NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.2778 8.2549 117.2712 56.1451 30.7294 174.2543 8 E 4.2495 8.2469 117.4676 54.9184 33.0407 173.8767 9 Q 4.8263 8.4144 128.9014 53.7517 28.2354 173.4790 10 S 4.4249 7.1920 115.2773 58.3533 68.2184 176.6761 11 E 4.0052 8.2293 123.3149 55.7685 29.6399 176.3382 12 R 4.9393 8.2453 125.4562 54.5318 33.5566 174.8202 13 F 4.7780 9.2232 122.3080 55.6952 41.2512 175.0421 14 N 5.0966 8.9360 121.7995 53.4952 39.0773 174.7210 15 V 4.7910 9.2815 122.7602 60.2970 36.1781 173.6554 16 Y 4.8467 8.8405 121.9091 56.0121 41.1232 173.6245 17 L 4.4454 8.2671 135.0000 54.2888 45.0208 173.8098 *19 P 4.5022 0.0000 0.0000 62.7485 32.5907 175.6054 20 S 4.6043 7.8708 112.9103 56.1976 65.7532 173.5559 21 P 4.3184 0.0000 0.0000 65.7171 31.2658 176.9584 22 N 4.6530 8.0557 113.3573 52.9558 37.8381 174.4325 23 L 4.5883 7.5169 119.9540 53.9730 45.3134 176.1182 24 D 4.7921 8.6508 129.7775 53.1968 40.4936 176.2763 25 V 4.6162 7.2410 117.8744 60.4566 34.9433 174.6549 26 H 4.7532 8.6189 116.2680 55.6736 31.3838 175.0228 27 G 2.2022 8.3988 108.8479 43.7022 0.0000 171.6592 28 E 5.0522 8.4388 119.9705 56.7129 30.0735 177.2640 29 C 4.8274 8.6601 119.3125 57.8012 33.4888 171.8551 30 A 5.2712 8.9434 121.2345 50.2415 20.7645 175.9262 31 L 4.9638 9.3923 125.8464 54.7683 44.0839 175.3646 32 Q 4.9983 9.1896 125.1247 54.8694 33.0685 173.0248 33 I 4.9808 8.6022 126.8129 59.9851 39.2328 175.0952 34 T 4.7616 8.9899 118.5444 59.7227 71.5069 173.2649 35 Y 4.0344 8.9229 117.9788 61.2031 37.8336 177.5462 36 E 4.5357 8.4211 115.7512 56.3129 31.0967 174.6157 37 Y 5.4129 7.9812 116.0123 56.6154 43.2949 173.7201 38 I 4.8971 9.0515 122.3343 60.0664 39.6251 174.8565 39 C 5.3564 9.8180 124.5610 57.8612 32.5685 172.8386 40 L 5.4078 8.4259 120.8073 52.9886 44.3033 176.0060 41 W 5.0412 9.3034 123.3194 54.5316 33.0527 174.4862 42 D 4.8307 8.9908 120.8977 54.3860 41.3894 177.2229 43 V 3.9437 8.4549 122.9826 64.7843 32.2076 177.3936 44 Q 4.0030 8.1917 118.2249 57.8865 29.0526 176.1336 45 N 4.7393 8.9682 125.0516 51.1291 38.3139 173.6345 46 P 4.8542 0.0000 0.0000 63.6846 31.5466 177.8659 47 R 4.1439 8.0059 116.6160 57.3243 30.6605 176.2442 48 V 4.3274 8.2104 120.0683 61.2001 32.9879 174.4508 49 K 3.7643 8.5146 129.7448 55.4477 32.3815 176.1007 50 L 4.2356 8.6578 128.2289 56.7406 42.9288 176.3163 51 I 3.8422 6.9580 116.6790 60.8522 41.1297 172.5934 52 S 5.0097 7.3353 117.8064 56.8875 66.0562 173.7487 53 W 5.2150 9.3806 120.8713 54.3020 33.4240 172.8642 54 P 4.4761 0.0000 0.0000 61.8200 31.9112 176.7816 55 L 3.6363 8.6006 124.4703 57.9725 41.7004 179.6801 56 S 4.0905 7.9322 110.5964 60.2204 63.1936 174.4205 57 A 4.4050 8.7054 124.5357 52.0939 19.1496 176.5420 58 L 4.5696 7.8647 117.5927 54.3755 41.6017 177.3184 59 R 4.2221 8.9047 124.6504 59.3696 30.7401 177.1965 60 R 4.4474 7.9018 114.8057 56.0087 34.5074 173.3107 61 Y 5.1815 7.4781 117.2359 56.8967 40.8993 173.4153 62 G 4.3114 8.9764 107.3389 46.9366 0.0000 171.5540 63 R 5.3354 8.3236 115.5404 57.0654 31.8409 172.5466 64 D 4.5367 8.5856 116.4145 53.8391 41.7538 175.3216 65 T 4.1404 8.6888 114.6266 66.1672 68.8770 174.8304 66 T 4.6075 10.0690 109.7649 59.2406 71.0972 173.7153 67 W 5.7128 8.5375 120.9873 54.8525 33.6188 174.0259 68 F 5.6718 9.7687 124.0297 57.0271 42.5112 173.6084 69 T 5.0890 8.2027 114.6811 60.4269 72.4988 172.4573 70 F 5.3535 8.4255 117.0171 55.6293 42.2592 172.4432 71 E 5.1758 9.8317 120.8859 54.5415 31.7867 175.1782 72 A 4.8468 9.4667 129.2461 51.6625 20.9820 176.9753 73 G 4.1204 8.2367 107.0571 44.3155 0.0000 174.4923 74 R 4.3443 8.0743 117.2107 55.2840 28.6855 175.4597 *76 C 4.4154 7.4592 114.5696 57.5749 31.5140 175.3702 77 E 3.9109 8.9194 120.2397 59.9678 28.9697 179.2424 78 T 4.0040 7.7612 106.4425 62.3350 69.5117 175.3696 79 G 3.9086 7.8838 110.2234 44.2386 0.0000 172.7465 80 E 4.7262 8.1809 116.9271 56.0425 30.0936 175.8145 81 G 4.1857 8.2660 105.9067 43.5539 0.0000 172.5851 82 L 4.7498 7.4620 121.4938 53.6360 43.5028 176.3078 83 F 4.1644 8.4501 119.5849 55.5290 42.8147 173.7481 84 I 4.5891 7.8764 123.8390 59.3482 39.3969 174.9203 85 F 5.3160 9.7966 125.7720 55.8354 42.6097 173.9177 86 Q 4.6549 9.8380 125.4799 55.6785 30.0137 174.5870 87 T 4.9677 9.1223 122.4674 62.4039 73.0121 175.0938 88 R 4.1853 8.8252 120.6014 57.8842 30.4677 176.5129 89 D 4.9349 7.8835 118.8371 54.4404 41.6254 178.2975 90 G 3.8068 8.0814 107.1299 46.7157 0.0000 175.3512 91 E 4.0435 8.0638 121.4482 59.0798 29.9255 178.0795 92 A 3.9853 7.8285 120.2898 55.3056 18.5634 179.5447 93 I 2.9383 7.1521 118.2731 64.0913 36.9421 178.0641 94 Y 4.0211 7.7778 120.3406 60.7524 38.7167 177.9652 95 Q 4.0144 8.5775 119.2625 