NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3575 8.1627 120.3410 55.1843 32.8931 174.3592 2 K 4.7075 8.2458 129.7629 55.2628 31.1358 168.2876 3 V 4.3630 8.7611 124.2964 61.2199 33.3491 174.6000 4 I 4.4604 9.0388 131.3203 62.7782 37.3792 176.6256 5 F 3.4971 8.7002 113.8370 57.9458 38.8003 174.2816 6 L 5.0288 7.9983 128.4137 54.6056 44.2605 172.5531 7 K 4.9767 7.0236 125.1068 58.8115 38.4878 176.5513 8 D 5.5723 7.7981 124.5113 53.5915 40.4677 177.9655 9 V 3.6089 8.1888 127.1840 62.2917 29.3709 169.8718 10 K 4.3192 7.6478 124.2845 56.6439 30.5452 175.0734 11 G 4.2663 7.7082 114.3142 45.5645 0.0000 174.9648 12 K 5.2705 8.3051 126.7484 55.2970 34.9067 173.3560 13 G 4.2739 7.6164 109.3911 45.8092 0.0000 173.6099 14 K 4.5894 7.9435 128.9020 57.3511 31.9264 179.1935 15 K 4.4473 7.7181 119.4978 55.2052 32.5664 176.5735 16 G 3.8892 8.7090 111.4326 46.3207 0.0000 172.2920 17 E 3.9942 5.9000 120.8285 54.3713 27.7430 174.0636 18 I 5.2063 6.9654 121.1653 59.7706 39.3366 174.6439 19 K 4.4501 8.5770 129.9620 54.1351 34.7800 176.0995 20 N 5.3960 8.7050 126.4315 52.5655 36.8367 174.4154 21 V 3.4971 7.5935 119.4878 64.2323 32.3434 176.5193 22 A 3.3548 8.1237 121.1628 54.7042 18.1812 177.0070 23 D 4.0675 8.5423 119.3767 54.4357 42.6107 175.7092 24 G 4.2345 8.6375 111.1453 49.8490 0.0000 175.9118 25 Y 4.5545 10.1642 108.1365 60.5163 38.0162 178.0540 26 A 3.1108 6.0469 134.5037 56.2818 18.5400 178.5309 27 N 4.0791 7.9429 115.5226 57.0550 38.9445 176.5082 28 N 4.3518 9.3998 118.7579 56.7663 39.3461 177.5585 29 F 4.4609 7.1317 114.4698 59.1351 38.1460 176.8797 30 L 4.1764 6.6038 117.6524 56.2777 42.1629 177.8707 31 F 5.1602 7.3242 115.0615 58.2765 40.4759 177.7843 32 K 3.9090 7.4886 116.6423 59.8117 32.1490 177.9628 33 Q 4.0051 8.2008 115.8411 57.7618 28.6636 176.9418 34 G 4.0231 9.5670 106.6706 46.2938 0.0000 173.7028 35 L 4.3697 7.9329 128.0912 53.8553 43.9114 172.2953 36 A 3.3902 8.0800 118.2661 51.3393 19.2448 175.7021 37 I 3.5508 6.8453 113.3503 61.1017 41.3047 173.4913 38 E 5.0569 9.5071 121.0716 55.9502 30.9763 178.9967 39 A 3.1764 9.0584 121.0550 53.5274 20.7826 178.1678 40 T 3.5114 8.1414 108.9128 64.1183 65.5335 172.1683 41 P 4.1112 0.0000 0.0000 66.0095 31.8231 178.7774 42 A 3.8368 7.7597 119.1461 55.5745 18.3335 178.3719 43 N 4.4596 9.0818 114.3609 55.9417 38.9862 178.5329 44 L 3.7982 7.4390 119.3303 56.8335 42.2687 179.1453 45 K 4.2773 8.2103 118.3401 57.8519 32.5764 178.3493 46 A 3.9768 10.6000 121.1767 54.9983 18.2564 179.6212 47 L 3.9310 7.8165 117.6571 59.1728 40.5723 178.9209 48 E 3.9828 8.1884 119.2834 58.2860 29.6522 178.3504 49 A 4.0042 8.4247 121.7384 54.5334 18.4772 178.5054 50 Q 4.4131 7.8275 116.0880 56.9082 29.3488 177.5112 51 K 4.1380 8.0187 118.5770 59.4875 32.5207 178.6544 52 Q 4.5356 7.9715 120.0042 57.6629 28.7483 178.4216 53 K 3.9406 8.5523 119.9289 59.7099 32.2651 179.0364 54 E 3.9911 8.1516 118.6610 59.7942 28.8485 179.5732 55 Q 4.1775 7.9733 117.3441 58.4506 28.7965 178.5371 56 R 3.8565 8.0188 119.3536 58.7790 30.1208 178.4325 57 Q 4.4243 7.6264 114.5962 57.4837 28.9993 177.3498 58 A 4.4360 7.7499 121.2119 54.1899 19.8111 178.7958 59 A 3.9772 7.3460 117.6145 55.8854 18.5299 178.4561 60 E 3.7703 8.4099 117.4329 58.6316 28.9924 178.1808 61 E 3.8773 8.2394 119.8658 59.1348 28.9980 179.4478 62 L 3.9701 8.0158 119.2109 57.2820 40.8938 178.4294 63 A 4.0176 10.4049 119.0981 53.4804 18.3896 178.4798 64 N 4.6121 7.9220 113.1115 53.9289 39.2192 176.0069 65 A 4.6344 7.1983 119.6841 51.5519 19.4564 177.0629 66 K 4.4747 7.4960 118.8653 56.9374 34.2701 178.7177 67 K 3.9863 7.5782 119.5212 59.2041 32.1694 178.9569 68 L 4.1424 7.8623 119.9139 57.6811 41.5597 178.3336 69 K 3.6281 8.4269 116.4979 61.0782 31.5968 177.9728 70 E 4.0742 7.9098 119.5484 59.8485 30.2284 179.1157 71 Q 4.0970 7.7911 118.9057 58.2658 28.1558 178.8890 72 L 4.3031 8.0545 119.8036 56.8651 41.8945 177.9328 73 E 4.4465 7.9873 115.5182 56.4914 29.4038 176.9377 74 K 4.2955 7.4571 118.3290 57.7772 33.7345 176.6972 75 L 4.3623 7.5608 118.4489 54.0587 43.3239 174.9850 76 T 4.3683 7.9962 110.3325 61.4137 71.1781 175.2684 77 V 4.3772 8.0607 118.5124 