NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2450 0.0000 0.0000 62.6520 31.9301 175.5404 3 R 4.1432 8.4796 124.8357 54.0841 30.4880 174.7219 4 A 4.3839 8.0567 131.8384 50.2002 18.2317 175.6426 5 K 4.2303 7.7100 121.6291 55.9913 33.5110 178.1062 6 T 3.8623 8.0079 115.4340 65.2787 69.5711 177.1182 7 G 4.0365 7.5970 110.2971 46.7682 0.0000 176.5085 8 V 3.7646 8.4723 122.6119 65.1146 30.8095 177.3926 9 V 3.5260 7.8178 117.8800 66.0501 31.2969 177.5991 10 R 4.0448 7.8682 117.4319 58.6193 30.0491 177.8987 11 R 3.9115 7.9626 118.0742 60.4813 29.9455 177.5194 12 R 3.7967 8.2355 115.5132 59.4025 29.7622 179.1357 13 K 3.9436 7.8816 117.1886 59.6475 32.4676 178.2498 14 H 4.5495 8.0518 115.8967 58.2583 29.3188 177.3803 15 K 3.8814 9.9272 121.0482 59.5429 31.5367 178.6181 16 K 3.9217 8.7847 120.2406 59.6908 32.4794 178.6767 17 I 3.9207 7.4569 120.1261 64.1248 36.7494 178.1371 18 L 3.9513 8.6016 120.2580 58.0721 41.3834 179.7220 19 K 3.7889 7.5821 116.4311 59.0717 32.1836 177.9532 20 L 4.2564 7.8240 118.7434 56.1656 41.4468 177.4316 21 A 3.7557 9.7250 120.2178 52.9288 18.7047 176.7186 22 K 4.3643 6.8876 115.5793 59.0494 30.5347 175.4028 23 G 4.1821 8.7271 114.5680 45.7749 0.0000 172.0561 24 Y 5.1422 6.9766 116.5636 55.4132 39.7908 174.7775 25 W 4.2498 8.3548 131.5797 59.2974 31.6566 182.4476 26 G 4.2798 8.3965 107.8383 45.1576 0.0000 174.7619 27 L 4.2757 8.6581 121.4897 55.6511 42.2472 178.6548 28 R 4.1829 7.6946 118.8599 58.7312 30.1167 177.8867 29 S 4.8649 8.1376 108.7729 57.8887 64.2048 174.3838 30 K 4.3404 7.8515 119.4296 57.3384 34.2381 176.3404 31 S 4.4174 9.8932 116.2040 57.3109 62.7323 174.2322 *32 F 3.8976 8.1756 126.3004 60.3349 38.3047 174.4416 33 R 4.1014 7.8463 117.1662 58.1116 29.5206 178.4740 34 K 4.2335 7.6872 117.7075 57.6671 33.1778 178.7574 35 A 4.6142 8.2618 123.1519 54.6153 18.6919 179.5923 36 R 3.6334 8.2720 117.3515 59.2995 30.3243 178.7229 37 E 3.5156 7.4662 117.1176 59.4286 29.5871 179.3537 38 T 3.6975 7.3663 115.3994 66.6395 68.5132 176.8459 39 L 4.1736 8.1600 120.9997 57.6142 41.6560 179.6650 40 F 4.5241 7.6044 116.6909 60.5573 38.7146 177.5043 41 A 3.7710 7.6270 118.6901 55.0283 17.4998 178.8810 42 A 4.5375 8.0601 118.7243 55.9595 18.3630 179.5693 43 G 3.9025 8.3845 102.4276 48.4435 0.0000 174.8748 44 N 4.2722 8.1885 118.3572 56.1967 38.6418 176.8957 45 Y 4.3146 8.7941 118.5534 61.0580 37.7853 178.1522 46 A 4.1067 9.3836 121.1377 56.4383 18.7894 178.3457 47 Y 4.0280 8.9523 116.6661 61.7563 39.0711 178.3873 48 A 3.8869 8.9076 121.7578 55.2183 18.6432 179.0065 49 H 4.2745 8.6150 114.6873 58.0455 28.9420 178.0786 50 R 3.9069 7.9609 120.6818 59.1707 29.8905 178.8200 51 K 3.9730 6.9908 114.4384 58.4059 32.3308 178.5991 52 R 4.2872 7.6732 118.2699 58.8346 30.7264 178.7594 53 R 4.5282 8.1471 120.0216 60.3019 30.1278 177.2558 54 K 4.1059 8.4679 118.2206 58.3214 31.8088 178.3189 55 R 3.9312 8.2555 120.3185 60.3951 29.6450 177.5848 56 D 4.1685 8.5712 120.0350 57.4725 40.5503 178.4543 57 F 3.2651 8.2548 117.5300 60.4421 39.0074 177.5541 58 R 4.5107 7.0553 118.2424 60.0106 29.5786 178.3089 59 R 3.7751 7.5283 115.9650 59.5890 30.2712 178.1634 60 L 3.7744 7.7220 119.7926 57.6140 41.9771 178.7001 61 W 4.8877 8.6735 119.2268 60.3914 29.1401 178.5896 62 I 3.7496 8.7667 119.8386 63.4100 36.8158 177.6276 63 V 3.6822 8.4050 120.1345 65.0789 32.0230 177.5832 64 R 3.8894 7.9308 117.1538 59.7006 29.8950 178.4917 65 I 3.4869 7.6906 118.9507 64.4988 36.9765 177.7493 66 N 4.5119 7.7838 117.5182 56.3733 38.9182 176.3579 67 A 4.1617 7.8360 122.1189 54.9531 18.7880 178.9950 68 A 4.0933 8.3065 119.8978 54.8648 18.3562 179.1223 69 C 4.1250 8.5608 116.0797 63.0846 31.6224 175.7061 70 R 5.1289 7.4967 119.6452 58.1421 29.5254 178.0368 71 Q 4.1855 8.6735 118.8172 59.2616 29.2739 178.8858 72 H 4.4540 8.1378 118.2888 55.4907 27.9745 176.5917 73 G 3.6991 7.5378 109.5780 47.2494 0.0000 173.9186 74 L 3.2621 7.7299 115.1363 56.2589 41.9998 173.1944 75 N 5.3494 8.0307 119.4441 50.8922 41.1577 174.6669 76 Y 4.0006 9.5594 123.4127 61.5900 38.8242 