NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4293 8.2629 120.6062 55.4707 33.8190 173.9137 2 K 4.7634 7.9608 127.5620 53.1945 33.7781 171.4925 3 I 4.9364 9.0662 127.0510 58.4586 40.4069 174.1502 4 L 4.7781 9.0121 129.3752 54.1016 43.8480 175.1516 5 V 4.8439 8.8655 126.6210 61.3137 34.0734 174.1873 6 I 5.2029 9.1050 129.5929 59.9186 39.6228 174.4652 7 Q 4.7255 9.6048 127.8427 54.7671 30.4146 176.9161 8 G 4.1009 8.2634 113.7082 43.3716 0.0000 171.3797 9 P 4.4040 0.0000 0.0000 64.0985 31.5220 177.8617 10 N 4.2394 8.9941 115.6905 54.6387 38.3850 176.5504 11 L 3.4669 7.8916 117.7409 57.6864 41.6793 178.3494 12 N 4.4269 8.0649 114.8603 55.2190 37.7795 175.8411 13 M 4.5026 8.7974 120.0553 55.2317 32.2090 175.5745 14 L 4.3012 7.4241 120.0775 55.3974 42.1908 177.3494 15 G 4.0176 9.0073 114.7289 46.7356 0.0000 174.9661 *16 H 4.5244 8.1987 117.1369 56.7830 28.5847 180.4698 17 R 3.7054 7.1589 117.4419 59.3801 29.6478 180.7198 *23 G 3.7847 7.5423 110.5294 46.2293 0.0000 172.7614 24 M 4.4329 8.3082 115.1253 53.9023 30.0072 172.1998 25 V 4.5809 7.1618 119.9337 60.7697 35.3441 175.5931 26 T 4.8111 9.3850 119.5537 60.1165 71.2877 175.8044 27 L 3.7131 8.1846 122.9926 58.2482 42.0670 178.5132 28 D 4.2193 8.0086 118.3726 57.7853 40.7384 178.9730 29 Q 4.1049 7.7406 117.7276 58.8895 28.6664 178.9702 30 I 3.5754 7.3570 120.5961 64.6915 37.1003 178.1067 31 H 3.8370 7.6996 117.0300 58.7444 28.3695 177.7995 32 E 3.9954 8.4149 119.4663 59.0334 29.2008 179.3316 33 I 3.6881 7.7390 121.2319 64.6028 37.1240 177.6978 34 M 4.5376 7.9024 120.7908 58.1142 31.3350 178.4619 35 Q 4.1089 8.3467 117.6905 59.8915 29.0391 179.6198 36 T 4.1921 8.4177 116.5421 67.0024 68.5502 176.3108 37 F 4.1511 8.6204 122.5566 61.1355 39.1167 177.4422 38 V 3.5527 8.4870 120.5967 66.6918 31.2998 178.7026 39 K 3.9700 9.0996 122.6348 59.5047 31.5534 180.1559 40 Q 4.4954 8.1386 118.7644 58.6569 29.3031 177.7395 41 G 3.5046 7.8973 103.9520 44.9813 0.0000 172.3582 42 N 4.1585 7.8976 117.6605 54.1151 38.1551 173.3321 43 L 4.3452 7.2204 114.0985 53.0283 42.5302 177.3935 44 D 4.4704 8.4462 123.3896 53.9693 39.3300 173.9413 45 V 5.1300 7.5667 122.2471 59.8533 34.4905 173.9290 46 E 4.1949 8.8036 128.7341 56.2365 30.3829 176.0237 47 L 5.0211 8.3979 124.2444 52.9411 44.3925 175.4777 48 E 4.3518 8.4219 121.8990 54.3302 33.2481 174.0949 49 F 5.4298 8.4629 124.1982 55.8226 41.4560 174.8848 50 F 5.0407 9.6798 125.2769 56.6649 42.7006 172.9275 51 Q 5.0333 8.1605 126.2228 54.8747 31.7954 173.9474 52 T 4.4968 8.6544 118.5188 61.0916 70.8159 172.8384 53 N 4.8069 8.9977 122.1756 53.0586 39.2032 175.0737 54 F 4.8541 8.6601 119.3156 55.2877 41.3279 175.3665 55 E 3.6667 8.9604 124.8348 59.5551 29.3328 178.9516 56 G 3.8091 8.2742 104.8307 48.1956 0.0000 175.1164 57 E 4.3070 8.2854 119.9250 58.8545 29.5516 179.2926 58 I 3.9359 7.8940 119.8051 64.4131 37.1421 178.3165 59 I 3.6825 7.6302 120.4447 64.6617 37.0190 178.1190 60 D 4.3105 8.6676 119.8728 57.2868 40.3987 179.0397 61 K 3.8256 7.7266 118.9342 59.3833 32.6014 178.5731 62 I 3.7550 7.9987 120.4676 64.6794 36.8549 178.3172 63 Q 3.9979 7.9886 117.4415 59.1824 28.5810 178.7611 64 E 4.0862 7.9457 118.6204 58.6320 29.7631 178.9275 65 S 3.9584 7.6550 114.6721 61.2341 62.7550 176.5601 66 V 3.5258 7.2657 120.4968 64.3516 31.6395 175.5287 67 G 4.0860 8.5352 108.4505 45.9346 0.0000 173.5044 68 S 3.4202 8.9869 112.5446 57.9398 64.5615 177.4210 69 D 4.1827 8.2058 133.6486 56.2111 40.9960 176.0119 70 Y 4.7414 8.2444 118.8531 57.0617 38.5932 175.0411 71 E 4.5128 8.8393 124.3264 57.2260 30.8964 176.1137 72 G 4.3024 7.7859 105.0019 