62.0367 32.6329 172.1682 78 T 4.9757 7.7629 113.6562 59.0764 70.2443 176.0544 79 I 4.5845 7.8457 125.9872 59.8422 39.6533 170.4760 80 P 5.3105 0.0000 0.0000 61.5149 30.9181 176.9413 81 A 4.5062 8.1365 135.0000 52.3853 21.7946 175.5494 82 K 4.6785 8.7486 113.7407 55.0698 34.9071 174.4789 83 A 3.5061 7.3070 118.6081 53.0209 22.2981 173.8743 84 G 3.9638 6.7066 99.6673 46.2048 0.0000 174.9763 85 E 4.6241 7.6417 117.7254 55.2932 31.2364 176.2595 86 G 4.0000 7.3108 107.8323 46.6101 0.0000 174.3346 *88 R 4.9152 7.3999 115.4750 54.6285 31.6126 175.1491 89 L 4.1137 7.9794 118.6463 54.6806 42.0371 177.3369 90 F 4.6369 8.5282 117.1452 58.5658 39.8846 176.9731 91 G 4.0370 7.4080 108.6559 45.9700 0.0000 173.6788 92 S 3.8357 7.2205 115.0716 56.9103 68.0019 175.1026 93 I 4.9186 7.9449 115.8927 61.3429 38.5330 173.8092 94 T 4.4732 8.3525 120.5209 60.0177 68.7190 175.3108 95 S 4.2104 8.5217 121.3651 60.1933 62.4913 175.9076 96 K 4.0287 7.6207 120.5605 60.0791 32.3485 177.9967 97 Q 5.3333 7.9633 116.6805 57.3810 30.3221 179.4097 98 I 3.8667 8.7644 116.5592 63.1815 36.9715 178.7518 99 A 2.9813 6.5111 125.5669 53.5938 19.3231 183.8980 100 E 3.2806 7.7656 115.1641 56.2081 33.7935 181.7804 101 S 4.5078 8.1742 111.2530 59.0686 63.1014 178.9036 102 L 3.5357 8.2850 130.4075 59.4181 43.9579 178.1993 103 Q 4.3922 8.4638 111.9890 55.5817 27.1667 180.4303 104 A 3.1861 5.8000 122.2327 53.5945 22.1113 182.2861 105 Q 4.2233 7.6882 111.5138 57.0700 28.5883 179.7778 106 H 3.9100 8.8877 123.5049 59.1794 29.6007 172.9135 107 G 3.7554 8.8909 111.2673 44.4169 0.0000 173.9352 108 L 4.2029 8.4457 120.5498 54.0576 43.4892 176.5161 109 K 4.0777 8.4891 125.4206 57.1841 33.0303 175.8482 110 L 4.5209 8.0498 122.2476 53.3462 45.1013 175.3346 111 D 4.6732 8.4052 123.0782 54.9012 41.0172 176.4008 112 K 4.5911 8.2532 113.6947 57.5962 35.2438 176.4778 113 R 4.3796 7.8678 118.3269 57.8629 31.8322 177.9372 114 K 4.4123 7.8426 119.3818 55.3130 31.1677 181.6398 115 I 2.9947 8.1825 125.8197 62.7771 34.1050 174.2641 116 E 4.2223 8.4967 129.9946 55.3029 27.8205 174.5935 117 L 4.5915 7.9319 121.8101 52.3609 43.6438 176.5265 118 A 4.2057 8.7852 127.5977 54.7086 18.9113 176.1758 119 D 4.3349 7.4233 112.8597 52.9714 41.0269 175.3965 120 A 4.5257 8.4697 121.0148 50.9422 18.2665 178.2090 121 I 4.1908 7.4153 121.6551 61.2832 37.1150 177.2814 122 R 5.0231 8.9256 132.0648 58.6564 28.2054 176.0546 123 A 3.8554 7.8041 118.5382 52.2134 18.3413 176.9077 124 L 3.2670 9.0604 119.3807 55.8289 43.5353 175.7048 125 G 3.6158 8.0862 106.1459 46.3453 0.0000 173.2082 126 Y 4.5487 8.7095 122.4580 58.6069 38.3717 176.6216 127 T 4.6223 8.8062 122.2219 62.2853 71.2506 173.5591 128 N 4.6268 8.6950 123.6728 53.1159 38.5159 175.2130 129 V 4.2542 8.2259 119.5878 60.5175 34.2003 173.4162 130 P 4.6998 0.0000 0.0000 62.9052 30.5595 173.9095 131 V 4.1735 8.6313 127.6080 62.1852 32.7722 175.2306 132 K 4.3879 8.7579 128.3333 56.4617 30.3950 176.5634 133 L 4.2115 7.6995 124.6887 54.5572 42.7334 176.0869 134 H 4.9649 8.9118 118.2319 54.1749 32.1540 175.2538 135 P 4.0769 0.0000 0.0000 64.8964 31.6537 176.5381 136 E 4.5315 8.0388 115.6359 56.3844 31.7275 176.5890 137 V 4.6223 7.8770 112.0168 59.6023 35.3611 173.6683 138 T 4.8215 7.7792 114.0694 61.0085 68.8360 176.9337 139 A 4.2611 9.1531 118.1017 51.5658 21.5364 174.7480 140 T 4.9499 7.9954 120.3624 63.3497 67.4869 173.8480 141 L 4.7503 7.8224 128.5750 53.9349 44.6611 174.9949 142 K 4.7410 8.3956 120.2521 55.8513 34.6204 176.7713 143 V 4.3548 8.2040 121.1868 61.8256 34.7841 173.6877 144 H 4.7203 9.2139 126.7392 53.7380 29.2348 173.5179 145 V 4.4612 8.4296 134.5136 63.0650 33.6558 173.6518 146 T 4.1156 8.2299 111.1579 60.6629 68.7995 172.3755 147 E 5.1482 9.1714 128.1300 62.2855 29.5260 178.4090 148 Q 3.1024 7.8719 115.6312 56.8223 30.1922 176.3492 149 K 4.0964 12.0000 124.5794 56.7282 33.7245 174.9969 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 M 8.16 4.36 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 K 8.25 4.71 0.00 1.99 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.57 7.81 3 V 8.76 4.36 2.36 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 