NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 M 4.4505 8.1585 120.3293 55.6119 34.4605 177.4636 15 A 3.8050 7.9762 120.0017 54.2640 18.6012 177.8362 16 K 3.8999 8.7987 119.0011 59.5101 32.6998 177.1281 17 L 4.1109 7.9128 118.7511 58.2002 41.7457 179.2051 18 D 4.4289 8.2949 118.6960 57.1380 40.4685 178.3836 19 E 3.9416 8.1853 119.3048 59.4280 29.8164 178.6707 20 L 4.1797 7.9884 118.6680 57.4524 41.7239 179.2772 21 K 3.1906 8.5047 120.1433 59.2687 31.8411 178.8364 22 Q 4.0255 7.6997 116.9705 58.1766 28.6549 177.9073 23 K 4.2582 7.4300 117.3295 55.7386 32.7002 176.2973 24 L 4.7656 6.7944 119.2672 52.5885 44.5301 176.8791 25 T 4.1473 8.3288 111.4930 60.9375 71.0172 175.5948 26 A 3.9287 8.4542 123.4861 55.4903 18.2227 179.9955 27 K 4.0125 7.9852 117.3664 59.7562 32.2905 178.8756 28 Q 3.5972 7.8556 118.3054 58.7663 28.5041 178.8020 29 I 3.7522 7.8951 120.9480 64.4704 37.1906 178.0766 30 Q 4.1311 8.3740 120.1186 59.3239 28.8081 178.3440 31 A 4.2224 8.7064 121.7487 55.2546 18.5316 179.3764 32 A 3.8587 8.7107 119.5070 55.6872 18.4088 179.5024 33 Y 3.8643 8.1756 115.2062 60.9743 37.9334 178.6122 34 L 4.0357 8.3294 121.3399 58.1107 42.2404 179.0226 35 L 3.9938 8.1682 119.0311 57.8154 41.5377 179.7324 36 V 3.3094 7.5540 118.0521 65.9329 31.3872 177.8093 37 E 3.8956 8.2003 118.7087 59.4851 29.0643 178.8353 38 N 4.3199 8.0780 116.0753 56.2981 38.9729 175.9388 39 E 4.3978 7.4155 117.9172 57.0860 30.3965 176.8607 40 L 4.7642 8.0061 115.4865 54.3183 42.7493 175.8413 41 M 4.8922 8.0116 118.7639 53.1262 34.7567 175.1309 42 E 4.3444 8.7580 121.4584 55.7903 31.0544 174.5390 43 S 4.3727 8.2679 115.5110 59.2166 64.7667 174.5333 *46 E 4.3937 8.7837 120.0917 54.8121 31.8250 175.1829 47 E 4.7686 7.6771 115.2899 53.9260 33.4450 175.7205 48 K 4.2230 8.4261 120.7978 56.3041 32.8544 177.1709 49 R 4.3509 7.6061 120.4799 56.2261 30.8119 177.7515 50 T 4.3397 8.6568 112.3195 60.9439 71.2281 176.0273 51 Q 4.0319 8.5427 120.0000 59.4732 28.7110 179.1110 52 D 4.3394 8.0542 119.2095 57.3075 40.9177 178.5062 53 E 3.9929 8.2637 119.1821 59.6803 29.4256 179.3802 54 M 4.0918 8.2460 118.4930 58.2458 32.0294 178.5792 55 A 3.9434 8.2266 121.1704 55.2432 18.4341 179.2223 56 N 4.2359 8.2935 115.5143 56.8093 38.8108 176.7385 57 E 3.9865 8.1279 119.7860 59.1479 29.8281 178.3213 58 L 4.2939 8.0696 117.6151 54.7827 42.1607 176.8226 59 G 3.8796 7.8465 106.7540 46.6659 0.0000 173.2762 60 I 4.6169 7.6407 110.6021 57.4279 41.1157 175.1408 61 N 4.3833 7.8357 118.9868 53.3195 40.7845 175.6462 62 R 3.8356 8.5397 125.8033 60.2561 30.0878 179.0706 63 T 3.9243 7.7442 114.9796 66.5347 68.4310 176.7653 64 T 3.6106 7.4631 111.5109 64.3210 68.9527 176.2827 65 L 3.3805 7.1553 122.8469 57.4424 42.0627 178.7039 66 W 4.0668 7.9155 127.6049 60.5528 30.5478 177.6464 67 E 3.9248 8.3142 118.4081 59.2808 28.9625 179.4624 68 W 4.1651 7.9564 118.8321 59.9281 28.8144 178.8909 69 R 4.3090 7.9627 116.9491 58.7038 29.4958 178.2207 70 T 4.1498 7.2154 107.8388 62.1139 70.0438 175.9681 71 K 4.5990 8.1123 119.2227 55.5013 34.1393 176.3009 72 N 4.6695 7.5720 116.5582 52.3568 38.8602 175.1417 73 Q 4.0694 8.4607 128.2412 58.7676 28.9488 178.2324 74 D 4.3638 8.1518 119.7452 57.1287 40.8406 178.2894 75 F 4.1166 8.8265 121.3921 61.3785 39.4424 176.9857 76 I 3.5919 8.0273 119.1730 64.5112 37.0845 178.2686 77 A 3.9305 8.0867 121.2998 55.0035 18.1250 179.4752 78 F 4.0226 8.2330 119.1513 61.3166 39.4360 177.1772 79 K 3.3253 7.9313 119.5317 59.4534 31.8600 178.7910 80 S 3.9732 7.9361 115.3177 61.6163 62.7319 176.5820 81 E 3.8429 7.8021 120.8527 59.1618 29.1124 179.5612 82 V 3.2377 7.3458 118.2163 65.8025 31.4568 177.7237 83 A 3.8322 7.9265 120.8262 55.3767 18.0381 179.2744 84 D 4.2576 8.0686 117.1266 57.5619 40.8963 179.0526 85 S 4.0556 8.0019 113.4689 61.3992 62.1953 176.1230 86 F 3.9054 8.3374 119.3609 60.4736 39.0008 177.1434 87 L 4.0970 8.2803 119.7563 58.0894 41.5879 178.6842 88 A 3.9429 8.2995 121.1294 55.2584 18.0827 179.1125 89 E 3.9216 7.9146 116.1719 58.4525 29.9536 178.1852 90 K 4.2115 7.7291 117.1347 56.7484 32.0331 178.2055 91 R 3.5368 7.4376 121.2950 59.6569 29.8993 178.2038 92 E 3.9050 7.9195 116.2495 