59.0371 28.8911 179.0665 96 K 3.8180 7.9438 119.1451 59.4820 32.0654 179.4763 97 V 3.2699 7.3813 118.2018 66.1022 31.2276 177.2448 98 H 3.9035 8.0129 118.4725 59.3532 29.5299 177.3140 99 S 3.9634 8.0048 115.5600 61.2622 62.9501 176.0949 100 A 3.7948 7.9419 124.3984 54.8697 17.6391 179.5625 101 A 3.9540 8.5571 119.3617 54.7214 18.3452 179.9330 102 L 3.9751 7.5381 117.6012 57.6241 41.8434 178.9229 103 A 3.9870 8.5422 121.1967 55.6272 18.0792 179.7975 104 I 3.6631 7.5583 116.3247 64.4373 37.2197 178.2735 105 A 4.1578 7.6394 120.6718 54.9373 17.9830 179.6067 106 E 3.9439 7.9417 116.3038 59.6341 29.7267 179.4218 107 L 4.1356 7.9800 117.1846 56.9338 41.7146 178.3901 108 E 4.3767 7.5044 116.7966 56.7819 29.9753 176.2881 109 R 4.1104 7.8799 122.5803 56.4086 30.2399 176.2473 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 7 R 8.25 4.28 0.00 1.91 1.99 0.00 2.93 0.00 0.00 3.12 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 8 E 8.25 4.25 0.00 2.06 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 0.00 2.25 2.39 0.00 9 Q 8.41 4.83 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 10 S 7.19 4.42 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 4.01 0.00 1.84 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 1.80 1.58 0.00 12 R 8.25 4.94 0.00 1.59 1.81 0.00 3.00 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 13 F 9.22 4.78 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.94 5.10 0.00 2.70 2.87 0.00 0.00 6.82 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 15 V 9.28 4.79 2.38 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 1.07 0.00 0.00 1.12 0.00 0.00 16 Y 8.84 4.85 0.00 3.18 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 17 L 8.27 4.45 0.00 2.02 1.62 0.52 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *19 P 0.00 4.50 0.00 2.08 1.96 0.00 3.80 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 20 S 7.87 4.60 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.32 0.00 2.18 2.19 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 22 N 8.06 4.65 0.00 2.94 3.03 0.00 0.00 5.69 7.79 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 23 L 7.52 4.59 0.00 1.83 1.78 0.91 1.49 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 24 D 8.65 4.79 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 4.62 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 0.91 0.00 0.00 1.02 0.00 0.00 26 H 8.62 4.75 0.00 3.21 3.25 0.00 5.56 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 27 G 8.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.44 5.05 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 2.40 2.34 0.00 29 C 8.66 4.83 0.00 3.32 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 A 8.94 5.27 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 31 L 9.39 4.96 0.00 1.74 1.84 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.19 5.00 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 33 I 8.60 4.98 1.85 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 1.23 0.55 0.82 0.00 0.00 34 T 8.99 4.76 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 1.35 0.00 0.00 35 Y 8.92 4.03 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.42 4.54 0.00 1.88 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 2.29 2.36 0.00 37 Y 7.98 5.41 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.05 4.90 1.97 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.99 0.00 0.00 39 C 9.82 5.36 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.43 5.41 0.00 1.62 1.67 1.45 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.30 5.04 0.00 3.32 3.22 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 42 D 8.99 4.83 0.00 2.92 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 43 V 8.45 3.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 44 Q 8.19 4.00 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 45 N 8.97 4.74 0.00 2.68 2.76 0.00 0.00 7.35 7.72 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 46 P 0.00 4.85 0.00 1.99 1.97 0.00 3.