NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0547 8.0549 120.3108 61.4056 32.6829 174.6016 10 I 4.1132 8.2307 123.4400 58.7599 39.3531 170.2566 11 V 4.0243 8.6346 128.5868 61.3003 31.5535 174.4986 12 A 4.2324 9.2116 131.6575 53.7011 18.9223 176.3525 13 D 4.7468 7.4556 113.3919 51.1515 42.7418 175.3316 14 I 3.8972 8.2558 116.9707 62.8196 37.9838 176.8776 15 R 4.5298 7.8242 117.2536 57.3858 30.0208 178.2336 16 Q 4.0805 8.0057 118.5738 58.0721 28.6611 177.7860 17 A 4.1701 7.7156 121.4895 54.6089 19.2977 179.0406 18 E 4.0110 8.3702 117.2078 59.4006 29.4121 180.0420 19 G 3.6407 7.9111 105.2093 47.6055 0.0000 175.7679 20 A 3.9746 7.7428 123.0949 54.9858 18.5069 179.5772 21 L 3.8715 8.1457 117.3336 58.0906 41.7341 179.8494 22 A 4.0255 8.0832 120.7921 54.8210 18.3386 179.3775 23 E 3.8570 7.9905 117.3926 59.4716 29.9271 178.3580 24 I 3.6094 8.3664 120.0554 64.8913 37.4117 177.8440 25 A 4.0307 8.0432 120.9932 55.7266 18.0410 179.9295 26 T 3.9946 7.7323 113.6109 66.6671 68.6046 176.7994 27 I 3.6520 8.1964 122.0416 64.7725 37.1110 177.6229 28 D 4.4169 8.0843 119.1457 57.7930 40.5473 179.4027 29 R 3.9176 7.2716 115.2044 59.4495 30.4585 178.8440 30 K 4.0914 8.5267 118.1676 59.7844 32.0197 179.9191 31 V 3.8001 8.3370 112.9761 64.0924 30.9132 178.7965 32 G 3.5866 8.4395 105.6147 47.0911 0.0000 175.2320 33 E 4.0929 8.1673 121.7155 58.7432 29.5253 178.4886 34 I 3.6848 7.6344 118.6526 64.5666 37.3747 177.5713 35 E 4.0639 8.1904 117.8322 59.4432 29.5083 179.2350 36 A 4.2048 7.6293 119.9061 55.0074 18.3100 180.5214 37 Q 3.7546 7.9779 114.8753 56.7878 29.0121 178.5688 *39 N 4.7654 8.2449 119.8881 53.1404 40.5781 176.0594 40 E 4.2134 8.1257 115.3645 57.6631 29.9576 178.0461 41 A 4.2664 7.5406 120.5752 54.2550 19.6246 179.1921 42 I 3.7532 7.6927 117.5693 64.0731 36.9972 177.8406 43 D 4.4282 7.9385 119.4601 56.5123 41.1778 178.5031 44 A 4.0299 7.7550 120.7231 54.2361 18.2247 179.5258 45 A 3.9863 7.9109 119.7863 55.0517 18.7874 179.7367 46 K 3.8151 7.5772 115.1072 58.8755 32.5196 178.1438 47 A 4.5303 7.5505 120.1903 53.0797 19.9992 179.2438 48 R 3.9462 7.8803 116.6300 59.4109 29.9695 178.8280 49 A 4.0236 8.1880 120.6903 55.1493 18.1435 178.8286 50 S 4.3812 7.4103 107.3246 59.1741 62.4966 173.8459 51 Q 4.4285 7.6556 120.6532 58.1558 30.7413 177.3285 52 K 3.6878 7.9718 116.2191 58.7799 32.2740 178.1420 53 S 4.6446 7.9629 111.3193 58.2719 63.9834 175.7545 54 A 4.0372 7.5757 125.2134 54.7396 18.0355 177.8477 55 P 4.2172 0.0000 0.0000 65.6444 31.4393 178.7804 56 L 3.9975 7.8623 117.4366 57.7423 41.4580 179.2529 57 L 4.1202 7.9581 118.5241 57.1688 41.6550 179.2034 58 A 4.0303 8.0212 121.1530 54.8514 18.2341 179.5397 59 R 3.9307 7.8117 117.4803 59.2407 30.2649 178.6059 60 R 3.8591 7.9223 118.6742 58.7698 29.9858 178.4939 61 K 4.3359 7.7722 120.7762 58.9888 32.3127 178.5191 62 E 3.8623 8.0468 118.9415 59.6857 29.4733 179.7781 63 L 3.9860 8.1711 119.0892 57.7058 41.6575 179.5295 64 E 4.0208 8.0919 117.5764 59.2980 29.6461 178.9406 65 D 4.4015 8.8159 120.3082 57.0662 40.9301 178.5595 66 G 3.9533 8.2232 106.5591 48.2766 0.0000 175.7491 67 V 3.7220 7.8339 120.7237 65.2480 31.4922 177.8905 68 A 3.9822 8.2103 120.5866 55.5598 18.3081 179.6869 69 T 3.8699 8.4102 114.6065 66.7127 68.3169 176.6155 70 F 4.2554 8.3113 120.9888 61.4766 39.3032 176.6669 71 A 3.9821 8.5841 121.0061 55.2048 18.0976 179.8041 72 T 4.0618 8.3613 108.4577 65.0105 68.9845 176.7813 73 L 4.2132 7.7161 119.8002 56.1150 41.9457 177.6183 74 N 4.9349 7.7927 115.3400 52.7039 40.0546 176.2909 75 K 3.9521 7.7505 119.8669 59.9542 32.2329 177.7986 76 T 3.8711 7.6710 108.6524 65.5512 68.6213 175.0110 77 E 3.8450 7.5965 116.0035 56.9978 29.2982 176.7176 *79 F 4.2922 7.6345 117.4201 57.3884 39.9767 174.7967 *84 S 4.9198 8.4402 115.3174 58.6074 62.5987 171.5556 85 L 4.4823 8.5144 126.3551 54.3124 42.2669 175.4255 86 D 4.7829 8.7851 123.8211 53.7898 41.7458 175.6154 87 L 4.6101 9.0591 125.2595 54.5508 41.9979 177.2254 88 G 4.2479 9.4151 117.1008 45.8606 0.0000 175.2196 89 F 4.3033 7.9097 118.0244 56.7410 39.6949 175.4951 90 G 4.0334 7.1126 110.0462 46.1040 0.0000 171.5564 91 T 5.0047 8.3150 115.7982 