NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4444 8.1927 115.2970 58.1642 63.8369 174.3237 3 Q 3.8285 8.6748 128.5463 58.8491 28.9037 176.4059 4 S 4.1283 8.9969 117.0615 61.7556 63.1916 176.0292 5 N 4.4262 8.1076 118.5108 56.1971 38.5423 177.2310 6 R 3.9488 7.6450 119.1180 59.5542 30.1200 178.5433 7 E 3.8380 8.0623 117.9149 59.4239 29.5258 178.9349 8 L 3.7314 7.4744 120.0269 58.3045 42.0615 179.2017 9 V 3.8632 7.8383 117.7690 66.3768 31.5939 178.2643 10 V 3.0427 8.0996 118.1031 65.3896 31.1639 177.5586 11 D 4.1444 8.3066 118.4845 57.1866 41.0720 177.8850 12 F 3.8836 8.2174 121.0448 61.2372 39.3792 177.0802 13 L 4.1191 8.1297 118.5012 58.0429 41.4153 179.4642 14 S 4.3948 7.9311 114.9353 62.0769 62.8247 176.2484 15 Y 3.9135 8.3837 122.3600 60.4613 38.5419 178.1575 16 K 3.6673 8.1143 120.6170 59.1153 32.3767 178.6858 17 L 4.0730 8.5862 119.6899 57.9722 41.5934 179.3764 18 S 4.3035 8.3814 113.0748 61.6350 62.0806 175.7030 19 Q 3.8007 7.4927 120.6365 58.8763 28.6624 177.9345 20 K 4.5428 7.8046 115.9068 55.8981 32.3852 177.2727 21 G 3.7554 8.1688 107.0995 45.7673 0.0000 173.2872 22 Y 4.4742 8.3059 117.3362 55.9609 40.0059 174.8828 23 S 4.2010 8.4459 115.6727 57.3973 63.1916 173.3797 24 W 4.8909 7.6573 123.0367 56.4955 28.6597 177.3241 25 S 4.0669 7.9147 117.2386 62.8493 62.1405 177.3131 26 Q 3.6533 7.1897 116.5427 57.6828 29.5078 178.3953 27 F 4.9042 7.8754 119.1392 56.4282 39.8376 175.3865 *82 P 4.0096 0.0000 0.0000 63.0105 32.1228 177.0451 83 M 3.9390 7.6456 119.5732 56.4238 34.4492 177.0539 84 A 3.9550 8.7923 123.2824 55.3479 18.3243 180.2173 85 A 3.9040 7.8565 118.8932 55.3420 18.5353 179.8993 86 V 3.5566 7.6141 116.2389 65.9055 31.7504 177.9003 87 K 3.6342 7.6040 117.7931 59.8110 31.9449 179.0398 88 Q 3.8113 8.5900 119.4338 58.8718 28.8999 178.2552 89 A 4.0394 7.9183 121.9768 55.1115 18.5134 179.4745 90 L 3.7750 8.3634 117.8229 57.9638 41.6459 180.0363 91 R 3.4219 7.7106 117.7302 59.0501 29.7804 178.8736 92 E 3.9503 8.1582 118.0382 59.3808 29.4273 179.0030 93 A 4.0003 8.4994 121.1363 55.3791 18.3478 179.7841 94 G 4.0167 8.7309 104.2244 48.3102 0.0000 175.5483 95 D 4.4969 8.1358 120.1629 57.1421 41.0505 178.3407 96 E 4.1899 8.5394 119.2084 59.5279 29.5563 179.0462 97 F 4.1543 8.7052 120.8321 61.6800 39.2537 176.9322 98 E 4.4244 8.3336 116.2031 58.5383 29.3734 178.7258 99 L 4.0643 7.4374 120.4761 58.4177 42.2542 178.1674 100 R 3.7317 7.6842 116.9152 57.7783 30.6085 176.5998 101 Y 4.4427 6.7016 124.6220 56.6739 36.8465 175.1633 102 R 4.4874 7.9958 120.6755 56.1398 30.1074 178.6380 103 R 3.8637 8.0904 120.8222 57.8698 30.6160 175.7627 104 A 3.8658 8.1410 118.8873 55.0985 16.0870 176.5945 105 F 3.8319 7.9159 113.7157 58.7497 37.6150 178.5783 106 S 4.2234 8.2692 117.8760 61.3114 63.3198 176.4785 107 D 4.9292 7.9030 117.1552 53.2989 40.9055 178.4181 108 L 4.0331 8.1677 120.7647 58.1108 41.1943 179.2083 109 T 4.1609 8.5397 109.8891 64.7631 68.6736 176.8066 110 S 4.2618 7.7579 116.7176 61.7332 62.7158 176.6286 111 Q 4.1573 7.9984 119.1197 58.7878 28.4826 178.6486 112 L 4.2325 8.0919 120.2232 57.9585 42.9098 177.8562 113 H 3.9384 9.1293 111.5000 56.7803 26.9954 173.2732 114 I 4.2428 7.9044 128.1803 60.9512 39.0623 174.9607 115 T 4.7599 8.8380 115.5546 59.4340 71.7073 172.9415 116 P 4.2399 0.0000 0.0000 65.4621 31.5499 178.2312 117 G 3.7472 8.1851 106.8680 48.2608 0.0000 174.8560 118 T 3.8570 8.0408 116.6281 63.9969 69.2769 173.6344 119 A 4.5664 8.3677 128.3302 51.1023 20.5789 177.1341 120 Y 2.6932 8.6583 121.4726 60.7070 38.5526 179.0636 121 Q 3.7431 7.9999 117.5611 59.2966 28.3053 178.8715 122 S 3.9678 7.6724 116.5393 61.3106 62.8964 176.1528 123 F 4.1084 7.6521 122.7998 61.3723 39.1170 176.5159 124 E 3.9704 7.6744 118.7142 59.4550 29.1330 178.8270 125 Q 3.9365 7.7586 117.1057 58.6936 28.9300 178.4955 126 V 3.6888 7.3778 118.9240 65.4646 31.7049 178.2709 127 V 2.9261 7.6840 118.3566 65.7218 31.1202 177.4678 128 N 4.6749 7.8660 117.1302 55.8365 38.1964 