NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5957 8.4449 120.3888 56.1205 31.2007 172.6484 *2 I 4.1385 8.1855 120.3584 61.0470 38.5779 177.1408 3 Q 4.0712 7.7296 116.0580 56.2326 28.8797 176.0514 4 S 4.5806 8.2885 115.8194 58.6636 64.4037 172.7173 5 Y 5.2618 8.5421 118.9410 55.5301 40.5101 174.2659 6 P 4.8129 0.0000 0.0000 62.6605 32.6321 177.2576 7 V 3.6611 8.5827 121.2039 66.6264 30.9710 178.1774 8 E 3.9275 8.2070 118.1951 59.0042 29.1615 178.3093 9 R 3.7606 7.7071 118.6102 58.6699 29.8387 176.9702 10 S 4.6719 7.9307 109.8250 57.3895 64.0983 173.4911 11 R 4.4791 7.4640 122.2231 57.6893 30.3865 175.7977 12 T 4.8289 9.2392 121.8843 61.8303 72.7310 172.8268 13 I 5.0973 8.4402 125.0198 59.7033 40.3022 174.8950 14 Q 4.7204 9.1239 124.3005 54.5241 33.1957 174.4315 15 T 5.1918 8.3096 117.5561 61.9794 72.5317 173.5514 16 R 4.6145 8.7930 121.7050 54.3561 33.2142 174.1549 17 L 4.5031 8.4286 124.3739 54.9990 43.3186 176.2002 18 V 3.9691 8.9237 126.9096 62.7186 32.6475 175.0358 19 L 4.9680 8.7425 127.3165 52.0586 45.0549 175.9172 20 P 4.2661 0.0000 0.0000 65.3600 31.4008 177.3578 21 P 4.3700 0.0000 0.0000 65.4886 31.5063 176.7089 22 D 4.8335 8.3709 116.3374 55.0423 41.1146 175.8798 23 T 4.4818 7.4513 115.4950 61.1084 71.8884 173.5856 24 N 4.4415 7.8861 122.6309 51.9174 38.2721 175.8808 25 H 3.7471 8.5286 113.9493 57.9055 28.4866 175.9340 26 L 4.2956 7.8045 118.9847 54.4468 41.7620 177.3349 27 G 3.8460 9.0182 108.7545 45.7022 0.0000 173.3343 28 T 4.6949 7.6701 117.2172 62.1699 69.9689 174.3473 29 I 4.0025 8.0219 126.6927 60.8786 38.9838 175.6663 30 F 4.2366 8.9586 128.4567 57.3183 39.4935 176.5848 31 G 3.3687 9.0613 110.1417 48.0717 0.0000 176.1073 32 G 3.5878 8.0470 107.2586 47.3224 0.0000 175.8815 33 K 3.6869 7.9757 120.2948 59.2050 32.0916 179.3702 34 V 3.7402 7.5990 118.0397 66.0336 31.4747 178.0231 35 L 4.0119 8.4069 118.8305 57.7833 41.4443 179.3357 36 A 3.9657 8.1842 120.9829 55.4698 18.2740 179.3681 37 Y 4.3635 7.8437 115.2178 61.0971 37.8945 178.6604 38 I 3.6995 8.1755 121.2145 64.4823 37.2772 177.9366 39 D 4.3248 8.2075 118.8208 57.1752 41.0414 177.7808 40 E 3.9315 8.4157 119.9431 59.4588 29.6792 178.7493 41 I 3.7218 8.0288 118.4164 63.8893 37.9684 177.6677 42 A 3.9673 8.2141 121.5770 54.9558 17.9772 179.4105 43 A 3.9408 8.2813 118.5464 55.3680 18.5875 179.3944 44 L 4.1091 7.7103 116.0042 58.3548 42.0580 179.7371 45 T 4.3601 8.3644 116.5624 65.9377 68.3450 177.7091 46 A 4.1211 8.0712 121.4773 52.4718 18.2185 179.3760 *48 K 4.1576 8.0551 122.3547 58.3185 34.3477 177.3740 49 H 4.3465 8.3327 117.5776 58.8759 29.8313 176.0045 50 A 4.3277 8.3677 119.6525 51.9531 19.4987 176.4029 51 N 4.2054 8.2008 112.3433 53.5591 36.1889 173.2798 52 S 4.5812 7.5423 108.4434 56.3735 66.1706 172.8113 53 A 4.3215 8.4302 125.4545 52.6008 19.2976 176.8327 54 V 5.0357 8.1687 111.3918 59.9341 36.0423 175.1412 55 V 4.5799 8.5803 114.9162 59.8178 35.5049 175.9601 56 T 4.1681 8.4876 119.7281 62.9665 68.5910 174.8845 57 A 4.1956 8.9014 131.5293 54.8061 19.0558 177.0673 58 S 4.6648 7.2736 107.1865 57.7867 65.9758 174.4110 59 I 4.7857 8.2093 120.4163 59.2920 40.5826 174.8578 60 D 4.9017 9.1518 129.4899 53.1674 42.1921 176.1918 61 S 4.1649 8.6032 114.0095 58.6746 63.3372 173.8675 62 V 4.0563 8.0878 121.5320 61.1017 33.1960 174.2803 63 D 4.6695 8.3022 127.1817 52.3609 42.1640 175.9553 64 F 4.5191 8.5997 123.8874 56.9318 39.1501 175.7603 65 K 4.2820 9.1553 126.6369 57.9158 32.2465 176.5739 66 S 4.6316 7.5471 111.6802 57.4912 65.5377 172.8066 67 S 4.9143 8.2462 115.3547 56.5265 65.9453 174.5229 