45.3286 0.0000 172.0400 73 I 5.2663 8.8743 121.0681 59.4061 40.9272 174.7119 74 I 5.0018 8.7683 127.5457 59.7631 40.0945 174.6748 75 I 4.9641 8.8288 125.6992 60.0528 42.1698 173.0331 76 N 5.5160 9.5809 129.1620 50.8235 38.8649 172.9773 77 P 4.4772 0.0000 0.0000 62.7760 32.6747 177.9495 78 G 3.7533 8.2715 107.8409 46.4656 0.0000 175.0347 79 A 3.7783 8.3930 118.9447 55.5875 18.4755 179.5563 80 F 4.7486 8.0278 115.3669 59.9359 39.0804 177.7294 81 S 4.4924 8.9748 118.2072 61.3549 62.5035 176.0628 82 H 4.7749 7.8665 115.4524 57.1233 28.8073 176.2582 83 T 4.7336 7.8746 107.7697 61.7797 70.7960 174.9759 84 S 4.3697 8.6773 117.5807 57.3148 60.6553 174.0554 85 I 3.3826 7.8731 128.3058 63.5810 37.0347 177.0072 86 A 3.8955 7.9426 121.0767 55.6730 18.1023 179.6216 87 I 3.6257 7.9908 117.3621 64.2082 37.1671 178.7275 88 A 4.0216 7.6968 121.9554 55.2020 18.1301 179.1594 89 D 4.3214 8.4022 116.3993 57.5292 41.1303 178.9562 90 A 4.1142 8.1256 121.1994 55.3462 18.3580 179.7034 91 I 3.7085 8.0222 118.5251 64.7922 36.9179 178.1815 92 M 4.2760 7.8186 117.7037 56.8012 31.7537 177.4494 93 L 4.5079 7.6942 118.0192 54.5074 42.0763 177.8780 94 A 3.7340 7.7342 121.9613 52.7698 19.4943 177.7775 95 G 3.9831 7.3562 105.1868 44.6513 0.0000 173.1151 96 K 4.5100 7.2674 118.5067 55.6865 34.5197 173.3856 97 P 4.3365 0.0000 0.0000 63.2598 32.2905 175.1265 98 V 4.8756 8.5288 123.9219 61.0935 34.4620 173.8840 99 I 4.8944 8.8973 128.8038 59.4595 39.9359 174.3831 100 E 4.7512 8.7727 128.4952 55.5680 31.0601 175.1494 101 V 4.7228 8.2390 125.6602 61.3048 34.4272 174.2781 102 H 4.9337 8.8842 124.0279 54.0181 31.9270 174.4400 103 L 4.0553 8.8980 123.4632 58.1249 42.3377 178.0886 104 T 4.2991 7.7666 106.3994 60.5987 70.5317 173.9375 105 N 4.6247 8.0968 120.2151 51.6421 37.8202 174.9181 106 I 3.7021 7.9589 118.6190 62.6878 38.0966 177.7394 107 Q 3.9342 7.5772 119.5807 58.5967 28.5492 177.1862 108 A 4.5957 8.3483 118.5125 51.7588 19.9187 177.4046 109 R 4.5847 7.2078 116.4572 56.7313 31.1671 176.1104 110 E 3.9728 8.2067 124.0730 56.6467 30.1563 176.6714 111 E 3.6691 8.3240 120.9146 59.6277 29.8953 179.2947 112 F 3.9653 7.9285 113.6706 59.5098 37.7193 176.1994 113 R 3.7344 7.0100 118.2880 56.3129 29.8163 177.4159 114 K 3.9380 7.7911 118.5258 59.2650 32.5187 176.5692 115 N 4.2473 7.7645 119.2124 53.8858 39.7357 175.0089 116 S 4.7368 8.2747 117.5506 56.1882 64.7478 174.1125 117 Y 4.4040 8.2041 127.7682 61.7143 37.8673 178.9740 118 T 4.0842 8.2725 110.1160 64.8306 68.4439 176.4070 119 G 3.6176 8.1163 107.7997 47.5216 0.0000 175.2912 120 A 4.1651 7.7248 122.2155 54.7498 18.3866 179.4799 121 A 4.0595 7.5580 118.6143 54.7351 19.0236 178.2009 122 C 4.1472 7.4381 113.8498 59.8730 28.8083 174.7187 123 G 3.7934 8.0732 111.8158 48.8300 0.0000 173.8618 124 G 4.1875 7.3770 103.6135 45.3088 0.0000 172.6184 125 V 5.0057 8.3915 120.6258 60.8811 34.5256 174.5336 126 I 4.7725 8.5357 128.4387 59.8393 39.5299 174.5356 127 M 5.0250 8.9314 122.6279 55.0665 33.9692 174.7899 128 G 3.6935 8.8912 109.6463 46.1046 0.0000 173.8069 129 F 4.5446 8.1974 114.9504 55.6784 40.4901 178.1128 130 G 3.7790 8.0241 110.8682 46.1697 0.0000 174.0839 131 P 4.5230 0.0000 0.0000 65.7723 32.0043 178.5639 132 L 3.8904 8.0875 119.4703 58.2220 42.0691 179.1350 133 G 3.6473 8.2131 105.3994 47.7891 0.0000 175.3569 134 Y 4.0265 8.4843 119.1908 61.0986 37.8766 178.1396 135 N 3.8342 8.0545 116.8207 56.4491 38.6050 176.8507 136 M 3.7686 8.1402 120.1538 58.5528 32.0192 178.8622 137 A 3.9026 8.0727 120.7422 55.0263 18.6121 179.3497 138 L 3.9421 7.8749 117.6152 58.3699 41.5535 179.2224 139 M 4.1412 