NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3624 8.3231 115.4121 58.0046 64.3122 172.1042 30 G 3.7005 8.2698 109.6708 44.1803 0.0000 171.4962 31 I 3.5877 8.4266 119.8305 61.8926 38.1846 173.9221 32 S 4.6905 8.6293 119.6263 56.3005 63.8232 172.8100 33 L 4.7566 8.4265 127.2285 53.2269 44.4043 176.7439 34 D 4.9520 8.4005 121.9949 53.2977 40.3691 176.0660 35 N 4.6511 7.8368 114.9313 53.5107 40.0185 176.0485 36 S 4.6848 7.4828 111.7926 55.8737 66.0171 173.4963 37 Y 4.2257 8.3770 120.0453 57.9610 38.2009 176.1758 38 K 4.2095 8.8835 124.7795 57.0778 32.1283 176.1955 39 M 4.8961 8.7794 125.9972 55.2862 32.6114 175.7943 40 D 4.9270 7.9641 116.3673 53.2401 39.8782 175.9324 41 Y 4.1862 7.7314 116.8308 57.7405 38.4895 174.3801 42 P 4.4149 0.0000 0.0000 65.1061 31.6923 176.9620 43 E 4.7763 8.2604 116.1420 54.4505 32.8532 177.0047 44 M 3.7188 8.2689 121.7364 58.1560 32.4196 175.6931 45 G 4.3070 7.4025 102.3550 44.1002 0.0000 172.1558 46 L 4.8910 8.4935 118.8035 54.3223 43.7972 176.3311 47 C 4.5980 8.9020 121.6771 57.5745 33.8613 172.0801 48 I 4.5106 8.2309 127.8509 60.2054 38.4562 174.9202 49 I 4.5954 8.7651 129.0024 59.6690 39.4616 174.9168 50 I 4.5775 8.7774 129.8262 59.9821 38.7355 174.7551 51 N 4.9542 9.4488 128.5300 52.0725 39.8597 172.9762 52 N 4.8789 8.8083 124.2553 51.8967 39.0477 174.5297 53 K 4.3246 9.3365 125.9185 57.2187 33.6263 175.7938 54 N 5.2040 8.0387 114.8390 51.4037 40.2518 174.0744 55 F 4.7811 8.6395 121.1525 55.3276 41.8897 175.2197 56 H 4.3359 8.8243 120.5786 56.1315 29.2906 176.8448 57 K 3.8978 9.0430 123.6348 59.8871 31.6547 179.3686 58 S 4.1595 8.2383 113.0699 61.4675 62.6554 175.9340 59 T 4.2282 8.1497 112.3016 61.6365 69.1474 176.2152 60 G 3.9123 8.1523 108.3826 45.5698 0.0000 173.7711 61 M 3.8637 7.6251 120.3887 55.1655 32.3430 176.5450 62 T 4.1614 7.9739 113.7368 60.9050 69.9066 174.5611 63 S 4.6689 8.5249 118.4570 58.9755 64.0329 175.2808 64 R 4.3737 8.7738 124.0697 54.2458 28.4308 175.2198 65 S 4.2850 7.9918 115.7994 60.2284 63.6582 175.3317 66 G 4.0022 8.9520 112.8637 45.8220 0.0000 175.1459 67 T 3.8797 7.8105 113.7795 65.0376 67.1400 175.8164 68 D 4.3517 8.0758 120.7575 57.0897 40.7935 178.5795 69 V 3.5773 7.5652 118.9465 66.0238 31.4437 177.8462 70 D 4.3187 7.9988 117.8721 57.3501 40.7989 178.3820 71 A 3.9635 8.3480 121.3618 55.1552 18.3866 179.6060 72 A 3.9435 8.2631 119.4152 55.2011 18.3870 179.3212 73 N 4.2466 8.3470 115.6973 56.9042 38.9604 177.0872 74 L 4.0973 8.2677 120.6688 57.6992 41.7041 179.3983 75 R 3.9134 8.0932 118.6494 59.5215 30.0442 178.2484 76 E 3.9511 8.2647 118.9803 59.4708 29.3363 178.7549 77 T 3.7325 8.1436 116.0185 66.8779 68.5807 176.6365 78 F 3.8726 8.5776 119.3868 59.7731 38.8889 177.9561 79 R 3.9951 8.0421 119.0465 59.5380 29.7366 178.1077 80 N 4.5197 8.0844 114.3462 55.0833 38.5967 176.2307 81 L 4.4716 7.1470 118.6473 53.7583 42.0790 176.5169 82 K 3.9544 7.9796 117.3192 57.6042 29.7537 175.5761 83 Y 4.3522 8.0901 115.6230 57.2050 39.5228 175.8830 84 E 4.3094 9.2169 124.4715 55.4217 29.9528 174.9721 85 V 4.4053 8.2199 126.9267 62.2706 32.9016 175.2118 86 R 4.6008 8.9116 126.2261 54.5168 33.3754 173.7117 87 N 5.3467 8.8524 122.7632 51.9537 41.1982 174.0684 88 K 4.6738 9.1089 124.0686 54.7716 36.0765 174.9071 89 N 5.2240 8.8530 121.6357 52.1198 41.0028 174.6082 90 D 4.1796 8.1344 119.8208 55.2894 38.9262 173.3379 91 L 4.6845 8.6506 120.6405 53.4199 43.8127 177.6177 92 T 4.7509 9.2163 115.8583 60.5071 71.1481 175.9864 93 R 3.9686 9.3280 118.8421 59.5786 29.2074 178.9354 94 E 4.0208 8.1151 