NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0588 8.3544 108.0301 46.4200 0.0000 173.1956 2 I 3.7695 8.5304 121.8403 59.9354 38.9877 173.7170 3 D 4.6815 8.5659 128.4423 53.3780 41.9615 174.7020 4 P 4.4683 0.0000 0.0000 64.9091 31.6921 176.5943 5 N 4.8074 8.9856 117.1238 53.1781 39.1305 175.9008 6 Y 4.1710 8.0113 121.0455 60.7451 37.3450 178.9420 7 R 3.5748 6.9135 118.1559 58.1379 30.1305 177.8568 8 T 4.4031 7.5396 107.4962 62.9786 70.1905 176.0520 9 N 4.5432 8.3983 118.6813 54.1374 38.8767 175.2751 10 R 4.7903 7.5406 117.9899 54.3225 33.1103 175.2485 11 Q 4.5327 8.3028 118.4686 55.1128 30.6821 175.2101 12 V 3.9441 8.2192 123.0012 62.7646 31.7933 175.9001 13 V 4.3223 8.4992 119.7007 61.5524 34.2902 175.1466 14 G 4.0866 7.2612 105.2947 45.7687 0.0000 171.4877 15 E 5.1491 8.5796 119.1922 54.8783 33.3210 175.4331 16 H 4.5719 9.3000 124.8706 55.9279 32.5301 173.4898 17 S 3.6935 9.8097 123.2835 59.5060 60.2478 173.5103 18 G 3.9718 9.1663 109.5814 45.0927 0.0000 173.8696 19 H 5.0196 7.6991 114.6975 53.1543 31.5152 173.4672 20 K 4.5563 8.3181 119.4613 56.3540 33.7204 175.9583 21 V 4.7485 8.4153 122.1572 61.4105 34.6181 173.7365 22 Y 4.8032 9.2179 126.2277 56.7657 39.8078 176.3690 23 G 4.3935 8.9330 112.4653 44.6069 0.0000 171.5567 24 P 4.5462 0.0000 0.0000 62.4291 31.8649 176.5380 25 V 4.5264 8.1258 119.5679 61.5267 33.4935 175.5246 26 E 4.6328 9.0892 127.4115 53.4197 30.4900 173.4077 27 P 4.4115 0.0000 0.0000 62.1805 32.7267 175.2973 28 P 4.5110 0.0000 0.0000 61.7200 30.8251 177.0524 *30 V 4.0444 7.2949 117.4179 63.9121 32.0702 174.8503 31 L 4.7191 9.2938 127.0468 53.5335 43.6446 178.8764 32 G 3.8764 8.3205 108.0764 45.2448 0.0000 171.8792 33 I 4.5995 7.7881 119.7914 59.7009 39.3297 174.1768 34 H 4.8200 8.4270 122.4197 54.9175 30.2365 174.9514 35 G 4.7161 8.7198 111.0456 46.7601 0.0000 172.6927 36 T 4.6117 8.8487 115.7888 65.2745 70.9176 176.2636 37 I 4.1771 8.1304 121.1797 63.2915 38.6633 175.6833 38 V 4.5832 8.1593 125.1463 61.0567 33.3798 173.7045 39 G 4.6974 9.3966 116.0967 43.9065 0.0000 170.8664 40 V 4.8405 8.5587 125.1096 60.9412 34.4901 174.1027 41 D 4.7467 9.1484 129.2938 53.6772 40.8008 176.6244 42 F 4.4876 9.1671 126.6280 60.4983 39.0122 176.8621 43 D 4.6996 8.6091 117.2596 55.7301 41.0806 176.9617 44 L 4.4706 7.7881 117.7703 55.8200 43.2600 176.8887 45 C 4.0111 8.1149 118.6244 60.1115 31.6416 173.1453 46 I 4.4437 8.2918 118.1332 59.9712 37.6666 174.9057 47 A 4.0625 8.1066 121.0657 53.8074 15.7245 179.2023 48 D 4.3560 8.4305 121.4326 57.4047 41.8365 177.2767 49 G 4.0765 8.4223 105.6663 45.7342 0.0000 175.0226 50 S 4.1339 8.4166 117.3089 61.2483 62.6077 176.1593 51 C 3.8885 7.7542 116.8295 61.5587 29.0203 176.0049 52 I 3.5856 7.1232 121.0040 63.6509 36.7489 177.5701 53 N 4.4217 8.1008 116.4603 55.5959 38.7949 175.8073 54 A 4.6261 7.4634 120.7830 52.2184 20.3410 176.5953 55 C 4.1157 7.8747 118.3643 59.2147 31.6160 171.7840 56 P 4.4725 0.0000 0.0000 64.3584 31.5227 177.1866 57 V 4.1871 7.5731 111.3088 60.5050 32.5362 175.5058 58 N 4.1185 8.1478 114.4320 54.6122 35.7751 174.4872 59 V 3.5914 7.2238 119.1846 64.8339 33.2608 176.5692 60 F 6.0476 8.0896 116.9818 55.2764 41.4108 175.2166 61 Q 4.6115 8.2611 117.1864 54.3797 32.2682 173.8236 62 W 5.0904 8.7367 120.4928 57.0410 30.2844 175.1708 63 Y 4.9881 9.2654 124.6228 55.8701 41.4294 174.0857 64 D 4.7181 8.5535 127.1435 54.3281 41.9923 177.0574 65 T 4.5683 8.3902 112.8530 58.9363 68.5229 170.7733 66 P 4.5408 0.0000 0.0000 64.9408 32.2225 177.8201 67 G 3.9490 9.2772 111.2696 45.2541 0.0000 173.0139 68 H 4.5363 7.9281 120.5239 