NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.4477 8.4249 118.1087 52.8799 39.5459 175.6718 3 Y 4.5952 8.7662 117.7480 54.0728 40.7712 173.2387 4 P 4.4042 0.0000 0.0000 62.7895 33.0682 175.4532 5 V 4.1244 8.0580 120.3109 61.0325 32.5391 175.1981 6 N 4.3628 8.7016 126.1240 53.2360 39.1220 173.4966 7 P 4.4041 0.0000 0.0000 64.5472 32.0552 176.4083 8 D 4.5388 8.9666 119.0104 55.4980 41.7282 178.3323 9 L 4.1152 7.4928 116.5988 55.4920 40.9345 177.0150 *11 P 4.2869 0.0000 0.0000 62.5680 33.5520 178.1532 12 A 4.0410 7.9217 120.6337 55.2947 18.4825 180.6928 13 L 3.4699 7.8176 114.9385 55.5058 41.6520 178.5328 *15 A 4.2592 8.0916 122.0170 51.7003 20.6571 180.0632 16 V 3.5913 7.6847 115.0169 66.1730 31.5501 178.1139 17 F 4.5813 8.0490 117.5850 60.9555 38.7089 177.5417 18 Q 4.0210 8.1881 118.5244 59.4757 28.8864 177.5197 19 H 4.2175 8.4551 119.3847 59.0591 29.8952 177.4544 20 V 3.4582 8.0581 120.2554 65.9509 31.3422 177.9937 21 R 3.8981 7.9596 118.3595 59.7253 29.8579 178.6008 22 T 3.8348 8.2006 115.8092 66.6021 68.4663 176.6248 23 R 3.8162 8.1177 120.7955 59.4676 30.0992 178.6730 24 I 3.6541 7.7520 119.5252 64.3843 37.2655 178.1882 25 Q 3.9333 8.2852 120.6529 59.1013 28.8565 178.0663 26 S 4.0762 8.2404 114.3009 61.7009 62.4383 176.1373 27 E 3.9667 8.1222 121.0369 59.2382 28.7119 179.3551 28 L 3.9447 8.0268 119.0321 57.8986 41.7213 179.2975 29 D 4.3418 8.1760 118.7238 57.5630 40.5664 178.2049 30 C 4.0372 7.9226 117.8360 62.6380 31.5895 174.9436 31 Q 4.3142 7.9621 116.0690 54.7088 29.7340 175.9018 32 R 3.8767 8.1288 119.6314 56.6551 27.2572 175.1841 33 L 4.5210 8.0345 117.4916 53.0299 44.8166 176.2386 34 D 4.3964 8.2153 116.2829 54.8509 39.2179 172.9039 35 L 4.9643 7.4913 116.2224 53.3928 46.3267 176.4177 36 T 5.2001 9.1286 111.7013 58.3019 71.3326 173.6569 37 P 4.2064 0.0000 0.0000 66.0116 30.8656 176.8390 38 P 4.5422 0.0000 0.0000 65.0844 31.2470 178.3911 39 D 4.3164 8.2521 118.3706 57.3428 40.7882 178.7734 40 V 3.6224 7.7676 118.2600 66.3079 31.5645 177.2886 41 H 4.2195 8.8056 118.3139 59.2872 29.7268 177.3742 42 V 3.5337 7.8658 120.0338 66.0674 31.3613 178.0782 43 L 3.9923 8.0158 118.7034 57.3479 41.3584 179.5251 44 K 3.7836 8.0281 119.7856 59.4993 32.0108 178.9164 45 L 4.0349 7.7349 117.9012 57.8921 41.5472 179.3713 46 I 3.7880 7.6674 119.7139 64.2418 36.8098 177.9733 47 D 4.2991 7.8725 118.0349 56.9971 41.1763 177.2473 48 E 4.4734 8.3110 116.2447 56.1284 31.3450 177.0511 49 Q 4.4594 7.6133 118.2031 53.2427 29.8544 173.7856 50 R 3.7062 7.8482 117.6825 58.1439 30.7681 176.2890 51 G 3.4889 7.2200 112.0753 45.2884 0.0000 173.2993 52 L 3.8862 7.4720 121.9890 55.2713 42.6286 175.9312 53 N 5.1645 8.1752 123.0012 50.0634 41.2322 175.5200 54 L 3.9173 8.5223 121.1193 58.2348 41.6481 179.6845 55 Q 3.9272 8.0892 118.6090 59.3283 29.1160 177.7154 56 D 4.3433 9.2154 120.4240 57.3102 40.6911 178.5732 57 L 3.9791 7.9002 119.5480 58.1951 42.3735 178.9174 58 G 3.7683 8.1928 105.5269 48.0271 0.0000 175.8717 59 R 4.0322 7.8036 119.5002 58.6854 30.1582 179.4544 60 Q 4.2097 8.2325 117.0658 55.7503 30.3422 176.7766 *62 C 4.4159 7.8645 114.2822 59.5767 29.0479 173.7780 63 R 4.6867 8.2092 117.7923 53.1813 34.6221 176.3273 64 D 4.5357 8.5960 121.0892 54.2852 42.7620 178.1155 65 K 3.9744 8.6133 122.0254 60.0868 32.5971 179.2023 66 A 3.9469 7.9300 121.4827 54.7350 18.3726 179.1335 67 L 3.8310 7.8043 118.1191 58.3678 42.2403 178.9450 68 I 3.6463 8.1320 119.9605 64.8462 37.0189 178.5088 69 T 3.7898 8.4419 116.9100 66.6764 68.1858 176.6317 70 R 3.8213 7.9892 120.5743 59.0811 30.0635 178.3917 71 K 3.8602 7.9436 119.4527 59.6360 32.2362 178.7713 72 I 3.6464 7.8597 120.0584 64.4646 37.0510 178.2715 73 R 3.9363 8.1642 119.7090 59.3820 29.5077 178.1560 74 E 3.8586 8.0246 118.3300 59.3669 30.0932 