NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6435 8.2076 120.1957 53.6081 42.6657 176.2290 7 P 4.2263 0.0000 0.0000 64.6494 31.5238 177.7335 8 F 4.0187 9.0305 121.3185 61.4874 39.9590 178.1542 9 Q 4.1581 8.3796 117.7394 59.0818 28.3774 178.9738 10 Q 3.9744 7.7683 119.8265 58.9359 29.0632 178.3731 11 V 3.4584 7.6845 119.2259 65.9763 31.5760 177.8535 12 V 3.4170 7.6083 118.1440 66.1995 31.2928 177.9561 13 K 3.9671 7.9071 118.5071 59.5051 31.9881 178.5072 14 D 4.3773 8.1765 119.3344 57.6008 40.6963 179.1096 15 T 3.8262 8.0148 116.1132 66.5203 68.4955 176.7976 16 K 3.9654 7.6866 120.0800 59.8978 32.1698 178.9630 17 E 3.9158 8.0594 118.6504 58.9959 29.3615 178.6218 18 Q 3.9181 8.3585 120.0736 59.0787 29.1747 178.0312 19 L 3.9828 8.3059 120.3538 58.0734 41.6157 179.3659 20 N 4.3467 8.4281 116.4936 56.3064 38.5643 177.2742 21 R 3.9076 8.1313 120.0844 59.6994 29.9917 178.5879 22 I 3.9248 7.6281 119.5568 63.9561 37.1872 177.7484 23 N 4.3388 8.3450 118.0730 56.8951 38.8095 176.7040 24 N 4.3756 8.5727 118.1787 56.2869 38.5430 176.7602 25 Y 3.9605 7.9847 120.4376 60.8886 38.7379 178.0094 26 I 3.7789 8.0159 119.4803 65.0627 37.3050 178.2122 27 T 3.9964 7.7126 115.3325 66.5471 68.3490 176.4329 28 R 3.9911 7.8679 119.4383 57.8871 31.4074 176.0017 29 H 4.8472 7.6652 115.2816 57.0298 29.1441 175.3464 30 N 4.0185 7.6001 117.4123 56.3257 39.3668 176.2226 31 T 4.1116 7.4763 115.0668 62.8898 69.5766 175.6398 32 A 4.4046 8.4608 132.6837 51.1514 18.8298 176.3067 33 G 3.4494 8.2782 111.9736 46.1806 0.0000 174.4927 34 D 4.3398 8.5515 129.2924 53.0538 41.8865 174.5632 35 D 4.3797 8.8256 128.9421 57.8941 40.8381 177.5616 36 D 4.3318 8.3352 118.3562 58.4411 40.6617 178.8794 37 Q 3.9372 7.8898 117.6416 58.8488 29.0663 178.2678 38 E 3.9729 8.5520 120.9113 59.3434 29.6089 178.7107 39 E 3.8928 8.1867 119.1446 59.1634 29.7337 178.1076 40 E 3.8245 8.4048 119.7571 59.5729 29.6633 178.7929 41 I 3.5299 8.3534 120.5225 64.5641 37.1889 178.5154 42 Q 3.7538 7.8333 118.5312 58.6829 28.5080 178.1995 43 D 4.3076 8.4989 120.3174 57.6281 40.8536 179.0452 44 I 3.6526 7.8140 120.0701 64.4848 37.1077 178.6192 45 L 3.8929 7.7720 119.7497 57.3766 41.1994 179.5738 46 K 3.8825 7.9011 119.5890 59.4420 32.1522 178.4430 47 D 4.3119 7.9928 119.1980 57.5748 40.9215 178.9768 48 V 3.5656 7.9769 118.7436 66.2127 31.2827 177.7451 49 E 3.9635 8.1742 118.1349 59.5037 29.2711 179.1817 50 E 4.0372 7.9949 118.2278 59.3285 29.7407 179.0064 51 T 3.8671 8.3089 116.2233 66.7748 68.3264 176.5146 52 I 3.7829 7.6477 121.2276 63.9724 37.2120 178.3148 53 V 3.5733 7.5078 119.2416 66.2106 31.1740 177.6212 54 D 4.3235 8.0859 118.4526 57.2395 40.7350 178.3496 55 L 3.8941 7.8522 119.2158 58.4188 41.8812 179.6545 56 D 4.4599 8.4058 118.5347 57.4188 40.7443 179.2381 57 R 3.9339 8.1004 118.6022 59.1591 29.8779 178.6696 58 S 4.1392 8.1852 112.1507 61.7899 62.4140 176.0312 59 I 3.9992 7.6069 120.6143 64.5005 36.9124 178.2859 60 I 3.9137 7.3535 118.9591 64.1802 37.4553 180.0629 61 V 3.8840 7.4411 112.9579 61.2296 31.0825 177.5262 *63 K 4.3417 8.0055 118.8008 56.5297 34.1297 178.0773 64 R 4.0094 7.9178 116.2467 58.3319 29.5770 176.2675 65 D 4.4614 7.9306 118.5316 53.9881 40.6654 176.9738 66 E 4.1215 8.7431 125.0930 58.8383 29.8844 178.5920 67 N 4.3924 7.5699 116.7373 55.4792 37.7884 175.2480 68 E 3.7648 8.2026 120.0870 56.3628 30.2928 177.8339 69 D 4.5902 8.2231 125.3608 52.6860 38.3558 176.1941 70 V 3.4739 7.7276 122.5471 66.4966 31.6075 176.7374 71 S 4.2858 8.1343 113.7922 61.8912 62.6517 177.0734 72 G 3.6880 8.2405 108.1077 46.3318 0.0000 175.3463 73 R 4.3792 7.5753 119.9769 58.4039 30.7083 178.5133 74 E 4.1481 8.8258 117.1254 58.9270 29.6014 179.0105 75 A 4.0139 7.7983 122.2801 55.1683 18.3179 179.5174 76 Q 4.0737 8.0140 116.0902 58.5244 28.6848 178.9213 77 V 3.6594 7.6606 119.2635 65.3394 31.7641 177.3660 78 K 3.7902 8.1652 119.6857 59.8536 31.9687 177.8944 79 N 4.5312 7.9736 118.0715 56.3276 38.7937 176.8576 80 I 3.7542 7.5888 121.1988 64.1610 37.0764 178.4457 81 K 3.9230 8.4606 119.8564 59.5817 31.6716 179.3490 82 Q 3.9648 8.2485 118.1976 58.9146 28.6649 178.4259 83 Q 4.0221 8.0912 120.4997 59.2049 29.0451 178.1109 84 L 3.9078 7.9964 121.1652 58.5234 42.0920 178.8039 85 D 4.3294 8.5080 118.7932 57.0553 40.7510 178.3740 86 A 3.9968 8.5037 121.8004 55.4163 18.4199 179.5496 87 L 4.0516 7.9753 118.4377 57.9622 