118.7657 59.2877 29.4814 178.9750 95 E 4.0220 8.2375 118.5879 59.1572 29.4859 179.4749 96 I 3.7259 7.9417 120.1035 64.3790 37.1599 178.6271 97 V 3.7474 7.7226 118.6957 66.0298 31.3057 177.6916 98 E 3.8177 8.3599 119.1681 58.9334 29.3623 178.4668 99 L 3.9013 8.1863 120.6956 58.5595 42.1686 178.9178 100 M 4.1980 8.0858 118.5372 58.2830 31.6653 178.7672 101 R 2.5286 7.1711 117.7622 59.0413 30.6069 177.9570 102 D 4.3683 8.0215 118.8965 57.4158 40.9388 179.0364 103 V 3.6547 8.0221 119.2434 65.9653 31.3410 178.1585 104 S 3.8297 7.7529 112.8405 60.5080 62.8571 175.8172 105 K 4.1439 7.3409 120.0146 56.6647 32.2274 176.9109 106 E 4.0394 7.1021 118.4427 55.9101 30.0171 176.1609 107 D 4.5746 8.2745 120.2530 53.8805 40.7470 175.1494 108 H 4.7457 8.5813 123.3328 55.7086 29.1367 177.3238 109 S 4.0787 8.5372 118.7334 61.8456 62.8653 175.8187 110 K 4.5740 8.0448 116.7505 56.3528 32.0454 175.5411 111 R 5.0595 7.6649 118.9486 54.6409 31.3104 176.9067 112 S 4.1236 8.9695 120.2259 61.4583 63.9640 173.7851 113 S 4.6551 8.0279 112.7403 57.6679 66.7706 173.0557 114 F 5.1282 8.8598 120.8477 56.6980 42.8321 173.7287 115 V 4.1105 7.4421 124.5371 60.8310 34.8926 173.5993 116 C 4.6295 8.0467 127.1629 57.3315 34.8952 172.4066 117 V 4.6809 8.8737 126.2498 61.0080 33.8500 173.9008 118 L 4.9614 9.0322 128.3023 52.9857 44.3051 175.3779 119 L 4.9738 8.4008 124.5215 53.9956 44.2705 175.5942 120 S 4.8455 8.2245 118.1192 58.3712 67.4431 174.9114 121 H 4.6810 8.7336 117.2031 55.9172 30.2224 174.6349 122 G 4.4323 8.1815 105.7808 46.6465 0.0000 171.3564 123 E 4.9576 8.4716 118.2846 54.2109 34.8456 174.8986 124 E 3.9327 8.8407 121.3029 58.0666 29.7714 176.9093 125 G 3.9519 9.0680 113.2571 45.7688 0.0000 172.2259 126 I 4.9326 7.9298 120.0769 59.1852 41.5073 174.1757 127 I 4.7941 8.3689 125.2077 59.2215 41.1985 173.9444 128 F 4.9885 8.9928 127.8286 56.3488 39.7576 176.5503 129 G 4.0576 9.6731 114.3987 44.5494 0.0000 174.3451 130 T 3.9149 8.5696 108.7062 63.3683 68.8299 175.5594 131 N 5.0014 8.7900 118.4305 50.7664 38.0531 174.0932 132 G 4.3155 7.7090 108.8771 44.7313 0.0000 169.9966 133 P 4.3846 0.0000 0.0000 62.2986 32.7965 176.0883 134 V 4.3619 8.1866 120.1318 61.0907 35.0559 174.2346 135 D 4.7574 8.7014 128.1220 54.2426 41.3556 177.5123 136 L 3.9335 8.9080 124.1150 57.7801 41.5497 179.7141 137 K 3.8636 7.8879 120.4316 58.6158 31.8589 178.5052 138 K 3.6850 7.5301 118.9038 59.4437 32.3892 178.6316 139 I 4.1946 7.6231 119.7142 64.8164 36.7207 178.4623 140 T 3.8829 8.1450 110.7460 64.5129 68.6012 176.3651 141 N 4.2893 8.2734 119.7536 56.1831 38.2160 177.1013 142 F 4.2231 7.3201 117.8160 59.7683 38.9350 176.5591 143 F 4.5550 7.8211 114.8153 56.0782 39.6777 176.1894 144 R 4.0911 7.4057 119.2681 56.2753 30.5607 177.8471 145 G 3.7673 8.8046 109.4933 48.3511 0.0000 174.0706 146 D 4.6717 8.0064 116.5425 53.5625 40.2130 176.9068 147 R 4.4602 7.8363 117.7189 56.5162 31.8088 176.0860 148 C 4.6684 7.4870 117.4844 56.7574 31.6237 173.8705 149 R 4.3701 8.4309 123.3377 58.0329 30.1525 178.5421 150 S 4.4921 8.0086 109.6414 59.1296 63.4669 174.2136 151 L 4.6308 7.8827 120.2193 54.4822 43.2682 176.4287 152 T 4.0425 7.4988 117.8210 65.0493 68.6612 175.3844 153 G 4.1524 9.0887 113.8051 45.3739 0.0000 173.0782 154 K 4.5570 7.7196 118.7926 53.3013 34.7111 174.1908 155 P 4.1361 0.0000 0.0000 62.7358 32.4717 175.0934 156 K 4.7218 8.6854 123.0670 54.7795 34.2834 175.2039 157 L 4.6380 8.7284 126.4608 52.8424 43.9248 175.7505 158 F 4.8778 8.8703 122.4139 55.7573 41.4976 174.7122 159 I 4.3549 8.6482 126.1694 59.7617 