178.4043 75 L 4.1098 8.3035 119.4296 57.6924 41.6085 179.2377 76 E 4.6036 8.2144 121.1055 58.8169 29.4533 179.0792 77 G 3.8015 7.9881 103.8913 46.7745 0.0000 174.6390 78 R 4.4511 7.5241 118.4845 54.7788 30.6813 175.3001 79 N 4.2257 8.3589 116.3239 55.0756 37.9716 174.7027 80 L 4.7712 7.9524 116.8463 54.6313 45.3020 177.0504 81 V 4.8222 7.6769 117.5829 60.8814 35.3826 174.1157 82 R 4.9122 9.1853 127.9431 54.6097 32.0315 174.8916 83 R 4.7358 8.0773 127.3434 56.0076 30.9092 175.2629 84 E 4.8414 9.0166 124.6630 54.7495 33.3431 174.7090 85 R 3.6540 8.7917 125.9155 56.1734 31.3374 175.7385 86 N 4.5298 9.0871 121.9592 52.7481 39.2842 174.3015 87 P 4.3105 0.0000 0.0000 64.8186 31.8373 177.0918 88 S 4.5403 8.3948 111.6035 59.5259 64.4938 175.0527 89 D 4.2962 8.2991 119.0535 55.4849 41.5192 176.0191 90 Q 4.1492 8.3621 122.7874 56.4835 29.2976 174.3394 91 R 3.8866 7.4236 114.8315 57.7032 30.6757 175.7672 92 S 4.7466 7.5995 112.3593 57.1930 64.6522 172.4809 93 F 5.4147 8.7516 122.7107 55.8603 42.5645 173.9975 94 Q 4.8785 10.2863 121.3579 54.2832 31.0764 174.5864 95 L 4.8280 9.6129 124.1833 53.8824 43.4832 175.8899 96 F 5.0688 8.9961 120.9732 55.7725 43.7620 173.5903 97 L 5.1402 8.6170 120.3264 53.7171 43.5100 176.6839 98 T 4.4139 8.5399 113.3041 60.7449 70.8592 175.5684 99 D 4.4539 8.7253 121.2344 57.4152 40.6490 178.7178 100 E 4.1105 8.2242 119.7830 59.0447 29.6789 178.8929 101 G 3.6029 8.0785 106.0725 47.5811 0.0000 175.5782 102 L 4.0285 8.4972 122.9428 57.6797 42.0658 179.0170 103 A 3.9757 7.9128 120.4877 55.1942 18.3938 179.5079 104 I 3.7161 7.9856 117.3326 64.2427 37.9884 177.5425 105 H 4.1566 8.4800 119.3157 59.4101 29.7354 177.2109 106 Q 3.8675 8.0479 119.7775 59.1976 28.5763 178.4042 107 H 4.1850 8.2851 118.9157 59.3625 29.7276 177.2225 108 A 3.9510 8.2383 121.6889 54.9365 18.2012 178.9756 109 E 3.9662 8.2638 117.5383 59.3898 29.5431 178.5860 110 A 4.1865 8.1476 120.8149 55.0045 18.2922 179.3084 111 I 3.8390 7.3794 115.3922 62.4296 36.8148 177.7367 *113 S 4.3395 7.9698 117.1435 58.3483 64.2772 175.9086 114 R 3.9399 7.6577 119.1686 59.3585 29.6589 178.6906 115 V 3.6364 7.8106 118.1373 66.0151 31.4467 177.8753 116 H 4.4161 7.9643 115.8039 59.0466 28.4974 177.2562 117 D 4.5066 8.0735 119.5654 57.1633 40.7266 178.4042 118 E 4.0495 8.0062 119.3684 59.3556 29.5557 178.5820 119 L 3.7576 7.7939 117.8590 57.2534 41.8622 178.7486 120 F 4.8106 7.9002 114.4827 57.0340 39.1538 177.3937 121 A 4.0369 7.7136 123.5165 54.6646 18.2436 177.3720 122 P 4.4360 0.0000 0.0000 64.0126 31.7189 175.9006 123 L 4.7973 7.7616 120.7529 53.2503 43.0384 177.1724 124 T 4.1868 8.8052 114.7783 60.8003 70.8232 173.7278 125 P 4.2273 0.0000 0.0000 65.6903 31.2179 179.1849 126 V 3.5719 7.6954 116.5199 66.0603 31.5077 177.7601 127 E 3.9641 8.1835 118.3415 59.4729 29.2785 179.4098 128 Q 3.9350 8.4892 118.2023 59.0013 28.8341 178.7521 129 A 4.0027 8.1455 121.7502 55.3427 18.3404 179.9296 130 T 3.8427 8.0452 114.5066 66.5017 68.4640 176.6330 131 L 3.9043 8.2312 122.6660 58.2766 42.0443 179.2585 132 V 3.5492 7.7633 112.1307 64.7639 31.4817 177.7284 133 H 4.0438 8.1579 117.5997 59.6103 29.7934 177.0256 134 L 3.9115 8.3803 120.7850 57.8905 41.2139 179.6946 135 L 4.0330 7.9578 118.1557 57.7888 41.8137 178.9590 136 D 4.4741 8.4512 119.3057 57.3091 40.5203 178.5452 137 Q 3.9550 7.8770 117.6447 59.5152 28.8699 178.8692 138 C 4.2128 7.7517 115.3559 62.1719 28.1546 174.5036 139 L 4.4035 7.7885 124.4435 54.7758 41.5870 176.1778 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 2 N 8.42 4.45 0.00 2.68 2.33 0.00 0.00 6.85 6.57 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 3 Y 8.77 4.60 0.00 3.06 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 4 P 0.00 4.40 0.00 2.21 2.09 0.00 3.95 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 