8.0867 116.5349 58.8932 32.3858 177.9492 140 A 4.0992 7.8329 120.3160 55.3459 18.5759 178.8752 141 M 3.9072 8.4534 117.1710 59.0875 32.2201 178.2255 142 V 3.6090 7.8808 118.0348 66.5404 31.6996 177.8027 143 N 4.3816 8.2394 115.7343 56.3530 38.3148 177.6400 144 I 3.7861 7.6665 120.7592 64.2945 37.3780 178.2641 145 L 4.0105 8.3662 120.0756 57.6712 41.3726 179.3922 146 A 4.0114 8.0204 120.7507 55.1050 18.4146 179.4068 147 E 3.8630 8.0136 117.3478 59.6410 29.8340 178.4413 148 M 4.1232 8.3199 119.2136 58.8731 30.6107 178.9316 149 K 3.9693 8.2264 117.8358 59.5447 32.1821 179.2995 150 A 4.3752 7.8626 120.7398 55.0264 18.2212 179.5394 151 F 4.3635 8.1885 119.0605 61.5802 39.3278 177.4079 152 Q 3.7523 8.3174 116.8447 57.8275 28.1910 177.6836 153 E 4.2359 7.3304 116.5587 57.4104 30.3763 177.8561 154 A 4.1348 7.6449 120.4173 55.4026 18.7208 179.4034 155 Q 4.0038 8.0471 117.0957 58.5515 28.7664 178.5065 156 K 4.0647 7.2892 116.4526 58.7962 32.5600 177.3700 157 N 4.6595 7.8609 117.2520 54.2075 39.4425 174.1850 158 N 4.5406 8.7509 123.6250 53.5702 39.3600 173.5288 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 8.26 4.43 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 2 K 7.96 4.76 0.00 1.48 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.30 1.36 7.81 3 I 9.07 4.94 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 1.05 0.00 0.00 4 L 9.01 4.78 0.00 1.88 1.56 1.04 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.87 4.84 2.30 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 1.15 0.00 0.00 0.97 0.00 0.00 6 I 9.10 5.20 2.01 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 1.41 0.60 1.16 0.00 0.00 7 Q 9.60 4.73 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 8 G 8.26 4.10 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 0.00 0.00 0.00 9 P 0.00 4.40 0.00 1.86 1.78 0.00 3.65 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 10 N 8.99 4.24 0.00 2.89 2.94 0.00 0.00 7.10 6.82 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 11 L 7.89 3.47 0.00 1.80 1.76 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.06 4.43 0.00 2.83 3.03 0.00 0.00 6.29 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 8.80 4.50 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 14 L 7.42 4.30 0.00 1.72 1.74 0.96 0.93 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 15 G 9.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.52 0.00 2.93 2.97 0.00 7.23 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 17 R 7.16 3.71 0.00 1.85 1.79 0.00 3.27 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 *23 G 7.54 3.78 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 0.00 24 M 8.31 4.43 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.16 4.58 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 26 T 9.38 4.81 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 1.23 0.00 0.00 27 L 8.18 3.71 0.00 1.81 1.56 0.65 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.01 4.22 0.00 2.64 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 29 Q 7.74 4.10 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 30 I 7.36 3.58 1.68 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 0.83 0.45 0.00 0.00 31 H 7.70 3.84 0.00 2.73 1.63 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.41 4.00 0.00 2.15 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 0.00 2.48 2.38 0.00 33 I 7.74 3.69 2.14 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 1.54 0.79 0.99 0.00 0.00 34 M 7.90 4.54 0.00 2.25 2.50 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 35 Q 8.35 4.11 