61.5283 70.6388 174.0986 92 I 4.6548 9.4202 117.6593 58.1109 40.9819 175.3166 93 G 3.5131 7.0382 105.0687 45.8355 0.0000 171.2357 94 F 4.6861 7.7161 118.3061 55.7652 42.5984 173.9589 95 R 4.5806 8.3090 119.3715 55.3945 31.9745 173.7312 96 L 4.6155 8.2807 118.3727 53.1619 43.0174 176.4034 97 S 4.7570 8.6063 119.5518 56.7755 65.4057 173.6180 98 T 4.6498 8.2506 114.5176 60.1415 70.9474 173.6069 99 Q 4.4902 8.1950 122.3157 54.8794 32.1246 173.6220 100 I 4.4107 8.2574 125.6678 59.7142 38.8525 175.1349 101 V 4.6540 7.8973 123.1263 60.8530 35.7510 177.7663 102 Q 4.4321 8.0578 125.8203 55.2541 27.7800 178.3279 *104 S 4.0335 8.5938 121.3406 60.1512 62.8734 173.7569 105 K 3.9953 8.8722 124.8715 57.0088 29.3651 174.9756 106 I 4.3913 7.1742 118.8411 59.8045 38.4215 175.9033 107 T 4.3068 8.2541 122.1308 62.3882 69.6413 174.6297 108 K 4.1326 8.7496 125.0855 60.0817 32.3183 178.8211 109 D 4.7634 7.9006 116.8362 55.0039 40.4124 178.1968 *111 T 4.1463 8.0436 118.0770 63.7298 70.6802 176.5334 112 L 4.0333 8.0617 121.3061 57.8180 41.4017 178.9765 113 E 3.9418 9.0417 119.6154 59.4118 29.4273 179.2130 114 R 3.9465 8.0542 117.1384 59.6420 30.2325 178.5416 115 L 4.0898 8.1415 118.3348 58.1307 41.6498 179.8735 116 R 3.9064 8.1652 117.3515 59.5305 29.8629 178.9538 117 Q 3.8694 7.9466 116.7705 59.1746 28.8912 179.3922 118 F 4.6938 8.2048 114.7727 57.1676 39.2974 176.7611 119 G 3.9451 8.2475 107.2462 46.1047 0.0000 175.2661 120 I 4.1522 7.4083 122.2433 59.4327 35.8274 176.4695 121 S 4.1045 8.0221 118.4658 61.2190 62.8238 175.8969 122 E 4.0834 8.2581 116.8716 58.5954 29.2865 178.0529 123 G 3.6954 8.1567 107.9849 46.9751 0.0000 173.5785 124 I 4.2007 7.4796 121.4155 59.6327 38.1313 174.9695 125 R 4.3890 8.4591 126.1448 54.7300 30.6417 175.2930 126 I 4.1712 8.1979 126.6930 60.0753 38.2550 175.1087 127 K 4.4871 8.5264 125.5005 54.5665 34.0786 174.7232 128 E 4.6534 8.6644 125.7426 54.8529 31.2601 174.7825 129 D 4.6951 8.0948 120.6108 52.2499 44.6485 174.7919 130 V 3.7633 8.1659 123.1028 62.4629 31.9624 176.4528 131 N 4.6246 8.3663 128.6642 52.1022 37.2822 175.1353 132 K 3.8263 7.8825 120.9581 59.1517 33.5203 179.0283 133 E 3.8507 8.2882 117.9540 59.3440 29.9429 177.9173 134 A 4.1891 7.4261 121.8141 51.1098 16.8908 177.2057 *136 Q 4.2560 7.7472 119.2253 55.0483 31.0135 177.1543 137 G 4.0792 8.0434 104.9452 44.7265 0.0000 173.6251 138 W 4.2610 8.2776 120.5857 55.7911 29.6534 174.9356 139 P 4.5440 0.0000 0.0000 62.7023 32.8978 177.1095 140 D 4.4420 8.7313 118.4208 57.7908 40.4245 179.0611 141 E 4.0638 8.0617 117.8547 58.8620 29.6886 178.5515 142 R 3.9490 7.9127 117.7255 59.4250 30.4250 177.9855 143 L 4.4235 7.8762 118.7883 57.6291 41.9424 180.5835 144 E 4.0692 8.3098 121.4860 55.6419 29.0506 178.0756 *146 V 3.7235 7.6502 107.5220 60.7993 33.2249 177.1158 147 G 3.9318 8.3068 107.9984 45.3743 0.0000 174.1201 148 L 4.5898 7.4907 119.2710 53.2848 43.4643 175.5793 149 K 4.5129 8.0638 119.3436 54.9431 35.1164 175.3416 150 R 4.4173 8.3833 124.9348 54.4633 30.3939 175.8855 151 R 4.1992 8.3836 125.3131 56.1020 30.8822 176.2230 152 T 4.7007 8.2676 115.8147 60.4404 70.4907 172.9539 153 T 4.5570 8.2349 123.0230 61.6897 71.9697 173.0328 154 D 4.6198 8.7518 125.3291 53.1229 41.3716 175.2364 155 A 4.8592 8.1925 128.5263 49.8855 22.3517 174.9214 156 F 4.5507 8.8896 123.1448 58.1487 40.1457 174.3060 157 Y 4.5882 7.2412 124.4378 54.8632 40.8812 174.7520 158 I 4.0985 7.9257 120.5153 59.5230 39.9911 174.7764 159 E 4.6013 8.7345 125.3087 54.5332 30.7068 175.8318 160 I 4.0388 8.1492 125.2443 60.2354 38.1468 175.3786 161 N 4.4240 8.6193 123.7673 53.5670 38.4172 175.1891 162 R 4.0131 8.6590 122.0534 57.0985 30.0685 176.9929 163 E 3.6786 8.8935 117.3476 57.3598 27.3265 174.4126 164 E 4.2072 7.3713 114.3086 55.5661 30.3187 177.4120 165 V 3.7520 8.4502 119.9218 63.6590 31.3921 175.8735 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 9 V 8.05 4.05 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 0.92 0.00 0.00 0.93 0.00 0.00 10 I 8.23 4.11 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 0.29 0.90 0.00 0.00 11 V 8.63 4.02 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 