178.7490 77 S 4.2629 8.5578 113.7458 62.7021 62.9470 176.6626 78 T 3.9608 8.3314 119.9682 65.5677 68.2990 176.4703 79 F 4.0965 8.8480 122.9908 61.5089 39.0980 177.3446 80 I 3.8944 8.0334 119.0569 64.2244 37.1808 177.4509 81 H 4.2407 8.2116 119.2267 59.1486 29.4660 177.4511 82 G 3.3797 8.4879 107.7377 47.5386 0.0000 175.5526 83 L 3.8887 7.8389 124.0056 57.0445 41.8425 178.7329 84 K 4.0439 8.4631 119.3841 58.5014 32.4774 178.2206 85 K 4.2319 8.0821 118.1315 58.1316 32.0806 177.3959 86 A 4.4833 7.9972 119.7078 50.9326 20.4884 177.1557 87 G 3.9140 7.8962 107.0684 47.3052 0.0000 174.3247 88 I 4.4344 7.1903 108.0461 62.0639 39.1179 175.4965 89 E 3.9154 7.5144 119.1359 57.1295 29.9583 175.8599 90 V 3.8877 8.7155 130.5427 62.0570 35.2084 176.1990 91 D 4.4720 8.8176 117.6348 55.1955 41.1432 175.1845 92 R 3.5620 10.6172 111.8052 56.6657 29.4860 177.5917 93 K 3.9027 8.2484 124.2776 59.2856 31.7407 177.1970 94 N 2.0000 7.2598 113.9047 55.2646 38.5240 175.1181 95 L 4.5262 7.5159 114.0074 53.7713 42.5882 177.3311 96 A 5.1250 8.2338 123.2971 52.9373 17.8924 178.5298 97 D 4.5198 7.5229 115.8724 53.9435 39.2459 177.8035 98 L 3.9781 7.8466 121.5098 58.8811 41.5976 179.7647 99 A 3.2148 7.2165 119.1462 54.3276 18.1166 177.6147 100 V 3.7237 7.2933 116.5285 63.9055 31.9176 176.1182 101 R 4.2454 7.3636 120.6080 56.1003 31.9318 176.4321 102 E 4.4144 8.9546 116.0143 55.7807 28.3450 174.0182 103 P 4.6924 0.0000 0.0000 65.0212 32.0264 177.7461 104 Q 4.2200 7.9466 118.7970 58.5568 29.2326 177.7725 105 V 3.5909 7.5071 118.8966 66.0984 31.6981 177.9711 106 F 4.1046 8.2880 119.5366 61.0701 39.2515 176.6975 107 A 4.0806 8.4913 120.8818 55.1617 18.1627 178.9020 108 E 3.7874 9.9975 117.4010 59.6696 29.4520 178.7663 109 L 3.7357 7.2972 117.0428 58.6162 41.8260 179.2204 110 V 2.9714 7.2616 117.0293 65.4036 31.3765 177.4489 111 E 3.8800 8.1213 117.5799 59.9573 29.7796 179.9798 112 R 3.8359 8.0653 117.4440 59.0983 30.0250 179.0208 113 A 3.7541 8.6047 121.8187 54.7756 18.2590 179.5796 114 K 4.0985 7.7376 113.8398 58.6115 32.7386 178.6574 115 A 4.0210 7.3922 121.7776 55.3438 18.5878 178.9788 116 A 4.0317 7.4812 117.4210 54.8831 19.8084 178.8983 117 Q 4.2145 8.1526 117.0646 55.2193 27.0379 176.6006 118 G 3.7479 7.6884 110.0777 45.8579 0.0000 171.8513 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 P 0.00 4.24 0.00 2.19 2.16 0.00 3.70 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 1.88 1.96 0.00 3 R 8.48 4.14 0.00 1.85 1.88 0.00 3.22 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 1.52 1.69 0.00 4 A 8.06 4.38 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 5 K 7.71 4.23 0.00 1.88 1.86 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.01 3.86 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 7 G 7.60 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 8 V 8.47 3.76 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 1.03 0.00 0.00 0.93 0.00 0.00 9 V 7.82 3.53 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 0.97 0.00 0.00 1.02 0.00 0.00 10 R 7.87 4.04 0.00 1.92 1.90 0.00 3.28 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 11 R 7.96 3.91 0.00 1.92 1.93 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 12 R 8.24 3.80 0.00 2.07 1.86 0.00 3.38 0.00 0.00 3.17 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 13 K 7.88 3.94 0.00 1.96 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.76 7.81 14 H 8.05 4.55 0.00 3.50 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.93 3.88 0.00 2.01 1.85 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 16 K 8.78 3.92 0.00 1.71 2.02 0.00 1.87 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 I 7.46 3.92 1.95 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 1.89 0.75 0.96 0.00 0.00 18 L 8.60 3.95 0.00 1.79 1.71 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.58 3.79 0.00 1.86 1.90 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.82 7.81 20 L 7.82 4.26 0.00 1.66 1.88 0.99 1.09 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 21 A 9.73 3.76 