2.06 2.01 0.00 5 V 8.06 4.12 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 0.81 0.00 0.00 0.96 0.00 0.00 6 N 8.70 4.36 0.00 2.75 2.68 0.00 0.00 6.97 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.40 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 8 D 8.97 4.54 0.00 2.69 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 9 L 7.49 4.12 0.00 1.88 1.64 0.91 0.88 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 *11 P 0.00 4.29 0.00 2.05 2.14 0.00 3.82 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 1.91 2.08 0.00 12 A 7.92 4.04 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 13 L 7.82 3.47 0.00 1.72 1.40 0.84 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.09 4.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.59 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 1.15 0.00 0.00 0.94 0.00 0.00 17 F 8.05 4.58 0.00 3.15 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 18 Q 8.19 4.02 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 19 H 8.46 4.22 0.00 3.26 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.06 3.46 2.32 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 1.02 0.00 0.00 1.05 0.00 0.00 21 R 7.96 3.90 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 22 T 8.20 3.83 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 23 R 8.12 3.82 0.00 1.80 1.79 0.00 3.07 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 24 I 7.75 3.65 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.90 0.00 0.00 25 Q 8.29 3.93 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 26 S 8.24 4.08 0.00 3.97 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 27 E 8.12 3.97 0.00 2.13 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 2.30 2.47 0.00 28 L 8.03 3.94 0.00 1.84 1.69 0.99 0.89 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 29 D 8.18 4.34 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 7.92 4.04 0.00 3.02 3.16 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 31 Q 7.96 4.31 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.26 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 32 R 8.13 3.88 0.00 1.89 1.95 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 33 L 8.03 4.52 0.00 1.57 1.64 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.22 4.40 0.00 2.76 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 35 L 7.49 4.96 0.00 1.58 1.48 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.13 5.20 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 1.26 0.00 0.00 37 P 0.00 4.21 0.00 2.28 2.38 0.00 3.79 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 2.07 2.07 0.00 38 P 0.00 4.54 0.00 2.18 2.14 0.00 3.54 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 2.10 2.17 0.00 39 D 8.25 4.32 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.77 3.62 2.26 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 1.07 0.00 0.00 1.00 0.00 0.00 41 H 8.81 4.22 0.00 3.30 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.87 3.53 2.22 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 0.94 0.00 0.00 0.95 0.00 0.00 43 L 8.02 3.99 0.00 1.89 1.66 0.95 0.70 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 44 K 8.03 3.78 0.00 2.02 2.03 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.47 1.56 7.81 45 L 7.73 4.03 0.00 1.60 1.66 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.67 3.79 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.85 0.00 0.00 47 D 7.87 4.30 0.00 2.58 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 48 E 8.31 4.47 0.00 1.92 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 2.32 2.47 0.00 49 Q 7.61 4.46 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 50 R 7.85 3.71 0.00 1.75 1.86 0.00 3.36 