NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3353 8.1593 110.9414 60.8256 70.9557 174.3209 2 P 4.2036 0.0000 0.0000 62.7291 31.5336 174.5304 3 Q 4.5036 8.2345 117.7952 55.9465 30.7840 176.3025 4 N 4.7793 7.3217 115.2568 50.8902 41.1583 174.8930 5 I 3.7195 8.1562 119.7980 64.2816 38.0372 177.8693 6 T 3.8688 7.7616 116.4866 66.6317 68.1703 176.3743 7 D 4.3933 7.9448 119.4519 57.0635 41.3264 178.0633 8 L 4.3128 7.9868 121.0997 58.3088 42.1882 178.1792 9 C 4.2360 8.4777 118.4217 59.6172 43.3326 175.4120 10 A 3.8839 7.7379 120.8020 54.6897 18.0220 178.7899 11 E 4.0063 8.0116 115.1304 57.1954 29.8310 176.3312 12 Y 4.7350 7.1699 116.0928 56.1101 41.1730 175.1049 13 H 4.7229 8.7529 119.2655 56.6597 29.9531 174.7584 14 N 4.3596 8.9614 117.4820 55.0107 35.6833 173.7947 15 T 5.2798 7.8660 106.2348 60.2761 72.1430 172.5397 16 Q 4.6087 8.6333 118.4732 55.3570 32.4672 173.0158 17 I 4.6881 8.1764 120.9836 60.4275 38.8067 174.7850 18 H 4.7395 9.1724 124.7524 54.5112 30.7953 174.0026 19 T 4.5780 8.4722 120.5426 62.7994 68.7209 173.9798 20 L 4.1438 8.9371 127.0774 55.0488 43.2374 177.7691 21 N 4.2000 7.9768 113.1815 53.4013 36.3886 172.9826 22 D 4.7826 7.9591 115.2327 52.6388 45.0385 174.3986 23 K 4.9563 8.3709 122.0913 55.7504 33.5612 176.7572 24 I 3.2550 8.1079 120.9994 61.3508 37.6515 176.0155 25 F 4.8425 8.7948 127.7139 60.1792 40.3855 175.8700 26 S 4.3857 7.6892 111.0813 56.7468 66.7198 172.7021 27 Y 4.8018 7.7678 121.6756 56.1020 41.3518 174.3770 28 T 4.4927 8.2342 122.9697 61.5453 72.1885 172.6193 29 E 4.8726 8.5162 125.4124 54.4088 33.0994 174.3635 30 S 4.8148 8.8280 120.3666 56.2710 65.8837 173.9775 31 L 4.6715 8.4983 124.1974 55.1392 41.0646 176.3772 32 A 4.0906 7.9095 123.6756 51.8215 18.8701 177.7984 33 G 3.8194 8.5081 110.5572 47.0493 0.0000 174.0114 34 K 4.0322 9.3094 122.2732 56.9454 29.9465 176.0673 35 R 4.6403 8.0759 117.8218 55.6943 31.2069 176.7442 36 E 4.8309 8.3589 119.0298 55.5320 29.9036 176.3657 37 M 4.8374 8.0552 120.8167 54.2684 35.1590 173.0828 38 A 5.0132 8.3658 118.9569 50.1351 22.9353 175.1846 39 I 5.1319 8.4462 120.6821 59.3766 41.1879 174.7477 40 I 5.1449 9.0347 119.7829 59.2875 40.9880 174.3626 41 T 5.3618 8.4767 112.6881 60.2325 72.7019 172.4626 42 F 5.3224 8.9581 120.5458 55.2243 42.1393 177.1318 43 K 3.4176 8.9470 119.1958 59.1961 32.4667 177.5239 44 N 4.4715 8.1429 115.3689 53.0461 37.5517 175.8162 45 G 3.8561 8.4391 108.2877 44.8983 0.0000 173.8183 46 A 4.0463 8.5101 123.0888 52.3042 19.3881 176.8275 47 T 4.9811 7.7545 118.1703 61.7001 71.9246 173.5712 48 F 5.3001 9.0884 123.1379 55.9141 43.7850 173.5751 49 Q 5.1918 9.0654 119.7760 54.4771 32.2958 174.3817 50 V 4.3102 8.3694 120.9870 61.3657 32.8603 175.5662 51 E 4.5532 8.8577 127.0932 55.4080 30.1073 177.0137 52 V 3.8612 8.1192 121.0902 61.6810 32.0585 174.1555 53 P 4.3211 0.0000 0.0000 63.2282 31.8833 175.7653 54 G 4.1151 8.5073 113.1302 44.8494 0.0000 173.1787 *55 S 4.2979 8.5952 114.6426 60.3671 62.6271 170.9877 56 Q 4.1135 7.9144 115.4431 58.0705 28.6769 174.9865 57 H 5.0757 7.7016 117.1138 53.9939 30.7798 174.4552 58 I 4.2488 8.5694 117.8258 59.7893 39.2341 176.6284 59 D 4.3760 8.7856 120.7523 57.7101 40.3720 179.3297 60 S 4.2569 8.0848 112.3475 61.1287 63.0740 175.7537 61 Q 4.2256 8.3167 121.6574 57.8222 28.4409 178.2363 62 K 4.0117 8.1734 122.7750 60.0238 32.0196 180.0464 63 K 4.0256 8.0528 123.2352 59.5986 31.6051 180.7220 64 A 4.2245 7.8580 120.5979 55.0453 18.4314 179.5750 65 I 3.6560 8.0225 118.7444 64.6567 37.2544 178.5252 66 E 3.9731 7.9725 119.5144 59.2823 29.2596 179.1179 67 R 3.8938 8.2203 119.0314 59.8710 