59.2889 29.4745 178.8958 93 Q 4.0046 8.0337 119.4179 58.6823 28.7197 178.6992 94 V 3.6320 7.5947 118.8232 66.3177 31.7251 177.5131 95 Y 4.4395 8.1231 116.6146 61.1796 37.6753 178.5971 96 S 4.1816 8.3735 114.1099 61.4689 62.5298 176.5053 97 K 4.0442 7.9346 121.2994 59.1075 31.8479 178.9078 98 L 4.0047 8.1632 120.7684 58.7831 41.9973 179.1255 99 M 4.1184 8.2850 118.3381 58.4627 31.9773 178.7598 100 Q 4.0236 8.2623 118.2488 59.0430 28.8748 178.9639 101 L 4.0672 8.1264 119.9703 57.7096 41.3882 179.6703 102 I 3.7283 7.5777 118.9981 63.9699 37.2112 177.7130 103 L 4.4789 7.9018 117.0586 54.5520 41.8652 177.0813 104 G 3.9447 7.6484 108.9800 43.7944 0.0000 172.7542 105 P 4.0514 0.0000 0.0000 64.6813 31.6334 176.7538 106 Q 4.6053 7.1257 117.4201 52.9161 28.5375 172.9434 107 P 4.3615 0.0000 0.0000 62.8406 32.5682 176.2778 108 S 4.5533 8.6483 118.2781 56.8051 62.5862 175.1393 109 V 3.6911 8.3493 129.3891 64.6542 31.1493 178.1116 110 K 3.9322 8.0512 119.7599 59.2932 32.0348 178.5134 111 A 4.0600 8.1900 121.1246 55.3192 18.3084 179.3891 112 M 4.0104 8.1709 117.2795 58.6129 32.0264 178.6650 113 Q 4.0147 8.4073 119.9305 59.2434 29.1408 178.4428 114 L 3.9647 7.9958 119.8749 57.9090 41.8422 178.6559 115 Y 3.9022 8.2590 119.6108 61.2511 38.6634 178.4081 116 M 4.3972 8.4111 119.3599 58.5213 32.0732 178.7813 117 Q 3.9640 8.6067 118.7413 58.8299 28.5936 178.6890 118 R 3.5268 7.7646 119.7438 58.7738 30.0326 177.0255 119 F 4.6116 7.3311 112.4627 56.4500 39.0326 175.6470 120 G 3.9402 7.6291 108.1814 46.8553 0.0000 175.0874 121 L 4.3578 8.1607 119.0073 54.6808 42.4527 177.0057 122 L 4.6714 7.7458 119.1244 53.1134 43.1850 175.6585 123 T 4.6219 8.4084 120.0151 61.6886 70.8281 173.2449 124 D 4.8895 8.5551 124.9689 52.3204 42.9091 175.5305 125 K 4.4709 8.5238 125.2111 54.7260 33.5533 175.5002 126 K 4.5302 8.4868 124.6111 54.4375 34.9909 175.5347 127 V 4.2586 8.4162 122.9424 61.1872 32.7361 174.5294 128 I 4.5322 8.1574 127.9409 59.8003 39.0714 174.9042 129 E 4.7117 8.6682 121.8918 55.4770 34.1035 174.1204 130 G 3.8581 8.5073 104.6823 44.9248 0.0000 174.7661 131 D 4.3105 8.2301 120.4537 52.7807 39.7940 175.6283 132 L 4.1765 8.4297 124.6072 56.0083 40.7435 177.0108 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 14 M 8.16 4.45 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 15 A 7.98 3.81 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 16 K 8.80 3.90 0.00 1.84 1.82 0.00 1.72 0.00 0.00 2.00 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 17 L 7.91 4.11 0.00 1.95 1.89 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.29 4.43 0.00 2.89 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 19 E 8.19 3.94 0.00 2.06 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 0.00 2.33 2.36 0.00 20 L 7.99 4.18 0.00 2.19 1.88 1.01 0.53 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 21 K 8.50 3.19 0.00 1.98 1.92 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.10 7.81 22 Q 7.70 4.03 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 23 K 7.43 4.26 0.00 1.75 1.93 0.00 1.63 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 24 L 6.79 4.77 0.00 1.31 1.32 0.60 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.33 4.15 4.17 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 0.00 0.00 0.00 1.09 0.00 0.00 26 A 8.45 3.93 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 27 K 7.99 4.01 0.00 1.99 1.95 0.00 1.74 0.00 0.00 2.03 0.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.95 1.91 7.81 28 Q 7.86 3.60 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.90 3.75 2.05 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.45 1.17 0.00 0.00 30 Q 8.37 4.13 0.00 2.23 2.44 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 2.49 2.49 0.00 31 A 8.71 4.22 1.90 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 32 A 8.71 3.86 1.24 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 33 Y 8.18 3.86 0.00 3.35 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 34 L 8.33 4.04 0.00 2.00 1.95 1.02 0.61 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 35 L 8.17 3.99 0.00 1.87 1.70 1.