NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9876 8.2127 109.7427 45.3095 0.0000 173.3889 3 L 3.7989 8.5965 119.3231 57.2942 41.8895 177.9575 4 L 3.9382 8.7035 121.1639 58.4736 42.6467 178.6575 5 S 4.1668 8.0154 114.4727 61.6237 62.8209 176.7602 6 R 3.9727 8.1479 120.8217 59.2691 29.8098 179.1376 7 L 4.0585 8.2937 119.0815 57.8029 41.3609 179.7690 8 R 4.0149 7.7450 116.9729 58.5304 30.0380 178.1728 9 K 4.2840 7.6162 115.5372 55.6805 32.2908 177.0014 10 R 3.9374 7.8213 117.1000 57.0310 28.0316 176.1680 11 E 4.1703 7.9988 117.8140 55.3033 29.9904 175.5357 12 P 4.4163 0.0000 0.0000 62.3326 32.1317 176.1625 13 I 3.8242 8.1532 121.8481 61.3097 37.4820 177.0836 14 S 4.5120 8.5237 120.7261 57.6183 65.3614 175.2292 15 I 3.6544 8.2451 122.9489 64.6687 36.8309 177.5804 16 Y 4.1472 8.3445 120.7325 61.3623 38.4509 178.3922 17 D 4.2254 8.5611 119.3748 56.9781 40.7099 178.3682 18 K 3.8191 7.9977 119.8117 59.3676 32.2039 177.7941 19 I 4.2181 7.2256 109.5657 60.5958 37.9588 176.1196 20 G 3.8798 7.7482 108.4614 44.8658 0.0000 176.1901 21 G 2.6259 7.8258 108.6231 45.3094 0.0000 174.3456 22 H 4.2683 8.5657 116.5551 59.4855 29.7845 178.3017 23 E 4.2615 8.3854 121.1565 58.7304 29.3945 178.9465 24 A 3.9656 7.8161 120.3892 55.2191 18.4274 179.6176 25 I 3.6668 7.6987 118.3402 64.3079 36.6362 178.2331 26 E 3.9897 8.2665 119.6376 59.6869 29.4418 179.7813 27 V 3.6214 7.5253 117.9822 66.0115 31.6289 178.2086 28 V 3.5914 7.8515 118.0306 65.9891 31.3745 178.2027 29 V 3.8929 8.2210 118.3560 65.9310 31.5288 177.7521 30 E 4.0687 8.3013 118.4308 59.7069 29.1554 178.9198 31 D 4.3537 8.0423 117.4128 57.1122 41.2032 177.6696 32 F 4.2352 8.7505 121.6938 61.7906 39.3010 177.2930 33 F 3.6942 8.1621 116.6283 59.7591 38.6931 177.9844 34 V 3.5799 7.7009 118.0174 66.0876 31.0534 178.3336 35 R 3.7929 7.5405 116.4172 59.0254 30.1764 178.9462 36 V 3.4820 7.4537 118.0518 66.0032 31.3229 178.1489 37 L 4.1086 8.0181 116.9450 56.9404 41.5494 178.4797 38 A 4.4158 7.5757 118.6413 52.0175 18.8559 176.5173 39 D 4.6299 7.5952 118.4825 52.5806 41.1626 176.6880 40 D 4.4639 8.8047 127.7202 57.3864 40.9483 178.0158 41 Q 4.3848 8.5237 116.4299 57.1177 29.4089 176.5419 42 L 5.0200 8.3537 117.8818 55.6381 44.5132 178.9044 43 S 4.3850 8.3556 112.7568 61.2352 63.3303 176.2771 44 A 4.0334 8.1130 123.5204 54.7529 18.3401 179.2362 45 F 3.9477 7.8421 113.6781 60.1098 39.1989 176.1803 46 F 4.7087 8.1807 117.1715 56.0983 38.9242 174.9125 47 S 4.0361 7.6983 116.7165 61.1194 61.8713 174.3715 48 G 4.0296 8.9540 117.4037 45.3842 0.0000 173.2333 49 T 3.8227 7.6676 117.1733 63.6308 69.0442 173.2634 50 N 4.6237 8.6056 123.4383 53.6097 38.9360 175.5020 51 M 3.8160 8.3533 128.8457 58.0715 32.3432 178.3804 52 S 4.0163 7.9922 112.8327 61.3651 62.6117 176.0948 53 R 3.8588 8.1149 121.1783 59.2819 29.8145 178.0180 54 L 3.9550 7.9569 120.1761 58.3122 41.9717 179.0391 55 K 4.2017 8.3492 118.8140 59.5209 31.9801 179.5576 56 G 3.6686 8.0580 105.5216 47.8622 0.0000 176.0065 57 K 4.2505 8.2759 121.0022 59.1635 32.0008 179.6150 58 Q 3.9172 8.7182 119.0503 58.8041 28.6318 178.6674 59 V 3.8011 8.3202 119.6437 66.1716 31.5759 177.8642 60 E 4.1007 8.4450 118.1419 59.4436 29.2980 179.0862 61 F 3.6526 8.7194 120.8646 61.3638 39.4613 177.1802 62 F 4.4255 8.5547 117.5598 60.4367 38.6012 177.5470 63 A 4.2257 8.4646 120.3295 55.2065 18.2769 179.5323 64 A 3.7740 8.0336 118.9629 55.3338 18.2710 179.8012 65 A 3.8365 7.7309 118.0901 54.5190 18.5030 178.7582 66 L 4.5244 7.9208 116.3545 54.5428 41.6012 177.9844 67 G 3.8979 7.8923 107.0828 45.1693 0.0000 174.3844 68 G 2.9419 7.6864 108.8179 44.2568 0.0000 172.5990 69 P 4.2636 0.0000 0.0000 64.1825 31.8507 176.3347 70 E 4.5969 7.5392 117.9282 53.6154 31.2668 174.0372 71 P 4.4048 0.0000 0.0000 62.3804 32.1926 175.6454 72 Y 4.3754 8.5288 122.6893 57.9557 39.2463 176.0050 73 T 4.3115 8.2781 115.7861 61.1581 69.7932 174.9188 74 G 3.7011 5.3800 110.4616 43.9038 0.0000 173.1444 75 A 4.3615 8.2847 121.7439 50.8612 19.7014 176.6834 76 P 4.7138 0.0000 0.0000 62.4459 33.3667 177.9298 77 M 4.0386 8.6005 119.7053 58.4491 31.9841 178.9544 78 K 4.1961 7.9834 120.4567 59.0332 32.2534 178.2802 79 Q 3.9659 8.0379 117.9647 59.3477 29.1357 178.3546 80 V 3.7280 7.6149 118.5591 64.4693 31.7612 177.0687 81 H 4.6084 7.9121 114.9150 54.7453 29.2502 174.8934 82 Q 3.9535 7.4127 122.6021 57.6115 