NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9044 8.3549 109.7370 45.3608 0.0000 172.4863 5 L 4.6815 8.1882 119.4698 52.0077 44.7696 174.2689 6 L 4.8112 8.1260 118.4920 52.7028 45.8719 177.8156 7 K 3.9507 8.7771 123.8806 59.3426 32.2992 178.5920 8 A 4.0398 8.1074 121.4829 55.1999 18.3501 178.7706 9 L 4.2761 7.4531 112.3902 56.3269 41.8656 178.2161 10 R 4.1039 7.7486 117.4100 57.3507 30.4399 176.7223 11 S 4.0176 7.2942 111.7457 59.2067 63.2629 174.6404 12 D 4.8750 8.4277 127.9202 52.8855 41.2691 175.8678 13 S 4.6497 8.0618 116.3653 61.1232 63.5946 176.7232 14 Y 3.9761 8.3027 117.0860 59.8538 37.7524 176.3044 15 V 4.4555 7.6092 117.6310 62.6991 32.1580 175.7451 16 E 4.3209 7.8947 119.2006 56.5444 30.0160 176.4973 17 L 4.4143 8.3060 121.2702 55.0431 42.4356 177.5582 18 S 4.8364 8.2429 116.0070 57.1351 65.5491 173.5301 19 Q 4.1241 8.5840 117.7883 58.8067 28.8423 176.3752 20 Y 4.0457 7.3760 118.1760 58.0081 39.2205 175.8010 21 R 4.3527 6.8668 123.9699 54.2790 34.4496 174.2228 22 D 4.1971 9.1535 123.1763 54.2255 40.9424 176.3104 23 Q 4.2188 8.5536 127.1639 57.4260 29.1422 175.4039 24 H 4.6913 8.0326 115.0083 56.4969 31.3463 174.1869 25 F 4.1688 7.8141 120.7995 59.5288 39.4581 176.1154 26 R 4.0145 7.7964 128.2087 52.4718 28.3445 175.4706 27 G 3.7430 6.9611 109.8033 44.8606 0.0000 169.0032 28 D 4.4861 7.8528 118.8563 53.6704 41.9184 176.1262 29 N 4.1950 9.1469 124.4843 57.1527 38.6986 176.3141 30 E 3.8987 8.5002 119.8629 59.5330 29.6298 178.5947 31 E 4.1127 8.5305 118.3403 58.7962 29.3858 179.1531 32 Q 3.3252 7.8324 119.7381 58.9386 29.2278 177.6258 33 E 3.8503 8.2695 119.7984 59.0976 29.2078 179.1087 34 K 3.8734 7.8949 119.0341 59.5026 32.5849 178.5094 35 L 4.1564 7.5560 119.2477 57.5868 41.7518 179.2012 36 L 3.9982 7.9732 119.1470 57.7275 41.3317 179.4076 37 K 3.9096 7.8860 116.5154 57.5560 32.1609 177.6615 38 K 4.3652 7.3517 116.1032 55.5819 33.5377 176.4792 39 S 4.3314 7.3225 112.7266 58.9308 62.8539 173.3217 40 C 5.1929 8.8309 120.7954 59.8711 30.2296 173.0728 41 T 5.1916 8.5805 117.1702 61.9186 70.6794 173.6015 42 L 5.2757 9.1392 124.9770 53.1616 45.6795 174.7477 43 Y 4.8965 9.4368 124.0950 56.2778 40.9784 174.3032 44 V 4.3741 7.8231 126.0295 60.8369 34.7709 174.5408 45 G 4.1492 8.7276 113.9576 44.2789 0.0000 171.7288 46 N 4.5784 8.7311 114.5409 54.4682 37.0233 174.3041 47 L 4.2929 7.5498 114.9954 53.7084 42.8619 176.9585 48 S 4.5467 8.1808 114.4894 57.7233 63.0380 175.2766 49 F 4.3639 8.5124 123.7056 59.8436 38.7173 176.0885 50 Y 4.7746 7.4164 116.9371 57.9644 37.9719 175.5043 51 T 4.6786 7.8801 118.1497 62.7662 69.0247 175.3782 52 T 4.4092 8.9385 118.1139 60.5864 71.7703 175.5246 53 E 3.9535 8.5284 121.6699 59.4111 29.6617 178.7084 54 E 4.0772 8.1678 118.3408 59.4584 29.5739 179.1439 55 Q 4.0471 7.8965 117.8590 59.1350 28.8265 178.9096 56 I 3.8895 7.7028 120.3930 64.4492 37.1331 178.2139 57 Y 3.8358 8.1325 117.7780 60.9100 37.5075 177.9670 58 E 4.0132 8.0810 119.0345 59.2032 30.1749 178.4418 59 L 4.0657 7.9997 120.2221 58.3730 42.1640 178.9095 60 F 4.1841 8.5703 116.9782 59.7346 38.9074 177.4402 61 S 4.9974 8.1242 115.8831 60.0511 62.4369 176.2534 62 K 4.1272 7.9388 120.7479 58.3996 31.8218 178.0984 63 S 4.7560 8.8988 112.2744 57.1290 64.1757 173.9873 64 G 4.3079 7.0180 111.1722 44.4043 0.0000 171.2820 65 D 4.9580 8.2721 119.9630 54.0027 41.3440 176.0042 66 I 3.8444 8.3565 125.3381 60.4080 38.2719 175.6021 67 K 3.6277 8.2935 127.4187 57.9261 32.5652 176.6689 68 K 4.5237 7.1547 118.0183 55.4525 35.5958 173.9806 69 I 4.7974 8.1468 124.7491 59.4254 40.7495 174.7477 70 I 4.3263 8.2805 126.8041 59.6049 39.8555 174.9062 71 M 4.2029 8.5070 126.9790 54.5615 33.2311 176.2046 72 G 2.4328 8.0784 110.5947 45.3575 0.0000 172.6412 73 L 5.3266 9.0335 125.8450 52.4116 45.8025 175.4724 74 D 4.8720 9.0793 122.7196 54.2162 41.4450 177.1810 75 K 3.6590 9.0256 128.2730 59.0758 32.1930 176.8168 76 M 4.2649 8.5746 117.6221 57.0154 31.7270 177.0924 77 K 4.1995 8.0756 115.4634 56.5784 33.4262 177.0712 78 K 4.1522 7.9011 118.1867 57.9600 30.3893 174.6010 79 T 4.6347 6.9629 107.4863 59.2965 72.2580 173.0522 80 A 4.3484 8.3897 123.9077 52.1314 18.4988 177.1251 81 C 3.0169 8.4103 117.1412 56.9998 30.9520 