165 172.9183 145 K 5.2509 9.4403 125.7034 54.6260 36.6683 175.3541 146 L 4.9073 8.6680 122.3861 53.2570 44.2184 175.6209 147 L 4.3290 8.7704 125.5598 53.3516 42.6817 175.6317 148 I 4.7748 8.8500 126.7976 60.6472 37.8562 177.3746 149 R 4.3002 9.3099 127.6252 59.0528 30.8517 176.2127 150 D 4.7871 8.2040 115.5116 54.0678 44.5574 174.4459 151 F 5.3142 8.2332 115.5127 55.9294 40.8025 173.6255 152 R 4.4335 8.4806 118.4704 54.4179 34.4734 174.4443 153 V 4.4974 8.1969 122.1496 61.8930 34.0363 175.5182 154 G 4.1554 8.7397 115.2455 46.0671 0.0000 173.0382 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 0 H 8.44 4.65 0.00 3.27 3.55 0.00 5.54 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 L 7.58 4.25 0.00 1.73 1.54 0.87 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.03 5.17 0.00 1.87 1.71 1.22 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.68 4.79 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 1.15 0.00 0.00 5 T 8.18 5.27 4.34 0.00 0.00 0.00 0.00 0.00 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 6 S 8.68 4.42 0.00 3.94 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 7 R 8.50 3.97 0.00 1.82 1.91 0.00 3.35 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 8 K 8.53 3.82 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 9 P 0.00 4.69 0.00 2.27 2.12 0.00 3.81 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 2.04 0.00 10 S 9.17 4.45 0.00 4.08 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 11 Q 8.69 4.00 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 12 R 8.02 4.06 0.00 1.99 1.99 0.00 3.25 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 13 T 8.04 4.05 4.50 0.00 0.00 0.00 0.00 0.00 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 14 R 8.27 4.03 0.00 2.13 2.04 0.00 3.21 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 15 S 8.41 4.12 0.00 4.27 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 0.00 16 F 8.59 3.66 0.00 3.14 3.38 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 17 S 8.32 3.95 0.00 4.07 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 0.00 18 Q 7.98 3.26 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.23 1.77 0.00 19 R 7.70 3.64 0.00 1.81 1.65 0.00 3.40 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 20 L 7.30 3.45 0.00 1.05 1.41 0.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.99 4.27 0.00 4.46 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.53 3.83 0.00 1.79 1.87 0.00 3.05 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 23 I 7.29 3.57 1.57 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.31 0.58 0.00 0.00 *25 G 7.83 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 0.00 0.00 0.00 26 W 7.75 4.90 0.00 3.32 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 27 R 8.73 4.16 0.00 1.95 1.85 0.00 3.17 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 28 Y 8.74 5.34 0.00 3.02 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 29 I 7.38 4.49 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.84 0.00 0.00 30 N 8.49 4.34 0.00 2.72 2.80 0.00 0.00 6.93 7.66 0.00 0.00 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 R 8.67 3.96 0.00 1.79 1.95 0.00 3.39 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 G 7.53 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 33 K 8.56 4.23 0.00 1.71 1.76 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 *35 S 8.06 4.25 0.00 4.06 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 36 L 8.24 3.90 0.00 1.76 1.70 0.89 0.74 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 37 R 8.01 3.85 0.00 1.90 1.91 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 38 D 8.12 4.40 0.00 2.74 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 39 V 7.89 3.54 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 0.97 0.00 0.00 0.93 0.00 0.00 40 L 8.17 3.99 0.00 1.85 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.56 3.67 2.00 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 1.40 0.57 0.90 0.00 0.00 42 E 7.95 4.03 0.00 1.94 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 0.00 2.28 2.33 0.00 43 A 8.11 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.96 3.59 0.00 1.92 1.95 0.00 3.47 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 45 G 7.23 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 0.00 0.00 0.00 0.00 46 P 0.00 4.80 0.00 1.87 1.95 0.00 3.85 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 2.21 1.97 0.00 47 V 8.52 4.71 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 0.78 0.00 0.00 0.85 0.00 0.00 48 A 8.55 4.83 0.65 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 0.00 0.00 49 V 8.29 4.70 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 0.99 0.00 0.00 0.87 0.00 0.00 50 V 9.01 4.65 2.32 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 1.31 0.00 0.00 1.23 0.00 0.00 51 S 9.15 5.32 0.00 3.90 3.96 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 52 E 8.52 5.76 0.00 1.82 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 2.22 2.15 0.00 53 R 7.88 4.45 0.00 1.80 1.74 0.00 3.26 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 54 H 9.71 4.21 0.00 3.28 3.36 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.56 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 0.00 0.00 0.00 56 N 7.59 4.92 0.00 2.65 2.60 0.00 0.00 6.68 9.28 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 57 P 0.00 4.66 0.00 1.65 2.04 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 58 A 8.86 4.57 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 59 R 7.97 5.36 0.00 1.93 1.77 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 60 I 9.28 4.98 1.83 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 1.39 0.62 0.34 0.00 0.00 61 T 8.70 5.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 62 F 9.45 5.11 0.00 2.98 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 63 L 9.26 5.37 0.00 1.47 1.53 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 D 9.15 4.97 0.00 2.79 2.82 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 0.00 0.00 0.00 65 E 8.89 4.27 0.00 2.08 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 0.00 2.27 2.25 0.00 66 R 8.03 4.19 0.00 1.97 2.07 0.00 3.06 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 67 G 8.50 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 0.00 0.00 0.00 68 G 7.99 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 0.00 0.00 0.00 69 E 8.57 4.78 0.00 2.00 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 2.49 2.43 0.00 70 R 9.30 4.06 0.00 2.10 1.95 0.00 3.33 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 71 G 7.29 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 0.00 0.00 0.00 0.00 72 Y 7.82 5.67 0.00 3.27 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 73 I 9.41 5.29 2.07 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 1.31 1.12 1.05 0.00 