NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.5745 33.5435 175.8530 *2 H 4.4019 8.3024 116.2513 53.7829 29.9787 171.4049 *3 A 4.1825 8.4258 124.8801 52.5898 20.9163 177.1155 *4 L 4.1483 8.1792 120.3049 54.7511 42.9660 177.7742 *5 V 3.9936 8.0492 118.6872 61.3000 33.5446 175.9786 *6 Q 4.2136 8.3392 121.0617 55.3936 29.9370 175.6508 *7 L 4.2136 8.1792 120.8462 54.7415 42.9307 177.4765 *8 R 4.2413 8.1959 117.5459 55.9559 31.3211 175.5616 *9 G 3.7995 8.3492 109.7858 46.0366 0.0000 174.4087 *10 E 4.1319 8.4392 118.5544 56.3944 31.7212 176.6385 *11 V 3.9936 8.0492 118.8637 61.2703 33.6700 175.7094 *12 N 4.6136 8.4192 119.7325 52.9777 39.4273 174.7705 *13 M 4.3536 8.2992 119.1461 55.2635 33.4449 175.6800 *14 H 4.6036 8.4392 118.2565 55.2620 30.1272 173.8964 *15 T 4.2236 8.1692 114.4708 61.3157 70.2767 174.0930 *16 D 4.5136 8.3592 123.0880 53.6872 41.8155 176.0239 *17 I 4.0436 8.0192 119.8166 60.3991 37.4536 176.0786 *18 Q 4.2136 8.3392 121.5980 55.5195 29.9249 175.3930 *19 D 4.5136 8.3592 119.6343 53.9424 41.8294 176.0964 *20 T 4.2236 8.1692 114.1853 61.1898 70.4469 174.3508 *21 L 4.2136 8.1792 124.2999 54.7188 42.9168 177.1087 *22 E 4.2236 8.4392 117.5323 56.5907 31.6411 176.1705 *23 M 4.3536 8.2992 119.7486 54.9078 33.4162 175.9508 *24 L 4.2136 8.1792 121.6490 54.7518 43.0668 177.0094 *25 N 4.6136 8.4192 118.5685 52.7696 39.5235 174.9239 *26 I 4.0436 8.0192 118.9024 60.6273 37.5443 175.7800 *27 H 4.6036 8.4392 119.8532 55.2772 29.7824 173.4800 *28 H 4.6036 8.4392 118.9266 55.0185 29.7841 174.1721 *29 V 3.9936 8.0492 119.4609 61.2703 33.4379 175.7094 *30 N 4.6136 8.4192 119.7325 53.0399 39.4273 174.5800 *31 H 4.6036 8.4392 117.7269 55.1516 30.0449 173.5530 *32 C 4.4236 8.3392 119.1761 58.5127 29.7175 174.3964 *33 T 4.2236 8.1692 114.7073 61.1898 70.0306 174.3508 *34 L 4.2136 8.1792 124.2999 54.7511 42.9168 177.6721 *35 V 3.9936 8.0492 118.6872 60.7337 33.5446 174.2159 *36 P 4.2936 0.0000 0.0000 62.5053 32.5854 176.8087 *37 E 4.2236 8.4392 117.1635 56.6378 31.6147 176.3964 *38 T 4.2236 8.1692 113.8736 61.3157 70.5088 174.0930 *39 D 4.4908 8.2576 120.4033 52.9523 41.8155 175.1736 *40 A 4.1825 8.2592 124.8491 52.8396 20.1555 177.0690 *41 Y 4.3583 8.1392 118.6910 57.2666 38.9247 175.8786 *42 R 4.2413 8.1959 118.7064 55.9559 31.4899 175.5616 *43 G 3.7995 8.3492 109.7858 46.2653 0.0000 174.4705 *44 M 4.2619 8.2992 120.5942 55.0049 33.3709 176.3385 *45 V 3.9708 7.9476 116.1061 60.5230 33.7811 175.1736 *46 A 4.1825 8.2592 125.5250 52.5508 19.9957 177.6101 *47 K 4.1283 8.3092 121.6788 55.0609 33.7625 176.7742 *48 V 3.9936 8.0492 118.9238 61.2703 33.5261 175.7094 *49 N 4.6136 8.4192 119.7325 52.8101 39.4273 174.5930 *50 D 4.5136 8.3592 119.9075 53.6585 41.8832 175.9724 *51 F 4.4936 8.3192 120.2747 57.1574 39.9841 175.8721 *52 V 3.9708 7.9476 117.9602 60.5230 33.4049 175.1736 *53 A 4.1825 8.2592 125.5250 52.6465 19.9957 177.4724 *54 F 4.4560 8.2659 116.2402 56.4154 40.0563 175.1637 *55 G 3.7995 8.3492 112.4729 46.0366 0.0000 174.4087 *56 E 4.1319 8.4392 118.5544 55.8584 31.7212 174.4824 *57 P 4.2936 0.0000 0.0000 62.5832 32.8071 177.1435 *58 S 4.3436 8.3292 117.5092 58.6150 64.1826 174.2786 *59 Q 4.2136 8.3392 121.5655 55.4583 29.8375 175.5087 *60 E 4.2236 8.4392 116.8332 56.6378 31.7416 176.3964 *61 T 4.2236 8.1692 113.8736 61.1898 70.5088 174.3508 *62 L 4.2136 8.1792 124.2999 54.7188 42.9168 177.1087 *63 E 4.2236 8.4392 117.5323 56.6378 31.6411 176.3964 *64 T 4.2236 8.1692 113.8736 61.2869 70.5088 174.7720 *65 V 3.9936 8.0492 121.4418 61.1725 33.6311 175.9508 *66 L 4.1908 8.0776 120.0247 54.0045 42.7340 176.4736 *67 A 4.1825 8.2592 124.3609 52.9303 