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 36 T 8.42 4.19 4.53 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 0.00 0.00 0.00 1.26 0.00 0.00 37 F 8.62 4.15 0.00 3.22 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 38 V 8.49 3.55 2.24 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 1.04 0.00 0.00 1.16 0.00 0.00 39 K 9.10 3.97 0.00 1.90 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 8.14 4.50 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 41 G 7.90 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.16 0.00 2.75 2.80 0.00 0.00 7.11 8.41 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 43 L 7.22 4.35 0.00 1.72 1.58 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.45 4.47 0.00 2.62 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 45 V 7.57 5.13 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 0.82 0.00 0.00 0.95 0.00 0.00 46 E 8.80 4.19 0.00 1.90 1.74 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 2.31 2.34 0.00 47 L 8.40 5.02 0.00 1.24 0.97 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.42 4.35 0.00 1.98 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 2.25 2.30 0.00 49 F 8.46 5.43 0.00 2.93 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 50 F 9.68 5.04 0.00 3.06 2.89 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 Q 8.16 5.03 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 52 T 8.65 4.50 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 1.37 0.00 0.00 53 N 9.00 4.81 0.00 2.71 2.69 0.00 0.00 6.80 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 54 F 8.66 4.85 0.00 3.11 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 55 E 8.96 3.67 0.00 1.16 1.69 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 2.14 1.77 0.00 56 G 8.27 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 0.00 0.00 0.00 57 E 8.29 4.31 0.00 2.26 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 2.48 2.41 0.00 58 I 7.89 3.94 2.11 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.16 1.05 0.00 0.00 59 I 7.63 3.68 2.02 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 1.51 0.76 0.90 0.00 0.00 60 D 8.67 4.31 0.00 2.89 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 61 K 7.73 3.83 0.00 1.56 1.75 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.87 1.08 7.81 62 I 8.00 3.76 1.98 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 1.51 1.19 0.93 0.00 0.00 63 Q 7.99 4.00 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 64 E 7.95 4.09 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 65 S 7.66 3.96 0.00 3.93 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 66 V 7.27 3.53 2.07 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 0.75 0.00 0.00 0.98 0.00 0.00 67 G 8.54 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 68 S 8.99 3.42 0.00 3.96 3.39 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 69 D 8.21 4.18 0.00 2.61 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 70 Y 8.24 4.74 0.00 2.95 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 71 E 8.84 4.51 0.00 1.86 2.02 0.00 0.00 0.00 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 2.26 0.00 72 G 7.79 4.30 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 0.00 73 I 8.87 5.27 1.90 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 1.22 0.67 0.99 0.00 0.00 74 I 8.77 5.00 2.00 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 1.17 0.82 1.09 0.00 0.00 75 I 8.83 4.96 1.95 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 1.20 1.54 1.03 0.00 0.00 76 N 9.58 5.52 0.00 2.90 2.99 0.00 0.00 6.88 7.71 