NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2628 8.4145 122.1329 54.5347 33.4694 175.4035 5 S 4.6009 7.8206 117.1686 54.7268 66.3984 172.3695 6 D 4.4167 9.2306 121.4224 57.1956 41.4564 178.8619 7 R 4.0370 7.8377 117.2132 58.1899 30.2837 177.5916 8 T 2.8800 6.6765 113.1878 62.2369 70.5824 175.6542 9 D 4.3597 7.0449 122.6041 52.2872 37.4444 175.8379 10 W 5.0434 7.0229 123.5349 60.0529 29.7879 177.7392 11 V 3.8576 7.9693 115.6339 66.0969 31.4144 177.3771 12 A 4.2321 8.6813 120.8008 54.8903 18.3309 180.1116 13 L 4.0472 8.1556 117.9132 54.9504 41.7505 179.2899 *15 R 4.2136 8.1241 120.6792 56.2896 32.2286 177.1196 16 A 4.0376 7.9788 119.8390 55.3026 18.4877 179.7189 17 I 3.6901 7.7161 117.7859 63.9674 36.8503 178.8003 18 R 3.7979 7.6114 118.6148 59.5634 30.2345 177.7300 19 D 4.5056 8.0629 116.8117 55.8877 41.1143 176.8953 20 H 4.8777 7.9544 113.0480 54.2446 30.9043 173.1989 21 R 3.4457 7.4201 116.1338 57.2159 28.0969 178.5011 22 D 4.7551 7.8592 116.9690 53.4970 39.8760 174.1859 23 E 4.2176 8.9500 125.0741 59.2238 29.6649 178.4226 24 A 4.0622 8.2920 119.7428 55.2318 18.5117 179.1795 25 A 4.0709 8.8686 119.6273 55.4572 18.4044 179.5621 26 F 4.3320 8.6658 118.7855 61.6507 39.5595 177.2092 27 A 3.8799 8.6551 120.6975 55.0654 17.7300 179.4963 28 E 4.0605 8.5028 117.4345 59.6046 29.5010 179.6247 29 L 3.9025 8.1006 118.9550 57.6830 41.7731 179.1275 30 F 3.7082 8.4777 120.9963 61.4473 39.0741 176.9217 31 Q 4.0906 8.1382 117.4418 58.9846 28.7466 177.4428 32 H 4.3194 7.5939 118.6552 58.7249 30.2862 177.1651 33 F 4.0354 7.9113 119.3859 59.7493 38.7657 177.5314 34 A 3.6086 7.4972 120.6744 54.9642 17.9699 178.1079 35 P 4.1873 0.0000 0.0000 65.2919 31.3051 179.0785 36 K 4.0156 7.2232 118.0470 59.2634 32.0640 179.5202 37 V 3.7463 8.2900 118.9082 65.5598 31.1065 178.1448 38 K 4.0394 7.8828 119.0226 59.5714 32.2718 178.8077 39 G 3.8197 7.8943 104.6106 47.6184 0.0000 175.1536 40 F 4.4397 8.7697 123.2131 61.0963 39.6796 179.2501 41 L 4.2747 8.1674 118.2455 54.8388 41.5162 179.3047 *43 K 4.1804 8.1384 120.3105 56.6239 33.9437 177.8431 44 S 4.3885 7.7552 112.3162 59.4993 62.8059 174.8665 45 G 4.0101 7.8488 108.7233 45.4193 0.0000 173.6277 46 S 4.6746 7.4563 114.4492 56.7658 64.5855 174.9557 47 V 3.8255 8.2423 122.3124 62.5665 33.1805 176.6781 48 A 3.9254 8.5200 128.0059 55.5632 18.3087 179.8859 49 S 4.0763 8.1679 111.5367 62.0690 63.0049 176.6367 50 Q 4.0967 8.0835 120.3535 57.7225 28.4803 178.3219 51 A 3.9633 7.9908 122.3853 55.2098 18.5416 179.1042 52 E 3.7804 8.4719 118.2484 59.3886 29.5819 178.6582 53 E 3.9208 8.0139 119.0294 59.5778 29.7797 178.4859 54 C 4.1472 8.0156 118.1447 62.2889 31.3557 174.7469 55 A 3.9235 8.5545 122.1885 55.5838 17.9919 178.9873 56 Q 4.3481 8.0960 115.4093 59.4410 28.7433 178.9343 57 D 4.5464 8.1352 118.7568 56.9492 41.1962 177.6154 58 V 3.6158 8.1927 118.1446 63.3764 32.0288 177.4636 *60 A 4.4262 8.0233 122.0429 52.0582 20.6487 180.0674 61 T 4.0318 7.5966 111.8032 66.4733 68.1473 177.1454 62 V 3.5741 7.7480 119.7659 65.6578 31.7454 177.6540 63 W 4.2527 8.3667 127.4642 60.6434 30.4669 177.7574 64 Q 4.0969 8.0297 116.1555 58.6957 28.5060 178.2768 65 K 4.4647 8.5583 117.7639 56.2135 32.2448 178.1929 66 A 4.3233 7.7838 126.2542 55.7580 18.4024 180.6208 67 H 4.1896 8.1043 110.0786 58.4965 28.7786 176.4592 68 L 4.2254 7.9036 118.1048 55.5799 41.4849 176.5084 69 F 3.4699 7.2745 122.6935 56.8574 39.7971 174.4347 70 D 4.3660 7.2107 127.3283 51.1795 41.3860 174.1939 71 P 4.1919 0.0000 0.0000 64.2793 31.2680 177.4524 72 S 4.4043 8.3205 113.3282 59.1240 63.5592 174.8708 73 R 4.4454 7.4997 118.5099 55.4648 31.0097 175.1948 74 A 4.3740 7.1185 118.5452 50.3897 21.6839 176.6818 75 