177.0172 129 E 3.8872 7.8930 119.3176 59.0835 29.2147 179.1924 130 L 3.7802 7.7146 118.6452 56.3382 41.6200 177.8114 131 F 4.8679 7.5711 117.0257 57.1087 39.6225 177.4482 132 R 3.8996 7.5508 122.7013 59.4853 29.7955 177.6709 133 D 4.7143 8.0268 114.5966 53.9509 41.2144 177.4052 134 G 3.8935 8.3048 108.1170 44.7628 0.0000 173.8057 135 V 3.8365 7.7100 118.1975 62.0952 32.3501 174.9802 136 N 4.2441 7.8344 122.3938 49.8212 41.8802 175.1221 137 A 4.2605 8.6100 121.5507 55.4667 18.2489 179.9290 138 G 3.8560 8.2747 103.5432 48.2113 0.0000 175.9632 139 R 3.8942 8.9414 121.0081 58.9926 30.0952 179.1438 140 I 3.9782 7.9158 119.3567 64.4643 37.0979 178.6765 141 V 3.6144 8.2010 118.8559 65.9796 31.3267 177.7069 142 A 3.4442 8.0666 120.9219 55.0027 18.0966 179.2126 143 F 4.0432 8.3150 119.0681 61.6120 39.4667 177.3756 144 F 3.3937 7.9267 117.0411 60.3991 38.5678 177.7044 145 S 4.4359 8.4307 113.0328 61.2689 62.1510 176.0106 146 F 3.3382 8.3774 124.2303 60.7472 39.0040 177.3503 147 G 3.5060 7.8743 105.5303 47.5594 0.0000 175.6692 148 G 3.8362 8.1642 108.0141 47.6376 0.0000 175.5400 149 A 3.9983 7.9708 123.3018 54.7699 18.4154 179.4813 150 L 3.7504 7.7685 117.8704 58.2518 41.6965 179.6352 151 C 3.9992 8.3721 116.7316 62.7704 28.0241 176.1808 152 V 2.9125 7.6916 119.6014 65.8331 31.0278 177.5365 153 E 3.8884 8.0767 118.0961 59.8791 29.4186 179.9437 154 S 4.0448 7.9799 114.6846 61.5842 62.9676 176.9606 155 V 3.5717 7.6388 120.8240 66.1704 31.0511 177.8182 156 D 4.5395 8.0194 117.4973 56.9090 40.6354 177.8771 157 K 4.3604 7.9310 117.0214 55.1814 32.3669 176.3529 158 E 3.8533 7.9514 117.2361 58.1762 27.8766 174.7591 159 M 4.7618 8.1140 114.0159 54.5402 33.0065 178.4912 160 Q 3.8890 8.1782 119.9824 59.0139 29.4016 178.4789 161 V 3.6611 7.8734 119.7065 65.0787 30.8827 177.9864 162 L 3.7184 8.0593 118.6394 56.5495 41.4532 179.6155 163 V 3.5010 7.9070 114.0063 64.2799 31.4668 178.5295 164 S 4.2754 7.7486 113.5718 61.3377 62.8357 176.3566 165 R 3.5156 7.1514 121.0336 59.1855 29.6582 178.6284 166 I 2.9850 7.5470 119.5589 63.8150 36.8919 178.2995 167 A 3.9366 7.8065 121.5788 54.9064 18.2380 179.4021 168 A 3.9408 7.7706 119.2022 55.3287 18.4377 179.8316 169 W 4.5698 7.8391 117.3057 60.3068 28.9642 178.6507 170 M 4.6272 8.5100 118.6351 58.4909 31.3922 178.5213 171 A 4.1340 8.3762 120.9107 55.6433 18.6214 179.4548 172 T 3.8473 8.0992 114.1373 67.2943 68.6842 176.0320 173 Y 4.0780 8.8264 121.4098 60.5232 38.8454 177.8567 174 L 3.9318 8.6078 121.5788 58.2217 42.0930 178.5738 175 N 4.3371 8.3455 115.3443 56.8288 38.6044 176.5009 176 D 4.2487 8.3633 118.4922 56.7382 41.4555 177.1159 177 H 4.4099 8.3026 116.8879 56.1945 29.7070 176.5301 178 L 4.4166 7.3865 119.6418 55.6510 43.5129 177.9635 179 E 3.9174 8.4863 118.9112 59.2162 28.8797 177.7753 180 P 4.2053 0.0000 0.0000 65.2566 30.9214 178.4396 181 W 4.0613 8.1107 126.7434 60.3081 30.6190 177.8669 182 I 3.5766 7.8381 119.7754 64.6358 36.3563 178.4999 183 Q 3.8792 7.7971 117.2464 58.7420 28.5719 178.1158 184 E 4.0270 7.4848 117.9239 57.5321 29.7967 176.4014 185 N 4.6073 7.1097 115.4564 53.4179 39.3812 175.1845 186 G 3.8177 8.5999 107.8382 44.6893 0.0000 175.1783 187 G 3.8220 8.1022 106.6305 44.4015 0.0000 173.8924 188 W 4.6732 8.7120 116.9399 59.9579 28.6662 178.0369 189 D 4.5894 8.5604 118.8826 57.7597 40.2105 178.4812 190 T 4.2015 8.1101 108.8939 63.6591 69.0702 176.9436 191 F 4.2103 8.4392 121.4095 60.4820 38.7181 177.5906 192 V 3.6661 7.9585 116.6926 66.0120 31.6596 176.9015 193 E 4.0470 8.2912 118.3981 59.5987 29.5089 178.4322 194 L 4.0869 7.8774 118.1487 55.8615 42.6049 176.0419 195 Y 5.0369 7.2258 114.7024 56.3213 41.6287 175.5913 196 G 4.3476 8.8758 110.6758 46.8639 0.0000 173.4105 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 2 S 8.19 4.44 0.00 4.03 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 3 Q 8.67 3.83 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 4 S 9.00 4.13 0.00 3.94 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 5 N 8.11 4.43 0.00 2.94 2.99 0.00 0.00 7.