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 47 R 8.01 4.14 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 48 V 8.21 4.33 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 0.93 0.00 0.00 1.02 0.00 0.00 49 K 8.51 3.76 0.00 0.79 1.23 0.00 1.37 0.00 0.00 1.19 0.00 0.00 2.28 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.74 0.21 7.81 50 L 8.66 4.24 0.00 1.52 1.64 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 I 6.96 3.84 1.59 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.22 0.65 0.00 0.00 52 S 7.34 5.01 0.00 3.71 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 W 9.38 5.21 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.48 0.00 2.00 1.74 0.00 3.91 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 55 L 8.60 3.64 0.00 1.59 1.69 0.91 0.46 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 56 S 7.93 4.09 0.00 3.95 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 57 A 8.71 4.41 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 58 L 7.86 4.57 0.00 1.82 1.84 0.54 0.69 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 59 R 8.90 4.22 0.00 1.92 2.02 0.00 3.26 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 1.71 1.68 0.00 60 R 7.90 4.45 0.00 1.70 1.69 0.00 3.12 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 61 Y 7.48 5.18 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.98 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 0.00 0.00 0.00 0.00 63 R 8.32 5.34 0.00 2.07 2.33 0.00 2.99 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.70 0.00 64 D 8.59 4.54 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.69 4.14 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 1.18 0.00 0.00 66 T 10.07 4.61 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 1.09 0.00 0.00 67 W 8.54 5.71 0.00 3.34 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 68 F 9.77 5.67 0.00 3.12 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 69 T 8.20 5.09 4.12 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 1.15 0.00 0.00 70 F 8.43 5.35 0.00 3.21 3.01 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 0.00 0.00 0.00 71 E 9.83 5.18 0.00 2.02 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 2.28 2.26 0.00 72 A 9.47 4.85 1.71 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 0.00 0.00 73 G 8.24 4.12 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 0.00 0.00 0.00 74 R 8.07 4.34 0.00 1.86 1.96 0.00 3.27 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 *76 C 7.46 4.42 0.00 3.22 3.24 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 0.00 77 E 8.92 3.91 0.00 1.74 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 2.24 2.24 0.00 78 T 7.76 4.00 4.61 0.00 0.00 0.00 0.00 0.00 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 79 G 7.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.18 4.73 0.00 2.04 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 2.39 2.36 0.00 81 G 8.27 4.19 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 0.00 82 L 7.46 4.75 0.00 1.27 1.35 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.45 4.16 0.00 1.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.88 4.59 1.63 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.51 0.54 0.00 0.00 85 F 9.80 5.32 0.00 3.40 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 9.84 4.65 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.00 1.38 0.00 87 T 9.12 4.97 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 1.36 0.00 0.00 88 R 8.83 4.19 0.00 1.91 2.04 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 89 D 7.88 4.93 0.00 2.78 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 90 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.06 4.04 0.00 2.11 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 2.39 2.47 0.00 92 A 7.83 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 93 I 7.15 2.94 1.05 0.00 0.00 0.45 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 -0.23 -0.60 0.00 0.00 94 Y 7.78 4.02 0.00 3.28 3.15 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 95 Q 8.58 4.01 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 96 K 7.94 3.82 0.00 1.73 1.77 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.51 7.81 97 V 7.38 3.27 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.60 0.00 0.00 98 H 8.01 3.90 0.00 2.68 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.00 3.96 0.00 4.04 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 0.00 100 A 7.94 3.79 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 0.00 101 A 8.56 3.95 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 0.00 102 L 7.54 3.98 0.00 1.76 1.67 0.76 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.54 3.99 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 0.00 104 I 7.56 3.66 1.96 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 1.59 0.87 0.88 0.00 0.00 105 A 7.64 4.16 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 0.00 106 E 7.94 3.94 0.00 1.99 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 2.50 0.00 107 L 7.98 4.14 0.00 1.62 1.73 0.97 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 0.00 108 E 7.50 4.38 0.00 1.97 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 2.27 2.44 0.00 109 R 7.88 4.11 0.00 1.80 1.84 0.00 3.40 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.