68 A 4.4317 8.6823 125.6670 52.2762 19.9744 176.0208 69 T 5.1160 8.9389 116.4617 61.0453 71.7911 174.5121 70 V 3.6750 7.9781 123.7528 63.6242 31.5366 175.5181 71 G 4.0288 9.2944 112.4016 45.4623 0.0000 173.2874 72 D 4.6414 8.3594 119.1776 54.6455 42.5777 175.2157 73 A 5.0775 9.0053 121.7357 50.3809 21.4399 175.7534 74 L 4.8496 8.8754 125.1664 54.0120 44.0313 175.0660 75 E 5.1193 9.4473 125.7989 54.5602 32.5153 174.9181 76 L 5.2580 8.9877 124.3618 52.8601 45.7690 175.2441 77 E 5.0798 9.1121 122.7758 54.5321 33.1701 174.4359 78 G 4.5693 9.3283 113.4851 44.6948 0.0000 171.2471 79 F 5.3776 8.3226 115.2774 55.2458 41.7577 173.4563 80 V 4.4131 8.7241 121.5014 63.5851 31.2469 175.6070 81 T 4.7021 8.9901 118.6979 63.4830 70.1697 174.3770 82 H 4.6316 7.8082 118.0486 55.5130 32.6670 172.4908 83 T 4.9341 7.6768 113.0529 59.8932 72.5000 173.4480 84 G 4.1580 8.4529 113.6634 46.0095 0.0000 175.3209 85 R 4.0957 8.7555 121.5136 58.7364 30.6180 177.8116 86 T 4.7654 8.0901 104.3442 60.2499 70.3570 173.2158 87 S 5.1175 7.5103 117.9367 56.5054 65.8269 171.3542 *89 E 4.5662 8.4047 119.3117 56.6645 30.9980 175.6383 90 V 4.8747 8.9592 126.7233 61.2991 34.6101 173.2557 91 Y 4.6594 8.4784 129.3282 56.0419 40.6636 174.2767 92 V 4.5009 7.5757 125.6202 60.8012 35.2390 173.8960 93 R 4.7197 8.4100 127.3393 54.3129 33.2187 174.1428 94 V 5.0276 8.6119 125.3972 61.5164 34.8106 173.9176 95 H 5.5448 9.3742 123.7715 54.0517 33.4130 172.2592 96 S 5.2418 8.9916 115.2266 56.6595 66.0774 172.5872 97 N 5.1747 9.2312 121.0126 51.7016 41.7964 172.8645 98 N 4.9976 9.4035 126.9964 53.3495 39.0670 175.6904 99 L 4.1203 8.6120 127.1485 56.8834 42.2967 178.6957 100 L 4.2174 8.0720 118.7877 56.6813 41.7875 177.7841 101 T 4.2833 8.1578 106.1551 60.8482 70.1813 175.4830 102 G 3.8864 8.3820 109.8633 45.2336 0.0000 172.8732 103 E 4.2670 8.1463 120.8416 55.7757 30.5608 175.5651 104 R 5.1490 8.6291 125.0375 54.8561 32.3933 174.9556 105 T 4.8103 8.8712 122.0003 61.3231 73.1022 173.0269 106 L 3.9974 8.6293 127.2863 56.0730 42.5242 176.2410 107 T 4.2941 8.9364 123.8901 64.2564 69.6911 174.5507 108 T 4.5674 7.1582 113.0417 61.4664 70.8108 170.7460 109 E 4.9521 8.4281 121.2096 54.8669 32.9203 174.6222 110 S 4.5893 8.1231 114.1642 57.2840 66.7208 172.7411 111 F 5.3452 8.7763 122.4916 55.6895 42.3302 174.1602 112 L 5.2550 9.2251 122.2774 53.3643 45.7637 175.6036 113 T 4.7656 8.5644 117.3033 61.6769 72.6017 173.3174 *115 V 4.2852 8.0566 120.9008 62.7142 33.0505 174.3358 116 A 4.6797 8.5958 129.8455 52.1802 19.4002 176.6214 117 V 5.0511 8.6397 114.8925 59.4448 35.7088 175.7231 118 D 4.7341 8.7014 123.2141 52.2789 40.8434 177.1284 119 E 4.1053 8.5604 117.7170 59.2443 29.4059 178.4320 120 S 4.1644 8.1052 111.6481 59.2056 62.7128 174.6360 121 G 3.9249 8.6397 108.3035 45.5030 0.0000 173.0256 122 K 4.3712 8.3756 121.4244 53.9876 33.2809 174.4608 123 P 4.8202 0.0000 0.0000 63.0813 31.5985 175.5129 124 K 4.7128 8.6203 121.6767 53.8688 35.7339 173.9166 125 P 4.6836 0.0000 0.0000 62.9636 32.0208 175.9243 126 V 4.5960 8.2582 115.4918 58.7308 34.6435 174.1146 127 P 4.3828 0.0000 0.0000 62.6172 32.0996 176.4715 128 Q 4.6693 8.8106 120.8774 55.4002 30.1324 175.3860 129 V 4.8819 8.3882 121.2990 60.3620 34.0740 174.8253 130 E 4.5813 9.0398 124.6529 53.6784 31.3826 173.1902 131 P 4.7013 0.0000 0.0000 63.0917 31.7349 175.9092 132 Q 4.3634 9.5440 121.4472 57.1614 31.2667 177.0734 133 T 4.2989 7.7544 107.3752 60.8222 71.3500 175.3192 134 E 3.9216 8.5673 121.0451 59.4334 29.4515 179.1884 135 E 3.9404 8.1383 118.8440 59.3804 29.6992 178.5650 136 E 