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 51 G 7.22 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.47 3.89 0.00 1.88 1.42 0.90 0.38 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 53 N 8.18 5.16 0.00 3.13 2.89 0.00 0.00 6.72 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 54 L 8.52 3.92 0.00 1.73 1.80 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.09 3.93 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 56 D 9.22 4.34 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.90 3.98 0.00 1.57 1.83 0.85 1.17 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 G 8.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.80 4.03 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 60 Q 8.23 4.21 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 *62 C 7.86 4.42 0.00 2.97 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 63 R 8.21 4.69 0.00 1.70 1.74 0.00 3.21 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 64 D 8.60 4.54 0.00 2.67 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 65 K 8.61 3.97 0.00 1.98 2.07 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 66 A 7.93 3.95 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 67 L 7.80 3.83 0.00 1.75 1.82 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.13 3.65 1.91 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 1.69 0.67 0.88 0.00 0.00 69 T 8.44 3.79 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 1.13 0.00 0.00 70 R 7.99 3.82 0.00 1.99 2.06 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 71 K 7.94 3.86 0.00 1.90 2.01 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 72 I 7.86 3.65 1.94 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 1.54 0.58 0.85 0.00 0.00 73 R 8.16 3.94 0.00 2.08 1.90 0.00 3.03 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 74 E 8.02 3.86 0.00 2.14 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 2.31 2.33 0.00 75 L 8.30 4.11 0.00 1.68 1.70 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.21 4.60 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 77 G 7.99 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 0.00 0.00 0.00 78 R 7.52 4.45 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 79 N 8.36 4.23 0.00 2.79 3.07 0.00 0.00 6.93 7.33 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 80 L 7.95 4.77 0.00 1.62 1.67 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.68 4.82 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 1.03 0.00 0.00 0.93 0.00 0.00 82 R 9.19 4.91 0.00 1.90 1.85 0.00 3.10 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 83 R 8.08 4.74 0.00 2.05 1.81 0.00 3.13 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.75 0.00 84 E 9.02 4.84 0.00 2.13 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 2.22 2.28 0.00 85 R 8.79 3.65 0.00 1.67 1.67 0.00 3.23 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.66 0.00 86 N 9.09 4.53 0.00 2.77 2.71 0.00 0.00 7.29 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 87 P 0.00 4.31 0.00 2.08 2.11 0.00 3.71 0.00 0.00 3.92 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 88 S 8.39 4.54 0.00 3.94 3.95 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 89 D 8.30 4.30 0.00 2.63 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 90 Q 8.36 4.15 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 91 R 7.42 3.89 0.00 1.75 2.01 0.00 3.29 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 92 S 7.60 4.75 0.00 3.90 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 93 F 8.75 5.41 0.00 3.04 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 94 Q 10.29 4.88 0.00 2.41 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 95 L 9.61 4.83 0.00 1.52 1.52 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 F 9.00 5.07 