NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7600 8.4093 118.2223 52.3059 39.2300 173.5550 4 T 4.6486 7.6953 108.4972 58.3758 71.4736 172.7454 5 T 4.4886 9.0026 115.2154 60.6058 72.8243 176.6980 6 Y 3.9819 8.4452 121.2426 60.8316 38.7268 177.9718 7 V 3.6199 8.0322 118.6005 66.1979 31.6999 177.6604 8 Q 4.0592 8.0895 117.5828 59.2792 28.5364 178.9885 9 E 4.0604 8.2065 119.4199 59.2943 29.3786 178.5133 10 Y 3.5531 8.0170 119.9189 61.1782 38.7706 178.2788 11 H 4.1654 8.4540 116.6647 58.5483 28.4236 177.7180 12 A 3.9962 7.9207 122.5554 55.3055 18.1982 179.7701 13 I 3.3178 7.5484 118.5768 64.3348 37.0062 178.8430 14 V 3.2686 7.5335 119.3615 65.7404 31.0167 177.4838 15 E 3.8396 7.8250 118.2747 59.2980 29.5511 178.9021 16 V 3.6622 7.2779 117.7153 66.1088 31.6739 178.1709 17 L 3.7309 7.9676 118.9638 57.3694 41.3359 179.1275 18 S 4.0667 8.6127 113.7829 61.6005 62.1601 176.5033 19 K 4.0257 7.7971 120.9639 59.5004 31.7693 178.7198 20 Y 4.1578 7.7950 119.2628 60.9000 38.8549 177.6869 21 N 4.1749 8.3550 117.4831 56.0389 38.5596 177.1093 22 E 3.9856 8.7601 121.2591 59.3246 29.8035 179.1267 23 G 3.6926 8.5323 106.3561 47.5588 0.0000 175.9098 24 G 3.4976 7.9571 107.9247 47.6141 0.0000 175.7690 25 K 4.0130 8.1471 123.0048 58.7285 32.0595 178.2107 26 K 4.1655 8.2309 115.5716 55.5433 33.1899 176.2852 27 A 3.7642 7.7829 121.5927 53.0656 16.5704 178.4035 28 D 4.5713 8.6019 120.9876 52.5272 43.1389 175.8085 29 S 4.2238 8.9848 122.7077 60.4953 63.3589 176.0454 30 T 3.8170 7.8016 111.3795 64.5698 68.5659 175.5740 31 I 3.8875 7.2745 119.7041 62.1420 36.9038 176.4900 *33 R 4.2061 8.0286 122.8757 55.8934 31.2709 175.8019 34 P 4.3689 0.0000 0.0000 65.0539 31.6124 177.1056 35 A 4.1517 8.1577 119.4175 53.4532 19.4259 176.8795 36 F 5.3042 8.1174 114.2090 55.2901 41.4994 175.9918 37 S 4.4361 9.0855 118.3963 58.3487 62.9264 175.4320 38 S 4.2328 8.9254 119.3918 61.2185 62.8642 175.0093 39 Q 4.3752 7.9873 117.9373 55.5566 28.9285 175.5986 40 A 5.0995 8.2529 121.4312 51.8514 19.6851 177.2342 41 T 4.9167 8.4768 109.3198 59.7765 72.7943 172.5540 42 I 5.4599 7.9809 122.2813 58.3227 41.4673 174.0896 43 F 5.3406 8.6625 126.0316 56.3830 43.9190 173.9205 44 G 3.5457 9.0164 107.6245 45.0723 0.0000 170.6982 45 V 4.9938 8.0023 119.0383 61.1043 33.9924 176.2513 46 D 4.8371 8.8995 127.8810 52.0017 41.3084 177.2310 47 V 3.7170 8.3270 117.5489 64.5915 31.3210 176.3447 48 D 4.6760 8.2859 118.9269 53.7240 40.6343 175.8696 49 N 4.2545 8.0820 114.3760 54.1265 36.8430 174.0348 50 K 4.5506 8.1491 117.5588 54.5787 34.3603 176.0074 51 L 4.4153 8.4691 125.3940 56.0574 42.7229 176.1396 52 T 4.5779 10.0762 120.5356 59.9218 70.5783 172.1169 53 G 3.7375 9.6087 115.9961 45.3355 0.0000 170.1026 54 G 3.6466 6.9635 112.9310 43.3617 0.0000 171.8363 55 P 4.5366 0.0000 0.0000 62.2914 32.0571 177.5412 56 I 3.1796 7.8567 119.7367 63.6224 37.6494 177.9415 57 Q 3.7763 7.8471 120.3150 59.1039 28.5341 178.3244 58 G 3.5054 7.8238 106.7068 47.5349 0.0000 175.2142 59 L 3.6455 7.2097 122.2025 58.0431 42.0343 179.2546 60 F 4.4485 7.2468 117.0073 60.4978 38.7624 177.1889 61 D 4.3314 8.1786 118.6927 57.4472 40.6244 179.0756 62 V 3.4596 7.3627 118.5789 65.9542 31.1363 178.0570 63 I 3.2869 7.5450 119.4997 64.3706 36.6952 178.0291 64 D 4.4687 7.9724 118.3860 56.2741 40.9706 177.6777 65 N 4.7962 8.2926 114.9804 53.0952 39.7569 175.6050 66 V 4.2445 7.6621 118.1077 64.2687 33.2458 176.2588 67 F 4.6131 7.5050 113.7703 57.7860 39.3637 174.2414 68 H 5.1918 8.4361 119.6814 52.9961 32.3374 171.9336 69 P 4.4441 0.0000 0.0000 63.7279 32.0001 176.9006 70 S 4.6593 9.1565 120.6676 55.4656 63.2725 172.8228 71 P 4.2825 0.0000 0.0000 65.4877 31.3882 178.5774 72 E 4.0175 8.0963 116.6701 58.0695 29.7202 176.8918 73 A 4.4859 7.5903 121.0420 51.8161 19.0933 177.2370 74 K 4.6288 9.0557 120.9587 54.5325 35.7833 175.2164 75 A 5.3570 8.8467 126.2337 50.0768 21.7222 175.4009 76 A 4.5741 9.2992 122.8820 50.1763 21.8309 176.0909 77 I 4.2786 8.6090 124.1090 60.7748 35.3195 175.5772 78 A 4.2476 8.7220 129.1105 54.8377 19.1906 177.8535 79 R 4.6619 7.6713 112.8379 55.5278 33.8023 174.1745 80 I 4.9818 8.5118 125.6171 59.8912 40.5726 174.2038 81 D 4.9756 9.2195 128.4878 53.1433 42.5374 175.8959 82 I 4.9136 8.6001 123.5571 59.5335 40.6253 175.3405 83 V 4.3126 8.9483 126.8444 61.4687 34.1901 177.0007 84 