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 22 K 6.89 4.36 0.00 1.65 1.65 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.38 7.81 23 G 8.73 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 6.98 5.14 0.00 3.22 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 25 W 8.35 4.25 0.00 3.44 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.66 4.28 0.00 1.74 1.80 0.94 0.87 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 28 R 7.69 4.18 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 29 S 8.14 4.86 0.00 3.91 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 30 K 7.85 4.34 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.29 7.81 31 S 9.89 4.42 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 F 8.18 3.90 0.00 2.24 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 33 R 7.85 4.10 0.00 1.97 2.24 0.00 2.93 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 34 K 7.69 4.23 0.00 2.02 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.52 7.81 35 A 8.26 4.61 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 36 R 8.27 3.63 0.00 1.81 1.81 0.00 3.19 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.59 0.00 37 E 7.47 3.52 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 38 T 7.37 3.70 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 0.70 0.00 0.00 39 L 8.16 4.17 0.00 1.66 1.85 1.02 1.31 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 40 F 7.60 4.52 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 41 A 7.63 3.77 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 42 A 8.06 4.54 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.38 3.90 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 0.00 0.00 0.00 44 N 8.19 4.27 0.00 2.74 2.77 0.00 0.00 7.17 6.80 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 45 Y 8.79 4.31 0.00 3.23 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 46 A 9.38 4.11 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 47 Y 8.95 4.03 0.00 3.08 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 48 A 8.91 3.89 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 49 H 8.61 4.27 0.00 3.42 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.96 3.91 0.00 1.77 1.92 0.00 3.31 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 51 K 6.99 3.97 0.00 1.65 1.79 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.56 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.17 1.25 7.81 52 R 7.67 4.29 0.00 1.99 2.17 0.00 3.31 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 53 R 8.15 4.53 0.00 2.03 2.18 0.00 3.21 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 54 K 8.47 4.11 0.00 1.82 1.70 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.45 7.81 55 R 8.26 3.93 0.00 2.01 2.22 0.00 2.96 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 56 D 8.57 4.17 0.00 2.80 2.28 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 57 F 8.25 3.27 0.00 1.86 1.45 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 58 R 7.06 4.51 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 59 R 7.53 3.78 0.00 1.89 1.88 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 60 L 7.72 3.77 0.00 1.28 1.26 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.67 4.89 0.00 3.68 3.25 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 62 I 8.77 3.75 1.84 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 1.81 1.08 0.04 0.00 0.00 63 V 8.40 3.68 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 1.00 0.00 0.00 0.93 0.00 0.00 64 R 7.93 3.89 0.00 1.90 1.93 0.00 3.32 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 65 I 7.69 3.49 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.72 0.00 0.00 66 N 7.78 4.51 0.00 2.76 2.96 0.00 0.00 7.35 7.84 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 67 A 7.84 4.16 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 68 A 8.31 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.56 4.13 0.00 2.86 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 70 R 7.50 5.13 0.00 2.12 2.11 0.00 3.19 