174.5808 82 G 4.3407 8.5261 108.7021 45.2127 0.0000 173.0096 83 F 5.0261 7.4430 112.5578 56.2837 41.1173 171.9260 84 C 4.4371 7.9804 113.8003 57.4226 33.7007 172.2691 85 F 5.2494 8.7368 117.0670 55.6059 42.0327 174.7037 86 V 4.2491 8.7062 123.8827 60.8944 33.7641 173.5754 87 E 5.0276 8.6359 129.4620 54.7837 31.5230 174.7459 88 Y 4.7072 8.7836 124.8824 56.7480 39.9684 175.6579 89 Y 4.3363 8.5742 117.2769 59.9344 38.5547 176.3216 90 S 4.9390 7.9812 113.1345 55.4144 66.3741 174.4842 91 R 4.0176 9.0202 122.8152 59.9427 29.8540 178.4247 92 A 4.3196 8.0691 121.0780 54.9069 17.8499 179.2065 93 D 4.3164 8.0462 116.5779 57.0598 40.7301 178.7581 94 A 3.4414 7.6178 120.8501 54.4804 18.0355 179.4041 95 E 4.0685 8.3030 117.6181 59.7129 29.5937 179.1650 96 N 4.3050 8.0444 115.7267 55.9067 38.5106 177.3585 97 A 3.9334 7.4583 122.0036 55.2084 18.2493 179.5887 98 M 3.9117 7.2591 116.6081 58.2829 31.9988 178.9443 99 R 3.6245 7.6452 117.8324 58.4008 30.2962 177.6091 100 Y 4.7094 7.6143 113.0778 57.7337 40.0147 176.5864 101 I 3.9772 7.6100 120.5231 62.4316 38.4192 175.7592 102 N 4.3370 7.9522 118.2049 55.4592 38.8223 174.3731 103 G 3.8870 9.0594 113.7264 45.9719 0.0000 172.3607 104 T 4.6396 7.5892 109.3945 59.1820 71.5507 172.9990 105 R 5.2312 8.1113 119.3085 54.7770 31.4418 176.5606 106 L 4.3491 7.9190 122.6057 54.7019 44.2129 175.1766 107 D 4.4319 9.4570 125.4482 55.5065 39.4014 173.8695 108 D 4.7318 8.5485 112.8238 53.9488 39.7837 173.0511 109 R 4.7477 7.5159 115.4451 54.0552 33.7417 175.0625 110 I 4.6136 8.3875 123.7523 61.0737 37.7447 175.6308 111 I 4.5429 8.3054 120.8914 59.4705 40.6914 174.4897 112 R 5.2356 8.4650 122.3956 54.7999 32.8261 174.1908 113 T 5.1054 8.9018 116.3582 60.4392 71.3375 173.3002 114 D 4.7951 8.8802 121.5290 52.4572 45.2064 174.5559 115 W 4.7611 8.9223 124.4358 57.0763 29.8440 174.8966 116 D 5.2513 8.9565 122.4441 52.3991 43.0905 176.0543 117 A 4.0695 8.8242 126.9448 53.6010 18.8418 176.6304 118 G 4.1793 7.6956 100.7879 43.0457 0.0000 173.5488 119 F 4.1838 8.2169 124.3024 57.6237 40.4900 175.0388 120 K 4.1479 6.2928 123.4192 54.3500 35.9958 175.4563 121 E 3.9725 8.3109 122.0702 58.5283 29.9579 177.6924 122 G 4.2182 9.4560 111.8025 45.5810 0.0000 175.1466 123 R 4.1988 7.4072 117.2119 57.6609 30.4604 176.9383 124 Q 4.7422 8.0855 115.6317 56.9426 29.8648 174.6401 125 Y 6.0774 6.8844 117.4520 55.4762 40.0115 176.0691 126 G 3.8833 9.1410 110.5815 46.8039 0.0000 173.4470 127 R 4.6250 8.6189 120.8880 55.5191 30.8794 177.1124 128 G 3.7801 8.1895 108.8757 45.0588 0.0000 174.9014 129 R 3.8308 8.7400 122.0476 59.5433 29.9591 177.7560 130 S 4.3650 8.2208 110.3532 58.7735 63.1891 173.6408 131 G 4.1774 8.5797 111.0384 45.9482 0.0000 174.7675 132 G 4.3354 7.7122 107.9780 44.6172 0.0000 172.3004 133 Q 4.3496 8.5656 117.9957 55.4330 29.8169 177.0151 134 V 3.5864 8.7069 121.6535 66.7288 31.1394 178.4504 135 R 3.9909 8.0930 115.5168 59.5027 29.9415 177.8208 136 D 4.6285 8.4414 117.1197 55.3153 41.0764 178.0255 137 E 3.8554 8.1723 121.0565 58.9210 29.3729 177.5713 138 Y 4.6115 7.3690 113.0773 57.6393 38.3150 175.9721 139 R 4.2300 7.9965 119.6906 56.7861 30.6914 176.0750 140 Q 4.5148 8.4653 114.7748 57.4407 30.4213 175.7728 141 D 4.5564 7.9724 117.2195 53.0839 40.1904 174.4244 142 Y 4.1138 8.1779 120.7778 55.8672 38.3004 174.0623 143 D 4.3100 7.8910 127.5585 51.8048 41.1040 176.7248 144 A 3.4305 8.1110 130.3766 55.1657 18.5181 179.3491 145 G 3.6837 7.5537 100.3972 46.3566 0.0000 174.2692 146 R 2.9449 7.3637 117.9037 54.9944 30.8136 175.2695 147 G 3.6309 6.9752 102.9964 45.5987 0.0000 176.1423 148 G 3.1942 7.1653 112.0335 46.2528 0.0000 176.5855 149 Y 4.7920 8.0946 121.7822 56.8582 38.6691 176.3903 150 G 3.9331 8.7388 111.6531 47.3253 0.0000 176.1341 151 K 3.5739 7.9251 125.2141 57.9362 33.3861 175.7956 *152 L 4.1142 6.1683 130.6724 55.2870 41.4946 177.6691 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 4 G 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.19 4.68 0.00 1.67 1.58 0.92 0.61 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 6 L 8.13 4.81 0.00 1.66 1.52 0.93 0.70 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 7 K 8.78 3.95 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 