S 4.8342 8.0551 115.3617 57.6603 65.6623 175.6885 76 V 3.4226 8.4491 121.0671 66.1123 31.2598 177.8992 77 A 3.6351 7.9618 119.9583 55.0553 18.2207 179.7417 78 T 3.8696 7.8410 114.1897 66.5190 68.6211 176.4983 79 W 4.4371 8.3080 130.3197 60.9997 30.7401 177.9406 80 I 3.2653 8.1083 119.8140 64.0539 36.3137 178.2277 81 F 3.9278 7.9773 121.4276 61.6087 38.7169 176.9803 82 T 3.4577 8.1210 115.6010 67.0126 68.0288 176.3161 83 I 3.6190 6.9844 119.8262 63.5080 37.1700 178.1291 84 A 4.0349 7.3754 121.3818 55.1721 18.4717 179.7030 85 R 4.0210 7.7714 114.9212 59.1277 29.2640 177.9783 86 N 4.6769 7.4290 114.2942 53.4167 38.0691 175.2155 87 R 4.3591 7.2559 116.5316 54.8198 30.7677 175.8362 88 R 4.7142 8.1579 117.9549 55.8001 30.5841 175.6786 89 I 4.3897 8.1226 127.5036 60.0373 38.9616 176.1148 90 D 4.4369 8.8514 125.4704 56.1798 39.6539 175.8211 91 G 4.0551 7.9618 105.0887 45.5558 0.0000 173.8483 92 L 4.6361 8.2964 119.1960 54.9799 44.1576 176.2136 93 R 4.6409 7.6447 112.3193 55.0929 32.1751 174.3777 94 K 4.5571 8.4396 115.3656 57.1870 34.7329 176.0238 95 D 4.5301 7.2445 123.4096 53.9618 45.9102 175.6699 96 R 4.5113 8.6123 127.9388 56.0959 31.8617 175.3091 97 Q 4.1739 8.0950 122.0065 55.1716 29.7213 174.0992 98 P 4.2831 0.0000 0.0000 62.8207 31.7224 175.4629 99 E 4.7457 8.4154 121.3678 53.1380 31.9839 174.1196 100 P 4.3720 0.0000 0.0000 62.5192 31.8501 175.6408 101 E 3.8513 8.5711 118.3774 56.9278 29.9777 176.8060 102 D 4.6493 8.5369 122.2365 53.6141 41.6432 175.8637 103 L 4.3460 8.3359 124.1204 52.5798 44.1678 175.6829 104 F 4.9348 7.1673 116.6646 55.2316 40.9035 173.4474 105 W 4.4808 8.9237 121.3433 55.7568 30.1063 177.1030 106 G 4.1221 8.7051 111.7041 43.8276 0.0000 172.6395 107 P 4.3253 0.0000 0.0000 65.6812 31.2905 178.0883 108 D 4.5817 8.4610 120.1511 56.5885 40.0596 181.8016 109 S 4.6805 7.9470 114.0838 57.6031 65.5994 174.0430 110 E 4.2011 8.0401 115.2418 55.9689 32.0336 174.0087 111 P 3.1919 0.0000 0.0000 61.3958 32.3137 176.1176 112 D 4.3518 8.3032 120.9310 54.5881 42.6463 177.0999 113 Q 3.9428 8.7799 128.8046 60.5749 28.0086 177.0415 114 A 4.2755 7.9794 122.1778 55.2880 18.2754 179.1929 115 D 4.3303 8.0817 115.3471 57.5672 40.9271 178.9894 116 V 3.6823 7.7150 117.8392 66.1704 31.9999 177.1174 117 Y 4.2952 8.4301 119.7369 60.3428 38.5832 176.3540 118 E 4.1269 8.2330 119.7453 56.8244 30.6751 178.2541 *120 Q 4.3841 8.1103 118.1750 55.6942 31.2709 177.9098 121 Q 3.8203 7.6398 116.3544 59.1178 28.7094 178.6098 122 E 3.9689 8.4800 119.8864 59.3895 29.4021 179.0554 123 N 4.3058 8.0960 116.5377 56.5758 39.1295 176.6676 124 A 4.0449 8.1211 122.1909 54.6812 18.4243 179.6768 125 R 3.8193 7.9024 117.7551 59.4764 30.1095 178.4566 126 L 4.0495 8.1511 120.3765 57.9249 42.1006 178.8981 127 G 3.7192 8.1849 105.7958 47.9235 0.0000 175.3259 128 R 3.8370 8.0538 121.3035 58.9833 29.9045 178.1631 129 A 3.9942 7.7402 118.8869 55.4521 18.4424 179.1992 130 I 3.7699 7.8779 116.9337 64.6192 37.2424 178.2464 131 A 4.1608 7.7351 120.3744 54.1844 19.6221 179.2577 132 R 4.3543 7.7754 117.8859 54.0955 27.3299 175.9294 133 L 4.8661 6.8703 118.0790 51.7031 46.2450 175.4093 134 P 4.2867 0.0000 0.0000 63.4304 31.6675 178.0050 135 E 4.0285 9.0090 121.0440 60.7687 29.4156 178.4031 136 A 4.2141 7.9633 121.1454 56.6446 18.8517 180.2063 137 Q 4.0550 7.9717 118.6674 60.0899 28.3091 180.0688 138 R 4.1479 8.1897 119.4729 59.2397 30.0361 178.6560 139 A 3.9940 7.7347 122.8765 55.7178 18.2681 179.8401 140 L 3.9547 7.7006 119.5467 60.0215 41.1016 181.3428 141 I 4.1948 7.6654 120.3213 64.2464 37.2623 178.0555 142 E 4.4130 8.2392 119.3575 60.2002 29.4565 179.7579 143 R 4.0683 8.6539 117.7494 59.4159 30.1938 179.0890 144 A 3.9546 