54.7645 30.6160 174.2500 69 P 4.4560 0.0000 0.0000 65.4489 31.6036 177.5461 70 A 4.1508 8.1137 121.5260 54.4415 18.7002 177.0571 71 S 4.5282 7.0376 105.7629 58.4054 65.8549 175.8545 72 E 5.1098 8.0184 118.4769 55.2758 30.4405 175.2480 73 K 4.9008 7.5346 119.4531 55.1232 35.4581 175.1821 74 K 4.7702 9.1666 123.6440 54.5559 37.0020 175.6420 75 A 4.4029 8.5800 124.8184 51.4448 19.0006 176.2070 76 D 5.1025 9.2296 123.5524 52.3244 43.1957 175.7228 77 P 4.7232 0.0000 0.0000 62.0214 29.0242 177.8140 78 V 3.6661 7.8410 120.7187 65.1524 31.9844 177.3772 79 N 4.9658 8.0329 118.4384 51.5284 39.2256 176.3693 80 E 3.7189 7.9372 118.4449 59.6829 29.7018 178.9573 81 Q 4.1315 7.9162 115.3878 57.0829 28.9640 176.3326 82 A 4.1440 7.8013 120.5912 52.6332 19.1978 177.3622 83 C 3.5787 7.2678 116.2610 59.9979 31.6393 173.3729 84 I 3.9063 7.9263 118.7183 59.7682 37.9784 175.6679 85 F 3.8710 6.9449 116.6684 59.5121 36.1638 175.5403 86 C 4.2060 7.6907 118.5953 60.9962 28.9305 176.0170 87 M 3.1563 8.3755 116.4381 56.1181 29.5403 178.2810 88 A 4.0409 7.7568 122.0348 55.3624 18.6055 179.9846 89 C 3.9956 8.1502 112.6260 61.6822 29.3468 175.9398 90 V 3.6107 7.8589 119.1564 65.7828 31.1163 177.0497 91 N 4.5930 7.6724 114.5589 55.4068 38.7536 177.4040 92 V 3.9851 7.9735 113.1498 62.1383 32.2303 176.0733 93 C 4.1715 7.6773 120.4514 58.4660 31.4900 172.5136 94 P 4.3331 0.0000 0.0000 65.0955 30.9349 177.3690 95 V 4.1031 7.8303 110.4045 59.9511 32.6335 175.1710 96 A 3.6304 7.6911 121.9800 53.3069 16.3466 178.2072 97 A 4.5046 7.6766 120.9592 52.7182 20.6310 178.2635 98 I 5.0450 7.6391 116.0185 59.3574 40.0254 174.7374 99 D 4.8296 9.3216 125.4268 52.5735 44.5269 173.9515 100 V 4.9444 8.6698 125.6261 61.0428 33.3584 174.4394 101 K 4.4874 9.3863 129.3716 53.7494 34.5865 173.6477 102 P 4.1207 0.0000 0.0000 61.6287 31.8549 174.9489 103 P 4.3985 0.0000 0.0000 63.1183 31.1952 176.1216 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 G 8.35 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 2 I 8.53 3.77 1.98 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.98 0.00 0.00 3 D 8.57 4.68 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.22 2.19 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 5 N 8.99 4.81 0.00 3.03 2.81 0.00 0.00 6.56 7.51 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 6 Y 8.01 4.17 0.00 3.10 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 6.91 3.57 0.00 1.43 1.82 0.00 2.79 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 8 T 7.54 4.40 4.23 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 1.17 0.00 0.00 9 N 8.40 4.54 0.00 2.90 2.96 0.00 0.00 6.87 8.44 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 10 R 7.54 4.79 0.00 2.17 2.13 0.00 3.30 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 11 Q 8.30 4.53 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 12 V 8.22 3.94 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 0.53 0.00 0.00 0.36 0.00 0.00 13 V 8.50 4.32 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 0.79 0.00 0.00 0.96 0.00 0.00 14 G 7.26 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 15 E 8.58 5.15 0.00 1.85 1.70 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 2.26 2.17 0.00 16 H 9.30 4.57 0.00 2.98 2.90 0.00 5.79 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.81 3.69 0.00 3.71 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 0.00 18 G 9.17 3.97 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 0.00 0.00 0.00 19 H 7.70 5.02 0.00 3.28 3.51 0.00 5.27 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.32 