42.0738 179.2247 88 K 4.0979 8.3429 118.8792 58.9536 31.8874 179.1152 89 L 3.9626 7.8377 120.4101 58.1981 42.0155 179.0125 90 R 3.9323 7.9192 117.9689 59.3086 30.0823 178.6257 91 F 4.0918 8.3641 120.0977 61.5127 39.1764 176.8043 92 D 4.3095 8.1955 116.8669 57.4497 40.8449 178.5193 93 R 4.0532 8.3456 118.8838 59.4596 30.1462 178.9555 94 R 3.8110 8.1071 118.2743 59.6026 29.8301 178.3252 95 I 3.5511 7.2085 118.2100 64.6007 37.1796 177.7694 96 Q 4.1300 7.6838 115.9918 56.3442 28.9668 175.8942 97 E 4.6592 7.1524 119.8282 54.2080 32.4601 175.7840 98 S 4.0265 8.9929 116.1044 60.2760 62.1041 174.6880 99 T 3.7582 8.6780 122.0491 63.6058 67.3373 171.3988 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 6 D 8.21 4.64 0.00 2.79 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 7 P 0.00 4.23 0.00 2.43 2.31 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 8 F 9.03 4.02 0.00 3.20 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 9 Q 8.38 4.16 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 10 Q 7.77 3.97 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 V 7.68 3.46 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 0.78 0.00 0.00 0.92 0.00 0.00 12 V 7.61 3.42 2.18 0.00 0.00 0.00 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 0.67 0.00 0.00 13 K 7.91 3.97 0.00 1.87 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 14 D 8.18 4.38 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.83 4.31 0.00 0.00 0.00 0.00 0.00 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 16 K 7.69 3.97 0.00 1.76 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.67 7.81 17 E 8.06 3.92 0.00 2.10 2.19 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 2.30 2.35 0.00 18 Q 8.36 3.92 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 19 L 8.31 3.98 0.00 1.90 1.70 0.93 0.68 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 20 N 8.43 4.35 0.00 2.95 2.88 0.00 0.00 6.70 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 21 R 8.13 3.91 0.00 2.08 2.01 0.00 3.08 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 22 I 7.63 3.92 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.92 0.00 0.00 23 N 8.34 4.34 0.00 3.03 2.95 0.00 0.00 7.18 6.32 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 24 N 8.57 4.38 0.00 2.82 2.89 0.00 0.00 6.69 7.76 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 25 Y 7.98 3.96 0.00 3.26 3.17 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 0.00 26 I 8.02 3.78 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.01 0.98 0.00 0.00 27 T 7.71 4.00 4.38 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 1.19 0.00 0.00 28 R 7.87 3.99 0.00 1.72 1.73 0.00 3.07 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.50 0.00 29 H 7.67 4.85 0.00 2.63 3.02 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.60 4.02 0.00 2.67 2.83 0.00 0.00 7.24 7.54 0.00 0.00 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 T 7.48 4.11 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 1.21 0.00 0.00 32 A 8.46 4.40 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 G 8.28 3.45 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 34 D 8.55 4.34 0.00 2.82 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 35 D 8.83 4.38 0.00 2.82 2.72 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 36 D 8.34 4.33 0.00 2.85 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 37 Q 7.89 3.94 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 38 E 8.55 3.97 0.00 2.31 2.19 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 2.51 2.50 0.00 39 E 8.19 3.89 0.00 2.22 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 2.29 2.31 0.00 40 E 8.40 3.82 0.00 2.02 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 2.19 2.31 0.00 41 I 8.35 3.53 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.34 0.51 0.00 0.00 42 Q 7.83 3.75 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 43 D 8.50 4.31 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.65 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.87 0.00 0.00 45 L 7.77 3.89 0.00 1.73 1.58 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.90 3.88 0.00 1.94 1.94 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 47 D 7.99 4.31 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.57 2.16 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 0.99 0.00 0.00 