1.00 0.00 0.00 1.01 0.00 0.00 4 I 9.04 4.46 2.20 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 1.27 0.72 0.21 0.00 0.00 5 F 8.70 3.50 0.00 3.31 3.46 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 6 L 8.00 5.03 0.00 1.44 1.98 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.02 4.98 0.00 1.82 1.53 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.32 7.81 8 D 7.80 5.57 0.00 2.72 1.83 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 9 V 8.19 3.61 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 0.77 0.00 0.00 0.99 0.00 0.00 10 K 7.65 4.32 0.00 2.01 2.12 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.19 7.81 11 G 7.71 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 0.00 0.00 0.00 0.00 12 K 8.31 5.27 0.00 1.73 1.76 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.34 7.81 13 G 7.62 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 0.00 0.00 0.00 0.00 14 K 7.94 4.59 0.00 1.85 1.94 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.63 7.81 15 K 7.72 4.45 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 16 G 8.71 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 17 E 5.90 3.99 0.00 1.88 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 2.09 2.17 0.00 18 I 6.97 5.21 2.10 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 1.26 1.37 0.85 0.00 0.00 19 K 8.58 4.45 0.00 1.76 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.39 7.81 20 N 8.70 5.40 0.00 2.71 2.76 0.00 0.00 7.20 7.68 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 21 V 7.59 3.50 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 0.64 0.00 0.00 0.88 0.00 0.00 22 A 8.12 3.35 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 23 D 8.54 4.07 0.00 2.51 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 24 G 8.64 4.23 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 0.00 25 Y 10.16 4.55 0.00 3.46 3.30 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 26 A 6.05 3.11 1.14 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 27 N 7.94 4.08 0.00 2.87 2.80 0.00 0.00 6.71 6.25 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 28 N 9.40 4.35 0.00 2.76 3.16 0.00 0.00 7.15 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 29 F 7.13 4.46 0.00 3.22 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 30 L 6.60 4.18 0.00 0.94 0.97 0.60 0.73 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 31 F 7.32 5.16 0.00 3.01 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 32 K 7.49 3.91 0.00 2.14 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.75 7.81 33 Q 8.20 4.01 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 34 G 9.57 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 35 L 7.93 4.37 0.00 1.94 1.74 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.08 3.39 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 I 6.85 3.55 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.02 0.82 0.00 0.00 38 E 9.51 5.06 0.00 1.84 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 2.34 2.27 0.00 39 A 9.06 3.18 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 40 T 8.14 3.51 4.35 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 1.17 0.00 0.00 41 P 0.00 4.11 0.00 2.17 2.08 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 42 A 7.76 3.84 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 43 N 9.08 4.46 0.00 2.67 2.70 0.00 0.00 7.14 5.13 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 44 L 7.44 3.80 0.00 1.74 1.73 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.21 4.28 0.00 2.24 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.53 7.81 46 A 10.60 3.98 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 47 L 7.82 3.93 0.00 2.04 1.97 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.19 3.98 0.00 2.12 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 2.44 0.00 49 A 8.42 4.00 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 50 Q 7.83 4.41 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 51 K 8.02 4.14 0.00 1.82 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 52 Q 7.97 4.54 0.00 2.24 2.14 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 2.25 2.64 0.00 53 K 8.55 3.94 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.63 7.81 54 E 8.15 3.99 0.00 2.19 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 2.57 2.53 0.00 55 Q 7.97 4.18 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.75 0.00 56 R 8.02 3.86 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 57 Q 7.63 4.