NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2023 8.3101 121.7881 56.1913 33.2468 174.7229 2 A 4.6538 8.4813 128.5955 50.0104 21.7165 174.2047 3 C 5.0983 8.1430 117.5311 54.5419 39.3245 172.7254 4 T 4.0408 8.1941 111.8859 62.2973 68.6744 174.6513 5 R 4.6720 8.3650 125.0585 56.5039 30.6243 176.3794 6 E 4.3494 7.6005 114.8599 55.3587 31.1165 174.5851 7 C 4.4946 8.4543 120.4973 55.2380 38.9624 173.9156 8 G 3.8542 8.2379 115.8876 45.3448 0.0000 172.1510 9 N 5.3286 8.0966 115.0039 52.4905 39.0714 174.0801 10 L 4.3303 7.6276 117.7211 54.4022 43.2270 178.2662 11 G 3.8631 9.3082 111.6798 47.8228 0.0000 173.8133 12 F 5.0144 7.2765 113.5452 55.6379 41.2751 172.0944 13 G 4.5097 8.9590 104.8248 44.5664 0.0000 172.1052 14 I 4.6666 8.7822 123.4453 59.5445 40.2294 174.0102 15 C 5.5111 8.6791 124.4407 53.1715 41.7461 170.9826 16 P 4.1165 0.0000 0.0000 62.4927 29.9292 174.9081 17 R 4.5957 8.0546 122.1407 53.6152 32.0648 175.8982 18 S 4.2952 8.6422 120.4553 58.6238 63.7882 172.8778 19 E 4.5421 9.4061 120.0517 56.2688 32.3186 175.3538 20 G 4.3270 10.2882 104.7202 45.8098 0.0000 172.1279 21 S 4.3225 8.4084 112.1901 56.0393 66.2816 173.6555 22 P 4.1858 0.0000 0.0000 65.8476 30.8656 177.9617 23 L 4.2920 7.6907 113.7856 55.5075 42.5840 176.7742 24 N 4.9967 7.9106 117.6660 51.1216 38.9792 171.5690 25 P 4.8289 0.0000 0.0000 62.7038 32.5367 177.1716 26 I 4.2465 8.5901 115.6230 60.5954 39.4380 173.9465 27 C 4.8739 8.0732 122.3156 55.3313 45.3335 172.3775 28 I 4.1491 7.6559 124.8285 60.9335 41.3152 171.8653 29 N 5.1850 7.8734 120.7623 50.5517 40.5164 174.6944 30 C 3.8095 8.5787 116.2310 60.3978 40.5549 177.2352 31 C 4.3272 8.3364 117.8741 59.1871 43.2642 174.6189 32 S 3.9253 8.6854 111.7360 59.1285 63.2111 174.5941 33 G 3.3815 7.3364 111.0024 45.6439 0.0000 171.9887 34 Y 4.9794 8.9209 118.0980 55.7736 39.4041 176.1897 35 K 4.7556 8.1985 124.0316 57.5480 32.6226 177.6550 36 G 4.0642 9.0009 110.9982 45.0474 0.0000 172.6622 37 C 5.1817 7.9482 116.5325 55.2420 43.8875 172.4571 38 N 5.5313 9.1627 119.2569 51.6471 41.8254 173.0711 39 Y 4.6231 8.3489 119.8237 56.2595 41.1867 174.5100 40 Y 5.1304 8.1053 120.3133 56.0634 42.5208 174.8422 41 N 5.1916 8.8867 119.0399 50.7913 39.7341 176.0071 42 S 4.0528 8.8374 112.5386 60.9656 62.7821 174.9659 43 F 4.6850 8.3884 117.7243 56.9872 38.8932 176.2247 44 G 4.0877 8.5945 108.5185 45.6839 0.0000 173.5652 45 K 4.4493 8.9914 122.1732 54.6919 32.9913 176.1642 46 F 4.5671 9.1602 128.3928 58.7903 40.0247 174.2077 47 I 4.0647 6.6009 126.4253 61.8082 39.4404 173.0082 48 C 4.7157 5.7800 112.4773 55.1630 43.8114 172.1439 49 E 5.2613 8.8468 120.0742 53.9750 31.8387 175.5347 50 G 4.4472 9.0946 112.3803 46.8305 0.0000 173.8909 51 E 4.5438 9.0405 123.4192 57.0470 31.1924 176.1625 52 S 4.9115 8.0503 114.4163 56.3233 66.3380 172.9187 53 D 5.1610 8.2609 118.5067 50.4888 41.8399 173.2838 54 P 4.3338 0.0000 0.0000 66.5563 31.1248 176.6421 55 K 3.6075 7.1702 119.6173 56.1619 32.5075 175.5810 56 R 3.6924 8.3751 124.6165 55.8720 26.5712 174.1959 57 P 4.8109 0.0000 0.0000 61.4167 33.2895 174.8062 58 N 4.9216 8.0386 114.5890 51.2464 40.1606 173.6201 59 A 4.2623 8.2489 121.9877 51.7993 19.4938 177.7688 60 C 5.0306 8.1071 118.7095 54.7229 44.3538 174.2899 61 T 4.0358 8.2932 112.2438 62.0732 69.2756 174.6591 62 F 5.2001 8.4397 122.9322 57.6808 38.9757 175.2388 63 N 5.1097 7.7479 116.4545 50.9389 40.1725 175.1163 64 C 4.3757 8.4565 117.0350 56.6321 42.2033 173.0666 65 D 4.6767 8.5098 123.5401 52.2269 40.7740 175.3134 66 P 4.2331 0.0000 0.0000 65.7437 31.2067 177.5711 67 N 4.5311 8.9103 114.9292 54.5564 38.6994 174.3570 68 I 4.7066 7.7764 119.7184 59.5091 39.3989 174.5311 69 A 