29.2464 176.4678 83 G 3.9462 8.8377 111.5486 46.3709 0.0000 174.1551 84 R 4.3832 7.7082 116.9636 55.0828 30.9529 177.3745 85 G 4.0155 8.2525 105.2660 46.3557 0.0000 173.8038 86 I 3.7953 7.2089 118.1947 61.0083 37.7351 176.0111 87 T 4.5265 8.4206 114.9901 60.0302 72.4708 175.2531 88 M 4.0617 8.5007 120.5185 58.7829 31.8169 178.3363 89 H 4.1162 8.2729 117.7945 59.7425 30.0380 176.7878 90 H 4.1493 7.9160 117.1787 58.8205 28.5320 177.4361 91 F 3.9452 8.3538 122.3831 61.5718 39.1062 177.2953 92 S 4.2497 8.5603 114.8424 61.6109 62.6096 176.6822 93 L 3.8606 7.8472 121.6503 57.7545 41.2724 179.8228 94 V 3.6234 7.8196 117.8726 65.9092 31.4140 177.8755 95 A 3.8801 8.1660 121.1234 54.9947 18.1224 179.7307 96 G 3.5234 8.2792 104.4921 48.4478 0.0000 175.6733 97 H 4.3280 8.2007 118.8058 58.2309 28.5993 177.6865 98 L 3.6338 8.3470 122.3109 58.0094 41.7880 178.8479 99 A 3.8950 8.0567 120.8101 55.3610 18.2067 179.3779 100 D 4.2623 8.3499 117.2151 57.3233 40.8579 178.8947 101 A 4.2572 8.1482 122.8052 54.6828 18.4196 179.6649 102 L 3.8723 8.1635 117.8895 58.0771 41.6393 179.9120 103 T 3.7725 8.2194 115.7552 66.7160 68.2415 176.5411 104 A 4.0152 8.0720 121.1650 54.8623 18.4467 178.6307 105 A 4.2862 7.6921 116.6207 52.1091 18.7276 178.1671 106 G 3.7887 7.8592 105.5449 45.6317 0.0000 174.1781 107 V 3.6638 7.4614 119.7245 61.4734 32.1552 174.3740 108 P 4.3294 0.0000 0.0000 62.6809 32.0479 177.0329 109 S 4.1094 8.9812 117.7765 62.1413 62.5194 176.8457 110 E 3.9290 8.1602 121.3948 59.4866 29.1260 179.3911 111 T 3.9733 8.0716 115.6585 66.3154 68.4350 177.0760 112 I 3.6217 7.6478 121.4206 64.6205 37.2013 178.1524 113 T 3.8351 8.1223 116.8616 66.6905 68.1611 175.9990 114 E 3.9199 8.1351 120.8943 59.4750 29.5786 178.9920 115 I 3.6932 7.9811 119.9363 64.4341 37.1061 178.4484 116 L 4.0739 8.3922 120.3533 57.7040 41.1530 179.8169 117 G 3.6688 8.0464 105.0860 47.6761 0.0000 175.6271 118 V 3.8256 7.3396 119.8061 65.7870 31.7990 177.9641 119 I 4.0984 8.0875 119.6376 64.1661 37.1187 178.0916 120 A 4.2604 8.5393 122.1448 54.8878 17.9113 177.8411 121 P 4.3059 0.0000 0.0000 64.9882 31.3961 178.3151 122 L 4.1540 8.2764 117.7534 56.7138 41.4954 178.7851 123 A 3.0191 7.4073 121.0463 54.6146 17.7392 179.9511 124 V 3.4650 7.0871 110.0780 64.3122 31.5292 177.8201 125 D 4.5504 8.0116 118.3841 56.6439 40.8622 179.0947 126 V 3.4575 7.6138 119.9306 66.5158 31.7761 176.4015 *127 T 4.5402 7.6985 113.7764 61.0307 69.0878 175.2082 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 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.60 3.80 0.00 2.04 1.71 1.01 0.15 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 4 L 8.70 3.94 0.00 1.80 1.66 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.02 4.17 0.00 3.92 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 6 R 8.15 3.97 0.00 2.03 2.09 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 7 L 8.29 4.06 0.00 1.82 1.72 0.93 1.22 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 8 R 7.74 4.01 0.00 1.99 2.00 0.00 3.16 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 9 K 7.62 4.28 0.00 1.91 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 10 R 7.82 3.94 0.00 1.98 2.04 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 11 E 8.00 4.17 0.00 2.07 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 2.34 2.35 0.00 12 P 0.00 4.42 0.00 2.18 2.05 0.00 3.77 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 1.99 1.99 0.00 13 I 8.15 3.82 1.88 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 1.48 0.55 0.92 0.00 0.00 14 S 8.52 4.51 0.00 4.26 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.25 3.65 2.03 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 1.53 0.57 0.90 0.00 0.00 16 Y 8.34 4.15 0.00 3.10 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 17 D 8.56 4.23 0.00 2.85 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 18 K 8.00 3.82 0.00 2.02 2.04 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 I 7.23 4.22 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.62 0.92 0.00 0.00 20 G 7.75 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 21 G 7.83 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 0.00 0.00 0.00 22 H 8.57 4.27 0.00 3.55 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.39 4.26 0.00 2.04 1.98 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 2.43 