8.3327 120.5247 55.1426 18.3340 178.9966 145 F 4.5058 8.2103 112.0217 57.9903 39.1842 175.9631 146 F 4.4995 7.8780 116.7675 57.0734 39.1383 176.6646 147 G 3.9053 8.0220 108.7862 46.7246 0.0000 175.2011 148 D 4.7372 8.1221 118.8770 53.8859 40.2487 182.3695 *154 L 4.4997 7.8772 118.4259 55.2270 43.0481 184.1069 155 A 4.4355 7.9943 120.2837 54.1004 19.0243 178.4612 156 A 4.1629 8.1380 120.3752 55.3510 19.1137 179.0297 157 E 4.1901 8.3761 112.8982 58.6960 30.4613 179.2645 158 T 4.5114 7.1532 112.5542 58.4401 69.5564 176.5861 159 G 3.9025 8.6370 116.9963 44.1475 0.0000 172.6120 160 L 4.8986 8.1679 124.3736 51.4994 45.8730 176.0953 161 P 4.5574 0.0000 0.0000 63.5955 31.0342 178.3276 162 L 4.1353 8.4486 122.3296 58.2643 41.3676 179.4724 163 G 3.6589 8.1013 105.4634 48.2050 0.0000 175.5292 164 T 3.8848 7.7037 118.2946 66.3165 68.5475 176.8460 165 I 3.7156 7.7010 121.0868 64.1244 37.1960 178.1005 166 K 3.9027 8.6245 120.8959 59.6023 31.9448 178.6901 167 S 4.0949 8.1479 113.2684 61.4089 62.2404 176.3338 168 R 3.9054 7.9418 120.6388 59.3702 29.7976 178.9775 169 I 3.7232 7.7695 119.4750 64.4630 37.2538 178.3293 170 R 3.8463 8.0225 119.3458 59.4469 29.9242 178.3333 171 L 3.9573 8.0779 119.8657 58.1746 42.0021 178.8253 172 A 4.2113 8.9283 121.8268 54.8774 18.0377 179.6770 173 L 3.9202 8.3585 117.6251 57.8530 42.0810 178.6840 174 D 4.4575 7.9671 117.6325 57.5424 41.1616 178.2083 175 R 3.9265 7.5856 116.9305 59.5489 29.9489 178.4092 176 L 3.0344 7.6926 121.1466 59.6510 41.9304 179.2447 177 R 3.8498 7.8864 121.6299 60.6506 29.1798 181.2520 178 Q 4.2224 7.7348 122.2124 60.5381 28.7503 179.6808 179 H 4.6258 7.9289 123.4907 56.2748 30.0595 174.6832 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 4 K 8.41 4.26 0.00 1.79 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 S 7.82 4.60 0.00 3.66 3.67 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 0.00 0.00 0.00 0.00 6 D 9.23 4.42 0.00 2.63 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 7 R 7.84 4.04 0.00 1.69 1.97 0.00 3.18 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 8 T 6.68 2.88 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 0.63 0.00 0.00 9 D 7.04 4.36 0.00 2.51 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 10 W 7.02 5.04 0.00 3.43 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 11 V 7.97 3.86 2.19 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 0.97 0.00 0.00 1.15 0.00 0.00 12 A 8.68 4.23 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.16 4.05 0.00 2.10 1.89 1.25 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 8.12 4.21 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 16 A 7.98 4.04 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 17 I 7.72 3.69 1.84 0.00 0.00 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 1.63 1.15 0.34 0.00 0.00 18 R 7.61 3.80 0.00 1.74 2.05 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 19 D 8.06 4.51 0.00 2.34 2.43 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 20 H 7.95 4.88 0.00 3.17 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.42 3.45 0.00 2.15 2.30 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 22 D 7.86 4.76 0.00 2.83 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 23 E 8.95 4.22 0.00 2.13 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 2.46 2.67 0.00 24 A 8.29 4.06 1.46 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 25 A 8.87 4.07 1.61 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 0.00 0.00 26 F 8.67 4.33 0.00 3.67 3.48 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 0.00 0.00 0.00 0.00 27 A 8.66 3.88 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 28 E 8.50 4.06 