G 3.9169 8.6190 119.7492 47.2412 0.0000 173.3381 85 T 4.0579 8.8289 116.0069 61.2107 69.4613 173.4110 86 A 5.5678 8.2177 124.4240 50.7013 22.3773 175.2243 87 A 5.2012 9.2482 121.1269 50.7155 23.2636 175.4267 88 S 5.3963 9.0970 113.8692 56.5770 66.5391 172.9764 89 A 5.3146 9.2121 122.4808 50.3364 23.0765 174.7097 90 R 5.0869 9.0856 120.3853 54.5981 33.2628 174.5896 91 I 5.1696 8.8330 126.2934 59.6952 41.0100 173.9079 92 D 5.5419 9.2575 126.8412 52.9023 43.6846 175.4715 93 T 5.1511 9.0921 119.0401 62.0129 72.5156 172.5898 94 D 4.9931 9.2718 126.2503 52.9207 43.8769 176.1917 95 D 4.1924 8.3855 119.4610 55.7983 38.2104 174.2094 96 I 4.1775 7.7810 119.6922 59.8863 39.1265 175.2616 97 S 3.5492 9.8220 127.4186 59.4656 60.6927 173.8946 98 G 3.5982 8.1413 106.6194 45.0770 0.0000 173.4140 99 F 4.8186 7.8378 118.5238 55.5284 42.4396 174.4882 100 R 5.0176 8.1463 120.1486 54.6843 32.7415 174.2050 101 F 5.7449 9.2578 124.3285 56.0739 43.4028 174.0877 102 T 5.0461 9.0422 117.6144 62.0308 71.3430 172.8443 103 D 5.3379 9.2222 126.4352 52.4326 44.1536 175.2215 104 F 5.3957 8.8298 120.9087 55.7255 42.2852 174.1605 105 F 5.2399 9.8154 122.2520 55.7373 42.2182 173.9527 106 N 5.3614 9.2602 121.1015 51.8760 40.4159 174.1478 107 L 5.5382 9.2661 123.3659 52.9982 46.1343 175.5401 108 L 5.2812 8.9241 120.3668 53.0478 46.1144 176.0831 109 K 3.8614 8.4499 124.8997 54.9217 31.9999 175.4289 110 V 4.0042 8.3570 127.8941 61.8503 32.5808 175.8934 111 E 3.9007 9.8126 128.4647 57.4648 26.8964 175.8764 112 G 3.8912 8.3710 105.3325 44.9183 0.0000 173.5946 113 K 4.6011 7.6146 119.2996 53.9395 35.5100 175.8876 114 W 4.7145 8.8347 124.9302 57.1626 30.0595 175.5686 115 T 4.6905 9.0141 117.7116 60.3914 70.9867 172.7446 116 V 4.3941 8.6018 128.7162 63.1073 32.2778 176.6017 117 V 4.3465 8.9255 120.3120 61.9441 34.1349 175.6514 118 S 5.1185 7.9723 114.7119 56.7066 66.0788 172.5103 119 K 4.9132 9.2723 128.1918 54.4627 35.1841 174.6721 120 I 5.7945 8.6972 119.1792 58.5121 41.4037 173.4505 121 Y 5.3321 7.8358 119.0763 56.0405 41.1543 173.3058 122 H 4.9725 9.5268 120.8170 54.7923 32.9150 172.4912 123 T 4.9615 8.4652 122.2752 62.7499 69.3042 174.4570 124 H 4.6710 9.0387 125.0176 54.4689 29.6844 173.9392 125 P 4.4923 0.0000 0.0000 62.6666 32.0499 176.6365 126 S 4.2762 8.4297 113.9140 58.9700 62.8265 174.4568 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 N 8.41 4.76 0.00 2.86 3.01 0.00 0.00 5.86 6.83 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 4 T 7.70 4.65 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 1.25 0.00 0.00 5 T 9.00 4.49 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 1.26 0.00 0.00 6 Y 8.45 3.98 0.00 3.09 3.02 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 7 V 8.03 3.62 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.02 0.00 0.00 8 Q 8.09 4.06 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 9 E 8.21 4.06 0.00 1.84 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 0.00 2.61 2.64 0.00 10 Y 8.02 3.55 0.00 2.23 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 11 H 8.45 4.17 0.00 3.26 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.92 4.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.32 1.35 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.36 0.44 0.00 0.00 14 V 7.53 3.27 1.84 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 0.91 0.00 0.00 0.26 0.00 0.00 15 E 7.83 3.84 0.00 2.11 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 0.00 2.31 2.31 0.00 16 V 7.28 3.66 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 0.84 0.00 0.00 1.07 0.00 0.00 17 L 7.97 3.73 0.00 1.48 1.44 0.58 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.61 4.07 0.00 3.89 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 19 K 7.80 4.03 0.00 1.98 2.06 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.60 7.81 20 Y 7.80 4.16 0.00 3.03 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 21 N 8.36 4.17 0.00 2.78 2.85 0.00 0.00 6.72 7.23 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 22 E 8.76 3.99 0.00 2.06 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 0.00 2.30 2.32 0.00 23 G 8.