0.77 0.00 0.00 0.92 0.00 0.00 12 A 9.21 4.23 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 13 D 7.46 4.75 0.00 2.84 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 14 I 8.26 3.90 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 1.69 1.31 0.95 0.00 0.00 15 R 7.82 4.53 0.00 2.02 2.15 0.00 3.09 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 16 Q 8.01 4.08 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 17 A 7.72 4.17 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 18 E 8.37 4.01 0.00 2.04 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 2.33 2.44 0.00 19 G 7.91 3.64 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 0.00 0.00 0.00 20 A 7.74 3.97 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 21 L 8.15 3.87 0.00 1.75 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.08 4.03 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 23 E 7.99 3.86 0.00 2.05 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 2.38 2.40 0.00 24 I 8.37 3.61 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.92 0.00 0.00 25 A 8.04 4.03 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 26 T 7.73 3.99 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 1.21 0.00 0.00 27 I 8.20 3.65 2.05 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 1.52 0.83 0.91 0.00 0.00 28 D 8.08 4.42 0.00 2.70 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 29 R 7.27 3.92 0.00 2.07 2.01 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 30 K 8.53 4.09 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.63 7.81 31 V 8.34 3.80 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 0.82 0.00 0.00 0.93 0.00 0.00 32 G 8.44 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 E 8.17 4.09 0.00 2.32 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 2.29 2.34 0.00 34 I 7.63 3.68 2.04 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 1.64 0.65 0.91 0.00 0.00 35 E 8.19 4.06 0.00 2.02 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 2.35 2.34 0.00 36 A 7.63 4.20 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 37 Q 7.98 3.75 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 *39 N 8.24 4.77 0.00 3.01 2.90 0.00 0.00 6.77 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 40 E 8.13 4.21 0.00 2.21 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 0.00 2.52 2.32 0.00 41 A 7.54 4.27 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 42 I 7.69 3.75 1.87 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 1.64 0.65 0.91 0.00 0.00 43 D 7.94 4.43 0.00 2.71 2.70 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 44 A 7.75 4.03 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 45 A 7.91 3.99 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 46 K 7.58 3.82 0.00 1.69 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 47 A 7.55 4.53 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 48 R 7.88 3.95 0.00 1.90 1.99 0.00 3.14 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 1.65 1.79 0.00 49 A 8.19 4.02 1.31 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 0.00 0.00 50 S 7.41 4.38 0.00 4.14 3.88 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 51 Q 7.66 4.43 0.00 2.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 52 K 7.97 3.69 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.65 7.81 53 S 7.96 4.64 0.00 4.01 4.21 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 54 A 7.58 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 55 P 0.00 4.22 0.00 2.16 2.10 0.00 3.67 0.00 0.00 3.84 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 56 L 7.86 4.00 0.00 1.89 1.70 0.91 0.66 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 57 L 7.96 4.12 0.00 1.70 1.70 0.92 0.79 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 58 A 8.02 4.03 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 59 R 7.81 3.93 0.00 1.87 2.15 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 60 R 7.92 3.86 0.00 2.06 2.08 0.00 3.13 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 61 K 7.77 4.34 0.00 1.86 1.99 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 62 E 