NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3493 8.2549 119.0583 55.4428 31.9390 175.6331 8 P 2.9700 0.0000 0.0000 61.0895 32.8615 173.9781 9 N 5.0044 8.3038 118.9879 52.2610 43.1977 173.8111 10 H 4.4813 9.0245 119.9561 58.6525 30.1930 175.3957 11 T 5.1682 8.3052 114.7016 61.9291 70.9709 173.8864 12 I 4.9020 8.5549 119.0846 59.3773 40.6050 173.6731 13 Y 4.6111 9.0055 127.0378 56.3837 40.4153 173.9776 14 I 4.6925 7.7389 127.8959 59.4535 40.4562 174.5380 15 N 5.6478 8.1617 123.9280 50.2416 41.2007 174.0202 16 N 4.3763 8.7011 114.6709 54.8262 37.2764 174.1996 17 L 4.4646 7.7354 114.6460 53.1059 42.5809 176.2762 18 N 4.4371 8.6239 120.0888 53.7950 39.2150 175.8452 19 E 3.8139 8.7013 125.3945 58.7091 30.0249 178.3552 20 K 4.0581 7.6838 117.4612 58.6222 32.2983 177.4453 21 I 3.8404 6.7702 120.2991 60.0924 37.7686 176.6676 22 K 4.1721 8.2913 124.7286 56.1598 34.6165 177.6154 23 K 3.7794 8.6559 121.9556 60.3671 32.1126 178.4904 24 D 4.3183 8.0315 117.3045 57.0173 41.2359 177.6404 25 E 3.9601 8.0904 119.6084 59.2392 29.9135 178.4122 26 L 4.1890 8.1108 120.4797 58.0053 41.9190 178.8028 27 K 4.0150 8.4324 119.9083 59.3411 32.0203 178.7202 28 K 4.3003 8.1558 118.0375 58.7869 31.7770 179.3977 29 S 4.3731 8.4802 115.6981 61.3461 62.7916 176.4321 30 L 4.2595 8.2172 121.4290 57.6452 41.2348 178.6420 31 H 4.3071 7.8868 115.8053 58.6325 29.8303 176.8245 32 A 4.1978 7.7977 122.4533 54.6005 18.2626 178.9568 33 I 3.9761 7.2421 114.5839 63.6900 37.8092 177.7980 34 F 4.9091 8.1180 116.0499 58.4609 38.4412 177.2612 35 S 4.4277 7.7648 115.2813 60.6260 63.1237 175.5855 36 R 3.9752 7.6817 118.3062 58.5843 29.8393 177.8629 37 F 4.2596 8.1430 116.9276 59.9821 39.2626 174.9380 38 G 4.3545 7.5044 102.6391 45.8548 0.0000 171.6730 39 Q 4.4820 8.3719 117.3691 55.6061 30.3883 174.8578 40 I 4.2077 8.2551 123.8652 60.4824 37.9188 175.6916 41 L 4.2279 9.1338 128.2712 57.4418 42.2106 176.9153 42 D 4.6067 7.6560 115.4264 53.2563 44.7183 173.7995 43 I 4.8710 8.3830 125.0022 59.6172 39.6283 174.9217 44 L 4.6040 8.6741 128.3042 53.3328 43.0011 175.8324 45 V 4.7795 8.3924 123.7190 61.0538 34.1126 174.6711 46 S 4.7086 8.6250 120.1935 56.8348 65.5849 173.6123 47 R 4.6316 8.4497 124.0252 55.8960 30.2486 176.2565 48 S 4.3819 7.6237 111.2396 57.3959 63.7201 174.7162 49 L 3.8545 8.5994 123.8267 58.1297 41.7434 178.2128 50 K 4.2428 7.9921 117.6160 57.7925 32.5089 176.6302 51 M 4.8151 8.1003 115.9507 54.5538 33.1976 175.9807 52 R 4.2106 7.3413 115.4275 56.5601 30.6846 176.4894 53 G 3.9266 8.9232 107.3998 46.3131 0.0000 172.5858 54 Q 4.9392 7.7464 115.7854 53.9323 32.8502 174.4740 55 A 4.7384 8.2423 121.8810 50.7526 23.4896 175.5666 56 F 4.9248 8.9405 120.1873 55.7401 41.4100 174.7556 57 V 3.8328 8.1135 125.0472 61.8180 32.6985 175.0937 58 I 4.5443 8.2497 130.4902 60.1494 37.7897 175.4422 59 F 4.9532 8.4504 125.9074 56.4449 39.7122 176.5810 60 K 4.2154 8.5184 121.5629 58.1889 32.5128 177.1483 61 E 4.8807 7.9640 117.0975 54.0481 32.5221 177.0784 62 V 3.6069 8.2139 120.8787 65.7639 31.0969 178.4043 63 S 4.1024 8.0303 112.8108 61.3770 62.1094 175.9758 64 S 4.0932 7.8325 117.7116 60.8574 62.5531 176.4723 65 A 3.5929 7.4628 123.2160 55.1205 18.1631 179.6799 66 T 3.8426 7.9376 114.2167 66.9916 68.6778 176.7351 67 N 4.2400 7.7002 116.9856 56.1607 38.5056 177.4289 68 A 2.5800 7.1694 121.7476 54.2988 17.8802 179.4376 69 L 3.7594 7.7216 118.9472 58.2044 41.8719 179.5001 70 R 3.9740 7.8112 117.1810 59.3678 30.1186 178.8576 71 S 4.3821 7.6406 113.3201 61.1497 63.3768 175.6907 72 M 4.3804 7.7292 119.0422 53.9558 31.7849 175.6865 73 Q 4.1194 7.0552 122.7170 57.2649 29.3940 176.0296 74 G 3.9084 8.9699 113.9597 46.3438 0.0000 172.8350 75 F 4.2184 7.9807 122.3166 56.5606 39.8013 172.8494 76 P 4.5795 0.0000 0.0000 62.4991 30.8269 175.6004 77 F 4.7440 9.5184 127.5273 57.1718 41.5388 174.6911 78 Y 3.7916 8.6789 127.7035 59.4821 34.9620 170.7654 79 D 4.5530 8.2264 113.2783 54.6932 39.1330 174.3179 80 K 4.8348 7.7403 118.2639 53.7667 36.3743 173.9046 81 P 4.8261 0.0000 0.0000 62.8794 32.1863 176.0493 82 M 4.3802 9.2647 124.4868 55.2440 33.5258 175.1435 83 R 4.8164 8.6028 122.5359 54.6130 32.7644 174.3430 84 I 5.0092 8.2743 125.5432 