NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5478 8.3349 115.4176 58.0874 63.5358 171.9256 5 F 4.8373 8.1504 125.5419 54.8604 42.7683 172.6093 6 P 4.7103 0.0000 0.0000 62.5757 32.3368 175.9087 7 T 4.5510 8.5065 110.5210 61.8791 70.9867 173.9985 8 R 4.8916 7.6420 122.8474 54.5002 33.6515 173.4246 9 V 4.3945 8.0796 126.2981 61.2684 33.3972 173.6126 10 Y 5.0055 8.6448 126.2488 56.3081 40.4063 174.7596 11 L 4.7712 8.9228 123.9644 52.9744 44.3561 175.2041 12 L 5.1479 8.3438 127.1185 53.0803 44.5364 175.4474 13 R 4.4772 8.8595 127.6390 55.6622 31.6885 175.5258 14 H 4.6177 8.3202 120.0133 55.5980 29.8295 174.7012 15 A 4.4680 8.4465 122.2961 51.1302 19.9037 177.1834 16 K 3.9512 8.1456 120.9501 57.1428 32.8609 175.8766 17 A 5.0139 8.4916 128.4421 50.4468 21.4113 175.7549 18 A 4.5011 8.1935 121.7534 50.5985 21.2096 176.6785 19 W 4.3992 8.5447 118.6910 54.9770 30.9259 176.4047 *25 R 4.0575 8.3164 122.4829 55.8933 29.9828 174.9717 26 D 4.3741 8.9176 126.1003 57.3600 41.8622 177.9022 27 F 3.4821 8.5798 120.7245 61.4874 39.1366 175.9848 28 D 4.5910 7.8030 116.1734 54.5362 40.6221 176.6685 29 R 4.0546 7.8532 119.4621 56.2251 30.9947 176.5931 30 G 3.9649 8.3118 109.4123 44.4245 0.0000 172.2426 31 L 4.5777 8.6429 120.9045 54.1407 42.2493 178.5476 32 N 4.7688 8.3724 121.3746 51.9226 40.4214 175.5966 33 E 4.1478 8.7998 118.4952 59.9487 29.4924 179.3041 34 A 4.1528 8.1297 120.2053 55.0146 18.1718 179.3945 35 G 4.0668 8.5296 105.9271 47.5455 0.0000 175.6113 36 F 4.3556 8.7942 120.7787 60.2513 38.8529 177.8070 37 A 4.0856 8.2435 120.2138 55.0868 18.2752 179.5119 38 E 3.9041 8.4527 116.9991 59.6429 29.5207 179.5383 39 A 4.2492 7.7516 121.7357 54.3937 18.3346 179.2009 40 E 3.7768 7.9674 117.4962 59.5318 29.7187 178.9023 41 I 3.6327 7.8811 119.8777 64.5878 36.9907 178.5376 42 I 3.6310 8.1381 118.8510 64.5052 37.3537 177.9016 43 A 2.5800 7.6960 121.6283 55.0581 17.6841 179.1731 44 D 4.0309 8.0979 117.0525 57.4901 40.9517 178.9822 45 L 3.7845 7.9487 120.3731 58.1857 41.9417 178.7883 46 A 4.0032 7.7177 120.4355 55.0291 18.2715 179.1375 47 A 4.0762 7.3527 116.7434 53.6295 18.3132 178.5056 48 D 4.2784 6.9173 116.4724 56.9682 41.7054 178.0537 49 R 3.8156 7.3240 115.1107 56.1076 30.0700 176.7223 50 R 3.9888 7.7101 116.2947 57.7237 27.5928 176.8450 51 Y 4.9859 8.1332 113.6655 56.6534 36.3531 175.9938 52 R 3.8125 7.8095 119.8929 54.2024 31.4725 173.5340 53 P 4.8651 0.0000 0.0000 61.6358 33.3571 175.5745 54 D 4.5134 8.6149 121.2040 56.8577 41.8371 176.1066 55 L 5.0788 7.8098 119.6503 53.1079 45.5409 174.8893 56 I 4.2873 9.0344 127.7062 59.5584 39.5014 174.3752 57 L 4.8762 8.1762 127.3731 53.0406 43.8014 175.5472 58 S 4.9105 8.4346 118.1886 55.8482 66.0894 173.0946 59 S 4.8180 8.7676 120.9284 59.2855 62.6328 174.6788 60 T 4.1832 8.9439 113.4353 62.7417 69.5713 174.5733 61 A 2.6146 8.0288 126.5766 51.7522 19.1036 177.5511 62 A 3.8581 7.2018 124.9997 55.3233 17.9876 180.3105 63 R 3.7902 7.7360 113.3038 58.9389 29.0979 178.0780 64 C 4.1882 8.5342 118.3877 61.7683 28.7046 175.7819 65 R 4.0220 7.7115 119.1573 59.5944 29.4752 178.9432 66 Q 4.0298 8.1391 116.3795 59.2148 29.0163 178.3564 67 T 4.1249 7.4645 116.1948 67.3135 68.7026 176.3706 68 T 3.8704 8.2365 117.3233 67.0275 68.0737 176.4314 69 Q 4.2836 8.4896 119.6539 59.1434 28.6825 179.4246 70 A 4.1046 8.1502 121.6201 55.0523 18.3727 179.5303 71 W 4.1861 8.6862 116.9729 60.2857 29.1964 178.3176 72 Q 4.1487 8.2617 117.4275 59.1919 27.8870 179.5608 73 R 3.8267 7.5374 117.2530 59.5313 30.3655 177.9931 74 A 3.9178 7.8224 119.0550 54.3878 18.3072 178.0160 75 F 4.4686 8.0080 113.1748 57.2245 41.1568 174.9725 76 N 4.7390 8.3784 118.7986 51.7194 40.6399 173.6494 *79 I 3.9016 7.8284 120.0070 60.7761 38.3194 175.5121 80 D 4.6535 8.3758 124.5371 54.3367 41.6577 175.4282 81 I 4.9611 8.2437 116.4182 59.1110 40.5966 175.0462 82 V 4.3990 8.6017 118.7258 59.6252 35.4639 173.9158 83 Y 5.1731 8.5658 121.6685 56.4992 38.8350 175.5542 84 I 4.4431 8.6044 123.9110 59.5862 39.9696 175.6211 85 D 5.1711 9.0733 127.5237 56.8121 41.4161 178.3528 86 E 4.1926 7.2964 