NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3593 8.1749 117.3765 63.2282 70.0846 173.2412 3 K 4.3114 8.4166 125.0599 55.7162 33.9393 174.8287 4 K 5.0853 9.8153 127.0457 53.3817 35.7979 174.5070 5 V 4.7415 8.5755 124.4752 60.1938 34.3004 173.9580 6 L 4.8169 8.8203 130.7439 54.2228 43.5358 174.9863 7 I 4.7517 9.0773 128.3174 59.8728 39.4040 174.9496 8 V 4.4611 8.9509 128.3752 61.5427 33.1807 173.9318 9 E 5.1139 9.0439 129.2709 55.2447 32.7435 175.6034 10 D 4.3919 9.0139 126.6645 55.2741 40.4622 176.5008 11 N 4.5483 8.5526 119.7832 52.4794 39.8811 174.6651 12 E 3.8897 8.8386 128.6370 59.5510 29.7891 178.6993 13 L 3.9005 7.8777 118.1816 57.9514 41.6823 179.2032 14 N 3.8312 8.2645 116.2891 56.2078 38.3510 177.0767 15 M 4.0772 8.1909 119.9082 58.7608 32.2379 178.4960 16 K 3.9858 8.1640 118.6284 59.1378 32.1250 179.1501 17 L 3.8266 7.7126 120.5981 58.1589 42.0229 178.9870 18 F 4.4072 7.8358 117.8112 60.8990 38.7906 177.1265 19 H 4.2303 8.6138 117.8632 59.4460 29.7163 176.9456 20 D 4.3020 8.4668 120.9450 57.4458 40.4640 178.8662 21 L 4.0269 7.8936 118.1235 57.8773 42.0668 179.3583 22 L 4.1899 8.2718 118.9911 57.7225 41.5502 179.1284 23 E 4.1767 8.7842 120.8217 58.6788 29.3219 178.7424 24 A 3.9595 7.7949 119.9269 54.7901 18.4928 178.7973 25 Q 3.9785 7.3982 114.0749 56.3401 28.9669 176.9693 26 G 3.9290 7.8438 108.6713 45.1598 0.0000 173.0194 27 Y 4.9750 7.3242 116.8978 57.2206 40.0625 174.5896 28 E 4.8662 9.0753 121.7370 55.5634 32.0009 175.2574 29 T 5.3144 8.3887 110.5391 60.1004 72.4803 172.8945 30 L 4.9823 8.9394 122.1025 53.1907 45.3351 175.6632 31 Q 5.1170 8.4909 120.0572 54.8046 32.7413 174.3578 32 T 4.6123 8.6746 115.3866 61.6295 71.0335 174.1397 33 R 4.7368 8.6913 123.5697 55.6656 31.3746 176.7800 34 E 5.0770 7.8474 118.3412 53.6929 33.0457 176.8063 35 G 3.6898 9.1252 110.7605 48.1294 0.0000 176.1351 36 L 3.9687 7.9375 121.4047 57.5936 41.6859 179.7217 37 S 4.1147 8.0964 114.3228 61.3443 62.7403 176.2573 38 A 4.0535 7.8973 123.5837 55.1933 18.0390 179.7220 39 L 3.9128 7.6129 116.7185 57.9925 41.5757 179.8832 40 S 4.0644 7.7405 114.9407 61.7692 62.8320 176.8591 41 I 3.6926 8.2457 122.5799 64.3495 36.9387 178.3581 42 A 4.0248 8.2085 121.6559 55.2139 17.9773 179.7519 43 R 4.0107 7.7433 114.9558 58.2835 30.2838 177.7748 44 E 4.4221 7.6793 117.6191 56.5981 30.2132 175.7853 45 N 4.8165 8.1366 115.0730 52.5933 40.6953 175.5498 46 K 3.8764 7.8425 115.1182 55.0560 28.7501 177.5062 47 P 4.5920 0.0000 0.0000 62.5009 32.5043 177.1409 48 D 4.6232 8.7435 118.9603 55.8949 41.6176 176.5836 49 L 4.6013 7.5125 118.5627 53.8843 45.8876 173.5555 50 I 4.8072 8.6412 125.4111 59.4383 40.4277 174.2702 51 L 4.8004 9.0403 130.3949 53.9343 43.3350 174.6653 52 M 4.8845 8.8809 128.3967 53.5314 34.1017 174.3986 53 D 4.9176 8.7829 127.4934 54.5426 41.5631 176.3374 54 I 3.9413 8.9970 127.4566 63.2183 38.3447 176.9782 55 Q 4.7483 7.6857 121.7456 55.1341 26.7992 176.0905 56 L 4.3117 7.4702 118.6895 53.8402 42.9018 177.3481 57 P 4.4867 0.0000 0.0000 64.9753 31.5606 177.0345 58 E 4.4446 8.0057 114.8985 56.7302 30.7791 175.2961 59 I 4.3962 6.8441 115.5952 59.7199 41.5202 173.4053 60 S 4.4968 8.5502 119.8824 57.5789 63.0748 175.4736 61 G 3.7630 8.8717 114.7595 47.7761 0.0000 175.8416 62 L 4.0650 7.7328 121.4943 57.7065 41.4889 179.2816 63 E 3.8668 8.0679 118.6878 59.1370 29.3358 179.4628 64 V 3.9659 7.7011 118.0045 66.3930 31.7107 178.0839 65 T 3.9756 8.0925 115.5851 66.4146 68.1596 176.8215 66 K 3.9831 7.8414 120.1415 59.2602 31.8313 179.3741 67 W 4.4385 7.7614 117.8751 59.7641 29.1644 178.2185 68 L 4.2201 8.0570 118.9914 57.8679 40.9246 179.6198 69 K 4.1960 8.0474 116.4499 58.4704 32.1217 178.3727 70 E 4.3928 7.8392 117.0431 55.8945 29.9996 175.4291 71 D 4.8386 7.5053 120.3693 52.0849 42.2443 176.6868 72 D 4.3873 8.8470 126.6871 56.1977 39.4351 177.1987 73 D 4.6051 8.6300 118.8321 55.3093 41.5078 177.0433 74 L 4.5035 7.8055 117.0834 54.8068 43.2591 178.0955 75 A 4.0635 8.1760 121.9011 55.3092 18.2926 178.3915 76 H 4.4059 8.1830 109.4099 57.4489 29.1970 175.4318 77 I 3.8416 7.2541 122.5311 60.2330 37.2939 174.3753 78 P 4.3427 0.0000 0.0000 62.8960 32.5924 175.2040 79 V 4.7056 