4.7933 9.2430 127.0468 53.3254 21.1715 175.6562 70 Y 5.4018 7.6321 111.3899 55.8185 42.1856 173.6693 71 S 4.6502 9.3689 113.6703 56.7179 66.6747 173.8490 72 R 4.7737 8.6867 118.9129 54.1353 34.3584 173.2249 73 C 4.9460 9.0140 118.9204 57.4509 40.4295 175.2493 *86 G 3.7609 8.9175 117.4210 45.9142 0.0000 173.7616 87 C 4.0833 8.1610 117.3272 56.9191 39.6628 173.7211 88 T 4.0125 7.5361 114.0028 61.5564 67.5996 173.2827 89 T 4.4849 7.6918 117.1588 59.3142 71.6943 175.4883 90 C 3.8670 8.3507 118.0528 60.1202 40.3861 177.1485 91 C 4.4474 7.8365 117.8617 59.0983 43.4488 174.6544 92 T 3.6147 7.7666 115.6112 65.8006 68.3344 174.9019 93 G 3.4111 8.1600 109.5347 46.1888 0.0000 171.7776 94 Y 5.5441 8.5744 117.3721 55.7523 40.2310 176.0786 95 K 4.5565 8.5945 124.1075 57.3823 33.3493 177.1036 96 G 4.1634 8.6275 110.2739 45.2749 0.0000 172.1456 97 C 5.2874 7.6304 115.9229 55.0389 46.3574 172.4439 98 Y 4.8638 8.9971 119.1107 56.5161 40.7336 174.2289 99 Y 5.1147 8.6763 122.7460 56.6365 40.2171 174.9769 100 F 4.8826 9.0392 121.1721 55.8966 43.2334 175.3355 101 G 4.1178 7.9298 109.8971 44.0107 0.0000 173.3714 102 K 3.8384 8.7583 119.3818 56.9961 33.0800 175.9949 103 D 4.2488 9.4506 116.9175 61.5015 39.4543 176.5490 104 G 4.2648 6.4965 109.2994 46.6858 0.0000 172.5321 105 K 4.7587 8.3634 120.7075 54.3830 34.5471 176.3581 106 F 3.4896 9.0540 125.3281 59.0452 39.8224 173.6684 107 V 4.0092 6.1102 124.0499 63.2317 33.0890 172.6606 108 C 4.4841 6.2250 111.6183 54.9126 44.4426 171.1871 109 E 5.0113 8.6734 119.7621 53.9330 31.4977 175.6597 110 G 4.4843 8.4646 111.6113 46.4462 0.0000 173.5850 111 E 4.7174 8.5607 117.2127 56.1538 32.7228 176.6624 112 S 4.6356 8.3439 116.0239 57.6450 64.9588 173.2148 113 D 5.1367 8.4681 120.9123 52.6712 42.3540 176.8195 114 E 3.5993 8.4273 121.8036 55.3909 30.0987 175.5089 115 P 4.4112 0.0000 0.0000 62.8169 32.1313 176.7164 116 K 4.1714 8.4245 119.1183 56.6538 32.4582 176.2460 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 K 8.31 4.20 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 2 A 8.48 4.65 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 3 C 8.14 5.10 0.00 2.86 2.89 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 4 T 8.19 4.04 4.29 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 1.18 0.00 0.00 5 R 8.37 4.67 0.00 1.80 1.96 0.00 3.33 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 6 E 7.60 4.35 0.00 2.07 1.91 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 2.22 2.34 0.00 7 C 8.45 4.49 0.00 2.92 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 8 G 8.24 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 0.00 0.00 0.00 9 N 8.10 5.33 0.00 2.61 2.70 0.00 0.00 7.02 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 10 L 7.63 4.33 0.00 1.67 1.74 0.67 0.89 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 11 G 9.31 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.28 5.01 0.00 3.13 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 13 G 8.96 4.51 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 14 I 8.78 4.67 2.12 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 1.52 1.20 0.85 0.00 0.00 15 C 8.68 5.51 0.00 2.82 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 16 P 0.00 4.12 0.00 2.03 1.93 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 1.84 1.13 0.00 17 R 8.05 4.60 0.00 1.87 1.81 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 18 S 8.64 4.30 0.00 4.28 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 19 E 9.41 4.54 0.00 2.14 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 2.38 2.29 0.00 20 G 10.29 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 0.00 0.00 0.00 0.00 