2.27 0.00 24 A 7.82 3.97 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 25 I 7.70 3.67 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 1.04 0.00 0.00 26 E 8.27 3.99 0.00 2.21 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 2.35 2.41 0.00 27 V 7.53 3.62 2.23 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 1.00 0.00 0.00 1.00 0.00 0.00 28 V 7.85 3.59 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 0.68 0.00 0.00 0.91 0.00 0.00 29 V 8.22 3.89 2.33 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 1.49 0.00 0.00 1.25 0.00 0.00 30 E 8.30 4.07 0.00 2.24 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 2.61 2.52 0.00 31 D 8.04 4.35 0.00 2.83 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 32 F 8.75 4.24 0.00 2.93 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 33 F 8.16 3.69 0.00 3.15 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 34 V 7.70 3.58 2.25 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 1.01 0.00 0.00 1.00 0.00 0.00 35 R 7.54 3.79 0.00 1.88 1.70 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 36 V 7.45 3.48 1.49 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 0.71 0.00 0.00 0.07 0.00 0.00 37 L 8.02 4.11 0.00 1.62 1.69 0.83 0.67 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 38 A 7.58 4.42 1.34 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 39 D 7.60 4.63 0.00 2.90 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 40 D 8.80 4.46 0.00 2.74 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 41 Q 8.52 4.38 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 42 L 8.35 5.02 0.00 1.96 1.93 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.36 4.38 0.00 4.08 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 44 A 8.11 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.84 3.95 0.00 2.81 2.58 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 46 F 8.18 4.71 0.00 3.33 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 47 S 7.70 4.04 0.00 3.88 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 48 G 8.95 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 0.00 0.00 0.00 49 T 7.67 3.82 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 50 N 8.61 4.62 0.00 2.75 2.73 0.00 0.00 7.21 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 51 M 8.35 3.82 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 52 S 7.99 4.02 0.00 3.86 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 53 R 8.11 3.86 0.00 1.94 2.02 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 54 L 7.96 3.96 0.00 1.83 1.60 1.08 0.54 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 55 K 8.35 4.20 0.00 1.98 1.93 0.00 1.71 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 1.09 7.81 56 G 8.06 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 57 K 8.28 4.25 0.00 2.05 2.08 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.67 7.81 58 Q 8.72 3.92 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.56 3.06 0.00 59 V 8.32 3.80 2.35 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 1.08 0.00 0.00 1.09 0.00 0.00 60 E 8.45 4.10 0.00 2.56 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 0.00 2.45 2.63 0.00 61 F 8.72 3.65 0.00 2.77 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 62 F 8.55 4.43 0.00 3.17 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 63 A 8.46 4.23 1.60 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 0.00 0.00 64 A 8.03 3.77 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 65 A 7.73 3.84 1.07 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 66 L 7.92 4.52 0.00 1.87 1.82 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.89 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 68 G 7.69 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 0.00 0.00 0.00 69 P 0.00 4.26 0.00 2.12 2.11 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 70 E 7.54 4.60 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 71 P 0.00 4.40 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 72 Y 8.53 4.38 0.00 2.94 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 73 T 8.28 4.31 4.12 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 1.21 0.00 0.00 74 G 5.38 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 75 A 8.28 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.24 2.08 