8.3989 122.6682 61.1031 34.2519 173.9090 80 V 4.7178 8.8307 128.3102 61.1022 33.5004 174.4526 81 A 4.8664 8.8756 130.3106 51.4659 20.4743 176.1356 82 V 4.9115 8.9992 122.0716 61.5392 33.7453 174.5639 83 T 4.9351 8.9909 118.1823 59.6230 71.8695 174.2490 84 A 4.3531 8.6282 127.7702 53.3194 19.4235 178.5828 *91 E 4.0752 8.3071 118.5789 57.7012 32.0416 182.2437 92 E 4.0885 7.9927 121.1784 61.5579 29.7653 181.5565 93 R 4.1176 7.7974 120.8859 61.2687 29.6434 180.8897 94 I 3.9323 7.7662 122.7976 64.9174 37.2405 179.2692 95 R 4.3079 8.1932 125.1773 61.6953 29.0359 181.1923 96 E 4.3604 8.2284 118.3499 60.6560 29.7850 180.8022 97 G 3.9805 8.0152 104.0689 45.6518 0.0000 174.3218 98 G 4.1459 7.6113 108.4040 45.4096 0.0000 173.6420 99 C 4.5576 8.1152 118.2581 59.0421 29.0236 174.6705 100 E 4.2492 8.9819 123.7987 59.4517 29.9652 176.2429 101 A 4.7336 7.6124 119.2823 51.4900 22.8806 174.3844 102 Y 5.3769 8.1782 115.5471 55.7569 41.4974 174.8689 103 I 4.6350 9.4335 122.2561 59.6774 40.8289 174.8680 104 S 5.9386 8.9274 124.0116 57.3095 65.4123 173.6228 105 K 5.1545 8.4636 124.7346 52.4961 34.0430 175.0021 106 P 4.3029 0.0000 0.0000 62.1522 31.6568 176.4331 107 I 4.4497 8.1622 115.8626 60.0093 38.6560 175.5028 108 S 4.6207 8.4403 116.3628 56.8149 63.7198 174.8042 109 V 3.6317 8.4140 128.8376 66.3757 31.3489 178.1066 110 V 3.6262 7.7937 117.3329 66.2082 31.4657 177.2451 111 H 4.1425 8.1466 118.0012 59.0692 29.6994 176.9731 112 F 4.0610 8.6691 122.7711 61.4616 39.2291 177.1615 113 L 3.9189 8.4905 118.9015 57.6206 41.3608 179.1222 114 E 3.8852 8.5686 119.7205 59.5386 29.3859 179.0018 115 T 3.7146 7.7519 115.6342 66.7652 68.4667 176.7775 116 I 3.5759 7.3588 121.5943 64.1749 37.0167 178.7227 117 K 4.0107 8.3312 119.7934 59.3212 31.6257 179.3238 118 R 3.8227 7.9064 118.3502 59.4311 30.0327 178.2074 119 L 4.1479 7.3945 117.6336 57.1881 41.8124 178.7533 120 L 4.1892 7.8836 118.0863 55.7479 43.2091 177.5943 121 E 4.5141 8.3020 119.7377 54.6656 28.1740 175.1507 122 R 4.7236 7.3716 118.3223 53.3919 34.6162 175.6008 123 Q 4.0326 8.6653 118.3317 55.9973 28.8901 175.1176 124 P 4.3890 0.0000 0.0000 63.1296 31.4453 176.0407 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 2 T 8.17 4.36 4.27 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 0.00 0.00 0.00 1.31 0.00 0.00 3 K 8.42 4.31 0.00 1.39 1.45 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 4 K 9.82 5.09 0.00 1.35 1.63 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 5 V 8.58 4.74 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 1.00 0.00 0.00 0.88 0.00 0.00 6 L 8.82 4.82 0.00 1.81 1.53 0.99 1.05 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 7 I 9.08 4.75 1.99 0.00 0.00 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 1.22 0.65 1.14 0.00 0.00 8 V 8.95 4.46 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 0.99 0.00 0.00 0.97 0.00 0.00 9 E 9.04 5.11 0.00 2.32 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 2.37 2.49 0.00 10 D 9.01 4.39 0.00 2.85 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 11 N 8.55 4.55 0.00 2.79 2.83 0.00 0.00 6.65 7.22 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 12 E 8.84 3.89 0.00 2.05 1.92 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 2.36 2.40 0.00 13 L 7.88 3.90 0.00 1.87 1.61 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.26 3.83 0.00 2.72 2.36 0.00 0.00 6.70 7.45 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 15 M 8.19 4.08 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 16 K 8.16 3.99 0.00 1.98 1.82 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 17 L 7.71 3.83 0.00 1.54 1.34 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.84 4.41 0.00 3.31 3.10 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 0.00 0.00 0.00 0.00 19 H 8.61 4.23 0.00 3.27 3.58 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.47 4.30 0.00 2.87 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 21 L 7.89 4.03 0.00 1.76 1.90 0.66 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.27 4.19 0.00 1.88 1.90 1.09 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 23 E 8.78 4.18 0.00 1.89 2.03 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 