4.0814 8.1198 118.4791 59.5049 29.4991 179.5174 137 K 3.9903 8.3214 118.6543 59.5527 32.2021 179.6524 138 R 4.1264 8.2750 118.4027 59.3416 29.7785 179.1484 139 L 4.0605 7.8622 117.7811 57.8214 41.7606 178.6226 140 Y 4.2828 8.4576 119.7863 60.8131 38.5448 177.9040 141 E 4.0979 8.4627 118.8370 59.1923 29.5190 178.5992 142 T 4.2209 7.7789 107.1089 62.1336 69.3774 176.6200 143 A 3.7049 7.3188 125.0561 54.8568 18.3559 177.6800 144 P 4.0158 0.0000 0.0000 65.5399 31.2283 178.5613 145 A 3.8982 7.8031 118.9597 55.3229 18.2257 179.6279 146 R 3.7223 7.4321 115.9976 59.3450 29.9990 179.2552 147 K 3.9963 8.1397 121.7068 59.7065 32.0309 179.4933 148 E 3.9453 8.0832 119.0213 61.0876 29.6200 182.4477 149 N 4.4951 7.8697 117.7975 56.1686 38.3489 177.7769 150 R 3.8911 7.4892 118.4956 59.1753 30.2549 178.6866 151 K 4.0020 7.9403 117.1943 59.4022 32.1235 178.8194 152 K 4.0401 7.9675 118.9692 59.4947 32.2865 177.1700 153 R 4.2182 7.9118 119.2292 56.5766 29.6409 175.9482 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 0 H 8.44 4.60 0.00 3.08 3.32 0.00 5.92 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 8.19 4.14 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.90 0.00 0.00 3 Q 7.73 4.07 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 4 S 8.29 4.58 0.00 3.79 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 5 Y 8.54 5.26 0.00 2.88 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 6 P 0.00 4.81 0.00 2.17 2.25 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 7 V 8.58 3.66 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 1.06 0.00 0.00 1.08 0.00 0.00 8 E 8.21 3.93 0.00 2.08 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 2.35 2.41 0.00 9 R 7.71 3.76 0.00 1.80 2.05 0.00 2.36 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 10 S 7.93 4.67 0.00 4.36 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 0.00 11 R 7.46 4.48 0.00 1.90 1.91 0.00 3.30 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 12 T 9.24 4.83 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 1.23 0.00 0.00 13 I 8.44 5.10 1.87 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 1.36 0.89 0.91 0.00 0.00 14 Q 9.12 4.72 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 15 T 8.31 5.19 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 1.22 0.00 0.00 16 R 8.79 4.61 0.00 1.63 1.78 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.27 0.00 17 L 8.43 4.50 0.00 1.64 1.59 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.92 3.97 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 0.91 0.00 0.00 1.01 0.00 0.00 19 L 8.74 4.97 0.00 1.67 1.56 0.94 0.92 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 20 P 0.00 4.27 0.00 2.19 2.11 0.00 3.62 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 2.12 2.12 0.00 21 P 0.00 4.37 0.00 2.10 2.17 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 22 D 8.37 4.83 0.00 2.94 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 23 T 7.45 4.48 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 1.06 0.00 0.00 24 N 7.89 4.44 0.00 2.75 2.43 0.00 0.00 6.77 7.87 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 25 H 8.53 3.75 0.00 3.24 3.52 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.80 4.30 0.00 1.66 1.67 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.02 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 0.00 0.00 0.00 28 T 7.67 4.69 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 1.06 0.00 0.00 29 I 8.02 4.00 1.82 0.00 0.00 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 1.22 0.93 0.85 