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 29 L 8.10 3.90 0.00 1.91 1.75 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.48 3.71 0.00 2.45 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.14 4.09 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 32 H 7.59 4.32 0.00 3.26 2.80 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 33 F 7.91 4.04 0.00 3.04 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 34 A 7.50 3.61 0.23 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 35 P 0.00 4.19 0.00 2.06 2.05 0.00 3.42 0.00 0.00 3.56 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 36 K 7.22 4.02 0.00 1.94 1.85 0.00 1.24 0.00 0.00 1.49 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.25 7.81 37 V 8.29 3.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 38 K 7.88 4.04 0.00 1.80 1.97 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 G 7.89 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 0.00 0.00 0.00 40 F 8.77 4.44 0.00 3.30 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 41 L 8.17 4.27 0.00 1.99 1.72 0.97 0.68 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 *43 K 8.14 4.18 0.00 2.13 1.59 0.00 1.70 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.43 7.81 44 S 7.76 4.39 0.00 4.03 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 45 G 7.85 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 0.00 0.00 0.00 46 S 7.46 4.67 0.00 4.00 3.80 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 47 V 8.24 3.83 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 1.05 0.00 0.00 0.93 0.00 0.00 48 A 8.52 3.93 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 49 S 8.17 4.08 0.00 4.07 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 0.00 50 Q 8.08 4.10 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 51 A 7.99 3.96 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 52 E 8.47 3.78 0.00 2.05 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 2.40 2.38 0.00 53 E 8.01 3.92 0.00 2.10 2.17 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 2.41 2.38 0.00 54 C 8.02 4.15 0.00 3.24 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 55 A 8.55 3.92 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 56 Q 8.10 4.35 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 57 D 8.14 4.55 0.00 2.93 2.84 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 58 V 8.19 3.62 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 0.79 0.00 0.00 0.91 0.00 0.00 *60 A 8.02 4.43 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 61 T 7.60 4.03 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 1.12 0.00 0.00 62 V 7.75 3.57 2.37 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 1.16 0.00 0.00 0.81 0.00 0.00 63 W 8.37 4.25 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 64 Q 8.03 4.10 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.06 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 65 K 8.56 4.46 0.00 2.04 1.99 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 66 A 7.78 4.32 1.30 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 67 H 8.10 4.19 0.00 3.09 3.30 0.00 5.53 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.90 4.23 0.00 1.99 1.97 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.27 3.47 0.00 1.51 2.46 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 70 D 7.21 4.37 0.00 2.67 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 71 P 0.00 4.19 0.00 2.17 2.23 0.00 3.40 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 72 S 8.32 4.40 0.00 3.96 3.92 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 73 R 7.50 4.45 0.00 1.74 1.98 0.00 3.22 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 