8 A 8.11 4.04 1.32 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 0.00 0.00 0.00 9 L 7.45 4.28 0.00 1.70 1.74 0.93 0.92 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 10 R 7.75 4.10 0.00 2.00 1.99 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 11 S 7.29 4.02 0.00 3.99 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 12 D 8.43 4.88 0.00 2.92 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 13 S 8.06 4.65 0.00 4.00 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 14 Y 8.30 3.98 0.00 2.84 3.19 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 15 V 7.61 4.46 2.34 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 1.11 0.00 0.00 1.10 0.00 0.00 16 E 7.89 4.32 0.00 2.21 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 2.35 2.33 0.00 17 L 8.31 4.41 0.00 1.66 1.65 0.87 0.76 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 18 S 8.24 4.84 0.00 4.03 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 19 Q 8.58 4.12 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 20 Y 7.38 4.05 0.00 2.88 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 21 R 6.87 4.35 0.00 1.55 1.58 0.00 3.32 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.00 22 D 9.15 4.20 0.00 2.86 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 23 Q 8.55 4.22 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 24 H 8.03 4.69 0.00 3.15 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.81 4.17 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 26 R 7.80 4.01 0.00 1.55 1.60 0.00 3.33 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 27 G 6.96 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 28 D 7.85 4.49 0.00 2.79 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 29 N 9.15 4.20 0.00 2.79 2.84 0.00 0.00 6.84 7.65 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 30 E 8.50 3.90 0.00 2.12 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 0.00 2.38 2.48 0.00 31 E 8.53 4.11 0.00 2.38 2.15 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 2.38 2.51 0.00 32 Q 7.83 3.33 0.00 1.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.05 1.54 0.00 33 E 8.27 3.85 0.00 1.99 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 2.26 2.59 0.00 34 K 7.89 3.87 0.00 1.88 2.04 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 35 L 7.56 4.16 0.00 1.80 1.68 1.13 0.62 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 36 L 7.97 4.00 0.00 1.75 1.64 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.89 3.91 0.00 1.61 1.70 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.48 7.81 38 K 7.35 4.37 0.00 1.68 1.76 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.31 7.81 39 S 7.32 4.33 0.00 4.11 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 40 C 8.83 5.19 0.00 3.00 3.21 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 0.00 41 T 8.58 5.19 4.38 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 1.36 0.00 0.00 42 L 9.14 5.28 0.00 1.49 1.47 0.94 -0.17 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 43 Y 9.44 4.90 0.00 3.19 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 44 V 7.82 4.37 1.66 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 0.86 0.00 0.00 0.45 0.00 0.00 45 G 8.73 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 0.00 0.00 0.00 46 N 8.73 4.58 0.00 2.86 2.91 0.00 0.00 7.02 7.78 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 47 L 7.55 4.29 0.00 1.70 1.56 0.73 0.57 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 48 S 8.18 4.55 0.00 3.86 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 49 F 8.51 4.36 0.00 2.35 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 0.00 50 Y 7.42 4.77 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.88 4.68 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 1.24 0.00 0.00 52 T 8.94 4.41 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 1.24 0.00 0.00 53 E 8.53 3.95 0.00 2.04 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 2.58 2.55 0.00 54 E 8.17 4.08 0.00 2.11 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 2.38 2.42 0.00 55 Q 7.90 4.05 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 56 I 7.70 3.89 