0.91 0.00 0.00 49 E 8.17 3.96 0.00 2.14 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 2.54 0.00 50 E 7.99 4.04 0.00 2.07 1.96 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 2.30 2.58 0.00 51 T 8.31 3.87 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 1.13 0.00 0.00 52 I 7.65 3.78 2.01 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 0.78 0.89 0.00 0.00 53 V 7.51 3.57 2.21 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 1.03 0.00 0.00 0.98 0.00 0.00 54 D 8.09 4.32 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.89 0.00 1.75 1.58 0.66 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.41 4.46 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 57 R 8.10 3.93 0.00 2.15 1.99 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 58 S 8.19 4.14 0.00 4.09 4.38 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 59 I 7.61 4.00 2.09 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 1.48 0.98 0.92 0.00 0.00 60 I 7.35 3.91 2.01 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 1.53 0.61 0.92 0.00 0.00 61 V 7.44 3.88 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 0.80 0.00 0.00 1.04 0.00 0.00 *63 K 8.01 4.34 0.00 1.86 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.65 7.81 64 R 7.92 4.01 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 65 D 7.93 4.46 0.00 2.75 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 66 E 8.74 4.12 0.00 1.94 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 2.48 2.23 0.00 67 N 7.57 4.39 0.00 2.98 2.92 0.00 0.00 6.86 7.54 0.00 0.00 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 E 8.20 3.76 0.00 1.82 1.86 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 2.19 2.13 0.00 69 D 8.22 4.59 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.47 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 1.02 0.00 0.00 0.94 0.00 0.00 71 S 8.13 4.29 0.00 3.89 3.92 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 0.00 0.00 0.00 72 G 8.24 3.69 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 0.00 0.00 0.00 73 R 7.58 4.38 0.00 1.96 1.78 0.00 2.70 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.00 74 E 8.83 4.15 0.00 2.17 2.25 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 2.51 2.34 0.00 75 A 7.80 4.01 1.38 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 76 Q 8.01 4.07 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.73 0.00 77 V 7.66 3.66 2.27 0.00 0.00 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 1.08 0.00 0.00 78 K 8.17 3.79 0.00 1.94 2.00 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 79 N 7.97 4.53 0.00 2.84 2.98 0.00 0.00 6.77 7.96 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 80 I 7.59 3.75 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.88 0.00 0.00 81 K 8.46 3.92 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.74 7.81 82 Q 8.25 3.96 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 83 Q 8.09 4.02 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 84 L 8.00 3.91 0.00 1.85 1.82 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.51 4.33 0.00 3.00 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 86 A 8.50 4.00 1.38 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 87 L 7.98 4.05 0.00 1.90 1.84 1.02 0.71 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 88 K 8.34 4.10 0.00 2.01 1.89 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.55 7.81 89 L 7.84 3.96 0.00 2.01 1.88 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.92 3.93 0.00 2.16 2.04 0.00 3.24 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 91 F 8.36 4.09 0.00 3.24 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 92 D 8.20 4.31 0.00 2.86 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 93 R 8.35 4.05 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 94 R 8.11 3.81 0.00 2.00 1.94 0.00 3.00 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 95 I 7.21 3.55 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.01 0.82 0.00 0.00 96 Q 7.68 4.13 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 97 E 7.15 4.66 0.00 2.00 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 2.24 2.50 0.00 98 S 8.99 4.03 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 3.76 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 * Residues marked with a * may have inaccurate shift predictions.