NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.4034 8.4293 120.2271 55.9123 31.7985 176.4922 33 L 4.6048 7.4684 115.3245 52.7234 42.1840 176.7930 34 S 4.1761 8.9802 116.5034 61.6081 63.6154 177.4881 35 Q 3.9674 8.1500 121.2466 58.7758 28.4896 178.1293 36 E 3.9599 8.0253 119.8479 59.4484 29.6798 178.9683 37 R 4.0897 7.9986 117.6766 59.3214 30.0786 179.1330 38 T 3.9274 8.3001 115.8495 66.4971 68.3340 176.6618 39 A 4.0619 8.2145 122.8190 54.9247 18.3757 179.6656 40 R 3.8799 8.0674 117.5175 59.6210 30.1566 178.8075 41 L 4.0240 7.8826 118.6066 57.7267 41.5633 179.1814 42 N 4.3325 8.0380 116.2374 56.2597 38.4943 177.0135 43 E 3.9402 8.4747 120.9363 59.2410 29.6574 178.6365 44 L 4.0012 8.0662 120.3639 58.2625 42.0334 179.0218 45 Q 3.9826 8.1815 118.1270 58.8481 28.7369 178.7057 46 R 3.9116 8.2194 119.0011 59.1790 30.1136 178.9816 47 A 4.0477 7.9970 120.3178 55.2610 18.4110 179.6814 48 L 3.9905 8.1752 117.7884 58.0634 41.7715 180.0429 49 V 3.7093 8.1864 118.4220 66.1454 31.5438 178.0470 50 M 4.2219 8.0036 119.7132 58.1533 31.7294 178.6345 51 M 4.5095 8.3116 120.2387 57.9237 32.1141 178.4685 52 D 4.5407 8.7289 119.8578 57.5161 40.5702 179.0249 53 S 4.2966 8.2712 114.0794 60.6113 63.0641 175.7824 54 D 4.5474 7.5814 121.2532 56.6288 41.1578 178.8419 55 F 3.8614 8.1861 116.7889 59.9781 38.9778 177.1480 56 R 4.2697 7.8071 118.6856 57.9665 30.3115 176.7902 57 Q 4.8534 7.6406 117.5208 55.3406 29.7011 175.8130 58 I 4.3381 7.9110 120.0848 61.4212 37.6747 176.2505 59 A 4.2727 8.6971 129.8475 51.0655 19.3568 178.3575 60 L 4.3532 8.1973 122.3868 53.2110 40.2706 176.1047 61 R 4.6150 7.3668 118.3176 54.4192 33.6526 174.1708 62 Q 4.5477 8.7375 124.6224 56.0975 29.6709 175.5053 63 T 4.6370 8.8955 113.7937 59.9570 72.1573 172.9094 64 R 4.7356 7.6420 122.9605 56.5992 32.2111 173.1639 65 T 3.7903 9.0227 119.7832 62.3855 66.6123 173.4734 *70 P 4.5876 0.0000 0.0000 62.0487 32.1500 176.4286 71 S 4.6897 8.4804 117.5755 57.0511 68.6210 173.5534 72 K 4.9406 8.5207 122.2447 55.0145 34.4528 175.0667 73 K 4.6621 8.7290 125.7914 55.0100 36.8282 178.0062 74 L 4.0316 8.7224 120.3694 57.2179 41.9431 177.4882 75 L 4.9483 7.8695 117.3583 53.2641 44.1181 175.5587 76 H 4.9357 9.5499 122.2876 54.4294 30.7550 174.6925 77 W 5.7316 8.7706 132.9534 57.3193 33.0019 172.9232 78 A 4.1776 8.0869 127.9155 50.8464 23.0113 174.6126 79 D 4.1093 8.1222 118.8242 55.0346 41.9324 177.0349 80 Y 4.3694 8.5081 118.2384 58.1597 36.3064 169.8946 81 L 4.1350 7.3623 122.1028 56.0929 42.5940 176.9520 82 L 3.9515 9.1959 123.6193 55.8114 39.1073 173.6603 83 D 4.4355 8.4277 113.8824 55.1824 39.6629 173.5791 84 S 4.5623 7.7831 110.7408 57.7721 63.1268 174.6152 85 D 4.6769 9.2407 126.7826 56.7228 42.4785 176.6446 86 N 5.2203 7.8768 112.3631 52.9246 38.8310 178.2311 87 K 4.2838 8.3497 113.2045 56.0292 32.9850 175.6485 88 G 4.4246 8.6378 109.1382 44.6469 0.0000 171.2968 89 I 5.6434 9.1293 122.8481 59.6073 41.9188 173.8016 90 M 5.3626 9.2838 126.5435 54.5389 36.1775 173.3763 91 F 5.2168 8.7266 119.2011 55.9908 42.1215 172.6917 92 A 4.7814 8.6896 120.9754 51.6631 20.0429 176.4310 93 R 5.0104 9.4414 120.9732 54.4225 34.0044 173.8948 94 L 4.9250 8.9941 128.2757 53.5784 43.2312 175.6105 95 G 4.2426 9.1786 114.2914 44.4453 0.0000 173.2609 96 W 4.7265 8.8719 118.7855 56.5828 32.1735 175.9468 97 H 5.0017 7.9956 114.1709 54.7724 28.7800 174.4687 98 N 4.5578 8.0050 119.2000 52.6042 39.2575 173.4753 99 P 4.7202 0.0000 0.0000 64.4794 31.9816 177.3552 100 Q 4.1385 8.3670 120.8924 58.6624 28.8340 176.9684 101 Q 4.5590 7.5842 116.5564 54.8656 29.0568 174.0277 102 Q 4.3872 8.1154 124.9895 55.0121 27.6706 175.9938 103 F 4.3556 8.4459 117.9301 