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.96 3.50 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 0.00 0.00 0.00 0.00 25 K 8.15 4.01 0.00 1.94 1.82 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 26 K 8.23 4.17 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.57 7.81 27 A 7.78 3.76 1.53 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 0.00 0.00 28 D 8.60 4.57 0.00 2.57 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 29 S 8.98 4.22 0.00 3.75 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 30 T 7.80 3.82 4.17 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 1.14 0.00 0.00 31 I 7.27 3.89 1.97 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 1.16 0.63 0.93 0.00 0.00 *33 R 8.03 4.21 0.00 1.39 1.75 0.00 3.05 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 34 P 0.00 4.37 0.00 2.09 2.11 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.16 4.15 1.04 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 0.00 0.00 36 F 8.12 5.30 0.00 3.15 3.06 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 37 S 9.09 4.44 0.00 3.97 3.92 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 38 S 8.93 4.23 0.00 4.05 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 39 Q 7.99 4.38 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 40 A 8.25 5.10 1.55 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 0.00 0.00 41 T 8.48 4.92 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 1.25 0.00 0.00 42 I 7.98 5.46 1.62 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.47 0.64 0.00 0.00 43 F 8.66 5.34 0.00 2.90 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 44 G 9.02 3.55 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 0.00 0.00 0.00 45 V 8.00 4.99 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 0.89 0.00 0.00 0.87 0.00 0.00 46 D 8.90 4.84 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 47 V 8.33 3.72 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.29 4.68 0.00 2.83 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 49 N 8.08 4.25 0.00 2.89 2.89 0.00 0.00 6.83 6.90 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 50 K 8.15 4.55 0.00 2.03 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.52 7.81 51 L 8.47 4.42 0.00 1.56 1.55 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.08 4.58 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 53 G 9.61 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 54 G 6.96 3.65 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 0.00 55 P 0.00 4.54 0.00 2.09 2.10 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 56 I 7.86 3.18 1.58 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.29 0.63 0.00 0.00 57 Q 7.85 3.78 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 58 G 7.82 3.51 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 0.00 59 L 7.21 3.65 0.00 1.36 1.14 0.69 0.66 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 60 F 7.25 4.45 0.00 3.13 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 61 D 8.18 4.33 0.00 2.81 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 62 V 7.36 3.46 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 0.53 0.00 0.00 0.84 0.00 0.00 63 I 7.55 3.29 1.97 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.89 0.00 0.00 64 D 7.97 4.47 0.00 2.66 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 65 N 8.29 4.80 0.00 2.78 2.86 0.00 0.00 6.80 7.85 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 66 V 7.66 4.24 2.37 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 1.08 0.00 0.00 0.99 0.00 0.00 67 F 7.50 4.61 0.00 3.20 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 68 H 8.44 5.19 0.00 3.00 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.89 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 4.44 0.00 1.95 2.02 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 70 S 9.16 4.66 0.00 3.69 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 71 P 0.00 4.28 0.00 2.17 2.18 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 E 8.10 4.02 0.00 2.22 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 2.31 1.87 0.00 73 A 7.59 4.49 1.35 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 74 K 9.06 4.63 0.00 1.70 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.46 7.81 75 A 8.85 5.36 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 76 A 9.30 4.