30.0162 178.2302 68 M 4.0550 8.3060 117.8921 58.5798 32.2797 178.3193 69 K 4.0754 8.1261 118.6852 59.5042 32.1958 179.0519 70 D 4.3718 8.1072 119.0416 57.6951 40.6837 178.9940 71 T 3.9095 8.0430 116.2936 66.6584 68.3763 176.8567 72 L 4.0627 8.2518 121.1063 57.5830 41.6226 179.5717 73 R 3.2222 7.9228 118.6257 59.3698 30.0599 178.5427 74 I 3.6643 7.8099 118.1728 63.7405 37.8697 177.6104 75 A 3.9925 8.2558 122.0832 55.1756 18.3281 178.9410 76 Y 4.0243 8.2342 118.1677 61.0143 38.7657 178.2931 77 L 3.8465 7.8846 117.9012 56.4566 41.8632 178.3082 78 T 4.2731 7.6272 107.7366 60.2522 69.5340 174.0069 79 E 3.6101 7.7272 119.1991 57.4639 27.6066 174.5115 80 A 4.2078 8.0265 120.6816 51.3954 19.7364 178.0388 81 K 4.2276 8.7564 124.3908 56.7779 33.5742 175.9398 82 V 4.1034 9.0480 122.0631 60.9663 32.8931 176.1768 83 E 4.1241 9.4369 127.9737 57.9981 29.9824 175.7649 84 K 5.0931 8.3404 117.4750 54.5244 37.1634 174.6120 85 L 4.9291 8.6034 122.7001 53.0822 44.8232 174.4963 86 C 5.0910 8.7664 123.5346 55.2541 46.2868 172.8670 87 V 4.8508 8.4057 118.3716 59.1159 36.3250 174.6371 88 W 4.9173 9.0673 123.8966 56.4713 29.9124 176.4817 89 N 4.5956 9.0696 122.0556 52.3971 37.4989 175.0695 90 N 4.8802 8.3094 114.8402 52.7381 37.8054 174.4649 91 K 4.7354 7.8730 117.9179 55.1585 35.1458 175.0464 92 T 4.6043 8.2037 117.5205 60.9194 71.0574 172.4268 93 P 4.5640 0.0000 0.0000 62.3321 32.8622 175.6525 94 H 4.8830 8.9334 116.2773 55.7620 30.0246 174.3805 95 A 5.3217 8.8521 124.1008 50.3291 20.9670 176.5118 96 I 4.1186 8.8840 124.7652 61.6699 37.1015 175.9280 97 A 4.4563 8.7882 128.2038 52.9949 20.7396 176.4510 98 A 4.5170 7.2201 114.1439 51.1092 22.6594 175.2364 99 I 5.0213 8.2094 118.8993 59.1337 41.4866 174.5929 100 S 4.8832 8.9937 122.0110 56.7712 66.1477 172.6503 101 M 5.2532 8.4688 120.7176 53.7345 35.0485 174.6479 102 A 4.4650 8.4935 123.2195 51.9079 22.9706 176.1137 103 N 4.5014 8.8172 117.3953 53.9030 38.6852 174.4235 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 1 T 8.16 4.34 4.24 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 1.22 0.00 0.00 2 P 0.00 4.20 0.00 2.29 2.12 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 2.01 2.25 0.00 3 Q 8.23 4.50 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 4 N 7.32 4.78 0.00 2.85 2.88 0.00 0.00 5.86 7.81 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 5 I 8.16 3.72 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 1.56 1.46 0.87 0.00 0.00 6 T 7.76 3.87 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 1.19 0.00 0.00 7 D 7.94 4.39 0.00 2.64 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 8 L 7.99 4.31 0.00 1.87 1.80 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.48 4.24 0.00 3.18 3.03 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 10 A 7.74 3.88 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 11 E 8.01 4.01 0.00 1.90 1.69 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 2.28 2.54 0.00 12 Y 7.17 4.73 0.00 2.91 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 13 H 8.75 4.72 0.00 3.27 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.96 4.36 0.00 3.19 3.07 0.00 0.00 6.53 7.05 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 15 T 7.87 5.28 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 0.85 0.00 0.00 16 Q 8.63 4.61 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 17 I 8.18 4.69 1.82 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 1.29 0.82 0.85 0.00 0.00 18 H 9.17 4.74 0.00 2.92 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.47 4.58 4.20 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 