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.55 3.31 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 0.03 0.00 0.00 0.62 0.00 0.00 37 E 8.20 3.90 0.00 2.26 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 2.67 2.50 0.00 38 N 8.08 4.32 0.00 2.89 2.98 0.00 0.00 7.21 6.95 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 39 E 7.42 4.40 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 2.24 2.43 0.00 40 L 8.01 4.76 0.00 1.62 1.77 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.01 4.89 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.09 0.00 42 E 8.76 4.34 0.00 2.09 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 2.25 0.00 43 S 8.27 4.37 0.00 3.95 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 *46 E 8.78 4.39 0.00 1.96 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 2.20 2.41 0.00 47 E 7.68 4.77 0.00 1.94 1.78 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 2.20 2.25 0.00 48 K 8.43 4.22 0.00 1.75 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.47 7.81 49 R 7.61 4.35 0.00 1.99 1.87 0.00 3.18 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 50 T 8.66 4.34 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 51 Q 8.54 4.03 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 52 D 8.05 4.34 0.00 2.68 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 53 E 8.26 3.99 0.00 2.29 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 2.34 2.36 0.00 54 M 8.25 4.09 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 55 A 8.23 3.94 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 56 N 8.29 4.24 0.00 2.88 2.97 0.00 0.00 6.88 7.21 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 57 E 8.13 3.99 0.00 2.19 2.14 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 2.36 2.38 0.00 58 L 8.07 4.29 0.00 1.85 1.79 1.07 0.92 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 59 G 7.85 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 0.00 0.00 0.00 60 I 7.64 4.62 1.58 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.92 0.00 0.00 61 N 7.84 4.38 0.00 2.71 2.68 0.00 0.00 7.17 7.53 0.00 0.00 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 R 8.54 3.84 0.00 1.83 1.87 0.00 3.33 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 63 T 7.74 3.92 4.17 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 0.00 0.00 0.00 1.14 0.00 0.00 64 T 7.46 3.61 3.53 0.00 0.00 0.00 0.00 0.00 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 65 L 7.16 3.38 0.00 1.52 1.76 0.97 1.34 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 66 W 7.92 4.07 0.00 3.41 3.30 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 67 E 8.31 3.92 0.00 2.17 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 2.85 2.59 0.00 68 W 7.96 4.17 0.00 2.84 1.74 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 69 R 7.96 4.31 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 70 T 7.22 4.15 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 -0.30 0.00 0.00 71 K 8.11 4.60 0.00 1.78 1.88 0.00 1.99 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.32 1.21 7.81 72 N 7.57 4.67 0.00 2.84 2.98 0.00 0.00 7.03 7.03 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 73 Q 8.46 4.07 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 74 D 8.15 4.36 0.00 2.86 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 75 F 8.83 4.12 0.00 2.99 3.26 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 76 I 8.03 3.59 2.02 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 0.76 0.88 0.00 0.00 77 A 8.09 3.93 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 78 F 8.23 4.02 0.00 3.01 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 79 K 7.93 3.33 0.00 1.15 1.51 0.00 1.57 0.00 0.00 1.36 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.13 7.81 80 S 7.94 3.97 0.00 3.93 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 81 E 7.80 3.84 0.00 1.93 1.81 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 2.37 2.41 0.00 82 V 7.35 3.24 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.54 0.00 0.00 83 A 7.93 3.83 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 84 D 8.07 4.26 0.00 2.86 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 85 