58.3127 42.0903 175.9333 *106 G 3.0438 7.8982 105.9227 45.6887 0.0000 172.0261 107 E 4.6148 8.5061 126.3260 54.5143 33.4209 173.8356 108 V 4.7466 8.3721 127.0694 61.7627 32.9186 174.8686 109 T 4.7858 9.0835 117.5696 59.7745 72.8407 172.8641 110 K 4.6793 8.5611 124.0927 56.3770 33.8764 175.8495 111 V 5.2395 8.8743 119.1236 60.3688 36.7716 174.1566 112 G 4.4647 8.6371 107.8220 46.0581 0.0000 171.7732 113 Y 5.5114 9.1818 117.5277 56.4762 42.5642 174.8826 114 R 4.7003 8.9818 117.1298 55.8781 33.9601 173.2436 115 I 5.0826 8.5985 119.9571 59.4433 40.1440 175.4404 116 K 4.8509 8.7964 127.3129 56.0528 35.1958 175.7287 117 D 4.6804 9.5333 126.6830 56.0709 38.9926 173.1561 118 E 4.2962 8.1103 110.5387 56.6629 27.7358 174.5020 119 R 5.0718 7.5963 115.4871 54.0417 34.1906 175.1302 120 L 4.7601 9.0659 126.4773 55.1915 43.4230 175.3755 121 E 5.1958 9.4973 125.8066 54.5488 33.4134 174.7760 122 R 4.2170 8.9709 124.8582 55.1131 31.9286 174.9271 123 V 4.5539 8.4406 126.3336 60.7149 34.1378 173.9918 124 W 5.2367 8.3592 135.0000 55.3697 33.9152 173.5963 125 W 4.4562 8.7813 127.4182 55.1233 29.1268 176.5258 126 R 2.7851 7.9181 124.9264 57.5915 29.7654 176.3758 127 Y 4.7786 7.0936 112.8391 55.0049 40.7587 173.6949 128 P 4.4780 0.0000 0.0000 62.2359 32.0897 176.6341 129 D 4.5390 8.2808 120.4784 55.1414 41.6181 175.8774 130 T 4.4888 8.1803 113.8820 60.2274 70.1525 172.3024 131 P 4.2209 0.0000 0.0000 66.0570 31.1233 177.2653 132 A 3.9115 7.9881 120.5135 53.1260 18.4566 177.9368 133 G 3.9036 9.8867 102.9042 45.2537 0.0000 172.0432 134 Q 4.4854 7.8960 114.0031 54.7868 30.9391 173.6973 135 E 4.0850 8.6960 120.6876 55.5997 29.3589 176.5938 136 G 3.3302 8.3214 114.0849 45.9932 0.0000 172.6368 137 V 4.1461 8.1351 123.3250 61.1808 32.5941 174.5713 138 V 4.4710 8.0906 128.6034 61.9220 32.6795 175.1142 139 T 4.6483 8.8909 125.2126 60.7581 71.6262 171.6526 140 P 4.6932 0.0000 0.0000 63.3171 31.3573 175.9347 141 L 4.4949 9.1454 125.2580 56.0266 43.1234 177.1077 142 L 4.9890 7.6447 120.2727 53.3076 45.3500 176.4361 143 S 4.6832 9.1467 121.3437 57.7570 64.7011 172.9823 144 D 4.2678 8.3515 117.2667 55.6867 38.2208 174.5863 145 V 4.6348 7.8152 118.5974 61.2156 33.0291 175.4661 146 E 4.0685 9.0599 127.8073 59.1353 29.6855 177.2720 147 E 4.8763 8.1515 117.7632 54.3089 33.8967 174.0402 148 L 5.1975 8.8321 123.9151 53.4991 44.6457 175.0100 149 N 5.5138 9.1136 123.2735 52.3407 42.9355 173.0800 150 V 4.4612 8.2460 123.9423 60.9844 34.6206 174.4784 151 R 4.4861 8.2954 125.5672 54.1900 33.9356 174.4528 152 F 5.2282 8.8598 120.6274 55.8547 42.2418 173.6096 153 Y 4.3337 8.5621 125.8336 55.8747 39.7028 175.2165 154 D 4.8531 7.8696 125.7449 53.1624 39.9010 175.7224 155 G 3.8511 6.6015 109.3349 45.5798 0.0000 175.0386 156 K 4.3814 7.1136 116.6905 57.1830 34.3881 176.2341 157 Q 4.8104 7.6485 113.6514 54.7997 31.3726 173.2934 158 W 4.8011 9.1668 120.7407 56.6270 29.8480 175.8049 159 I 4.7938 9.2292 116.4333 58.9019 39.9883 175.8580 160 N 4.5902 8.9030 118.6121 55.2660 39.1374 173.9422 161 E 5.3900 8.2870 115.1237 54.4313 33.4247 175.4349 162 W 4.8783 8.3281 128.7974 56.0497 31.0016 174.1301 163 S 4.0986 7.9079 119.1150 59.2212 63.3237 174.3987 164 N 4.0529 6.5963 119.3279 53.4837 37.9579 174.0492 165 E 4.3419 8.4243 125.1153 57.0390 30.3741 177.6148 166 L 4.3033 8.0160 118.8842 56.3954 42.3527 176.9264 167 T 4.7531 7.6083 109.8866 59.9199 70.5502 173.0653 168 L 4.4395 8.3614 126.1521 53.4191 42.6390 175.1793 169 P 3.9510 0.0000 0.0000 61.9815 32.3087 176.2226 170 A 4.2215 8.1302 122.2861 54.9424 19.3744 177.4286 171 A 5.0886 7.6202 114.4918 50.5011 23.4234 175.2165 172 I 4.9331 9.1278 120.4373 59.5347 41.1409 174.6068 