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.62 5.14 0.00 1.55 1.62 0.95 0.89 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 98 T 8.54 4.41 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 99 D 8.73 4.45 0.00 2.80 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 0.00 100 E 8.22 4.11 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 101 G 8.08 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.50 4.03 0.00 1.78 1.71 0.99 1.03 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 0.00 103 A 7.91 3.98 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 0.00 104 I 7.99 3.72 1.90 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 1.42 1.25 1.00 0.00 0.00 105 H 8.48 4.16 0.00 3.31 3.57 0.00 5.84 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 0.00 106 Q 8.05 3.87 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 107 H 8.29 4.19 0.00 3.29 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.24 3.95 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 0.00 109 E 8.26 3.97 0.00 1.93 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 2.29 2.35 0.00 110 A 8.15 4.19 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 0.00 111 I 7.38 3.84 1.97 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.87 0.00 0.00 *113 S 7.97 4.34 0.00 3.89 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 0.00 114 R 7.66 3.94 0.00 1.94 2.04 0.00 3.15 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 V 7.81 3.64 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 1.02 0.00 0.00 0.95 0.00 0.00 116 H 7.96 4.42 0.00 3.52 3.51 0.00 5.70 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 0.00 117 D 8.07 4.51 0.00 2.85 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 0.00 118 E 8.01 4.05 0.00 2.05 2.08 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 2.26 2.33 0.00 119 L 7.79 3.76 0.00 1.17 0.74 0.78 0.68 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 0.00 120 F 7.90 4.81 0.00 3.19 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 0.00 121 A 7.71 4.04 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 0.00 122 P 0.00 4.44 0.00 2.20 2.19 0.00 3.74 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 2.00 1.97 0.00 123 L 7.76 4.80 0.00 1.87 1.68 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.81 4.19 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 0.00 125 P 0.00 4.23 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 126 V 7.70 3.57 2.08 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 1.14 0.00 0.00 0.92 0.00 0.00 127 E 8.18 3.96 0.00 2.33 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 2.33 2.36 0.00 128 Q 8.49 3.94 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 129 A 8.15 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 0.00 130 T 8.05 3.84 4.39 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 1.21 0.00 0.00 131 L 8.23 3.90 0.00 1.80 1.81 0.92 0.90 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 0.00 132 V 7.76 3.55 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 0.70 0.00 0.00 1.01 0.00 0.00 133 H 8.16 4.04 0.00 3.25 3.53 0.00 5.60 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 0.00 134 L 8.38 3.91 0.00 1.81 1.69 0.92 0.64 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 0.00 135 L 7.96 4.03 0.00 1.75 1.73 0.92 1.35 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 0.00 136 D 8.45 4.47 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.88 3.95 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 138 C 7.75 4.21 0.00 3.16 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 0.00 139 L 7.79 4.40 0.00 1.74 1.57 1.02 0.70 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 * Residues marked with a * may have inaccurate shift predictions.