117.5104 55.8179 27.8124 176.0760 *88 Y 4.2551 7.3685 119.1612 58.8291 40.7679 174.0101 89 N 3.7084 8.0070 124.6156 54.4118 37.1117 173.6963 90 A 4.3311 7.3722 120.7999 51.8878 19.6450 178.5645 91 R 4.0163 8.5533 117.9297 57.9181 29.9473 176.9082 92 S 4.7422 7.5506 112.9336 56.3687 64.9003 174.0407 93 E 4.0073 8.4577 119.3834 58.3660 29.8895 176.1346 94 T 4.3526 7.2982 107.5856 60.4226 72.1102 172.7515 95 Y 4.8146 8.1804 115.8843 57.9159 38.3515 177.9701 96 L 4.0051 7.6766 123.4653 58.3101 41.6088 179.7639 97 S 4.2174 8.0545 114.5147 61.3871 62.6515 176.2942 98 L 4.0202 7.5624 121.1497 58.0659 41.7429 179.3355 99 I 3.7697 7.7380 119.0199 64.4230 36.9640 178.1995 100 A 4.1173 8.1358 121.2325 55.0533 18.3838 178.8802 101 A 4.1324 7.7493 118.5758 54.7051 19.4025 178.4974 102 Q 4.3620 7.8180 118.0852 54.8058 27.2572 176.6377 103 T 4.3571 7.7869 109.6933 63.2837 69.7983 175.3708 104 E 4.9460 7.9967 121.1118 56.1270 30.2316 175.7650 105 V 4.4636 7.7669 117.1340 60.9447 34.4569 175.3613 106 Q 3.0969 8.9911 128.9538 58.3361 30.0142 175.6967 107 S 5.2107 8.4855 113.4443 56.5837 66.4958 173.5668 108 V 5.0877 8.1722 121.1417 59.2244 35.5091 173.5574 *110 L 4.2225 8.2900 118.2674 54.8668 43.3620 176.5660 111 V 4.0109 8.4280 123.9285 60.3461 32.7265 173.4129 112 G 3.9356 7.9387 120.4789 45.7635 0.0000 169.4310 113 H 5.1422 9.0130 119.7918 53.5810 32.4915 173.3277 114 N 4.4927 8.5140 119.1149 52.7042 39.1255 174.0271 115 P 4.3616 0.0000 0.0000 65.4399 32.1315 178.6922 116 T 4.0125 7.6866 113.9538 63.6531 68.5509 175.0437 *118 E 4.3247 8.3495 124.0597 56.2525 31.4914 177.7003 119 A 4.0129 8.3178 120.8219 55.3539 18.0790 179.6570 120 T 3.7727 7.6309 113.3538 66.7353 68.6206 176.2586 121 L 4.1348 7.8445 120.4049 57.9740 42.5763 177.9143 122 E 4.1407 8.3734 119.0979 59.3667 29.3482 178.6142 123 A 3.9512 7.9089 117.2849 53.6917 18.8905 178.0617 *125 I 3.9984 7.6671 111.4637 60.4414 39.7094 176.9856 126 G 4.1409 8.5826 107.2127 45.7851 0.0000 174.3648 127 E 3.9768 8.7293 118.4790 59.4916 29.4947 179.1192 128 D 4.3506 8.0717 119.3322 57.0779 40.9607 178.7433 129 L 3.9808 7.8896 118.8434 57.6109 41.8538 178.5300 130 L 3.8351 7.8168 120.1499 58.8693 41.6948 178.4944 131 H 4.0446 8.4966 115.1101 59.2690 28.9178 177.4183 132 A 4.0759 7.8436 120.1342 54.6193 18.1607 178.9405 133 A 4.4242 7.8000 118.3973 52.8795 19.8342 177.3083 134 L 4.3813 7.9549 117.9695 51.8947 42.7748 174.4979 135 P 4.2443 0.0000 0.0000 64.6814 31.5296 177.9548 136 S 4.5320 8.1240 110.0746 57.6973 63.2129 174.5723 137 G 3.6900 8.0893 108.5792 45.1207 0.0000 173.0309 138 F 4.4594 8.6484 121.7468 55.9436 38.7111 173.9870 139 P 4.7054 0.0000 0.0000 61.8870 32.2543 175.8593 140 T 4.2052 8.3192 109.3831 62.9783 68.9695 173.8429 141 S 4.3303 8.1685 117.2758 57.9347 61.9438 171.3936 142 G 4.0325 8.0349 105.1179 45.3251 0.0000 173.2110 143 L 4.8607 8.4959 126.8192 52.9180 44.6650 174.9815 144 A 4.2842 8.3975 129.4696 51.1887 20.3571 175.9381 145 V 4.3670 8.5935 122.5755 61.0327 33.9004 174.3686 146 L 5.3416 8.4527 127.8647 53.0589 44.8372 175.4921 147 D 5.7028 8.9880 121.1302 51.3934 45.4380 175.4789 148 Q 4.1635 8.6255 119.8095 55.8732 29.6205 175.8890 *157 N 4.7291 8.6542 116.5100 53.2073 40.3423 175.3917 158 R 4.5005 7.1242 110.3043 54.3689 32.0433 174.3342 159 W 4.6353 8.5247 120.1449 56.8088 29.8785 175.7912 160 R 4.7789 9.9129 123.0199 54.1461 32.2632 175.1788 161 L 4.4668 8.6503 126.0250 55.2692 42.3510 176.2948 162 I 4.6102 8.2699 124.5997 61.5708 39.9818 175.0393 163 D 4.6586 7.6418 118.1405 53.4936 44.4366 174.2049 164 F 5.0915 8.8903 125.1516 56.4934 42.7097 173.3635 165 L 4.9499 8.5340 125.9232 53.0949 43.6510 175.4231 166 A 5.1382 8.6119 124.3407 49.4723 22.7685 174.0184 167 P 4.4099 0.0000 0.0000 62.8265 31.6019 176.5753 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 S 8.33 4.55 0.00 4.11 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 5 F 8.15 4.84 0.00 3.17 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 6 P 0.00 4.71 0.00 2.12 1.92 0.00 3.88 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 