173 S 4.8542 9.3235 122.5392 56.5361 64.1699 172.8623 174 V 4.1567 8.2103 129.0493 61.7575 32.7771 174.1118 175 E 4.8813 9.3905 130.1707 54.4423 31.7868 174.2286 176 L 5.1199 8.9172 127.6855 53.4291 44.4964 175.8246 177 T 4.7955 8.6794 121.3451 62.3321 69.4453 174.0020 178 L 4.8141 8.9524 127.6511 53.5283 43.0211 178.8201 179 K 4.0085 8.8507 122.3928 59.2397 32.4275 178.4539 180 D 4.3779 8.0428 116.9859 55.5978 39.9863 177.0530 181 Y 4.4501 7.7967 115.0175 57.1059 39.7132 177.7443 182 G 3.9100 8.1373 107.9889 45.3849 0.0000 173.2043 183 K 4.8022 8.5788 123.7741 56.0448 32.9317 176.6877 184 I 4.6194 9.0149 118.8992 58.8902 40.4316 174.3650 185 A 5.1393 8.5090 126.4410 50.0420 22.2669 175.1943 186 R 4.2436 8.4907 119.7035 54.8138 33.4564 174.0917 187 T 4.7650 8.0816 122.5764 62.4402 70.5120 173.7160 188 Y 4.8235 8.9478 122.7549 56.2031 41.6336 174.6083 189 L 4.8658 8.7963 124.5350 54.2651 43.0989 176.9314 190 T 4.2520 8.2342 112.6595 61.8492 68.6336 174.5873 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 32 E 8.43 4.40 0.00 1.98 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 0.00 2.21 2.31 0.00 33 L 7.47 4.60 0.00 1.84 1.84 0.91 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.98 4.18 0.00 4.08 4.18 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 0.00 0.00 0.00 35 Q 8.15 3.97 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 36 E 8.03 3.96 0.00 2.08 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 2.37 2.55 0.00 37 R 8.00 4.09 0.00 1.93 2.02 0.00 3.44 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 38 T 8.30 3.93 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 1.22 0.00 0.00 39 A 8.21 4.06 1.42 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 0.00 0.00 40 R 8.07 3.88 0.00 2.12 2.24 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 41 L 7.88 4.02 0.00 1.85 1.67 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.04 4.33 0.00 2.92 2.87 0.00 0.00 6.63 8.92 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 43 E 8.47 3.94 0.00 2.15 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 0.00 2.34 2.35 0.00 44 L 8.07 4.00 0.00 1.83 1.79 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.18 3.98 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 46 R 8.22 3.91 0.00 2.06 2.01 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 47 A 8.00 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 48 L 8.18 3.99 0.00 1.71 1.76 0.91 1.11 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 49 V 8.19 3.71 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 1.06 0.00 0.00 0.97 0.00 0.00 50 M 8.00 4.22 0.00 2.23 2.34 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 2.65 2.70 0.00 51 M 8.31 4.51 0.00 2.15 2.36 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 2.70 1.94 0.00 52 D 8.73 4.54 0.00 3.04 2.85 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 53 S 8.27 4.30 0.00 4.10 4.16 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 54 D 7.58 4.55 0.00 3.00 2.85 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 55 F 8.19 3.86 0.00 1.80 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 0.00 0.00 0.00 0.00 56 R 7.81 4.27 0.00 2.02 2.07 0.00 3.36 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 57 Q 7.64 4.85 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 58 I 7.91 4.34 1.78 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.38 0.81 0.00 0.00 59 A 8.70 4.27 1.21 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 0.00 0.00 60 L 8.20 4.35 0.00 1.68 1.68 0.95 0.85 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 61 R 7.37 4.62 0.00 1.71 1.75 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 