4.56 0.00 1.68 1.35 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 21 V 8.42 4.75 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 1.02 0.00 0.00 0.61 0.00 0.00 22 Y 9.22 4.80 0.00 3.02 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 23 G 8.93 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 0.00 0.00 0.00 0.00 24 P 0.00 4.55 0.00 2.09 2.02 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 25 V 8.13 4.53 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 0.90 0.00 0.00 1.00 0.00 0.00 26 E 9.09 4.63 0.00 1.91 1.84 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 2.26 2.42 0.00 27 P 0.00 4.41 0.00 2.07 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 28 P 0.00 4.51 0.00 2.18 2.11 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 *30 V 7.29 4.04 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 1.13 0.00 0.00 0.96 0.00 0.00 31 L 9.29 4.72 0.00 1.87 1.97 1.05 1.16 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 32 G 8.32 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 33 I 7.79 4.60 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 1.03 0.66 0.23 0.00 0.00 34 H 8.43 4.82 0.00 2.55 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.72 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.85 4.61 4.35 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 1.29 0.00 0.00 37 I 8.13 4.18 1.92 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 1.30 1.32 1.14 0.00 0.00 38 V 8.16 4.58 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 0.99 0.00 0.00 0.84 0.00 0.00 39 G 9.40 4.70 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 40 V 8.56 4.84 2.32 0.00 0.00 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 1.23 0.00 0.00 41 D 9.15 4.75 0.00 2.66 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 42 F 9.17 4.49 0.00 3.07 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 43 D 8.61 4.70 0.00 2.93 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 44 L 7.79 4.47 0.00 1.76 1.72 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.11 4.01 0.00 2.97 2.86 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 46 I 8.29 4.44 1.87 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 1.36 0.86 0.96 0.00 0.00 47 A 8.11 4.06 1.33 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 48 D 8.43 4.36 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 0.00 0.00 0.00 0.00 50 S 8.42 4.13 0.00 3.84 3.89 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 51 C 7.75 3.89 0.00 2.26 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 52 I 7.12 3.59 1.68 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.16 0.77 0.00 0.00 53 N 8.10 4.42 0.00 2.80 3.03 0.00 0.00 7.09 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.46 4.63 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 55 C 7.87 4.12 0.00 3.27 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 56 P 0.00 4.47 0.00 2.20 2.15 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 57 V 7.57 4.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.88 0.00 0.00 58 N 8.15 4.12 0.00 2.78 2.80 0.00 0.00 7.05 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 59 V 7.22 3.59 1.33 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 0.12 0.00 0.00 0.70 0.00 0.00 60 F 8.09 6.05 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 4.61 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 62 W 8.74 5.09 0.00 3.27 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 63 Y 9.27 4.99 0.00 3.13 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 64 D 8.55 4.72 