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.61 4.28 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.86 0.00 0.00 78 A 8.72 4.25 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 79 R 7.67 4.66 0.00 1.95 1.84 0.00 3.47 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 80 I 8.51 4.98 2.03 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.70 0.00 0.00 81 D 9.22 4.98 0.00 2.71 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 82 I 8.60 4.91 1.96 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 0.96 0.00 0.00 83 V 8.95 4.31 2.16 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.62 3.92 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 0.00 0.00 0.00 85 T 8.83 4.06 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 1.13 0.00 0.00 86 A 8.22 5.57 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 87 A 9.25 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.10 5.40 0.00 3.95 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 89 A 9.21 5.31 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 90 R 9.09 5.09 0.00 2.12 1.87 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 91 I 8.83 5.17 2.20 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 1.25 0.61 1.18 0.00 0.00 92 D 9.26 5.54 0.00 2.68 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 93 T 9.09 5.15 4.51 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 1.36 0.00 0.00 94 D 9.27 4.99 0.00 2.56 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 95 D 8.39 4.19 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.78 4.18 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.70 1.25 0.00 0.00 97 S 9.82 3.55 0.00 2.72 3.37 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 98 G 8.14 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 0.00 0.00 0.00 99 F 7.84 4.82 0.00 2.73 1.86 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 0.00 100 R 8.15 5.02 0.00 1.79 1.70 0.00 3.10 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 101 F 9.26 5.74 0.00 3.13 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 0.00 102 T 9.04 5.05 4.28 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 0.83 0.00 0.00 103 D 9.22 5.34 0.00 2.74 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 0.00 0.00 0.00 104 F 8.83 5.40 0.00 2.87 2.83 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 0.00 105 F 9.82 5.24 0.00 2.95 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 0.00 106 N 9.26 5.36 0.00 2.69 2.81 0.00 0.00 6.51 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.27 5.54 0.00 1.69 1.86 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.92 5.28 0.00 1.59 1.47 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.45 3.86 0.00 0.79 0.91 0.00 1.03 0.00 0.00 1.19 0.00 0.00 2.50 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.78 0.21 7.81 110 V 8.36 4.00 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 0.89 0.00 0.00 0.88 0.00 0.00 111 E 9.81 3.90 0.00 2.06 1.93 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 2.19 2.24 0.00 112 G 8.37 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 0.00 113 K 7.61 4.60 0.00 1.75 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 114 W 8.83 4.71 0.00 3.11 3.06 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 0.00 115 T 9.01 4.69 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 1.31 0.00 0.00 116 V 8.60 4.39 1.79 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 1.22 0.00 0.00 0.60 0.00 0.00 117 V 8.93 4.35 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 0.70 0.00 0.00 1.06 0.00 0.00 118 S 7.97 5.12 0.00 3.92 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 0.00 119 K 9.27 4.91 0.00 1.72 1.53 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.03 0.27 7.81 120 I 8.70 5.79 1.90 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 0.98 1.73 0.97 0.00 0.00 121 Y 7.84 5.33 0.00 2.92 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 0.00 122 H 9.53 4.97 0.00 3.25 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.47 4.96 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 1.17 0.00 0.00 124 H 9.04 4.67 0.00 3.11 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.49 0.00 2.20 2.09 0.00 3.88 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 2.03 2.04 0.00 126 S 8.43 4.28 0.00 3.87 3.77 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 * Residues marked with a * may have inaccurate shift predictions.