38.8819 174.9969 160 I 4.7927 8.4482 128.2231 59.6812 39.6520 175.3488 161 Q 4.4999 8.7752 130.4334 55.1304 29.6477 173.9871 162 A 4.8804 7.8355 125.1691 51.6033 21.8261 175.4594 163 C 4.3408 8.9682 117.1251 59.7149 29.0872 173.9834 164 R 4.5401 9.6602 118.8002 54.1407 30.9969 176.7181 165 G 3.9529 7.0339 105.6944 45.3707 0.0000 173.6991 166 T 4.5823 7.8897 112.1395 61.2829 69.1225 173.8768 167 E 4.2509 8.1357 120.6126 56.5914 30.2662 175.9717 168 L 4.6125 8.2553 121.1799 52.9313 44.1659 175.6698 169 D 4.6868 8.5297 123.0505 52.9890 41.1781 175.7982 170 C 4.1622 8.7131 124.4431 59.7514 28.6018 175.1814 171 G 3.9716 8.4383 110.4321 44.6513 0.0000 172.6337 172 I 4.5879 7.7723 116.9735 58.8617 40.9137 174.4178 173 E 4.0444 8.8403 127.3052 56.7514 29.8383 176.5043 174 T 4.3788 8.2089 115.3193 60.4683 71.5728 174.7851 *175 D 4.4254 8.4256 119.0172 53.6191 40.5341 171.7895 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 29 S 8.32 4.36 0.00 3.99 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 30 G 8.27 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 0.00 0.00 0.00 31 I 8.43 3.59 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 1.30 0.84 0.91 0.00 0.00 32 S 8.63 4.69 0.00 3.79 3.73 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 33 L 8.43 4.76 0.00 1.63 1.52 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.40 4.95 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.65 0.00 2.68 2.82 0.00 0.00 6.99 7.57 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 36 S 7.48 4.68 0.00 3.95 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 37 Y 8.38 4.23 0.00 3.08 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 38 K 8.88 4.21 0.00 1.80 1.99 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 39 M 8.78 4.90 0.00 2.07 2.09 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 2.60 2.77 0.00 40 D 7.96 4.93 0.00 2.73 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 41 Y 7.73 4.19 0.00 3.10 3.16 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 0.00 0.00 0.00 0.00 42 P 0.00 4.41 0.00 2.09 2.17 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 43 E 8.26 4.78 0.00 2.10 1.75 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 2.20 2.24 0.00 44 M 8.27 3.72 0.00 0.76 1.66 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 2.65 2.29 0.00 45 G 7.40 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 0.00 0.00 0.00 0.00 46 L 8.49 4.89 0.00 1.83 1.67 1.15 0.72 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 47 C 8.90 4.60 0.00 2.49 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.23 4.51 1.75 0.00 0.00 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 1.28 0.61 0.93 0.00 0.00 49 I 8.77 4.60 1.91 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.98 0.91 0.00 0.00 50 I 8.78 4.58 1.89 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 1.13 0.67 0.92 0.00 0.00 51 N 9.45 4.95 0.00 2.76 2.87 0.00 0.00 6.76 6.63 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 52 N 8.81 4.88 0.00 2.80 2.31 0.00 0.00 6.80 6.89 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 53 K 9.34 4.32 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.58 7.81 54 N 8.04 5.20 0.00 2.83 2.72 0.00 0.00 6.75 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 55 F 8.64 4.78 0.00 3.17 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 56 H 8.82 4.34 0.00 3.32 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.04 3.90 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.48 7.81 58 S 8.24 4.16 0.00 4.05 4.05 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 59 T 8.15 4.23 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 1.37 0.00 0.00 60 G 8.15 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 61 M 7.63 3.86 0.00 1.17 1.70 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.97 0.00 62 T 7.97 4.16 4.24 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 1.15 0.00 0.00 63 S 8.52 4.67 0.00 4.08 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 64 R 8.77 4.37 0.00 1.97 1.94 0.00 2.96 0.00 0.00 3.