59.7456 40.3974 174.7805 85 Q 4.5924 8.9369 123.8569 54.2131 33.7428 173.9298 86 Y 4.7834 8.4449 117.1951 57.5750 38.9595 175.8606 87 A 4.3076 8.7641 126.6520 52.6064 18.5408 179.1289 88 K 4.1095 8.9614 123.5661 56.8881 32.1315 175.4076 89 T 4.8290 7.4126 106.0441 59.3625 71.9530 172.9815 90 D 4.5677 8.3695 121.4998 54.0772 41.7134 177.5919 91 S 4.3869 8.3661 118.5600 58.0870 65.0433 175.3697 92 D 4.3822 8.4696 123.1608 57.7255 40.3852 178.9594 93 I 3.8311 7.6880 117.1253 63.0282 38.1118 177.1191 94 I 4.0686 7.4876 118.9838 63.6066 37.9155 177.4331 95 A 4.2364 8.4885 122.7467 54.5146 18.2664 178.1491 96 K 4.1571 7.8830 123.0906 54.7832 32.8593 180.1630 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 *7 R 8.25 4.35 0.00 1.85 1.71 0.00 3.23 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.80 1.46 0.00 3.44 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 1.84 1.86 0.00 9 N 8.30 5.00 0.00 2.65 2.97 0.00 0.00 7.06 7.89 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 10 H 9.02 4.48 0.00 3.26 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.31 5.17 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 1.43 0.00 0.00 12 I 8.55 4.90 1.81 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 1.28 0.61 0.93 0.00 0.00 13 Y 9.01 4.61 0.00 3.03 2.82 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 14 I 7.74 4.69 1.53 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 1.09 0.25 0.77 0.00 0.00 15 N 8.16 5.65 0.00 2.61 2.51 0.00 0.00 6.48 7.77 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 16 N 8.70 4.38 0.00 2.85 3.06 0.00 0.00 6.89 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 17 L 7.74 4.46 0.00 1.71 1.67 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.62 4.44 0.00 2.76 2.57 0.00 0.00 7.02 7.65 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 19 E 8.70 3.81 0.00 1.98 1.97 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 2.30 2.32 0.00 20 K 7.68 4.06 0.00 1.91 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.77 3.84 1.38 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 0.53 0.00 0.00 22 K 8.29 4.17 0.00 1.96 1.90 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 K 8.66 3.78 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.56 7.81 24 D 8.03 4.32 0.00 2.83 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 25 E 8.09 3.96 0.00 2.08 2.05 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 2.48 2.43 0.00 26 L 8.11 4.19 0.00 1.89 1.87 1.20 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.43 4.02 0.00 2.05 1.99 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.50 7.81 28 K 8.16 4.30 0.00 1.95 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 29 S 8.48 4.37 0.00 4.38 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 0.00 30 L 8.22 4.26 0.00 1.79 1.69 0.94 0.50 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 31 H 7.89 4.31 0.00 3.41 3.49 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.80 4.20 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.24 3.98 1.53 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.43 0.00 0.00 34 F 8.12 4.91 0.00 3.23 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 35 S 7.76 4.43 0.00 4.02 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 36 R 7.68 3.98 0.00 1.61 1.85 0.00 2.21 0.00 0.00 2.77 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 37 F 8.14 4.26 0.00 3.00 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 38 G 7.50 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 0.00 0.00 0.00 0.00 39 Q 8.37 4.48 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 40 I 8.26 4.21 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.54 0.71 0.00 0.00 41 L 9.13 4.23 0.00 1.57 1.71 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.66 4.61 0.00 2.66 2.42 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 43 I 8.38 4.87 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 1.19 0.71 0.88 0.00 0.00 44 L 8.67 4.60 0.00 1.80 1.72 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.39 4.78 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 0.80 0.00 0.00 0.95 0.00 0.00 46 S 8.63 4.71 0.00 3.87 3.68 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 47 R 8.45 4.63 0.00 1.76 1.86 0.00 3.46 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 48 S 7.62 4.38 0.00 4.07 3.99 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 49 L 8.60 3.85 0.00 1.61 1.79 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.99 4.24 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 M 8.10 4.82 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 52 R 7.34 4.21 0.00 1.92 2.00 0.00 2.74 0.00 0.00 3.