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.64 3.95 0.00 1.85 2.00 0.00 3.16 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 1.80 1.73 0.00 7 E 8.06 3.84 0.00 2.13 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 2.29 2.41 0.00 8 L 7.47 3.73 0.00 1.77 1.68 0.48 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.84 3.86 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 1.00 0.00 0.00 1.10 0.00 0.00 10 V 8.10 3.04 1.90 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 0.21 0.00 0.00 0.61 0.00 0.00 11 D 8.31 4.14 0.00 2.69 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 12 F 8.22 3.88 0.00 2.97 3.14 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 0.00 13 L 8.13 4.12 0.00 1.77 1.91 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.93 4.39 0.00 4.01 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 15 Y 8.38 3.91 0.00 2.88 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 16 K 8.11 3.67 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.52 7.81 17 L 8.59 4.07 0.00 2.12 1.95 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.38 4.30 0.00 3.58 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 19 Q 7.49 3.80 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 20 K 7.80 4.54 0.00 2.07 2.06 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.67 7.81 21 G 8.17 3.76 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 0.00 0.00 0.00 22 Y 8.31 4.47 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.45 4.20 0.00 3.61 3.64 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 24 W 7.66 4.89 0.00 3.63 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.91 4.07 0.00 3.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.19 3.65 0.00 1.28 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 27 F 7.88 4.90 0.00 3.07 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 *82 P 0.00 4.01 0.00 2.07 1.95 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 83 M 7.65 3.94 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 84 A 8.79 3.96 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 85 A 7.86 3.90 1.34 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 0.00 0.00 86 V 7.61 3.56 1.88 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 0.76 0.00 0.00 0.97 0.00 0.00 87 K 7.60 3.63 0.00 1.88 1.80 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.42 7.81 88 Q 8.59 3.81 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.21 3.26 0.00 89 A 7.92 4.04 1.59 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 0.00 0.00 90 L 8.36 3.78 0.00 1.34 1.55 0.60 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.71 3.42 0.00 1.39 0.66 0.00 2.64 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 92 E 8.16 3.95 0.00 2.19 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 2.35 2.38 0.00 93 A 8.50 4.00 0.64 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 0.00 0.00 94 G 8.73 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.14 4.50 0.00 2.95 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 96 E 8.54 4.19 0.00 2.36 2.15 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 2.45 2.68 0.00 97 F 8.71 4.15 0.00 3.42 3.46 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 98 E 8.33 4.42 0.00 2.19 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 2.67 2.80 0.00 99 L 7.44 4.06 0.00 1.74 1.63 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.68 3.73 0.00 1.23 0.66 0.00 2.52 0.00 0.00 2.99 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.34 0.00 101 Y 6.70 4.44 0.00 2.62 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 0.00 102 R 8.00 4.49 0.00 1.93 2.13 0.00 3.03 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 103 R 8.09 3.86 0.00 1.76 1.95 0.00 3.39 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 A 8.14 3.87 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 0.00 105 F 7.92 3.83 0.00 3.47 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 0.00 106 S 8.27 4.22 0.00 3.93 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 0.00 107 D 7.90 4.93 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.17 4.03 0.00 2.10 1.90 0.53 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.54 4.16 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 1.28 0.00 0.00 110 S 7.76 4.26 0.00 4.18 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 0.00 111 Q 8.00 4.16 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 112 L 8.09 4.23 0.00 1.83 1.89 1.