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 65 S 7.99 4.28 0.00 3.87 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 66 G 8.95 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 0.00 0.00 0.00 67 T 7.81 3.88 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 1.30 0.00 0.00 68 D 8.08 4.35 0.00 2.73 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 69 V 7.57 3.58 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 1.11 0.00 0.00 0.94 0.00 0.00 70 D 8.00 4.32 0.00 2.93 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 71 A 8.35 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 72 A 8.26 3.94 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 73 N 8.35 4.25 0.00 2.94 2.95 0.00 0.00 7.26 6.28 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 74 L 8.27 4.10 0.00 1.90 1.79 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.09 3.91 0.00 2.01 2.12 0.00 3.10 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 1.65 1.66 0.00 76 E 8.26 3.95 0.00 2.15 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 2.30 2.39 0.00 77 T 8.14 3.73 4.28 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 0.00 0.00 0.00 0.84 0.00 0.00 78 F 8.58 3.87 0.00 3.12 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 79 R 8.04 4.00 0.00 2.10 2.15 0.00 3.11 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 1.66 1.71 0.00 80 N 8.08 4.52 0.00 2.88 2.85 0.00 0.00 7.05 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 81 L 7.15 4.47 0.00 2.06 1.94 0.63 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.98 3.95 0.00 1.86 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 83 Y 8.09 4.35 0.00 3.15 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 84 E 9.22 4.31 0.00 2.05 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 2.30 2.27 0.00 85 V 8.22 4.41 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 1.11 0.00 0.00 86 R 8.91 4.60 0.00 1.75 1.77 0.00 3.18 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 N 8.85 5.35 0.00 2.68 2.68 0.00 0.00 7.00 6.68 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 88 K 9.11 4.67 0.00 1.62 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.54 7.81 89 N 8.85 5.22 0.00 2.55 2.67 0.00 0.00 7.34 8.06 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 90 D 8.13 4.18 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 91 L 8.65 4.68 0.00 1.65 1.57 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.22 4.75 4.55 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 1.23 0.00 0.00 93 R 9.33 3.97 0.00 2.03 2.45 0.00 2.82 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 94 E 8.12 4.02 0.00 2.10 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 2.42 2.48 0.00 95 E 8.24 4.02 0.00 2.24 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 0.00 2.33 2.36 0.00 96 I 7.94 3.73 2.07 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 1.44 1.14 0.99 0.00 0.00 97 V 7.72 3.75 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 1.28 0.00 0.00 1.10 0.00 0.00 98 E 8.36 3.82 