0.00 74 L 9.20 5.50 0.00 1.81 1.75 1.11 1.22 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 75 F 9.19 5.52 0.00 3.32 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 76 N 8.95 4.86 0.00 2.59 2.64 0.00 0.00 7.18 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 77 P 0.00 5.06 0.00 2.32 1.57 0.00 3.44 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.55 0.00 78 S 8.89 4.63 0.00 3.85 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 79 F 8.27 5.52 0.00 3.20 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 4.70 0.00 2.04 1.12 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 2.34 2.44 0.00 *82 K 8.74 4.13 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 83 K 8.58 4.05 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.42 7.81 84 P 0.00 4.30 0.00 1.79 1.83 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 85 E 8.71 4.31 0.00 2.05 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 2.29 2.34 0.00 86 L 8.30 5.23 0.00 1.39 1.53 0.66 0.64 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 87 A 9.31 4.47 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 88 D 7.40 4.48 0.00 2.55 2.44 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 89 K 8.57 3.79 0.00 1.74 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 90 A 8.23 4.62 0.95 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 0.00 0.00 91 V 7.50 4.43 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 0.74 0.00 0.00 0.96 0.00 0.00 92 R 7.93 5.31 0.00 1.75 1.82 0.00 3.06 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 V 8.58 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 0.72 0.00 0.00 0.98 0.00 0.00 94 S 9.04 4.36 0.00 3.93 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 95 S 7.37 4.48 0.00 3.80 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 96 C 8.56 4.62 0.00 2.83 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 97 P 0.00 4.50 0.00 2.41 2.29 0.00 3.53 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 98 P 0.00 4.98 0.00 2.15 2.11 0.00 3.80 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 99 G 9.40 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 0.00 0.00 0.00 0.00 100 S 7.84 4.05 0.00 2.84 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 0.00 101 E 8.16 3.89 0.00 2.04 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 2.37 2.38 0.00 102 G 7.99 3.62 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 0.00 103 L 6.28 3.38 0.00 1.20 1.27 0.41 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 104 C 7.62 4.24 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 4.20 0.00 2.68 2.76 0.00 0.00 7.10 7.13 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 0.00 106 L 7.41 3.67 0.00 0.90 0.13 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *108 G 7.91 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 0.00 109 L 7.96 4.73 0.00 1.46 1.61 0.63 1.05 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 0.00 110 E 9.12 4.72 0.00 1.96 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 2.41 2.23 0.00 111 V 8.33 4.17 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 0.75 0.00 0.00 0.90 0.00 0.00 112 D 8.97 4.62 0.00 2.65 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 0.00 113 E 8.98 4.46 0.00 1.99 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 0.00 2.26 2.28 0.00 114 S 8.77 4.35 0.00 3.93 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 0.00 115 S 7.76 4.61 0.00 3.93 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 0.00 116 S 8.49 4.64 0.00 3.97 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 0.00 117 R 7.72 4.31 0.00 1.88 2.16 0.00 3.16 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 118 D 8.47 4.19 0.00 2.78 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 0.00 119 A 7.38 4.88 1.18 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 0.00 0.00 120 W 9.00 4.87 0.00 3.27 3.12 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 0.00 121 S 9.21 5.13 0.00 3.87 3.82 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 0.00 0.00 0.00 122 I 8.50 4.97 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.73 0.00 0.00 123 R 9.19 5.11 0.00 1.92 2.10 0.00 3.02 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 124 T 8.60 4.34 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 0.98 0.00 0.00 125 D 7.84 4.81 0.00 2.69 2.84 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 0.00 126 E 8.79 4.09 0.00 2.10 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 0.00 2.29 2.28 0.00 127 E 8.66 4.21 0.00 1.79 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 1.79 1.47 0.00 128 Y 7.89 4.37 0.00 3.09 3.28 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 0.00 129 A 8.47 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 0.00 130 W 8.16 5.46 0.00 3.35 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 0.00 131 V 8.82 4.83 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 1.22 0.00 0.00 1.05 0.00 0.00 *133 E 8.49 4.63 0.00 2.24 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 0.00 2.32 2.39 0.00 134 L 8.39 3.52 0.00 0.90 1.43 -0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 *136 D 8.33 4.20 0.00 3.19 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 0.00 137 A 8.58 4.38 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 0.00 138 R 8.30 4.35 0.00 1.86 1.92 0.00 3.25 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 139 G 8.55 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 0.00 140 T 7.69 4.60 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 0.00 141 P 0.00 4.35 0.00 2.07 2.34 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 142 A 8.87 4.09 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 0.00 143 G 9.05 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 0.00 0.00 0.00 144 F 7.99 5.18 0.00 3.18 2.80 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 0.00 0.00 0.00 145 K 9.44 5.25 0.00 1.66 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 146 L 8.67 4.91 0.00 1.55 1.52 0.61 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.77 4.33 0.00 1.04 0.13 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.85 4.77 2.32 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 1.52 1.57 1.37 0.00 0.00 149 R 9.31 4.30 0.00 2.01 2.11 0.00 3.53 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 150 D 8.20 4.79 0.00 2.84 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 0.00 151 F 8.23 5.31 0.00 3.12 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 0.00 152 R 8.48 4.43 0.00 0.85 1.54 0.00 3.10 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.60 0.00 153 V 8.20 4.50 2.12 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 0.81 0.00 0.00 1.00 0.00 0.00 154 G 8.74 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 * Residues marked with a * may have inaccurate shift predictions.