7 T 8.51 4.55 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 0.99 0.00 0.00 8 R 7.64 4.89 0.00 1.67 1.47 0.00 2.93 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 9 V 8.08 4.39 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 0.62 0.00 0.00 0.08 0.00 0.00 10 Y 8.64 5.01 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.92 4.77 0.00 1.71 1.68 1.02 0.54 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 12 L 8.34 5.15 0.00 1.50 1.40 1.09 0.28 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 13 R 8.86 4.48 0.00 1.94 2.11 0.00 3.09 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 14 H 8.32 4.62 0.00 3.44 3.33 0.00 5.51 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 15 A 8.45 4.47 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 16 K 8.15 3.95 0.00 2.06 1.79 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 17 A 8.49 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.19 4.50 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 19 W 8.54 4.40 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 *25 R 8.32 4.06 0.00 1.91 1.93 0.00 3.22 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 26 D 8.92 4.37 0.00 2.90 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 27 F 8.58 3.48 0.00 2.76 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 28 D 7.80 4.59 0.00 2.86 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 29 R 7.85 4.05 0.00 1.60 1.83 0.00 3.04 0.00 0.00 3.60 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 30 G 8.31 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 0.00 0.00 0.00 31 L 8.64 4.58 0.00 0.27 0.71 0.38 0.91 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 32 N 8.37 4.77 0.00 2.96 2.99 0.00 0.00 6.27 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 33 E 8.80 4.15 0.00 2.07 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 2.48 2.38 0.00 34 A 8.13 4.15 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 35 G 8.53 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 36 F 8.79 4.36 0.00 3.38 3.04 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 37 A 8.24 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 3.90 0.00 2.23 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 2.37 2.52 0.00 39 A 7.75 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.78 0.00 2.08 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 2.26 2.29 0.00 41 I 7.88 3.63 1.99 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 1.52 0.26 0.90 0.00 0.00 42 I 8.14 3.63 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.97 1.08 0.00 0.00 43 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.10 4.03 0.00 2.81 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 45 L 7.95 3.78 0.00 1.92 1.71 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.72 4.00 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 47 A 7.35 4.08 -0.05 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 0.00 0.00 48 D 6.92 4.28 0.00 2.54 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 49 R 7.32 3.82 0.00 0.75 0.66 0.00 3.34 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 50 R 7.71 3.99 0.00 2.01 2.17 0.00 3.43 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 51 Y 8.13 4.99 0.00 3.15 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 52 R 7.81 3.81 0.00 1.96 1.91 0.00 3.35 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.00 53 P 0.00 4.87 0.00 2.07 2.06 0.00 3.18 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 54 D 8.61 4.51 0.00 2.66 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 55 L 7.81 5.08 0.00 1.67 1.41 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.03 4.29 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.38 0.62 0.00 0.00 57 L 8.18 4.88 0.00 1.37 1.39 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.43 4.91 0.00 3.64 3.31 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 59 S 8.77 4.82 0.00 4.03 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 60 T 8.94 4.18 4.44 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 1.41 0.00 0.00 61 A 8.03 2.