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.99 0.53 0.00 0.00 57 Y 8.13 3.84 0.00 3.28 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 58 E 8.08 4.01 0.00 2.03 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 2.36 2.40 0.00 59 L 8.00 4.07 0.00 1.85 1.77 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.57 4.18 0.00 3.23 3.14 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 61 S 8.12 5.00 0.00 4.09 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 62 K 7.94 4.13 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 63 S 8.90 4.76 0.00 3.92 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 64 G 7.02 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 0.00 0.00 0.00 0.00 65 D 8.27 4.96 0.00 3.09 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 66 I 8.36 3.84 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.39 0.39 0.00 0.00 67 K 8.29 3.63 0.00 0.79 1.40 0.00 1.36 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 0.80 7.81 68 K 7.15 4.52 0.00 1.72 1.40 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.59 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 1.34 7.81 69 I 8.15 4.80 1.87 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.03 0.70 0.00 0.00 70 I 8.28 4.33 1.73 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.39 0.63 0.00 0.00 71 M 8.51 4.20 0.00 1.67 1.80 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 72 G 8.08 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 5.33 0.00 1.65 1.62 0.91 0.75 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 74 D 9.08 4.87 0.00 2.66 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 75 K 9.03 3.66 0.00 1.96 1.82 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 0.95 7.81 76 M 8.57 4.26 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 77 K 8.08 4.20 0.00 1.95 2.05 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.46 7.81 78 K 7.90 4.15 0.00 1.93 1.97 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.52 7.81 79 T 6.96 4.63 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 1.28 0.00 0.00 80 A 8.39 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.41 3.02 0.00 2.66 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 82 G 8.53 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 0.00 0.00 0.00 0.00 83 F 7.44 5.03 0.00 2.95 3.20 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 84 C 7.98 4.44 0.00 2.86 2.67 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 85 F 8.74 5.25 0.00 2.96 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 V 8.71 4.25 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 0.19 0.00 0.00 0.01 0.00 0.00 87 E 8.64 5.03 0.00 1.98 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 2.05 2.23 0.00 88 Y 8.78 4.71 0.00 3.06 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 89 Y 8.57 4.34 0.00 3.19 3.05 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 90 S 7.98 4.94 0.00 4.03 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 91 R 9.02 4.02 0.00 2.00 2.04 0.00 3.39 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 1.70 1.86 0.00 92 A 8.07 4.32 1.36 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 0.00 0.00 93 D 8.05 4.32 0.00 2.66 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 94 A 7.62 3.44 1.51 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 0.00 0.00 95 E 8.30 4.07 0.00 2.26 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 0.00 2.80 2.93 0.00 96 N 8.04 4.31 0.00 2.73 2.96 0.00 0.00 6.94 7.21 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 97 A 7.46 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.26 3.91 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.05 0.00 99 R 7.65 3.62 0.00 0.68 0.66 0.00 2.87 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 100 Y 7.61 4.71 0.00 2.84 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 0.00 101 I 7.61 3.98 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.06 0.17 0.00 0.00 102 N 7.95 4.34 0.00 2.63 2.93 0.00 0.00 7.05 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 0.00 103 G 9.06 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 0.00 0.00 0.00 104 T 7.59 4.64 4.22 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 