2.27 2.17 0.00 24 A 7.79 3.96 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 25 Q 7.40 3.98 0.00 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.63 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 26 G 7.84 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 27 Y 7.32 4.98 0.00 3.04 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 28 E 9.08 4.87 0.00 1.95 1.89 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 2.31 2.29 0.00 29 T 8.39 5.31 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 1.32 0.00 0.00 30 L 8.94 4.98 0.00 1.59 1.57 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.49 5.12 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 32 T 8.67 4.61 4.26 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 1.31 0.00 0.00 33 R 8.69 4.74 0.00 1.85 1.97 0.00 3.26 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 34 E 7.85 5.08 0.00 1.95 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 2.22 2.29 0.00 35 G 9.13 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 36 L 7.94 3.97 0.00 1.68 1.65 0.91 0.70 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 37 S 8.10 4.11 0.00 4.01 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 38 A 7.90 4.05 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 39 L 7.61 3.91 0.00 1.77 1.62 0.67 0.80 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 40 S 7.74 4.06 0.00 3.91 3.87 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 41 I 8.25 3.69 1.99 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 1.45 1.07 0.92 0.00 0.00 42 A 8.21 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.74 4.01 0.00 1.90 1.99 0.00 3.11 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 44 E 7.68 4.42 0.00 1.87 1.95 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 2.25 2.37 0.00 45 N 8.14 4.82 0.00 2.81 2.76 0.00 0.00 7.10 6.93 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 46 K 7.84 3.88 0.00 1.88 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.23 7.81 47 P 0.00 4.59 0.00 2.31 2.07 0.00 3.80 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 1.96 1.97 0.00 48 D 8.74 4.62 0.00 2.53 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 49 L 7.51 4.60 0.00 1.57 1.34 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.64 4.81 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 1.10 0.50 0.92 0.00 0.00 51 L 9.04 4.80 0.00 1.64 1.51 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.88 4.88 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 53 D 8.78 4.92 0.00 3.01 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 54 I 9.00 3.94 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.92 0.00 0.00 55 Q 7.69 4.75 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 56 L 7.47 4.31 0.00 2.02 1.80 0.97 1.08 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 57 P 0.00 4.49 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 58 E 8.01 4.44 0.00 2.12 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 2.24 2.25 0.00 59 I 6.84 4.40 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.99 0.00 0.00 60 S 8.55 4.50 0.00 3.89 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 61 G 8.87 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 0.00 0.00 0.00 62 L 7.73 4.06 0.00 1.63 1.70 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.07 3.87 0.00 2.09 1.68 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 2.20 2.23 0.00 64 V 7.70 3.97 2.34 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 1.26 0.00 0.00 1.13 0.00 0.00 65 T 8.09 3.98 4.41 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 1.25 0.00 0.00 66 K 7.84 3.98 0.00 1.86 1.70 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.53 7.81 67 W 7.76 4.44 0.00 3.60 3.06 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 68 L 8.06 4.22 0.00 1.98 1.75 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.05 4.20 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.75 1.63 7.81 70 E 7.84 4.39 0.00 2.23 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 0.00 2.36 2.43 0.00 71 D 7.51 4.84 0.00 2.76 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 