74 A 7.12 4.37 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 75 S 8.06 4.83 0.00 4.20 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.45 3.42 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 0.69 0.00 0.00 0.77 0.00 0.00 77 A 7.96 3.64 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 78 T 7.84 3.87 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 1.37 0.00 0.00 79 W 8.31 4.44 0.00 3.62 3.48 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 0.00 0.00 0.00 0.00 80 I 8.11 3.27 1.49 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.62 0.00 0.00 81 F 7.98 3.93 0.00 2.91 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 82 T 8.12 3.46 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 1.14 0.00 0.00 83 I 6.98 3.62 1.56 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.22 0.67 0.00 0.00 84 A 7.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.77 4.02 0.00 1.95 1.89 0.00 2.67 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.40 0.00 86 N 7.43 4.68 0.00 2.73 2.78 0.00 0.00 6.67 7.54 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 87 R 7.26 4.36 0.00 1.85 1.92 0.00 3.07 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.54 0.00 88 R 8.16 4.71 0.00 1.79 1.87 0.00 3.00 0.00 0.00 3.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 89 I 8.12 4.39 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 1.28 0.49 0.91 0.00 0.00 90 D 8.85 4.44 0.00 2.69 2.62 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 91 G 7.96 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 92 L 8.30 4.64 0.00 1.54 1.66 0.92 0.82 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 93 R 7.64 4.64 0.00 1.85 1.86 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 94 K 8.44 4.56 0.00 1.87 1.95 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.43 7.81 95 D 7.24 4.53 0.00 2.55 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 0.00 0.00 0.00 0.00 96 R 8.61 4.51 0.00 1.68 1.96 0.00 3.18 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 97 Q 8.10 4.17 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 98 P 0.00 4.28 0.00 2.07 1.99 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 99 E 8.42 4.75 0.00 2.05 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 2.17 2.26 0.00 100 P 0.00 4.37 0.00 2.20 2.11 0.00 3.82 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 2.01 2.01 0.00 101 E 8.57 3.85 0.00 1.94 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 2.30 2.36 0.00 102 D 8.54 4.65 0.00 2.75 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 0.00 103 L 8.34 4.35 0.00 1.46 1.30 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.17 4.93 0.00 3.08 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 0.00 105 W 8.92 4.48 0.00 3.32 3.27 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 0.00 106 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.12 4.04 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 0.00 125 R 7.90 3.82 0.00 1.89 2.08 0.00 3.09 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 126 L 8.15 4.05 0.00 1.80 1.80 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.18 3.72 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 0.00 0.00 0.00 128 R 8.05 3.84 0.00 2.13 1.94 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 129 A 7.74 3.99 1.36 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 0.00 0.00 130 I 7.88 3.77 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 0.89 0.00 0.00 131 A 7.74 4.16 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 0.00 132 R 7.78 4.35 0.00 1.80 1.91 0.00 3.11 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 133 L 6.87 4.87 