0.00 0.00 30 F 8.96 4.24 0.00 2.94 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 31 G 9.06 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 0.00 0.00 0.00 32 G 8.05 3.59 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 0.00 0.00 0.00 33 K 7.98 3.69 0.00 1.95 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.71 7.81 34 V 7.60 3.74 2.42 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 1.37 0.00 0.00 1.00 0.00 0.00 35 L 8.41 4.01 0.00 1.90 1.74 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.18 3.97 1.15 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 37 Y 7.84 4.36 0.00 3.16 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 38 I 8.18 3.70 2.04 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 1.37 0.98 0.85 0.00 0.00 39 D 8.21 4.32 0.00 2.80 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 40 E 8.42 3.93 0.00 2.23 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 0.00 2.36 2.37 0.00 41 I 8.03 3.72 2.08 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 1.46 1.19 0.97 0.00 0.00 42 A 8.21 3.97 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 43 A 8.28 3.94 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 44 L 7.71 4.11 0.00 1.84 1.78 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.36 4.36 4.42 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 1.34 0.00 0.00 46 A 8.07 4.12 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 *48 K 8.06 4.16 0.00 1.97 1.94 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.63 7.81 49 H 8.33 4.35 0.00 3.23 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.37 4.33 1.41 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 0.00 0.00 51 N 8.20 4.21 0.00 2.87 2.89 0.00 0.00 6.65 7.57 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 52 S 7.54 4.58 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 53 A 8.43 4.32 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 54 V 8.17 5.04 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 0.83 0.00 0.00 0.96 0.00 0.00 55 V 8.58 4.58 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 0.70 0.00 0.00 0.99 0.00 0.00 56 T 8.49 4.17 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 1.27 0.00 0.00 57 A 8.90 4.20 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 58 S 7.27 4.66 0.00 3.86 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 59 I 8.21 4.79 1.87 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 1.33 1.11 0.91 0.00 0.00 60 D 9.15 4.90 0.00 2.74 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 61 S 8.60 4.16 0.00 3.96 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 62 V 8.09 4.06 1.80 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 0.15 0.00 0.00 0.88 0.00 0.00 63 D 8.30 4.67 0.00 2.61 2.54 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 64 F 8.60 4.52 0.00 3.11 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 65 K 9.16 4.28 0.00 1.94 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.50 7.81 66 S 7.55 4.63 0.00 3.97 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 67 S 8.25 4.91 0.00 3.67 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 68 A 8.68 4.43 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 69 T 8.94 5.12 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 1.20 0.00 0.00 70 V 7.98 3.67 2.04 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 0.63 0.00 0.00 0.97 0.00 0.00 71 G 9.29 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 72 D 8.36 4.64 0.00 2.64 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 73 A 9.01 5.08 