1.26 0.00 0.00 105 R 8.11 5.23 0.00 1.81 1.89 0.00 3.23 0.00 0.00 3.81 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 106 L 7.92 4.35 0.00 1.69 1.50 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.46 4.43 0.00 2.94 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 0.00 108 D 8.55 4.73 0.00 2.85 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 0.00 109 R 7.52 4.75 0.00 1.80 1.75 0.00 3.13 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 110 I 8.39 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.35 0.93 0.00 0.00 111 I 8.31 4.54 1.98 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 1.31 0.91 0.92 0.00 0.00 112 R 8.47 5.24 0.00 1.92 1.79 0.00 3.08 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 113 T 8.90 5.11 4.22 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 1.36 0.00 0.00 114 D 8.88 4.80 0.00 2.86 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 0.00 115 W 8.92 4.76 0.00 3.26 3.11 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 0.00 116 D 8.96 5.25 0.00 3.00 2.71 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 0.00 117 A 8.82 4.07 1.16 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 0.00 118 G 7.70 4.18 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 0.00 119 F 8.22 4.18 0.00 2.72 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 0.00 120 K 6.29 4.15 0.00 1.46 1.38 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.32 7.81 121 E 8.31 3.97 0.00 1.90 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 2.42 2.34 0.00 122 G 9.46 4.22 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 0.00 123 R 7.41 4.20 0.00 1.65 2.04 0.00 3.39 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 124 Q 8.09 4.74 0.00 2.15 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 125 Y 6.88 6.08 0.00 3.11 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 0.00 126 G 9.14 3.88 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 0.00 0.00 0.00 127 R 8.62 4.62 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 128 G 8.19 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 0.00 129 R 8.74 3.83 0.00 1.74 1.96 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 130 S 8.22 4.37 0.00 3.90 3.88 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 0.00 131 G 8.58 4.18 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 0.00 132 G 7.71 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 0.00 0.00 0.00 0.00 133 Q 8.57 4.35 0.00 2.41 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.65 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.53 0.00 134 V 8.71 3.59 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 1.14 0.00 0.00 0.96 0.00 0.00 135 R 8.09 3.99 0.00 1.86 2.04 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 136 D 8.44 4.63 0.00 2.95 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 0.00 137 E 8.17 3.86 0.00 1.99 1.82 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 1.80 1.47 0.00 138 Y 7.37 4.61 0.00 3.06 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 0.00 139 R 8.00 4.23 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 140 Q 8.47 4.51 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 141 D 7.97 4.56 0.00 2.94 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 0.00 142 Y 8.18 4.11 0.00 2.31 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 0.00 143 D 7.89 4.31 0.00 2.75 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 0.00 0.00 0.00 144 A 8.11 3.43 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 0.00 145 G 7.55 3.68 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 0.00 0.00 0.00 146 R 7.36 2.94 0.00 1.56 1.52 0.00 3.32 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 147 G 6.98 3.63 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 0.00 148 G 7.17 3.19 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 0.00 149 Y 8.09 4.79 0.00 3.10 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 0.00 150 G 8.74 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 0.00 151 K 7.93 3.57 0.00 1.80 1.32 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 *152 L 6.17 4.11 0.00 1.47 1.27 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.