0.00 1.69 1.53 1.00 1.14 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 0.00 134 P 0.00 4.29 0.00 2.18 1.98 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 135 E 9.01 4.03 0.00 1.97 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 2.32 1.98 0.00 136 A 7.96 4.21 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 0.00 137 Q 7.97 4.05 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 138 R 8.19 4.15 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 139 A 7.73 3.99 1.46 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 0.00 140 L 7.70 3.95 0.00 1.77 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.67 4.19 2.12 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 1.63 0.66 1.10 0.00 0.00 142 E 8.24 4.41 0.00 2.28 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 0.00 2.66 2.78 0.00 143 R 8.65 4.07 0.00 2.04 2.06 0.00 3.13 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 144 A 8.33 3.95 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 0.00 145 F 8.21 4.51 0.00 2.86 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 0.00 146 F 7.88 4.50 0.00 3.12 2.98 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 0.00 147 G 8.02 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 0.00 148 D 8.12 4.74 0.00 2.70 2.53 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 0.00 *154 L 7.88 4.50 0.00 1.59 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.99 4.44 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 0.00 156 A 8.14 4.16 1.30 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 0.00 157 E 8.38 4.19 0.00 2.00 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 2.18 1.86 0.00 158 T 7.15 4.51 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 0.00 159 G 8.64 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 0.00 160 L 8.17 4.90 0.00 1.69 1.53 0.95 1.01 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 0.00 161 P 0.00 4.56 0.00 2.26 2.27 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 162 L 8.45 4.14 0.00 1.70 1.82 0.98 0.77 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 0.00 163 G 8.10 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 0.00 0.00 0.00 164 T 7.70 3.88 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 1.23 0.00 0.00 165 I 7.70 3.72 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 1.52 0.93 0.93 0.00 0.00 166 K 8.62 3.90 0.00 1.92 2.06 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 167 S 8.15 4.09 0.00 4.06 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 0.00 168 R 7.94 3.91 0.00 2.03 1.96 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 169 I 7.77 3.72 1.89 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 1.43 1.07 0.93 0.00 0.00 170 R 8.02 3.85 0.00 2.05 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 1.63 1.65 0.00 171 L 8.08 3.96 0.00 1.96 1.84 0.94 0.99 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 0.00 172 A 8.93 4.21 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 0.00 173 L 8.36 3.92 0.00 1.90 1.73 0.92 1.19 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 0.00 174 D 7.97 4.46 0.00 2.96 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 0.00 175 R 7.59 3.93 0.00 2.22 2.16 0.00 3.44 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 176 L 7.69 3.03 0.00 1.41 1.64 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.89 3.85 0.00 1.98 1.71 0.00 3.36 0.00 0.00 3.26 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 178 Q 7.73 4.22 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 179 H 7.93 4.63 0.00 3.17 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.98 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.