62 Q 8.74 4.55 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 63 T 8.90 4.64 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 1.14 0.00 0.00 64 R 7.64 4.74 0.00 1.80 1.74 0.00 3.20 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 65 T 9.02 3.79 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 1.33 0.00 0.00 *70 P 0.00 4.59 0.00 2.01 2.05 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 71 S 8.48 4.69 0.00 3.77 3.71 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 72 K 8.52 4.94 0.00 1.70 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.44 7.81 73 K 8.73 4.66 0.00 1.34 1.56 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.30 7.81 74 L 8.72 4.03 0.00 1.74 1.80 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.87 4.95 0.00 1.59 1.64 0.51 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.55 4.94 0.00 3.37 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.77 5.73 0.00 3.62 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 78 A 8.09 4.18 1.13 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 0.00 0.00 0.00 0.00 0.00 79 D 8.12 4.11 0.00 2.09 1.54 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 80 Y 8.51 4.37 0.00 3.10 2.97 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 81 L 7.36 4.14 0.00 1.86 1.69 0.99 0.82 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 82 L 9.20 3.95 0.00 1.97 1.87 1.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.43 4.44 0.00 2.81 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 84 S 7.78 4.56 0.00 4.11 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 85 D 9.24 4.68 0.00 2.80 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 86 N 7.88 5.22 0.00 2.78 2.17 0.00 0.00 6.31 7.20 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 87 K 8.35 4.28 0.00 1.79 1.15 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.51 7.81 88 G 8.64 4.42 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 0.00 0.00 0.00 89 I 9.13 5.64 2.63 0.00 0.00 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 1.78 2.55 1.54 0.00 0.00 90 M 9.28 5.36 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 91 F 8.73 5.22 0.00 3.04 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 92 A 8.69 4.78 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 93 R 9.44 5.01 0.00 1.87 1.96 0.00 3.22 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 94 L 8.99 4.93 0.00 1.61 1.57 0.47 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.18 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 0.00 0.00 0.00 0.00 96 W 8.87 4.73 0.00 2.89 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 97 H 8.00 5.00 0.00 3.15 3.30 0.00 5.89 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.00 4.56 0.00 2.81 2.80 0.00 0.00 6.81 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 99 P 0.00 4.72 0.00 2.24 2.19 0.00 3.49 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 100 Q 8.37 4.14 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 101 Q 7.58 4.56 0.00 2.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 102 Q 8.12 4.39 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 103 F 8.45 4.36 0.00 2.99 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 *106 G 7.90 3.04 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 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.51 4.61 0.00 1.90 1.66 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 2.17 2.21 0.00 108 V 8.37 4.75 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 0.86 0.00 0.00 0.85 0.00 0.00 109 T 9.08 4.79 4.50 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 1.27 0.00 0.00 110 K 8.56 