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.13 3.94 0.00 3.41 3.58 0.00 5.80 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.90 4.24 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.09 0.92 0.00 0.00 115 T 8.84 4.76 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 1.29 0.00 0.00 116 P 0.00 4.24 0.00 2.07 2.19 0.00 3.69 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 2.04 2.10 0.00 117 G 8.19 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.04 3.86 4.62 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 1.30 0.00 0.00 119 A 8.37 4.57 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 0.00 120 Y 8.66 2.69 0.00 2.76 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 0.00 121 Q 8.00 3.74 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 122 S 7.67 3.97 0.00 4.00 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 0.00 123 F 7.65 4.11 0.00 2.72 2.48 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 0.00 124 E 7.67 3.97 0.00 1.61 1.71 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 2.21 2.33 0.00 125 Q 7.76 3.94 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 126 V 7.38 3.69 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 0.88 0.00 0.00 0.94 0.00 0.00 127 V 7.68 2.93 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 0.43 0.00 0.00 -0.31 0.00 0.00 128 N 7.87 4.67 0.00 3.08 2.88 0.00 0.00 6.72 7.40 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 0.00 129 E 7.89 3.89 0.00 1.79 1.88 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 0.00 2.20 2.45 0.00 130 L 7.71 3.78 0.00 0.64 0.69 0.50 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.57 4.87 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.55 3.90 0.00 1.70 2.02 0.00 3.27 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 1.75 1.74 0.00 133 D 8.03 4.71 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.30 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 0.00 135 V 7.71 3.84 1.20 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 -0.24 0.00 0.00 0.55 0.00 0.00 136 N 7.83 4.24 0.00 2.91 2.75 0.00 0.00 6.10 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 0.00 137 A 8.61 4.26 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 0.00 138 G 8.27 3.86 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 0.00 139 R 8.94 3.89 0.00 2.05 1.79 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 140 I 7.92 3.98 2.50 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 1.20 0.00 0.00 141 V 8.20 3.61 2.27 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 0.93 0.00 0.00 0.93 0.00 0.00 142 A 8.07 3.44 1.26 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 0.00 0.00 0.00 0.00 0.00 143 F 8.31 4.04 0.00 3.15 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 0.00 144 F 7.93 3.39 0.00 2.64 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 0.00 145 S 8.43 4.44 0.00 3.98 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.38 3.34 0.00 1.54 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.87 3.51 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 0.00 0.00 0.00 148 G 8.16 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 0.00 0.00 0.00 149 A 7.97 4.00 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 0.00 150 L 7.77 3.75 0.00 1.56 1.60 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.37 4.00 0.00 3.04 