0.00 2.13 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 0.00 2.38 2.26 0.00 99 L 8.19 3.90 0.00 1.86 1.91 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.09 4.20 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.02 0.00 101 R 7.17 2.53 0.00 0.86 1.74 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 102 D 8.02 4.37 0.00 2.82 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 0.00 103 V 8.02 3.65 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 1.28 0.00 0.00 1.05 0.00 0.00 104 S 7.75 3.83 0.00 3.45 2.75 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 0.00 105 K 7.34 4.14 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.51 7.81 106 E 7.10 4.04 0.00 2.03 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 2.30 2.38 0.00 107 D 8.27 4.57 0.00 2.61 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 0.00 108 H 8.58 4.75 0.00 3.33 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.54 4.08 0.00 3.90 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 0.00 110 K 8.04 4.57 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.49 7.81 111 R 7.66 5.06 0.00 1.76 1.81 0.00 3.17 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 112 S 8.97 4.12 0.00 3.87 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 0.00 113 S 8.03 4.66 0.00 4.01 3.94 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 0.00 114 F 8.86 5.13 0.00 3.01 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 0.00 115 V 7.44 4.11 1.29 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 0.07 0.00 0.00 0.31 0.00 0.00 116 C 8.05 4.63 0.00 2.32 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 0.00 0.00 0.00 117 V 8.87 4.68 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 0.93 0.00 0.00 0.56 0.00 0.00 118 L 9.03 4.96 0.00 1.63 1.60 1.02 0.35 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 0.00 119 L 8.40 4.97 0.00 1.65 1.59 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.22 4.85 0.00 4.03 3.85 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 0.00 0.00 0.00 121 H 8.73 4.68 0.00 2.95 3.01 0.00 5.71 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 0.00 122 G 8.18 4.43 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 0.00 123 E 8.47 4.96 0.00 1.97 1.87 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 2.35 2.60 0.00 124 E 8.84 3.93 0.00 2.10 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 2.29 2.38 0.00 125 G 9.07 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 0.00 126 I 7.93 4.93 1.73 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 1.12 1.31 0.40 0.00 0.00 127 I 8.37 4.79 1.89 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 1.32 1.58 0.99 0.00 0.00 128 F 8.99 4.99 0.00 3.31 3.21 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 0.00 0.00 0.00 0.00 129 G 9.67 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 0.00 130 T 8.57 3.91 4.07 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 0.98 0.00 0.00 131 N 8.79 5.00 0.00 3.00 2.65 0.00 0.00 6.82 6.88 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 0.00 132 G 7.71 4.32 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 0.00 133 P 0.00 4.38 0.00 1.76 1.41 0.00 3.79 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 1.93 1.96 0.00 134 V 8.19 4.36 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 0.94 0.00 0.00 135 D 8.70 4.76 0.00 2.61 2.51 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 0.00 0.00 0.00 0.00 136 L 8.91 3.93 0.00 1.61 1.63 0.87 0.72 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 