NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.6782 8.2785 118.2195 52.2721 38.7561 174.9474 23 A 4.6421 8.3837 122.7003 54.3628 18.0212 178.8246 24 S 4.0920 7.9497 116.0303 61.7554 63.4027 175.1309 25 A 3.9614 7.9492 123.0085 55.2493 18.2050 179.1054 26 E 3.8904 8.2779 116.7097 59.8373 29.4268 179.0957 27 D 4.2698 7.7755 117.5669 57.4628 41.4130 178.2278 28 V 3.5906 7.4873 118.6656 66.2854 31.4421 177.4483 29 L 3.9687 7.9929 118.5528 58.2787 41.5898 179.4277 30 N 4.4615 8.4005 116.4133 55.7099 37.2442 177.0909 31 L 4.1049 7.8338 121.5275 57.4149 41.3726 179.1395 32 L 4.2277 7.8772 119.0645 57.9259 41.5590 179.7197 33 R 4.0365 8.2239 118.0697 59.3377 29.8518 179.1238 34 Q 3.9736 8.0820 117.7057 58.8650 28.6128 178.6534 35 A 3.8900 7.8852 121.5685 54.7391 18.2252 179.3076 36 H 3.8293 7.3087 118.2299 58.6986 29.8478 177.0994 37 E 3.9430 7.8990 117.9460 58.0205 29.2867 178.0464 38 Q 4.3727 7.1718 117.0187 55.0262 29.1541 175.5503 39 E 3.8132 7.8927 118.5120 56.9856 27.4785 175.8953 40 V 3.7194 7.8390 121.6210 65.4027 31.3163 175.9790 41 F 4.9613 6.7635 112.4392 54.3529 40.8892 172.9886 42 D 4.7282 8.5858 121.5906 52.1879 42.1613 176.9771 43 A 3.8365 8.5200 120.7583 55.4463 18.1485 179.4993 44 D 4.2934 8.1249 116.7647 57.8634 40.9106 178.9959 45 T 3.7613 8.4860 116.3633 66.3737 68.4492 176.2529 46 L 3.9018 7.9999 122.2904 58.1520 42.0114 178.7414 47 L 3.9942 7.9880 119.9610 58.3566 42.0060 178.9699 48 R 3.8627 7.8134 117.8280 59.3068 30.0977 179.0696 49 L 3.8356 8.0749 118.7780 57.7589 41.5872 179.0907 50 E 3.8504 8.4167 118.8115 59.5332 29.4940 179.5266 51 K 3.1978 8.1094 118.4325 59.5647 31.9509 179.5451 52 V 3.6478 7.6029 116.6100 66.4014 31.5682 176.7982 53 L 4.2090 7.9048 119.2906 55.6992 41.2802 178.3400 54 D 4.6485 8.1320 123.4733 57.2105 41.1456 178.3144 55 F 5.2121 8.1482 117.0836 57.2841 39.5229 177.0393 56 S 4.4120 8.8230 116.9165 59.9244 63.1895 174.2953 57 D 4.7867 7.9696 119.7723 53.0922 39.6895 176.2967 58 L 4.4362 7.4174 119.0489 54.6680 42.7651 175.6642 59 E 5.0897 9.5193 120.3288 54.0349 33.3053 177.3503 60 V 3.5177 9.0353 120.8683 66.3256 31.5804 178.1113 61 R 3.8558 8.0194 118.6357 59.6729 29.8160 177.0432 62 D 4.4144 8.4244 116.2261 55.8261 41.4242 176.5652 63 A 4.4931 7.5392 122.0303 50.0508 18.4043 174.7255 *65 I 3.9504 7.3448 120.6469 60.4219 39.3872 176.4037 66 T 4.2205 8.4246 121.7393 61.7922 68.2836 174.5822 67 R 3.9489 8.4106 126.7386 60.0188 29.7188 178.2722 68 S 4.2276 8.2744 112.7357 60.9160 63.0267 174.6523 69 R 4.1561 7.6844 119.7393 54.5285 28.4580 174.1373 *71 N 4.7182 8.1856 117.4444 53.1289 39.4458 174.3700 72 V 4.9835 8.5224 115.3236 59.5295 35.8439 174.8473 73 L 4.7451 8.6413 121.5948 52.9039 44.5863 176.3135 74 K 4.4760 8.4626 122.9782 55.7549 33.0845 177.8385 75 E 3.9246 9.0527 123.1572 59.2109 29.4602 178.2578 76 N 4.9139 7.8868 113.1442 52.5912 39.0950 174.7509 77 D 4.5210 7.6970 118.8922 54.0999 41.5853 177.1556 78 S 4.4483 8.3151 116.8135 58.0221 65.2219 175.0341 79 I 2.6778 8.1494 122.2848 64.0319 37.4298 177.9592 80 E 3.8141 7.8721 118.8032 59.2968 29.4180 179.1509 81 R 3.7996 7.8481 118.5553 59.4044 30.1109 178.2702 82 I 3.6189 7.7095 119.6990 64.9461 37.1078 178.4942 83 T 3.7163 7.9737 116.2178 66.5767 68.2382 176.6457 84 A 3.9503 7.9604 122.7150 55.1482 18.2869 179.1361 85 Y 3.9773 8.0609 118.1129 60.7811 38.9213 178.2409 86 V 3.1624 7.9037 119.4493 66.0726 31.3836 178.1195 87 I 3.7172 7.6284 118.3350 64.1615 36.9104 177.6894 88 D 4.4002 7.6751 118.6604 57.3640 41.1695 178.0272 89 T 3.8629 7.9887 110.1367 62.1586 68.7048 175.7494 