20.0919 177.5964 *68 T 4.1583 8.1692 112.4566 61.2772 70.5191 174.6786 *69 R 4.1908 8.1476 119.9216 55.9513 31.4076 175.1736 *70 A 4.1825 8.2592 123.6315 52.6545 20.1513 177.3087 *71 E 4.1583 8.4392 116.2918 55.8584 31.7768 174.6180 *72 P 4.2936 0.0000 0.0000 62.4406 32.8071 176.9508 *73 L 4.2136 8.1792 121.1765 54.7188 42.8039 177.1087 *74 E 4.2513 8.3859 115.2265 55.6523 31.6411 175.8616 *75 G 3.7995 8.3492 110.6917 46.0978 0.0000 174.2930 *76 D 4.3991 8.2576 118.6708 52.9523 41.8091 175.1400 *77 A 4.1825 8.2592 124.8491 52.7157 20.1555 177.1930 *78 D 4.4483 8.3592 119.0930 53.6989 41.8647 176.4742 *79 V 3.9936 8.0492 119.1754 61.2984 33.6081 175.6930 *80 D 4.5136 8.3592 121.4975 53.7277 41.6327 175.6930 *81 D 4.5136 8.3592 120.8217 53.6665 41.7925 175.8087 *82 E 4.2236 8.4392 118.0205 56.1273 31.7046 176.2994 *83 W 4.5336 8.2692 122.2850 56.7105 30.3296 176.1721 *84 V 3.9708 7.9476 115.7712 60.5230 33.0455 175.1736 *85 A 4.1825 8.2592 125.5250 52.6545 19.9957 177.3087 *86 E 4.1583 8.4392 116.2918 56.6530 31.7768 176.0821 *87 H 4.6036 8.4392 118.3294 55.2620 30.0162 173.8964 *88 T 4.2236 8.1692 114.4708 61.3157 70.2767 174.0930 *89 D 4.5136 8.3592 123.0880 53.8517 41.8155 175.5690 *90 Y 4.4236 8.1392 120.4197 57.3051 38.8525 175.2930 *91 D 4.5136 8.3592 121.4939 53.7277 41.8978 175.6930 *92 D 4.5136 8.3592 120.8217 53.6872 41.7925 176.0239 *93 I 4.0436 8.0192 119.8166 60.4141 37.4536 176.2435 *94 S 4.3713 8.2759 117.2726 57.8426 64.1006 173.8616 *95 G 3.7995 8.3492 112.1831 45.9719 0.0000 174.5508 *96 L 4.0991 8.0776 119.8827 54.0045 42.9104 176.4400 *97 A 4.1825 8.2592 124.3609 52.6465 20.0919 177.4724 *98 F 4.4054 8.2176 115.8613 56.4108 40.0563 174.7757 *99 A 4.1825 8.2592 126.3186 52.5898 19.9523 177.4508 *100 L 4.1483 8.1792 120.3049 54.6540 42.9660 177.3529 *101 L 4.2136 8.1792 121.5453 54.7966 42.8302 177.4435 *102 S 4.3436 8.3292 117.8780 58.5522 64.2089 174.1087 *103 E 4.2236 8.4392 119.2002 56.3620 31.4453 176.1087 *104 E 4.2236 8.4392 117.7088 56.6378 31.7665 176.3964 *105 T 4.2236 8.1692 113.8736 61.5303 70.5088 174.4964 *106 T 4.2236 8.1692 116.4517 61.1898 70.4698 174.3508 *107 L 4.2136 8.1792 124.2999 54.7415 42.9168 177.4765 *108 R 4.2136 8.2492 119.8517 56.6656 31.3211 175.8087 *109 E 4.2236 8.4392 116.8029 56.4248 31.7004 176.2786 *110 Q 4.2413 8.2859 117.7683 54.7487 30.1587 175.2616 *111 G 3.7995 8.3492 109.8161 45.9719 0.0000 174.5508 *112 L 4.1219 8.1792 122.5674 54.7966 42.9104 177.4099 *113 S 4.3436 8.3292 117.8780 58.0486 64.2089 172.5159 *114 P 4.2936 0.0000 0.0000 62.7811 32.4859 177.0964 *115 T 4.2236 8.1692 113.3282 61.1898 70.3570 174.3508 *116 L 4.2136 8.1792 124.2999 54.7415 42.9168 177.4765 *117 R 4.2136 8.2492 119.8517 56.6009 31.3211 175.9508 *118 L 4.2136 8.1792 120.8159 55.0098 42.8896 176.9800 *119 H 4.6036 8.4392 118.1529 54.4826 29.8907 172.0159 *120 P 4.2936 0.0000 0.0000 62.0017 32.5750 175.2159 *121 P 4.2936 0.0000 0.0000 62.5280 32.6553 177.1765 *122 R 4.2413 8.1959 117.1771 55.9559 31.2947 175.5616 *123 G 3.8272 8.2959 107.4800 45.3270 0.0000 174.1616 *124 G 3.7078 8.3492 111.5373 46.3276 0.0000 174.2464 *125 H 4.5119 8.4392 119.1749 55.0473 29.9709 173.4595 *126 D 4.5413 8.3059 118.8013 52.9569 41.6223 175.5616 *127 G 3.7995 8.3492 111.0034 46.0690 0.0000 174.9720 *128 V 3.9019 8.0492 119.7093 61.1335 33.6247 176.0766 *129 K 4.1936 8.3092 124.0833 55.3195 33.5305 175.9800 *130 H 4.6036 8.4392 118.3895 54.4826 29.8723 172.0159 *131 P 4.2936 0.0000 0.0000 62.5377 32.5750 177.3721 *132 V 3.9936 8.0492 118.3184 61.1335 33.5182 176.1101 *133 K 4.1936 8.3092 124.0833 55.0285 33.5305 176.1087 *134 E 