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 53 G 8.92 3.93 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 0.00 0.00 0.00 54 Q 7.75 4.94 0.00 2.07 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.05 2.41 0.00 55 A 8.24 4.74 1.05 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 0.00 0.00 56 F 8.94 4.92 0.00 3.03 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 57 V 8.11 3.83 1.57 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 0.03 0.00 0.00 0.33 0.00 0.00 58 I 8.25 4.54 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.93 0.00 0.00 59 F 8.45 4.95 0.00 3.19 3.08 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 60 K 8.52 4.22 0.00 1.92 1.92 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.45 7.81 61 E 7.96 4.88 0.00 2.04 1.82 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 2.34 2.23 0.00 62 V 8.21 3.61 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 0.99 0.00 0.00 0.65 0.00 0.00 63 S 8.03 4.10 0.00 3.92 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 64 S 7.83 4.09 0.00 3.73 3.43 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 65 A 7.46 3.59 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 0.00 0.00 66 T 7.94 3.84 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 1.27 0.00 0.00 67 N 7.70 4.24 0.00 2.77 3.05 0.00 0.00 6.98 7.95 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 68 A 7.17 2.58 0.91 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 69 L 7.72 3.76 0.00 1.54 1.58 -0.11 0.66 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 70 R 7.81 3.97 0.00 1.76 1.95 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 71 S 7.64 4.38 0.00 3.99 4.01 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 72 M 7.73 4.38 0.00 1.82 2.07 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.35 0.00 73 Q 7.06 4.12 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 74 G 8.97 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 75 F 7.98 4.22 0.00 3.09 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 76 P 0.00 4.58 0.00 1.72 1.85 0.00 2.49 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 1.73 1.89 0.00 77 F 9.52 4.74 0.00 3.18 3.07 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 78 Y 8.68 3.79 0.00 2.97 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 79 D 8.23 4.55 0.00 2.84 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 80 K 7.74 4.83 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 81 P 0.00 4.83 0.00 2.10 2.06 0.00 3.79 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 2.00 2.01 0.00 82 M 9.26 4.38 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.58 0.00 83 R 8.60 4.82 0.00 1.89 1.97 0.00 3.07 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.27 5.01 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.84 0.00 0.00 85 Q 8.94 4.59 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 86 Y 8.44 4.78 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.76 4.31 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 4.11 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.41 4.83 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 1.20 0.00 0.00 90 D 8.37 4.57 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.39 0.00 3.86 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 92 D 8.47 4.38 0.00 2.72 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 93 I 7.69 3.83 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.90 0.00 0.00 94 I 7.49 4.07 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.76 0.00 0.00 95 A 8.49 4.24 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 96 K 7.88 4.16 0.00 1.75 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.