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 71 Q 8.67 4.19 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 72 H 8.14 4.45 0.00 3.21 3.33 0.00 5.84 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 73 G 7.54 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 74 L 7.73 3.26 0.00 2.05 2.12 1.12 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.03 5.35 0.00 3.09 3.01 0.00 0.00 5.53 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 76 Y 9.56 4.00 0.00 3.11 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 77 S 8.56 4.26 0.00 4.19 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 0.00 78 T 8.33 3.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 79 F 8.85 4.10 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.89 1.95 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 0.92 0.31 0.92 0.00 0.00 81 H 8.21 4.24 0.00 3.26 3.46 0.00 5.77 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 82 G 8.49 3.38 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 0.00 83 L 7.84 3.89 0.00 1.75 1.74 0.62 0.49 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 84 K 8.46 4.04 0.00 1.97 1.94 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 85 K 8.08 4.23 0.00 1.90 1.64 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 86 A 8.00 4.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.90 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 88 I 7.19 4.43 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.90 0.00 0.00 89 E 7.51 3.92 0.00 2.11 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 2.27 2.35 0.00 90 V 8.72 3.89 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 0.86 0.00 0.00 0.97 0.00 0.00 91 D 8.82 4.47 0.00 3.00 2.79 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 92 R 10.62 3.56 0.00 1.94 2.22 0.00 3.20 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 93 K 8.25 3.90 0.00 2.09 2.16 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.39 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.63 1.61 7.81 94 N 7.26 2.00 0.00 1.44 2.36 0.00 0.00 6.87 7.78 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 95 L 7.52 4.53 0.00 1.60 1.58 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.23 5.13 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 97 D 7.52 4.52 0.00 2.93 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 98 L 7.85 3.98 0.00 1.97 1.97 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.22 3.21 0.24 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 0.00 0.00 100 V 7.29 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 0.79 0.00 0.00 0.89 0.00 0.00 101 R 7.36 4.25 0.00 1.98 1.85 0.00 3.37 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 102 E 8.95 4.41 0.00 2.23 2.16 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 2.32 2.21 0.00 103 P 0.00 4.69 0.00 2.40 2.53 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 104 Q 7.95 4.22 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 105 V 7.51 3.59 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 1.02 0.00 0.00 1.01 0.00 0.00 106 F 8.29 4.10 0.00 3.34 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.49 4.08 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 0.00 108 E 10.00 3.79 0.00 2.10 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 0.00 2.25 2.32 0.00 109 L 7.30 3.74 0.00 1.67 1.50 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.26 2.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 111 E 8.12 3.88 0.00 2.01 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 2.27 2.48 0.00 112 R 8.07 3.84 0.00 1.84 1.83 0.00 3.20 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 113 A 8.60 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.74 4.10 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.40 7.81 115 A 7.39 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.48 4.03 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 0.00 117 Q 8.15 4.21 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 118 G 7.69 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.