8.05 3.86 0.00 2.22 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 2.34 2.46 0.00 63 L 8.17 3.99 0.00 1.82 1.70 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.09 4.02 0.00 2.22 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 0.00 2.51 2.34 0.00 65 D 8.82 4.40 0.00 2.67 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 66 G 8.22 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 0.00 0.00 0.00 67 V 7.83 3.72 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 1.18 0.00 0.00 0.97 0.00 0.00 68 A 8.21 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 69 T 8.41 3.87 4.49 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 1.28 0.00 0.00 70 F 8.31 4.26 0.00 2.99 3.35 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 71 A 8.58 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.06 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 1.65 0.00 0.00 73 L 7.72 4.21 0.00 1.81 1.78 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.79 4.93 0.00 2.41 2.55 0.00 0.00 6.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.75 3.95 0.00 1.80 1.69 0.00 0.93 0.00 0.00 1.40 0.00 0.00 2.41 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 0.79 7.81 76 T 7.67 3.87 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 77 E 7.60 3.85 0.00 2.01 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 2.33 2.27 0.00 *79 F 7.63 4.29 0.00 3.07 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 *84 S 8.44 4.92 0.00 3.99 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 85 L 8.51 4.48 0.00 1.76 1.74 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.79 4.78 0.00 2.73 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 87 L 9.06 4.61 0.00 1.70 1.67 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.42 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 0.00 0.00 0.00 0.00 89 F 7.91 4.30 0.00 3.07 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 90 G 7.11 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 91 T 8.32 5.00 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 1.31 0.00 0.00 92 I 9.42 4.65 1.90 0.00 0.00 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 1.37 1.54 0.96 0.00 0.00 93 G 7.04 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.72 4.69 0.00 2.70 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 95 R 8.31 4.58 0.00 1.87 1.86 0.00 3.00 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 96 L 8.28 4.62 0.00 1.65 1.63 0.91 0.79 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 97 S 8.61 4.76 0.00 3.81 3.74 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 98 T 8.25 4.65 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 99 Q 8.19 4.49 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 100 I 8.26 4.41 1.87 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 1.29 0.72 0.91 0.00 0.00 101 V 7.90 4.65 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 0.84 0.00 0.00 0.93 0.00 0.00 102 Q 8.06 4.43 0.00 2.08 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.28 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 *104 S 8.59 4.03 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.87 4.00 0.00 1.96 1.92 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.45 7.81 106 I 7.17 4.39 1.88 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 1.48 0.84 0.92 0.00 0.00 107 T 8.25 4.31 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 0.00 108 K 8.75 4.13 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 109 D 7.90 4.76 0.00 2.75 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 *111 T 8.04 4.15 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 112 L 8.06 4.03 0.00 1.82 1.73 0.93 0.78 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 0.00 113 E 9.04 3.94 0.00 2.05 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 2.33 2.50 0.00 114 R 8.05 3.95 0.00 1.93 2.21 0.00 3.19 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 115 L 8.14 4.09 0.00 1.87 1.78 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.17 3.91 0.00 2.02 1.98 0.00 3.17 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 1.66 1.83 0.00 117 Q 7.95 3.87 