0.00 2.40 2.41 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 65 T 8.39 4.57 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 0.99 0.00 0.00 66 P 0.00 4.54 0.00 2.16 2.04 0.00 3.59 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 1.94 1.90 0.00 67 G 9.28 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 0.00 0.00 0.00 68 H 7.93 4.54 0.00 3.23 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.46 0.00 2.16 2.11 0.00 3.31 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 70 A 8.11 4.15 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 71 S 7.04 4.53 0.00 3.87 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 72 E 8.02 5.11 0.00 1.83 1.88 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 2.27 2.06 0.00 73 K 7.53 4.90 0.00 1.42 1.24 0.00 0.98 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.37 7.81 74 K 9.17 4.77 0.00 0.87 0.75 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.92 0.40 7.81 75 A 8.58 4.40 0.78 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 0.00 0.00 76 D 9.23 5.10 0.00 3.07 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 77 P 0.00 4.72 0.00 2.01 2.17 0.00 3.86 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.19 0.00 78 V 7.84 3.67 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 0.76 0.00 0.00 0.91 0.00 0.00 79 N 8.03 4.97 0.00 2.76 2.71 0.00 0.00 6.74 8.17 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 80 E 7.94 3.72 0.00 2.12 2.23 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 2.28 2.29 0.00 81 Q 7.92 4.13 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 82 A 7.80 4.14 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 83 C 7.27 3.58 0.00 2.78 2.40 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 84 I 7.93 3.91 1.82 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 1.29 0.73 0.88 0.00 0.00 85 F 6.94 3.87 0.00 3.24 3.12 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 86 C 7.69 4.21 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.38 3.16 0.00 2.26 2.22 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 2.63 2.70 0.00 88 A 7.76 4.04 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 89 C 8.15 4.00 0.00 3.16 3.34 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 90 V 7.86 3.61 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 0.93 0.00 0.00 1.01 0.00 0.00 91 N 7.67 4.59 0.00 2.84 2.86 0.00 0.00 7.09 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 92 V 7.97 3.99 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 0.77 0.00 0.00 1.00 0.00 0.00 93 C 7.68 4.17 0.00 3.03 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 94 P 0.00 4.33 0.00 2.22 2.17 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 95 V 7.83 4.10 2.09 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 0.94 0.00 0.00 1.01 0.00 0.00 96 A 7.69 3.63 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 97 A 7.68 4.50 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 98 I 7.64 5.05 1.91 0.00 0.00 0.73 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 0.68 1.10 0.00 0.00 99 D 9.32 4.83 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 100 V 8.67 4.94 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 1.13 0.00 0.00 1.04 0.00 0.00 101 K 9.39 4.49 0.00 1.74 1.61 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.31 7.81 102 P 0.00 4.12 0.00 1.67 0.84 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 103 P 0.00 4.40 0.00 2.19 2.07 0.00 3.84 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 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.