90 A 3.8222 7.8338 121.6982 53.0491 16.6368 177.1760 91 H 4.5435 7.4696 116.0121 56.9398 29.6186 175.4710 92 S 4.7358 8.2653 113.8308 59.0742 64.7098 174.0414 93 R 5.1918 7.4690 118.0986 54.3634 33.9487 174.6864 94 F 4.7898 9.3816 120.8952 54.9283 43.1886 172.7485 95 P 4.8003 0.0000 0.0000 62.7817 32.7386 175.1626 96 V 4.9809 9.1615 123.8900 61.1571 33.8664 174.5391 97 I 4.9316 8.8628 121.3493 60.2364 40.8372 176.9482 98 G 3.8931 9.1659 113.4127 46.4637 0.0000 175.1043 99 E 4.2121 7.2881 120.3918 59.0844 30.4526 176.6910 100 D 4.5308 7.3368 116.2173 52.5897 41.5051 175.5550 101 K 4.0833 8.6631 117.4803 59.2002 32.0427 177.6291 102 D 4.7144 8.2275 116.8676 54.1738 41.0823 176.4535 103 E 4.5055 8.2862 121.7414 53.9354 29.5234 172.7777 104 V 4.4920 8.1104 121.9984 61.4530 32.6209 175.7923 105 L 4.4248 9.6264 127.8043 54.3610 42.6319 176.6018 106 G 4.0618 6.8201 103.1549 46.4458 0.0000 170.6914 107 I 5.1535 8.0763 120.2410 59.3371 40.5926 174.7212 108 L 4.9828 9.3696 128.5038 53.7628 44.4517 174.6115 109 H 5.1734 8.9109 123.0688 54.7574 29.9890 175.7948 110 A 4.0871 9.6287 126.9031 55.3733 18.4078 179.6777 111 K 4.1020 8.1195 116.0511 59.6834 32.7618 178.5805 112 D 4.5336 8.4929 120.4526 56.5464 40.7256 178.1949 113 L 4.3301 8.0471 119.8221 57.3718 41.3160 179.0655 114 L 3.9910 7.6721 118.0453 57.1824 41.5121 178.7943 115 K 4.0821 7.7087 118.5988 57.8712 32.8281 175.8465 116 Y 4.4580 7.8105 117.4206 56.3900 37.2846 175.4805 *118 F 4.7188 8.2618 121.8035 56.5766 41.2820 176.4817 119 N 5.3745 7.9765 116.4415 51.1851 37.6681 174.0630 120 P 4.2933 0.0000 0.0000 66.2301 32.1865 179.3031 121 E 4.0750 8.1707 116.6282 59.1023 29.4941 177.5494 122 Q 4.3117 8.2250 116.0273 55.7546 28.9913 175.8216 123 F 2.6887 7.6175 120.9200 58.7313 39.5902 174.5347 124 H 4.2090 7.0103 125.4536 53.4344 30.6858 172.7023 125 L 3.4870 7.0493 128.3317 57.7184 41.9134 179.2871 126 K 4.1134 7.2945 115.5222 58.1436 32.1968 177.9613 127 S 4.3384 7.7081 113.3382 59.6874 63.3076 174.9021 128 I 4.4141 7.5941 113.2307 60.2523 37.6728 174.5450 129 L 4.4098 7.7696 123.4541 54.9463 42.6158 176.3184 130 R 4.6341 8.8463 125.4731 54.1496 32.5274 174.1891 131 P 4.7209 0.0000 0.0000 62.6652 32.0253 176.2935 132 A 4.1606 8.5659 126.2681 51.6796 19.6544 176.8802 133 V 4.3057 7.8903 120.9891 61.6512 33.6342 174.5429 134 F 5.4191 8.7806 124.8759 55.8821 41.7507 175.0029 135 V 4.6244 8.7747 115.0844 58.9095 36.4168 173.3953 136 P 4.7455 0.0000 0.0000 62.3414 32.1853 177.3819 137 E 3.8912 8.5756 121.6933 59.4648 29.5614 179.0832 138 G 4.0703 7.8191 104.5644 44.9957 0.0000 173.4610 139 K 4.0193 7.7063 121.9647 55.7142 32.9528 176.3884 140 S 4.6512 8.3768 119.6049 57.9802 64.2975 175.0495 141 L 3.8995 8.4521 128.5805 58.2359 41.5459 179.9044 142 T 3.8060 7.9796 114.8834 66.8129 68.4053 176.2085 143 A 3.9193 7.4387 122.0988 54.8314 18.3671 179.3036 144 L 3.5050 7.8666 118.9016 58.2248 42.1520 178.9269 145 L 3.7171 8.2939 119.2608 57.7952 41.5916 179.5311 146 K 3.8735 7.7096 118.6050 59.7318 32.0809 178.7429 147 E 3.9655 8.0520 118.7337 59.0989 29.2970 179.3031 148 F 4.5058 8.2515 118.3866 60.8507 39.0738 177.9294 149 R 4.1430 8.1168 117.8356 59.1034 29.6288 178.9985 150 E 4.1066 8.1261 116.5006 59.4964 29.7887 178.5692 151 Q 4.2643 8.2514 115.9174 54.7408 29.4148 175.7499 152 R 3.8019 7.4159 116.8961 57.1464 28.4976 175.5093 153 N 5.0061 8.1586 113.7958 52.7847 40.9832 173.5349 154 H 4.4472 8.3389 117.4795 55.4623 31.3524 172.6749 *156 A 4.4692 7.8962 119.9046 51.9239 20.4256 176.2178 157 I 4.4593 8.2646 121.5699 60.3350 39.0232 175.1423 