4.2513 8.3859 115.4631 55.6523 31.6226 175.8616 *135 G 3.8272 8.2959 108.3859 45.3270 0.0000 174.1616 *136 G 3.7078 8.3492 111.5373 46.0994 0.0000 174.5450 *137 Q 4.1219 8.3392 120.9197 55.3936 30.1134 175.6173 *138 L 4.2413 8.1259 118.5404 54.0091 42.9307 176.8616 *139 G 3.7995 8.3492 110.5152 45.9329 0.0000 174.7101 *140 K 4.1019 8.3092 123.9413 55.3195 33.7069 175.9464 *141 H 4.6036 8.4392 118.3895 55.0473 29.8723 173.4930 *142 D 4.5136 8.3592 121.1071 53.9424 41.6223 176.0964 *143 T 4.2236 8.1692 114.1853 61.2545 70.4469 174.2087 *144 E 4.2513 8.3859 117.9811 55.6523 31.7276 175.8616 *145 G 3.7995 8.3492 110.6917 46.0573 0.0000 174.6239 *146 I 3.9519 8.0192 120.3505 60.3974 37.4702 175.7595 *147 D 4.5136 8.3592 122.0338 53.7277 41.6206 175.6930 *148 D 4.5136 8.3592 120.8217 53.6018 41.7925 175.9508 *149 L 4.2136 8.1792 122.0336 54.6540 42.8938 177.2508 *150 L 4.2136 8.1792 121.5453 54.7188 42.8302 177.1087 *151 E 4.2008 8.3376 114.8476 55.6478 31.6411 175.4736 *152 A 4.1825 8.2592 124.5374 52.8833 20.2174 177.3705 *153 M 4.2883 8.2992 118.3316 54.9952 33.4265 176.2786 *154 R 4.2136 8.2492 119.9554 56.5293 30.2762 175.1053 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 M 8.40 4.29 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *2 H 8.30 4.40 0.00 2.75 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 A 8.43 4.18 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 *4 L 8.18 4.15 0.00 1.42 1.50 0.92 0.85 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 *5 V 8.05 3.99 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 *6 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *7 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *8 R 8.20 4.24 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *9 G 8.35 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 0.00 0.00 0.00 *10 E 8.44 4.13 0.00 1.75 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 2.13 2.37 0.00 *11 V 8.05 3.99 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 *12 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *13 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *14 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 T 8.17 4.22 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 *16 D 8.36 4.51 0.00 2.44 2.51 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 *17 I 8.02 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 1.27 0.97 0.91 0.00 0.00 *18 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *19 D 8.36 4.51 0.00 2.44 2.51 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 *20 T 8.17 4.22 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 *21 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *22 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *23 M 8.30 4.35 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *24 L 8.18 4.21 0.00 1.40 1.51 0.92 0.96 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 *25 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 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 *26 I 8.02 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 1.27 0.97 0.91 0.00 0.00 *27 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 V 8.05 3.99 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 *30 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.90 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 *31 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 C 8.34 4.42 0.00 2.69 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 *33 T 8.17 4.22 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 *34 L 8.18 4.21 0.00 1.40 1.51 0.92 0.85 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 *35 V 8.05 3.99 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 *36 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *37 E 8.44 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 *38 T 8.17 4.22 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 *39 D 8.26 4.49 0.00 2.44 2.51 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 *40 A 8.26 4.18 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 *41 Y 8.14 4.36 0.00 2.09 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 0.00 0.00 0.00 0.00 *42 R 8.20 4.24 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *43 G 8.35 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 0.00 0.00 0.00 *44 M 8.30 4.26 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *45 V 7.95 3.97 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 *46 A 8.26 4.18 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 *47 K 8.31 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *48 V 8.05 3.99 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 *49 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 8.06 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 *50 D 8.36 4.51 0.00 2.44 2.51 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 *51 F 8.32 4.49 0.00 2.04 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 0.00 0.00 0.00 *52 V 7.95 3.97 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 *53 A 8.26 4.18 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 *54 F 8.27 4.46 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 *129 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *130 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *131 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *132 V 8.05 3.99 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 *133 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *134 E 8.39 4.25 0.00 1.73 1.79 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 2.13 2.38 0.00 *135 G 8.30 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 0.00 0.00 0.00 *136 G 8.35 3.71 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 0.00 *137 Q 8.34 4.12 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *138 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 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 *139 G 8.35 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 0.00 0.00 0.00 *140 K 8.31 4.10 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *141 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 D 8.36 4.51 0.00 2.44 2.51 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 *143 T 8.17 4.22 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 *144 E 8.39 4.25 0.00 1.73 1.79 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 2.13 2.38 0.00 *145 G 8.35 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 0.00 0.00 0.00 *146 I 8.02 3.95 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 1.27 0.60 0.91 0.00 0.00 *147 D 8.36 4.51 0.00 2.44 2.51 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 *148 D 8.36 4.51 0.00 2.44 2.51 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 *149 L 8.18 4.21 0.00 1.40 1.51 0.92 0.89 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 *150 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 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 *151 E 8.34 4.20 0.00 1.73 1.79 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 2.13 2.38 0.00 *152 A 8.26 4.18 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 *153 M 8.30 4.29 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *154 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.