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 77 M 8.60 4.04 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 78 K 7.98 4.20 0.00 1.84 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.37 7.81 79 Q 8.04 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 80 V 7.61 3.73 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 0.68 0.00 0.00 0.86 0.00 0.00 81 H 7.91 4.61 0.00 3.28 3.45 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.41 3.95 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 83 G 8.84 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 84 R 7.71 4.38 0.00 2.06 2.11 0.00 3.24 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 85 G 8.25 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 0.00 0.00 0.00 86 I 7.21 3.80 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.80 0.83 0.00 0.00 87 T 8.42 4.53 4.27 0.00 0.00 0.00 0.00 0.00 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 88 M 8.50 4.06 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 89 H 8.27 4.12 0.00 3.22 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.92 4.15 0.00 3.35 3.20 0.00 5.69 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 91 F 8.35 3.95 0.00 3.17 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 92 S 8.56 4.25 0.00 4.09 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 93 L 7.85 3.86 0.00 1.86 1.67 0.88 0.79 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 94 V 7.82 3.62 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 1.22 0.00 0.00 0.99 0.00 0.00 95 A 8.17 3.88 1.21 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 0.00 0.00 96 G 8.28 3.52 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 0.00 97 H 8.20 4.33 0.00 3.43 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.35 3.63 0.00 1.07 1.56 -0.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.06 3.89 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 0.00 100 D 8.35 4.26 0.00 2.86 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 0.00 101 A 8.15 4.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.16 3.87 0.00 1.73 1.64 0.71 0.47 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 0.00 103 T 8.22 3.77 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 1.19 0.00 0.00 104 A 8.07 4.02 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 0.00 105 A 7.69 4.29 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 0.00 106 G 7.86 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 0.00 107 V 7.46 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 0.74 0.00 0.00 0.91 0.00 0.00 108 P 0.00 4.33 0.00 2.19 1.95 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 109 S 8.98 4.11 0.00 4.02 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 0.00 110 E 8.16 3.93 0.00 2.06 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 2.39 2.46 0.00 111 T 8.07 3.97 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 112 I 7.65 3.62 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.85 0.00 0.00 113 T 8.12 3.84 4.40 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 1.20 0.00 0.00 114 E 8.14 3.92 0.00 2.14 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 0.00 2.30 2.35 0.00 115 I 7.98 3.69 1.93 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 1.47 0.53 0.76 0.00 0.00 116 L 8.39 4.07 0.00 1.80 1.73 0.89 0.67 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 0.00 117 G 8.05 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 0.00 118 V 7.34 3.83 2.23 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 0.95 0.00 0.00 0.98 0.00 0.00 119 I 8.09 4.10 1.93 0.00 0.00 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 1.71 0.73 1.01 0.00 0.00 120 A 8.54 4.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.31 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 122 L 8.28 4.15 0.00 2.11 1.86 1.26 1.19 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 0.00 123 A 7.41 3.02 0.22 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 0.00 124 V 7.09 3.47 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 0.74 0.00 0.00 0.97 0.00 0.00 125 D 8.01 4.55 0.00 2.84 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 0.00 126 V 7.61 3.46 2.18 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 0.73 0.00 0.00 0.94 0.00 0.00 *127 T 7.70 4.54 4.33 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.