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 74 L 8.88 4.85 0.00 1.74 1.47 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.45 5.12 0.00 1.89 1.80 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 2.19 2.24 0.00 76 L 8.99 5.26 0.00 1.55 1.48 0.85 0.84 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 77 E 9.11 5.08 0.00 2.05 1.77 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 2.43 2.50 0.00 78 G 9.33 4.57 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 0.00 0.00 0.00 79 F 8.32 5.38 0.00 3.17 3.12 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 80 V 8.72 4.41 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 0.85 0.00 0.00 0.98 0.00 0.00 81 T 8.99 4.70 4.42 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 1.46 0.00 0.00 82 H 7.81 4.63 0.00 2.91 3.05 0.00 5.67 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 83 T 7.68 4.93 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 1.26 0.00 0.00 84 G 8.45 4.16 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 0.00 85 R 8.76 4.10 0.00 1.86 1.92 0.00 3.13 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 86 T 8.09 4.77 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 1.24 0.00 0.00 87 S 7.51 5.12 0.00 4.01 4.05 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 *89 E 8.40 4.57 0.00 2.12 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 2.52 2.41 0.00 90 V 8.96 4.87 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 0.97 0.00 0.00 0.97 0.00 0.00 91 Y 8.48 4.66 0.00 2.83 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 0.00 0.00 0.00 0.00 92 V 7.58 4.50 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 0.77 0.00 0.00 0.77 0.00 0.00 93 R 8.41 4.72 0.00 1.46 1.60 0.00 3.22 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 94 V 8.61 5.03 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 0.98 0.00 0.00 0.89 0.00 0.00 95 H 9.37 5.54 0.00 3.11 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.99 5.24 0.00 3.87 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 97 N 9.23 5.17 0.00 2.69 2.67 0.00 0.00 6.78 6.75 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 98 N 9.40 5.00 0.00 2.76 2.77 0.00 0.00 6.81 6.67 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 99 L 8.61 4.12 0.00 1.67 1.70 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.07 4.22 0.00 1.81 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.16 4.28 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 1.28 0.00 0.00 102 G 8.38 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 0.00 103 E 8.15 4.27 0.00 1.96 1.90 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 2.33 2.25 0.00 104 R 8.63 5.15 0.00 1.78 1.79 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 105 T 8.87 4.81 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 1.23 0.00 0.00 106 L 8.63 4.00 0.00 1.61 1.57 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.94 4.29 4.30 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 1.36 0.00 0.00 108 T 7.16 4.57 4.08 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 1.06 0.00 0.00 109 E 8.43 4.95 0.00 1.82 1.72 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 2.13 2.31 0.00 110 S 8.12 4.59 0.00 3.74 3.47 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 0.00 111 F 8.78 5.35 0.00 3.17 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 0.00 112 L 9.23 5.25 0.00 1.58 1.53 0.87 0.43 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 0.00 113 T 8.56 4.77 4.26 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 1.23 0.00 0.00 *115 V 8.06 4.29 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 1.11 0.00 0.00 0.94 0.00 0.00 116 A 8.60 4.68 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 0.00 117 V 8.64 5.05 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 0.81 0.00 0.00 1.00 0.00 0.00 118 D 8.70 4.73 0.00 2.91 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 0.00 119 E 8.56 4.11 0.00 2.25 2.07 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 2.31 1.87 0.00 120 S 8.11 4.16 0.00 3.83 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 0.00 121 G 8.64 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 0.00 122 K 8.38 4.37 0.00 1.89 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.27 7.81 123 P 0.00 4.82 0.00 2.08 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 124 K 8.62 4.71 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 125 P 0.00 4.68 0.00 1.99 1.98 0.00 3.68 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 2.04 2.13 0.00 126 V 8.26 4.60 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 0.75 0.00 0.00 1.03 0.00 0.00 127 P 0.00 4.38 0.00 1.65 1.43 0.00 3.66 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 2.02 1.90 0.00 128 Q 8.81 4.67 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.15 0.00 129 V 8.39 4.88 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 0.89 0.00 0.00 1.10 0.00 0.00 130 E 9.04 4.58 0.00 2.08 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 0.00 2.17 2.21 0.00 131 P 0.00 4.70 0.00 2.11 2.06 0.00 3.39 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.15 0.00 132 Q 9.54 4.36 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 133 T 7.75 4.30 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 1.19 0.00 0.00 134 E 8.57 3.92 0.00 2.00 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 2.39 2.31 0.00 135 E 8.14 3.94 0.00 2.05 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 2.50 2.48 0.00 136 E 8.12 4.08 0.00 2.21 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 2.10 2.10 0.00 137 K 8.32 3.99 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.61 7.81 138 R 8.28 4.13 0.00 2.02 2.00 0.00 3.14 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 1.67 1.92 0.00 139 L 7.86 4.06 0.00 1.93 1.86 0.99 0.80 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 0.00 140 Y 8.46 4.28 0.00 3.17 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 0.00 141 E 8.46 4.10 0.00 2.23 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 2.42 2.53 0.00 142 T 7.78 4.22 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 1.18 0.00 0.00 143 A 7.32 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.02 0.00 2.07 2.02 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 145 A 7.80 3.90 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 0.00 146 R 7.43 3.72 0.00 1.73 1.70 0.00 2.21 0.00 0.00 2.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 147 K 8.14 4.00 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.32 7.81 148 E 8.08 3.95 0.00 2.04 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 2.24 2.22 0.00 149 N 7.87 4.50 0.00 2.83 2.86 0.00 0.00 7.06 7.69 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 0.00 150 R 7.49 3.89 0.00 1.84 1.97 0.00 3.15 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 1.64 1.80 0.00 151 K 7.94 4.00 0.00 2.19 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.34 7.81 152 K 7.97 4.04 0.00 1.71 2.09 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 153 R 7.91 4.22 0.00 2.00 1.89 0.00 3.14 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.