1.17 0.00 0.00 20 L 8.94 4.14 0.00 1.33 1.36 0.41 0.68 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 21 N 7.98 4.20 0.00 2.78 2.83 0.00 0.00 6.60 8.06 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 22 D 7.96 4.78 0.00 2.94 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 23 K 8.37 4.96 0.00 1.96 1.86 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 I 8.11 3.25 2.04 0.00 0.00 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 0.97 0.54 0.88 0.00 0.00 25 F 8.79 4.84 0.00 3.04 3.24 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 26 S 7.69 4.39 0.00 3.73 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 27 Y 7.77 4.80 0.00 2.46 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.23 4.49 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 1.09 0.00 0.00 29 E 8.52 4.87 0.00 1.77 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 0.00 2.19 2.31 0.00 30 S 8.83 4.81 0.00 3.88 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 31 L 8.50 4.67 0.00 1.74 1.71 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.91 4.09 1.28 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 0.00 0.00 33 G 8.51 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 0.00 0.00 0.00 34 K 9.31 4.03 0.00 2.19 1.98 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.02 7.81 35 R 8.08 4.64 0.00 1.70 1.84 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.36 4.83 0.00 1.97 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 2.39 2.20 0.00 37 M 8.06 4.84 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 38 A 8.37 5.01 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 39 I 8.45 5.13 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.92 0.00 0.00 40 I 9.03 5.14 1.80 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.99 0.00 0.00 41 T 8.48 5.36 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 1.22 0.00 0.00 42 F 8.96 5.32 0.00 3.27 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 43 K 8.95 3.42 0.00 1.46 1.79 0.00 1.55 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.66 1.39 7.81 44 N 8.14 4.47 0.00 2.83 2.96 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.44 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 46 A 8.51 4.05 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 47 T 7.75 4.98 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 1.12 0.00 0.00 48 F 9.09 5.30 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 49 Q 9.07 5.19 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 50 V 8.37 4.31 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 0.98 0.00 0.00 0.99 0.00 0.00 51 E 8.86 4.55 0.00 2.09 1.95 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 2.51 2.36 0.00 52 V 8.12 3.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 53 P 0.00 4.32 0.00 2.09 2.00 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 54 G 8.51 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 0.00 0.00 0.00 0.00 *55 S 8.60 4.30 0.00 3.64 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 56 Q 7.91 4.11 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.85 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 57 H 7.70 5.08 0.00 3.28 3.21 0.00 5.66 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 58 I 8.57 4.25 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 1.57 0.85 0.93 0.00 0.00 59 D 8.79 4.38 0.00 2.72 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 60 S 8.08 4.26 0.00 4.05 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 61 Q 8.32 4.23 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 62 K 