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 77 P 0.00 4.48 0.00 2.39 2.25 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 78 G 8.27 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 0.00 0.00 0.00 79 A 8.39 3.78 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 80 F 8.03 4.75 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.97 4.49 0.00 3.56 3.82 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 82 H 7.87 4.77 0.00 3.27 3.52 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.87 4.73 4.36 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 1.33 0.00 0.00 84 S 8.68 4.37 0.00 3.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.87 3.38 1.68 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.25 0.73 0.00 0.00 86 A 7.94 3.90 1.25 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 0.00 0.00 0.00 87 I 7.99 3.63 1.91 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 1.48 0.61 0.98 0.00 0.00 88 A 7.70 4.02 1.39 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 89 D 8.40 4.32 0.00 2.77 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 90 A 8.13 4.11 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 91 I 8.02 3.71 2.04 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 1.55 1.62 0.92 0.00 0.00 92 M 7.82 4.28 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 93 L 7.69 4.51 0.00 1.69 1.67 0.91 0.74 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 94 A 7.73 3.73 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 95 G 7.36 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 96 K 7.27 4.51 0.00 1.95 1.84 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.40 7.81 97 P 0.00 4.34 0.00 2.12 2.06 0.00 3.78 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 2.14 2.12 0.00 98 V 8.53 4.88 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 1.09 0.00 0.00 0.95 0.00 0.00 99 I 8.90 4.89 1.89 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 1.12 0.64 0.93 0.00 0.00 100 E 8.77 4.75 0.00 2.09 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 2.08 2.26 0.00 101 V 8.24 4.72 1.65 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 -0.19 0.00 0.00 0.67 0.00 0.00 102 H 8.88 4.93 0.00 3.10 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.90 4.06 0.00 1.65 1.76 1.01 0.88 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 0.00 104 T 7.77 4.30 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 105 N 8.10 4.62 0.00 2.60 2.66 0.00 0.00 6.64 7.82 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 0.00 106 I 7.96 3.70 1.93 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 1.34 0.73 0.71 0.00 0.00 107 Q 7.58 3.93 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 108 A 8.35 4.60 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 0.00 109 R 7.21 4.58 0.00 1.60 1.51 0.00 3.14 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 110 E 8.21 3.97 0.00 1.16 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 2.23 2.17 0.00 111 E 8.32 3.67 0.00 1.99 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 0.00 2.39 2.39 0.00 112 F 7.93 3.97 0.00 3.12 3.23 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 0.00 113 R 7.01 3.73 0.00 1.50 1.75 0.00 3.00 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.00 114 K 7.79 3.94 0.00 1.76 1.72 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 115 N 7.76 4.25 0.00 2.55 2.60 0.00 0.00 6.66 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.27 4.74 0.00 3.88 3.70 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 0.00 117 Y 8.20 4.40 0.00 3.17 2.93 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 