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 58 A 7.75 4.44 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 59 A 7.35 3.98 1.32 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 0.00 0.00 0.00 60 E 8.41 3.77 0.00 2.16 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 2.30 2.35 0.00 61 E 8.24 3.88 0.00 2.29 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 0.00 2.44 2.51 0.00 62 L 8.02 3.97 0.00 2.06 1.70 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 A 10.40 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 64 N 7.92 4.61 0.00 2.66 2.85 0.00 0.00 6.79 7.35 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 65 A 7.20 4.63 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 66 K 7.50 4.47 0.00 1.96 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.53 7.81 67 K 7.58 3.99 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.52 7.81 68 L 7.86 4.14 0.00 1.68 1.73 0.92 1.16 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 69 K 8.43 3.63 0.00 2.06 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.68 7.81 70 E 7.91 4.07 0.00 2.19 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 2.39 0.00 71 Q 7.79 4.10 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 72 L 8.05 4.30 0.00 1.64 1.69 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.99 4.45 0.00 1.96 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 2.34 2.49 0.00 74 K 7.46 4.30 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.34 7.81 75 L 7.56 4.36 0.00 1.62 1.60 0.98 0.97 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 76 T 8.00 4.37 4.46 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 1.29 0.00 0.00 77 V 8.06 4.38 2.36 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 0.87 0.00 0.00 0.91 0.00 0.00 78 T 7.76 4.98 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 1.13 0.00 0.00 79 I 7.85 4.58 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.89 0.00 0.00 80 P 0.00 5.31 0.00 2.05 2.09 0.00 3.09 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 81 A 8.14 4.51 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 82 K 8.75 4.68 0.00 1.96 1.97 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.82 1.46 7.81 83 A 7.31 3.51 1.06 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 0.00 0.00 84 G 6.71 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 85 E 7.64 4.62 0.00 1.90 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 2.22 2.28 0.00 86 G 7.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 4.92 0.00 1.82 1.83 0.00 3.39 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 89 L 7.98 4.11 0.00 1.58 1.61 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.53 4.64 0.00 3.04 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 91 G 7.41 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 0.00 0.00 0.00 92 S 7.22 3.84 0.00 4.27 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 93 I 7.94 4.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.92 0.00 0.00 94 T 8.35 4.47 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 1.23 0.00 0.00 95 S 8.52 4.21 0.00 3.88 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 96 K 7.62 4.03 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 97 Q 7.96 5.33 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 98 I 8.76 3.87 3.04 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 1.21 1.18 0.89 0.00 0.00 99 A 6.51 2.98 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 0.00 100 E 7.77 3.28 0.00 2.10 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 2.37 2.54 0.00 101 S 8.17 4.51 0.00 4.17 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 0.00 102 L 8.29 3.54 0.00 1.88 2.00 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.46 4.39 0.00 2.36 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 104 A 5.80 3.19 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 0.00 105 Q 7.69 4.22 0.00 1.