8.17 4.01 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 63 K 8.05 4.03 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 64 A 7.86 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.02 3.66 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.90 0.00 0.00 66 E 7.97 3.97 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 67 R 8.22 3.89 0.00 1.95 2.13 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 68 M 8.31 4.05 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 69 K 8.13 4.08 0.00 2.05 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.67 7.81 70 D 8.11 4.37 0.00 2.96 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 71 T 8.04 3.91 4.43 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 1.23 0.00 0.00 72 L 8.25 4.06 0.00 1.90 1.92 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.92 3.22 0.00 1.56 1.93 0.00 2.98 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.00 74 I 7.81 3.66 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 1.00 0.00 0.00 75 A 8.26 3.99 1.44 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 0.00 0.00 76 Y 8.23 4.02 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.88 3.85 0.00 1.58 1.61 0.86 0.74 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 78 T 7.63 4.27 4.20 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 1.21 0.00 0.00 79 E 7.73 3.61 0.00 2.12 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 2.05 2.08 0.00 80 A 8.03 4.21 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 81 K 8.76 4.23 0.00 1.89 1.87 0.00 1.94 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 82 V 9.05 4.10 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 0.95 0.00 0.00 0.99 0.00 0.00 83 E 9.44 4.12 0.00 2.03 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 2.26 2.27 0.00 84 K 8.34 5.09 0.00 1.62 1.53 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.60 4.93 0.00 1.11 1.16 -0.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.77 5.09 0.00 2.83 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 87 V 8.41 4.85 2.29 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 0.67 0.00 0.00 1.06 0.00 0.00 88 W 9.07 4.92 0.00 3.44 3.24 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 89 N 9.07 4.60 0.00 2.55 2.76 0.00 0.00 6.98 7.59 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 90 N 8.31 4.88 0.00 2.89 3.01 0.00 0.00 5.99 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 91 K 7.87 4.74 0.00 1.91 1.78 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.45 7.81 92 T 8.20 4.60 4.25 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 1.19 0.00 0.00 93 P 0.00 4.56 0.00 2.10 1.96 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 94 H 8.93 4.88 0.00 3.37 3.47 0.00 5.89 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 95 A 8.85 5.32 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.88 4.12 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.78 0.89 0.00 0.00 97 A 8.79 4.46 -0.03 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 98 A 7.22 4.52 1.08 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 0.00 0.00 99 I 8.21 5.02 1.84 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 1.40 0.98 0.91 0.00 0.00 100 S 8.99 4.88 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.47 5.25 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 102 A 8.49 4.46 1.20 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 0.00 0.00 103 N 8.82 4.50 0.00 2.90 2.83 0.00 0.00 6.83 7.56 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 * Residues marked with a * may have inaccurate shift predictions.