0.00 137 K 7.89 3.86 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.53 3.68 0.00 1.72 2.02 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.19 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.53 7.81 139 I 7.62 4.19 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.76 1.20 0.00 0.00 140 T 8.14 3.88 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 0.26 0.00 0.00 141 N 8.27 4.29 0.00 2.45 2.67 0.00 0.00 6.86 8.43 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 0.00 142 F 7.32 4.22 0.00 2.97 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 0.00 143 F 7.82 4.55 0.00 3.33 3.16 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 0.00 0.00 0.00 0.00 144 R 7.41 4.09 0.00 1.96 2.05 0.00 3.18 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 145 G 8.80 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 0.00 0.00 0.00 146 D 8.01 4.67 0.00 2.79 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 0.00 147 R 7.84 4.46 0.00 1.78 1.97 0.00 3.24 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 148 C 7.49 4.67 0.00 2.90 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 0.00 149 R 8.43 4.37 0.00 1.88 1.98 0.00 3.77 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 150 S 8.01 4.49 0.00 4.00 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 0.00 151 L 7.88 4.63 0.00 1.82 1.67 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.50 4.04 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 1.25 0.00 0.00 153 G 9.09 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 0.00 154 K 7.72 4.56 0.00 1.81 1.75 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.31 7.81 155 P 0.00 4.14 0.00 1.85 1.23 0.00 3.50 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.48 0.00 156 K 8.69 4.72 0.00 1.79 2.01 0.00 1.95 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.66 7.81 157 L 8.73 4.64 0.00 1.22 1.44 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.87 4.88 0.00 2.84 2.96 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 0.00 0.00 0.00 159 I 8.65 4.35 1.78 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 1.06 0.90 0.92 0.00 0.00 160 I 8.45 4.79 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.95 0.00 0.00 161 Q 8.78 4.50 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 162 A 7.84 4.88 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 0.00 163 C 8.97 4.34 0.00 3.16 3.09 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 0.00 164 R 9.66 4.54 0.00 1.76 2.07 0.00 3.30 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 165 G 7.03 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 0.00 166 T 7.89 4.58 4.24 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 1.21 0.00 0.00 167 E 8.14 4.25 0.00 1.99 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 2.31 2.33 0.00 168 L 8.26 4.61 0.00 1.59 1.55 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.53 4.69 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 C 8.71 4.16 0.00 3.00 2.96 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 0.00 0.00 0.00 171 G 8.44 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 0.00 172 I 7.77 4.59 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 1.41 0.76 0.91 0.00 0.00 173 E 8.84 4.04 0.00 2.00 1.87 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 2.31 2.30 0.00 174 T 8.21 4.38 4.24 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 1.21 0.00 0.00 *175 D 8.43 4.43 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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.