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 106 H 8.89 3.91 0.00 3.18 3.35 0.00 5.88 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 0.00 107 G 8.89 3.76 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 0.00 0.00 0.00 108 L 8.45 4.20 0.00 1.62 1.60 0.92 0.57 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 0.00 109 K 8.49 4.08 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 L 8.05 4.52 0.00 1.57 1.51 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.41 4.67 0.00 2.68 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 0.00 112 K 8.25 4.59 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 113 R 7.87 4.38 0.00 1.82 2.02 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 114 K 7.84 4.41 0.00 1.74 1.15 0.00 2.09 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.41 7.81 115 I 8.18 2.99 1.87 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 1.41 0.39 0.90 0.00 0.00 116 E 8.50 4.22 0.00 2.01 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 2.34 2.36 0.00 117 L 7.93 4.59 0.00 1.60 1.58 0.91 0.91 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 0.00 118 A 8.79 4.21 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 0.00 119 D 7.42 4.33 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.53 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 0.00 121 I 7.42 4.19 1.86 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 1.29 0.44 0.93 0.00 0.00 122 R 8.93 5.02 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 123 A 7.80 3.86 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 0.00 124 L 9.06 3.27 0.00 1.61 1.71 0.83 1.00 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 0.00 125 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.71 4.55 0.00 2.87 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 0.00 127 T 8.81 4.62 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 1.22 0.00 0.00 128 N 8.69 4.63 0.00 2.91 2.88 0.00 0.00 5.97 7.68 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 0.00 129 V 8.23 4.25 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 0.81 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.70 0.00 2.58 2.22 0.00 3.90 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 2.10 1.81 0.00 131 V 8.63 4.17 2.27 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 0.99 0.00 0.00 1.00 0.00 0.00 132 K 8.76 4.39 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.47 7.81 133 L 7.70 4.21 0.00 1.59 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.91 4.96 0.00 3.14 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.08 0.00 1.94 1.98 0.00 3.05 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 1.64 2.03 0.00 136 E 8.04 4.53 0.00 1.91 1.96 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 2.20 2.32 0.00 137 V 7.88 4.62 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 0.89 0.00 0.00 1.03 0.00 0.00 138 T 7.78 4.82 4.53 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 1.26 0.00 0.00 139 A 9.15 4.26 1.22 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 0.00 140 T 8.00 4.95 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 1.22 0.00 0.00 141 L 7.82 4.75 0.00 1.69 1.54 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.40 4.74 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 143 V 8.20 4.35 2.24 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 1.02 0.00 0.00 0.89 0.00 0.00 144 H 9.21 4.72 0.00 2.18 1.91 0.00 5.31 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.43 4.46 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 0.95 0.00 0.00 0.87 0.00 0.00 146 T 8.23 4.12 4.23 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 1.22 0.00 0.00 147 E 9.17 5.15 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 2.47 2.20 0.00 148 Q 7.87 3.10 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.91 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 149 K 12.00 4.10 0.00 1.94 1.86 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.