158 V 4.7462 8.9870 127.9798 61.6856 33.2997 174.6707 159 I 5.1903 8.6932 121.1921 59.0754 41.2764 175.4388 160 D 4.6723 8.7911 124.0914 52.3650 40.8205 176.7892 161 E 3.9483 8.3002 117.5020 58.5232 29.2156 177.3977 162 Y 4.6586 8.3788 115.2051 57.4430 38.8018 176.6200 163 G 3.9525 8.4334 109.7492 44.8498 0.0000 174.7013 164 G 3.9049 7.9269 108.0146 45.1938 0.0000 172.7846 165 T 4.5375 9.2800 119.1861 63.3146 69.2666 176.0296 166 S 4.5238 9.5987 123.0391 58.2347 64.4449 174.5548 167 G 4.2368 6.8284 105.5974 45.7847 0.0000 170.5394 168 L 5.4220 8.1661 119.9374 54.1053 43.8965 176.5182 169 V 4.7327 8.8642 119.1276 60.3897 34.4233 174.4999 170 T 4.7872 8.4129 112.4123 59.5670 72.0889 174.4855 171 F 3.9285 8.7589 125.4229 61.7187 39.1233 176.9241 172 E 3.9152 8.3238 116.8060 59.8257 29.3603 178.1448 173 D 4.6239 7.8271 116.3892 55.5159 41.2339 177.5452 174 I 4.3682 7.6236 111.7010 60.7515 38.5868 175.3510 175 I 4.0531 7.8485 125.5347 61.3943 37.9848 174.9770 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 22 N 8.28 4.68 0.00 2.97 3.02 0.00 0.00 6.00 6.20 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 23 A 8.38 4.64 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 24 S 7.95 4.09 0.00 4.16 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 25 A 7.95 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 26 E 8.28 3.89 0.00 2.02 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 2.56 0.00 27 D 7.78 4.27 0.00 2.84 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 28 V 7.49 3.59 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 0.98 0.00 0.00 0.94 0.00 0.00 29 L 7.99 3.97 0.00 1.94 1.71 0.92 0.39 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 30 N 8.40 4.46 0.00 3.02 3.09 0.00 0.00 7.15 6.48 0.00 0.00 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 L 7.83 4.10 0.00 1.83 1.78 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.88 4.23 0.00 2.04 1.91 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.22 4.04 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 34 Q 8.08 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 35 A 7.89 3.89 1.27 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 0.00 0.00 0.00 36 H 7.31 3.83 0.00 3.00 3.45 0.00 5.83 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 37 E 7.90 3.94 0.00 1.92 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 2.25 2.52 0.00 38 Q 7.17 4.37 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.25 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 39 E 7.89 3.81 0.00 2.09 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 2.17 2.17 0.00 40 V 7.84 3.72 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 0.91 0.00 0.00 0.87 0.00 0.00 41 F 6.76 4.96 0.00 3.14 3.11 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 42 D 8.59 4.73 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.52 3.84 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 44 D 8.12 4.29 0.00 2.88 2.73 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 45 T 8.49 3.76 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 0.74 0.00 0.00 46 L 8.00 3.90 0.00 1.92 1.92 1.10 0.39 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 47 L 7.99 3.99 0.00 1.91 1.81 0.92 0.83 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 48 R 7.81 3.86 0.00 1.97 1.91 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 49 L 8.07 3.84 0.00 1.66 1.57 0.13 0.60 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 50 E 8.42 3.85 0.00 2.07 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 2.30 2.46 0.00 51 K 