72 D 8.85 4.39 0.00 2.81 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 73 D 8.63 4.61 0.00 2.86 2.78 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 74 L 7.81 4.50 0.00 1.88 1.69 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.18 4.06 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 H 8.18 4.41 0.00 3.29 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.25 3.84 1.87 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 1.06 0.25 0.89 0.00 0.00 78 P 0.00 4.34 0.00 2.05 2.14 0.00 3.69 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 2.06 1.90 0.00 79 V 8.40 4.71 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 1.06 0.00 0.00 0.98 0.00 0.00 80 V 8.83 4.72 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 0.86 0.00 0.00 0.82 0.00 0.00 81 A 8.88 4.87 1.32 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 0.00 0.00 82 V 9.00 4.91 2.22 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 1.40 0.00 0.00 0.91 0.00 0.00 83 T 8.99 4.94 4.26 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 1.24 0.00 0.00 84 A 8.63 4.35 1.31 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 0.00 0.00 0.00 *91 E 8.31 4.08 0.00 1.93 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 2.21 1.88 0.00 92 E 7.99 4.09 0.00 1.97 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 2.31 1.94 0.00 93 R 7.80 4.12 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 94 I 7.77 3.93 1.80 0.00 0.00 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 1.49 0.76 0.98 0.00 0.00 95 R 8.19 4.31 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 96 E 8.23 4.36 0.00 2.07 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 2.26 2.20 0.00 97 G 8.02 3.98 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 0.00 0.00 0.00 98 G 7.61 4.15 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 0.00 0.00 0.00 99 C 8.12 4.56 0.00 3.23 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 0.00 100 E 8.98 4.25 0.00 1.81 1.99 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 2.38 2.38 0.00 101 A 7.61 4.73 1.15 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 0.00 0.00 102 Y 8.18 5.38 0.00 2.92 2.91 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 0.00 103 I 9.43 4.64 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 1.17 0.00 0.00 104 S 8.93 5.94 0.00 4.03 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 0.00 105 K 8.46 5.15 0.00 1.54 1.60 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.97 7.81 106 P 0.00 4.30 0.00 2.17 2.11 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 107 I 8.16 4.45 2.01 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 1.93 1.10 0.00 0.00 108 S 8.44 4.62 0.00 3.93 3.84 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 0.00 0.00 0.00 109 V 8.41 3.63 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 1.12 0.00 0.00 0.92 0.00 0.00 110 V 7.79 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 1.06 0.00 0.00 0.96 0.00 0.00 111 H 8.15 4.14 0.00 3.26 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.67 4.06 0.00 3.17 3.31 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 0.00 113 L 8.49 3.92 0.00 1.78 1.74 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.57 3.89 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 115 T 7.75 3.71 4.11 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 1.04 0.00 0.00 116 I 7.36 3.58 1.60 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.11 0.79 0.00 0.00 117 K 8.33 4.01 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.69 7.81 118 R 7.91 3.82 0.00 1.86 2.07 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 119 L 7.39 4.15 0.00 1.54 1.63 0.84 0.92 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 0.00 120 L 7.88 4.19 0.00 1.50 1.46 0.44 0.54 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 0.00 121 E 8.30 4.51 0.00 1.99 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 2.35 2.47 0.00 122 R 7.37 4.72 0.00 1.71 1.75 0.00 3.21 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 123 Q 8.67 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 124 P 0.00 4.39 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.