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.20 3.86 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 63 R 7.74 3.79 0.00 1.83 2.15 0.00 2.39 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 64 C 8.53 4.19 0.00 3.02 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 65 R 7.71 4.02 0.00 1.80 1.85 0.00 2.91 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.71 0.00 66 Q 8.14 4.03 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 67 T 7.46 4.12 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 1.33 0.00 0.00 68 T 8.24 3.87 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 1.25 0.00 0.00 69 Q 8.49 4.28 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 70 A 8.15 4.10 1.47 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 0.00 0.00 0.00 71 W 8.69 4.19 0.00 3.59 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 4.15 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 73 R 7.54 3.83 0.00 2.14 2.00 0.00 3.33 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 74 A 7.82 3.92 0.97 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 0.00 0.00 75 F 8.01 4.47 0.00 3.12 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 76 N 8.38 4.74 0.00 2.88 2.71 0.00 0.00 7.16 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 *79 I 7.83 3.90 1.84 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 1.33 0.65 0.88 0.00 0.00 80 D 8.38 4.65 0.00 2.84 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 81 I 8.24 4.96 1.59 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.74 0.87 0.00 0.00 82 V 8.60 4.40 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 0.73 0.00 0.00 0.83 0.00 0.00 83 Y 8.57 5.17 0.00 2.89 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 84 I 8.60 4.44 1.87 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 1.23 0.94 0.94 0.00 0.00 85 D 9.07 5.17 0.00 2.70 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 86 E 7.30 4.19 0.00 1.92 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 2.35 2.33 0.00 *88 Y 7.37 4.26 0.00 3.15 3.23 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 89 N 8.01 3.71 0.00 1.99 2.52 0.00 0.00 7.13 7.96 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 90 A 7.37 4.33 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 91 R 8.55 4.02 0.00 1.91 2.05 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 92 S 7.55 4.74 0.00 4.02 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 93 E 8.46 4.01 0.00 2.10 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 0.00 2.31 2.24 0.00 94 T 7.30 4.35 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 1.18 0.00 0.00 95 Y 8.18 4.81 0.00 2.98 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 96 L 7.68 4.01 0.00 1.68 1.78 0.95 0.99 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 97 S 8.05 4.22 0.00 3.90 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 98 L 7.56 4.02 0.00 1.77 1.69 0.83 0.83 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 99 I 7.74 3.77 2.01 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 1.44 1.05 0.83 0.00 0.00 100 A 8.14 4.12 1.43 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 0.00 101 A 7.75 4.13 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 Q 7.82 4.36 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 103 T 7.79 4.36 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 1.25 0.00 0.00 104 E 8.00 4.95 0.00 1.96 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 2.11 2.24 0.00 105 V 7.77 4.46 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 1.01 0.00 0.00 0.96 0.00 0.00 106 Q 8.99 3.10 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.14 1.86 0.00 107 S 8.49 5.21 0.00 3.93 3.80 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 0.00 108 V 8.17 5.09 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 1.11 0.00 0.00 0.88 0.00 0.00 *110 L 8.29 4.22 0.00 1.45 1.30 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.43 4.01 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 1.11 0.00 0.00 0.58 0.00 0.00 112 G 