8.11 3.20 0.00 1.78 1.68 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.40 7.81 52 V 7.60 3.65 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 0.81 0.00 0.00 0.92 0.00 0.00 53 L 7.90 4.21 0.00 1.90 1.54 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.13 4.65 0.00 2.38 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 55 F 8.15 5.21 0.00 3.18 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 56 S 8.82 4.41 0.00 3.94 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 57 D 7.97 4.79 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 58 L 7.42 4.44 0.00 1.85 1.56 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.52 5.09 0.00 2.00 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 2.17 2.17 0.00 60 V 9.04 3.52 2.32 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 0.90 0.00 0.00 0.92 0.00 0.00 61 R 8.02 3.86 0.00 1.98 1.95 0.00 3.28 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 62 D 8.42 4.41 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.54 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 I 7.34 3.95 1.95 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 1.21 0.61 0.90 0.00 0.00 66 T 8.42 4.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 R 8.41 3.95 0.00 2.06 2.00 0.00 3.35 0.00 0.00 3.49 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 68 S 8.27 4.23 0.00 3.92 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 69 R 7.68 4.16 0.00 1.94 1.91 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 *71 N 8.19 4.72 0.00 2.90 3.21 0.00 0.00 6.98 7.68 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 72 V 8.52 4.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 73 L 8.64 4.75 0.00 1.63 1.54 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.46 4.48 0.00 1.99 1.70 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.36 7.81 75 E 9.05 3.92 0.00 2.16 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 0.00 2.30 2.30 0.00 76 N 7.89 4.91 0.00 2.72 2.87 0.00 0.00 6.92 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 77 D 7.70 4.52 0.00 2.82 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 78 S 8.32 4.45 0.00 4.12 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 79 I 8.15 2.68 0.94 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.72 0.00 0.00 80 E 7.87 3.81 0.00 2.03 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 2.35 2.35 0.00 81 R 7.85 3.80 0.00 1.85 1.97 0.00 3.37 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 82 I 7.71 3.62 1.64 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 1.71 0.90 0.83 0.00 0.00 83 T 7.97 3.72 4.14 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 0.00 0.00 1.12 0.00 0.00 84 A 7.96 3.95 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 85 Y 8.06 3.98 0.00 3.09 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 86 V 7.90 3.16 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 0.95 0.00 0.00 0.24 0.00 0.00 87 I 7.63 3.72 1.83 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 1.37 0.70 0.88 0.00 0.00 88 D 7.68 4.40 0.00 2.74 2.69 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 89 T 7.99 3.86 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 0.48 0.00 0.00 90 A 7.83 3.82 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 91 H 7.47 4.54 0.00 2.17 2.74 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.27 4.74 0.00 3.86 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 93 R 7.47 5.19 0.00 1.45 1.67 0.00 2.99 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.43 0.00 94 F 9.38 4.79 0.00 2.94 