4.68 0.00 1.69 1.59 0.00 1.05 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.19 7.81 111 V 8.87 5.24 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 0.80 0.00 0.00 0.33 0.00 0.00 112 G 8.64 4.46 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 0.00 113 Y 9.18 5.51 0.00 3.22 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 0.00 114 R 8.98 4.70 0.00 1.98 2.13 0.00 2.80 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 115 I 8.60 5.08 1.96 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 1.23 1.03 1.04 0.00 0.00 116 K 8.80 4.85 0.00 1.87 1.70 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.46 7.81 117 D 9.53 4.68 0.00 2.87 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 0.00 118 E 8.11 4.30 0.00 2.19 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 2.33 2.29 0.00 119 R 7.60 5.07 0.00 1.93 1.81 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 120 L 9.07 4.76 0.00 1.85 1.64 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.50 5.20 0.00 1.93 1.77 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 2.23 2.41 0.00 122 R 8.97 4.22 0.00 1.62 1.61 0.00 2.93 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.00 123 V 8.44 4.55 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 -0.02 0.00 0.00 0.82 0.00 0.00 124 W 8.36 5.24 0.00 3.17 2.83 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 0.00 125 W 8.78 4.46 0.00 3.27 2.95 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 0.00 126 R 7.92 2.79 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 127 Y 7.09 4.78 0.00 2.91 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 0.00 128 P 0.00 4.48 0.00 2.04 1.97 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 129 D 8.28 4.54 0.00 2.61 2.55 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 0.00 130 T 8.18 4.49 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 1.25 0.00 0.00 131 P 0.00 4.22 0.00 2.20 2.20 0.00 3.82 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 1.99 1.99 0.00 132 A 7.99 3.91 1.28 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 0.00 0.00 0.00 133 G 9.89 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.90 4.49 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 135 E 8.70 4.08 0.00 1.95 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 2.26 2.27 0.00 136 G 8.32 3.33 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 0.00 137 V 8.14 4.15 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 0.97 0.00 0.00 0.89 0.00 0.00 138 V 8.09 4.47 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 0.80 0.00 0.00 0.81 0.00 0.00 139 T 8.89 4.65 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 1.19 0.00 0.00 140 P 0.00 4.69 0.00 2.09 2.09 0.00 3.75 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 1.99 2.01 0.00 141 L 9.15 4.49 0.00 1.74 1.85 0.99 1.12 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 0.00 142 L 7.64 4.99 0.00 1.76 1.51 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.15 4.68 0.00 4.06 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 0.00 144 D 8.35 4.27 0.00 2.84 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 0.00 145 V 7.82 4.63 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 1.05 0.00 0.00 1.08 0.00 0.00 146 E 9.06 4.07 0.00 2.05 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 2.51 2.31 0.00 147 E 8.15 4.88 0.00 1.91 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 2.32 2.30 0.00 148 L 8.83 5.20 0.00 1.75 1.68 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 149 N 9.11 5.51 0.00 2.94 2.59 0.00 0.00 6.35 6.99 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 0.00 150 V 8.25 4.46 0.67 