S 8.00 4.06 0.00 3.90 4.07 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 86 F 8.34 3.91 0.00 3.05 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 87 L 8.28 4.10 0.00 1.85 1.81 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.30 3.94 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 89 E 7.91 3.92 0.00 1.99 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 2.22 2.34 0.00 90 K 7.73 4.21 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.59 7.81 91 R 7.44 3.54 0.00 1.78 1.65 0.00 2.88 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 92 E 7.92 3.90 0.00 2.23 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 0.00 2.34 2.34 0.00 93 Q 8.03 4.00 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 94 V 7.59 3.63 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 1.13 0.00 0.00 0.95 0.00 0.00 95 Y 8.12 4.44 0.00 3.17 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 96 S 8.37 4.18 0.00 4.04 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 97 K 7.93 4.04 0.00 1.94 1.87 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.61 7.81 98 L 8.16 4.00 0.00 1.87 1.98 0.99 0.95 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 99 M 8.29 4.12 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.93 0.00 100 Q 8.26 4.02 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 101 L 8.13 4.07 0.00 1.88 1.73 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.58 3.73 1.96 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 1.51 0.60 0.82 0.00 0.00 103 L 7.90 4.48 0.00 1.65 1.69 0.90 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 0.00 104 G 7.65 3.94 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 0.00 105 P 0.00 4.05 0.00 2.19 2.20 0.00 3.71 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 1.99 1.99 0.00 106 Q 7.13 4.61 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 107 P 0.00 4.36 0.00 2.02 2.18 0.00 3.66 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 2.02 2.23 0.00 108 S 8.65 4.55 0.00 3.87 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 0.00 109 V 8.35 3.69 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 0.93 0.00 0.00 0.94 0.00 0.00 110 K 8.05 3.93 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.52 1.46 7.81 111 A 8.19 4.06 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 0.00 0.00 0.00 0.00 0.00 112 M 8.17 4.01 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 113 Q 8.41 4.01 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 114 L 8.00 3.96 0.00 1.97 1.71 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.26 3.90 0.00 3.14 3.19 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 0.00 116 M 8.41 4.40 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.75 0.00 117 Q 8.61 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 118 R 7.76 3.53 0.00 1.37 1.38 0.00 2.93 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 119 F 7.33 4.61 0.00 3.09 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 0.00 120 G 7.63 3.94 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 0.00 121 L 8.16 4.36 0.00 1.79 1.78 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.75 4.67 0.00 1.63 1.60 0.94 0.86 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 0.00 123 T 8.41 4.62 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 0.00 124 D 8.56 4.89 0.00 2.64 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 0.00 125 K 8.52 4.47 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 126 K 8.49 4.53 0.00 1.73 1.66 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 127 V 8.42 4.26 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 0.00 128 I 8.16 4.53 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 1.41 1.01 0.91 0.00 0.00 129 E 8.67 4.71 0.00 1.89 1.78 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 2.21 2.30 0.00 130 G 8.51 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 0.00 131 D 8.23 4.31 0.00 2.74 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 0.00 132 L 8.43 4.18 0.00 1.77 1.69 0.92 0.60 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 * Residues marked with a * may have inaccurate shift predictions.