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 95 P 0.00 4.80 0.00 2.13 1.99 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 96 V 9.16 4.98 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 1.07 0.00 0.00 1.01 0.00 0.00 97 I 8.86 4.93 2.11 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 1.30 0.70 0.96 0.00 0.00 98 G 9.17 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 0.00 0.00 0.00 99 E 7.29 4.21 0.00 2.04 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 0.00 2.67 2.26 0.00 100 D 7.34 4.53 0.00 2.88 2.81 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 0.00 101 K 8.66 4.08 0.00 1.80 1.96 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.49 7.81 102 D 8.23 4.71 0.00 2.88 2.73 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 0.00 103 E 8.29 4.51 0.00 1.96 1.81 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 2.22 2.22 0.00 104 V 8.11 4.49 2.38 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 0.93 0.00 0.00 1.09 0.00 0.00 105 L 9.63 4.42 0.00 1.76 1.74 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 106 G 6.82 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 0.00 107 I 8.08 5.15 1.94 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 1.10 1.04 1.00 0.00 0.00 108 L 9.37 4.98 0.00 1.82 1.68 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.91 5.17 0.00 3.37 3.27 0.00 5.89 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 0.00 110 A 9.63 4.09 1.50 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 0.00 111 K 8.12 4.10 0.00 2.02 2.12 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 112 D 8.49 4.53 0.00 2.95 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 0.00 113 L 8.05 4.33 0.00 1.87 1.76 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.67 3.99 0.00 1.76 1.73 0.93 0.68 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 0.00 115 K 7.71 4.08 0.00 1.64 1.63 0.00 1.58 0.00 0.00 1.18 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.68 1.21 7.81 116 Y 7.81 4.46 0.00 3.13 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 *118 F 8.26 4.72 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.98 5.37 0.00 3.18 3.04 0.00 0.00 7.01 7.04 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 0.00 120 P 0.00 4.29 0.00 2.18 2.10 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 121 E 8.17 4.08 0.00 1.98 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 2.34 2.42 0.00 122 Q 8.23 4.31 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 123 F 7.62 2.69 0.00 2.69 2.81 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 0.00 124 H 7.01 4.21 0.00 3.09 3.06 0.00 5.86 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.05 3.49 0.00 1.34 1.39 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.29 4.11 0.00 1.50 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.30 7.81 127 S 7.71 4.34 0.00 4.06 4.13 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 0.00 128 I 7.59 4.41 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 1.03 0.00 0.00 129 L 7.77 4.41 0.00 1.82 1.75 0.95 1.01 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 0.00 130 R 8.85 4.63 0.00 1.83 1.83 0.00 3.09 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 131 P 0.00 4.72 0.00 1.97 2.03 0.00 3.69 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 2.05 2.13 0.00 132 A 8.57 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.89 4.31 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 1.05 0.00 0.00 0.96 0.00 0.00 134 F 8.78 5.42 0.00 2.92 2.90 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 0.00 135 V 8.77 4.62 