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 0.16 0.00 0.00 0.64 0.00 0.00 151 R 8.30 4.49 0.00 1.58 1.98 0.00 3.06 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 152 F 8.86 5.23 0.00 3.06 2.44 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 0.00 153 Y 8.56 4.33 0.00 1.43 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 0.00 0.00 0.00 154 D 7.87 4.85 0.00 2.97 2.97 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 0.00 155 G 6.60 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 0.00 0.00 0.00 156 K 7.11 4.38 0.00 1.64 1.82 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.30 7.81 157 Q 7.65 4.81 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 158 W 9.17 4.80 0.00 3.38 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 0.00 159 I 9.23 4.79 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 1.03 0.00 0.00 160 N 8.90 4.59 0.00 2.86 3.07 0.00 0.00 6.75 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 0.00 161 E 8.29 5.39 0.00 2.13 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 2.36 0.00 162 W 8.33 4.88 0.00 1.92 2.36 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 0.00 163 S 7.91 4.10 0.00 3.88 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 0.00 164 N 6.60 4.05 0.00 1.79 1.63 0.00 0.00 6.99 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 0.00 165 E 8.42 4.34 0.00 1.94 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 2.22 2.44 0.00 166 L 8.02 4.30 0.00 1.76 1.70 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.61 4.75 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 1.30 0.00 0.00 168 L 8.36 4.44 0.00 1.67 1.46 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 3.95 0.00 1.74 0.49 0.00 3.31 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.00 170 A 8.13 4.22 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 0.00 171 A 7.62 5.09 1.11 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 0.00 0.00 0.00 172 I 9.13 4.93 1.97 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 1.12 0.64 0.84 0.00 0.00 173 S 9.32 4.85 0.00 3.25 3.33 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 0.00 174 V 8.21 4.16 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 0.72 0.00 0.00 -0.01 0.00 0.00 175 E 9.39 4.88 0.00 1.87 1.70 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 2.13 2.13 0.00 176 L 8.92 5.12 0.00 1.58 1.56 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.68 4.80 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 1.23 0.00 0.00 178 L 8.95 4.81 0.00 1.64 1.75 1.07 0.75 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 0.00 179 K 8.85 4.01 0.00 1.72 1.85 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.55 7.81 180 D 8.04 4.38 0.00 2.27 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.80 4.45 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 0.00 182 G 8.14 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 0.00 183 K 8.58 4.80 0.00 1.63 1.73 0.00 1.66 0.00 0.00 2.05 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.43 7.81 184 I 9.01 4.62 1.79 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 1.27 1.25 0.86 0.00 0.00 185 A 8.51 5.14 0.99 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 0.00 0.00 186 R 8.49 4.24 0.00 1.61 1.38 0.00 2.94 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 187 T 8.08 4.77 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 1.36 0.00 0.00 188 Y 8.95 4.82 0.00 2.80 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 0.00 189 L 8.80 4.87 0.00 1.57 1.62 0.93 0.91 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 0.00 190 T 8.23 4.25 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.