0.00 118 T 8.27 4.08 4.34 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 1.31 0.00 0.00 119 G 8.12 3.62 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 0.00 0.00 0.00 120 A 7.72 4.17 1.41 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 0.00 0.00 121 A 7.56 4.06 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 0.00 122 C 7.44 4.15 0.00 3.15 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 0.00 123 G 8.07 3.79 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 0.00 0.00 0.00 124 G 7.38 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.39 5.01 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 0.95 0.00 0.00 126 I 8.54 4.77 1.79 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 1.21 0.62 0.90 0.00 0.00 127 M 8.93 5.03 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 128 G 8.89 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 0.00 0.00 0.00 129 F 8.20 4.54 0.00 3.03 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 0.00 130 G 8.02 3.78 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 0.00 131 P 0.00 4.52 0.00 2.25 2.18 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 132 L 8.09 3.89 0.00 1.80 1.96 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.21 3.65 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 0.00 0.00 0.00 134 Y 8.48 4.03 0.00 3.16 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 0.00 135 N 8.05 3.83 0.00 2.58 1.71 0.00 0.00 7.04 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 0.00 136 M 8.14 3.77 0.00 1.75 2.02 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 137 A 8.07 3.90 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 0.00 138 L 7.87 3.94 0.00 1.90 1.97 1.09 0.73 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 0.00 139 M 8.09 4.14 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.70 0.00 140 A 7.83 4.10 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 0.00 141 M 8.45 3.91 0.00 2.13 2.13 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 2.64 2.66 0.00 142 V 7.88 3.61 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 1.01 0.00 0.00 1.03 0.00 0.00 143 N 8.24 4.38 0.00 2.97 2.86 0.00 0.00 7.10 6.74 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 0.00 144 I 7.67 3.79 1.89 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 1.64 0.77 0.92 0.00 0.00 145 L 8.37 4.01 0.00 1.80 1.74 0.94 0.68 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 0.00 146 A 8.02 4.01 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 0.00 147 E 8.01 3.86 0.00 2.30 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 2.27 2.34 0.00 148 M 8.32 4.12 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 149 K 8.23 3.97 0.00 2.11 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 150 A 7.86 4.38 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.19 4.36 0.00 3.15 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 0.00 152 Q 8.32 3.75 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 153 E 7.33 4.24 0.00 2.09 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 2.26 2.59 0.00 154 A 7.64 4.13 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 0.00 155 Q 8.05 4.00 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 156 K 7.29 4.06 0.00 1.84 1.85 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.37 7.81 157 N 7.86 4.66 0.00 2.98 2.88 0.00 0.00 6.71 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.75 4.54 0.00 2.56 2.60 0.00 0.00 7.06 5.12 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 * Residues marked with a * may have inaccurate shift predictions.