7.94 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 0.00 0.00 0.00 113 H 9.01 5.14 0.00 3.14 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.51 4.49 0.00 2.71 2.75 0.00 0.00 6.99 8.02 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 0.00 115 P 0.00 4.36 0.00 2.23 2.27 0.00 3.38 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 2.00 2.06 0.00 116 T 7.69 4.01 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 0.17 0.00 0.00 *118 E 8.35 4.32 0.00 2.27 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 2.38 2.57 0.00 119 A 8.32 4.01 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 0.00 120 T 7.63 3.77 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 1.21 0.00 0.00 121 L 7.84 4.13 0.00 1.90 2.08 1.03 1.17 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 0.00 122 E 8.37 4.14 0.00 2.24 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 2.34 2.38 0.00 123 A 7.91 3.95 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 *125 I 7.67 4.00 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.70 0.99 0.00 0.00 126 G 8.58 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 0.00 0.00 0.00 127 E 8.73 3.98 0.00 2.20 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 2.36 2.40 0.00 128 D 8.07 4.35 0.00 2.71 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 0.00 129 L 7.89 3.98 0.00 1.91 1.73 0.95 0.52 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 0.00 130 L 7.82 3.84 0.00 1.97 1.94 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.50 4.04 0.00 3.34 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.84 4.08 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 0.00 133 A 7.80 4.42 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 0.00 134 L 7.95 4.38 0.00 1.37 1.57 0.47 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.24 0.00 1.98 2.06 0.00 3.54 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 1.97 2.01 0.00 136 S 8.12 4.53 0.00 3.95 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 0.00 137 G 8.09 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 0.00 138 F 8.65 4.46 0.00 3.11 3.08 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 0.00 139 P 0.00 4.71 0.00 2.36 2.24 0.00 3.75 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.00 0.00 140 T 8.32 4.21 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 1.19 0.00 0.00 141 S 8.17 4.33 0.00 4.10 3.97 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 0.00 142 G 8.03 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 0.00 0.00 0.00 143 L 8.50 4.86 0.00 1.80 1.51 0.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.40 4.28 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 0.00 145 V 8.59 4.37 1.87 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 0.33 0.00 0.00 0.59 0.00 0.00 146 L 8.45 5.34 0.00 1.31 1.41 0.77 0.95 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 0.00 147 D 8.99 5.70 0.00 2.58 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 0.00 148 Q 8.63 4.16 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 1.16 2.13 0.00 *157 N 8.65 4.73 0.00 2.65 2.86 0.00 0.00 6.66 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 0.00 158 R 7.12 4.50 0.00 1.86 1.81 0.00 3.05 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 159 W 8.52 4.64 0.00 3.30 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 0.00 160 R 9.91 4.78 0.00 1.77 1.86 0.00 3.32 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 161 L 8.65 4.47 0.00 1.70 1.62 1.13 1.08 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 0.00 162 I 8.27 4.61 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.94 0.00 0.00 163 D 7.64 4.66 0.00 2.81 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 0.00 164 F 8.89 5.09 0.00 3.02 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 0.00 165 L 8.53 4.95 0.00 1.63 1.61 1.08 0.79 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 0.00 166 A 8.61 5.14 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 0.00 167 P 0.00 4.41 0.00 2.09 2.00 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.