21 S 8.41 4.32 0.00 3.84 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 22 P 0.00 4.19 0.00 1.97 2.27 0.00 3.51 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 23 L 7.69 4.29 0.00 1.57 1.67 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.91 5.00 0.00 2.69 2.62 0.00 0.00 6.88 7.75 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 25 P 0.00 4.83 0.00 2.24 2.07 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 26 I 8.59 4.25 1.94 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 1.40 0.68 1.07 0.00 0.00 27 C 8.07 4.87 0.00 2.95 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 28 I 7.66 4.15 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.74 0.00 0.00 29 N 7.87 5.18 0.00 2.81 2.75 0.00 0.00 7.40 7.34 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 30 C 8.58 3.81 0.00 2.86 3.05 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 31 C 8.34 4.33 0.00 2.84 3.21 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 32 S 8.69 3.93 0.00 3.85 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 33 G 7.34 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 34 Y 8.92 4.98 0.00 3.16 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 35 K 8.20 4.76 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.49 7.81 36 G 9.00 4.06 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 0.00 37 C 7.95 5.18 0.00 3.10 2.65 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 0.00 0.00 0.00 0.00 38 N 9.16 5.53 0.00 2.59 2.58 0.00 0.00 6.83 8.07 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 39 Y 8.35 4.62 0.00 2.61 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 40 Y 8.11 5.13 0.00 1.88 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 41 N 8.89 5.19 0.00 2.94 3.12 0.00 0.00 6.64 7.74 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 42 S 8.84 4.05 0.00 3.60 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 43 F 8.39 4.68 0.00 3.29 3.14 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 44 G 8.59 4.09 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 0.00 0.00 0.00 45 K 8.99 4.45 0.00 1.90 2.07 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.51 7.81 46 F 9.16 4.57 0.00 3.25 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 47 I 6.60 4.06 1.64 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 1.36 1.09 0.75 0.00 0.00 48 C 5.78 4.72 0.00 2.85 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 49 E 8.85 5.26 0.00 2.30 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 2.29 2.59 0.00 50 G 9.09 4.45 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 0.00 0.00 0.00 51 E 9.04 4.54 0.00 2.14 1.93 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 2.25 2.24 0.00 52 S 8.05 4.91 0.00 3.79 4.06 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 53 D 8.26 5.16 0.00 2.66 2.60 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 54 P 0.00 4.33 0.00 1.64 1.44 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 55 K 7.17 3.61 0.00 1.41 1.39 0.00 1.54 0.00 0.00 1.16 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.21 7.81 56 R 8.38 3.69 0.00 1.93 1.97 0.00 3.17 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 57 P 0.00 4.81 0.00 2.22 2.14 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 58 N 8.04 4.92 0.00 2.76 2.76 0.00 0.00 6.00 7.26 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 59 A 8.25 4.26 1.16 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 0.00 0.00 60 C 8.11 5.03 0.00 2.95 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 61 T 8.29 4.04 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 1.16 0.00 0.00 62 F 8.44 5.20 0.00 2.97 