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 0.00 152 V 7.69 2.91 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 0.89 0.00 0.00 0.74 0.00 0.00 153 E 8.08 3.89 0.00 2.26 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 2.35 2.39 0.00 154 S 7.98 4.04 0.00 3.89 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 0.00 155 V 7.64 3.57 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 1.28 0.00 0.00 0.90 0.00 0.00 156 D 8.02 4.54 0.00 2.85 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 0.00 157 K 7.93 4.36 0.00 1.71 1.83 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.60 7.81 158 E 7.95 3.85 0.00 2.12 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 2.26 2.40 0.00 159 M 8.11 4.76 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 160 Q 8.18 3.89 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 161 V 7.87 3.66 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 0.83 0.00 0.00 0.86 0.00 0.00 162 L 8.06 3.72 0.00 1.60 1.54 0.85 1.04 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 0.00 163 V 7.91 3.50 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 0.78 0.00 0.00 0.62 0.00 0.00 164 S 7.75 4.28 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.15 3.52 0.00 1.63 1.62 0.00 2.72 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 166 I 7.55 2.98 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.10 0.78 0.00 0.00 167 A 7.81 3.94 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 0.00 168 A 7.77 3.94 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 0.00 169 W 7.84 4.57 0.00 2.87 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 0.00 170 M 8.51 4.63 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.22 0.00 171 A 8.38 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.10 3.85 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 0.90 0.00 0.00 173 Y 8.83 4.08 0.00 3.69 3.45 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 0.00 174 L 8.61 3.93 0.00 2.19 1.91 1.32 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.35 4.34 0.00 2.93 2.89 0.00 0.00 7.08 7.64 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 0.00 176 D 8.36 4.25 0.00 2.59 2.35 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 0.00 177 H 8.30 4.41 0.00 2.26 2.84 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.39 4.42 0.00 1.60 1.50 0.17 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.49 3.92 0.00 2.08 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 2.57 2.59 0.00 180 P 0.00 4.21 0.00 2.14 2.06 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 181 W 8.11 4.06 0.00 3.33 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 0.00 182 I 7.84 3.58 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.34 0.00 0.00 183 Q 7.80 3.88 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 184 E 7.48 4.03 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 185 N 7.11 4.61 0.00 1.44 2.04 0.00 0.00 7.20 7.53 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 0.00 186 G 8.60 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 0.00 187 G 8.10 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 0.00 188 W 8.71 4.67 0.00 3.47 3.28 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 0.00 189 D 8.56 4.59 0.00 2.75 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 0.00 190 T 8.11 4.20 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 1.18 0.00 0.00 191 F 8.44 4.21 0.00 3.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.96 3.67 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 0.90 0.00 0.00 1.07 0.00 0.00 193 E 8.29 4.05 0.00 1.99 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 2.32 2.36 0.00 194 L 7.88 4.09 0.00 1.89 1.38 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.23 5.04 0.00 3.33 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 0.00 196 G 8.88 4.35 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 0.00 * Residues marked with a * may have inaccurate shift predictions.