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 0.64 0.00 0.00 0.89 0.00 0.00 136 P 0.00 4.75 0.00 2.04 1.92 0.00 3.58 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 2.08 2.09 0.00 137 E 8.58 3.89 0.00 2.09 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 2.33 2.44 0.00 138 G 7.82 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 0.00 0.00 0.00 0.00 139 K 7.71 4.02 0.00 1.84 1.61 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.30 7.81 140 S 8.38 4.65 0.00 3.90 3.66 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 0.00 141 L 8.45 3.90 0.00 1.74 1.69 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.98 3.81 4.22 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 1.19 0.00 0.00 143 A 7.44 3.92 1.23 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 0.00 0.00 144 L 7.87 3.50 0.00 1.52 1.60 0.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.29 3.72 0.00 1.88 1.63 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.71 3.87 0.00 1.80 1.95 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 147 E 8.05 3.97 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 148 F 8.25 4.51 0.00 2.73 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 0.00 149 R 8.12 4.14 0.00 2.04 2.06 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 150 E 8.13 4.11 0.00 2.14 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 0.00 2.54 2.36 0.00 151 Q 8.25 4.26 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 152 R 7.42 3.80 0.00 2.01 2.01 0.00 3.34 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 153 N 8.16 5.01 0.00 2.83 3.14 0.00 0.00 6.80 7.41 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 0.00 154 H 8.34 4.45 0.00 3.04 3.06 0.00 5.90 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 *156 A 7.90 4.47 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 0.00 157 I 8.26 4.46 1.42 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.43 1.02 0.00 0.00 158 V 8.99 4.75 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 0.97 0.00 0.00 0.94 0.00 0.00 159 I 8.69 5.19 1.96 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 1.55 0.82 1.12 0.00 0.00 160 D 8.79 4.67 0.00 2.88 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 0.00 161 E 8.30 3.95 0.00 1.16 1.63 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 0.00 2.07 2.19 0.00 162 Y 8.38 4.66 0.00 2.95 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 0.00 163 G 8.43 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 0.00 164 G 7.93 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 0.00 165 T 9.28 4.54 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 166 S 9.60 4.52 0.00 3.96 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 0.00 167 G 6.83 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 0.00 168 L 8.17 5.42 0.00 1.68 1.59 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 169 V 8.86 4.73 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 0.80 0.00 0.00 1.01 0.00 0.00 170 T 8.41 4.79 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 1.14 0.00 0.00 171 F 8.76 3.93 0.00 2.55 2.81 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 0.00 172 E 8.32 3.92 0.00 1.97 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 2.28 2.40 0.00 173 D 7.83 4.62 0.00 2.80 2.73 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 0.00 174 I 7.62 4.37 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 1.82 0.68 0.99 0.00 0.00 175 I 7.85 4.05 2.35 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 1.06 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.