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 63 N 7.75 5.11 0.00 2.79 2.78 0.00 0.00 6.36 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 64 C 8.46 4.38 0.00 2.97 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 65 D 8.51 4.68 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 66 P 0.00 4.23 0.00 2.08 2.12 0.00 3.71 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 2.02 2.11 0.00 67 N 8.91 4.53 0.00 2.89 2.83 0.00 0.00 6.73 7.38 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 68 I 7.78 4.71 1.83 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 1.02 0.00 0.00 69 A 9.24 4.79 1.44 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 0.00 0.00 70 Y 7.63 5.40 0.00 3.28 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 71 S 9.37 4.65 0.00 3.14 3.78 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 72 R 8.69 4.77 0.00 1.90 1.93 0.00 3.44 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 73 C 9.01 4.95 0.00 2.95 2.06 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 *86 G 8.92 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 87 C 8.16 4.08 0.00 3.10 3.33 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 88 T 7.54 4.01 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 1.17 0.00 0.00 89 T 7.69 4.48 4.10 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 1.17 0.00 0.00 90 C 8.35 3.87 0.00 2.88 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 91 C 7.84 4.45 0.00 2.85 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 92 T 7.77 3.61 4.10 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 0.95 0.00 0.00 93 G 8.16 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.57 5.54 0.00 3.03 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 95 K 8.59 4.56 0.00 1.71 1.97 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.27 7.81 96 G 8.63 4.16 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 0.00 0.00 0.00 97 C 7.63 5.29 0.00 2.76 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 0.00 0.00 0.00 0.00 98 Y 9.00 4.86 0.00 3.08 3.10 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 99 Y 8.68 5.11 0.00 2.71 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 0.00 100 F 9.04 4.88 0.00 1.73 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 0.00 101 G 7.93 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 0.00 102 K 8.76 3.84 0.00 1.79 1.87 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.58 7.81 103 D 9.45 4.25 0.00 2.88 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 0.00 104 G 6.50 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 0.00 0.00 0.00 105 K 8.36 4.76 0.00 1.81 1.81 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.56 7.81 106 F 9.05 3.49 0.00 2.83 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 0.00 107 V 6.11 4.01 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 0.63 0.00 0.00 0.85 0.00 0.00 108 C 6.22 4.48 0.00 2.84 2.91 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 0.00 109 E 8.67 5.01 0.00 2.00 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 1.96 1.64 0.00 110 G 8.46 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.72 0.00 2.05 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 2.18 2.20 0.00 112 S 8.34 4.64 0.00 3.88 3.83 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 0.00 113 D 8.47 5.14 0.00 2.70 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 0.00 114 E 8.43 3.60 0.00 1.80 1.58 0.00 0.00 0.00 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 2.15 0.00 115 P 0.00 4.41 0.00 2.01 2.00 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 116 K 8.42 4.17 0.00 1.70 1.66 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.