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 118 F 8.20 4.69 0.00 3.19 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 0.00 119 G 8.25 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 0.00 0.00 0.00 120 I 7.41 4.15 1.91 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 1.18 0.80 0.91 0.00 0.00 121 S 8.02 4.10 0.00 3.86 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 0.00 122 E 8.26 4.08 0.00 2.11 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 2.28 2.26 0.00 123 G 8.16 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 0.00 0.00 0.00 124 I 7.48 4.20 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.92 0.00 0.00 125 R 8.46 4.39 0.00 1.76 1.84 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 126 I 8.20 4.17 1.88 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 1.30 0.56 0.91 0.00 0.00 127 K 8.53 4.49 0.00 1.64 1.66 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.47 7.81 128 E 8.66 4.65 0.00 1.99 1.84 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 2.24 2.27 0.00 129 D 8.09 4.70 0.00 2.53 2.45 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 0.00 130 V 8.17 3.76 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 0.73 0.00 0.00 0.91 0.00 0.00 131 N 8.37 4.62 0.00 2.79 2.61 0.00 0.00 6.92 5.97 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 0.00 132 K 7.88 3.83 0.00 1.77 1.81 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 133 E 8.29 3.85 0.00 1.89 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 2.28 2.34 0.00 134 A 7.43 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 Q 7.75 4.26 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 137 G 8.04 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 0.00 0.00 0.00 0.00 138 W 8.28 4.26 0.00 3.26 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.54 0.00 2.26 2.18 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 140 D 8.73 4.44 0.00 2.81 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 0.00 141 E 8.06 4.06 0.00 1.91 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 2.31 2.42 0.00 142 R 7.91 3.95 0.00 1.58 1.91 0.00 2.66 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 143 L 7.88 4.42 0.00 1.94 1.94 1.00 0.80 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 0.00 144 E 8.31 4.07 0.00 2.22 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 2.33 2.38 0.00 *146 V 7.65 3.72 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 0.87 0.00 0.00 1.17 0.00 0.00 147 G 8.31 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 0.00 0.00 0.00 148 L 7.49 4.59 0.00 1.86 1.63 0.92 0.80 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 0.00 149 K 8.06 4.51 0.00 1.66 1.62 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.43 7.81 150 R 8.38 4.42 0.00 1.81 1.85 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 151 R 8.38 4.20 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 152 T 8.27 4.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 153 T 8.23 4.56 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 1.24 0.00 0.00 154 D 8.75 4.62 0.00 2.66 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 0.00 155 A 8.19 4.86 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 0.00 156 F 8.89 4.55 0.00 3.02 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 0.00 157 Y 7.24 4.59 0.00 2.92 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 0.00 158 I 7.93 4.10 1.78 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 1.22 0.30 0.87 0.00 0.00 159 E 8.73 4.60 0.00 2.00 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 2.62 2.45 0.00 160 I 8.15 4.04 1.87 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 1.30 0.75 0.91 0.00 0.00 161 N 8.62 4.42 0.00 2.68 2.74 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.66 4.01 0.00 2.00 2.17 0.00 3.30 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 163 E 8.89 3.68 0.00 2.10 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 0.00 2.23 2.27 0.00 164 E 7.37 4.21 0.00 1.97 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 2.34 2.39 0.00 165 V 8.45 3.75 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.