NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4466 8.3033 121.7423 56.1900 31.1518 174.2192 4 I 4.9539 8.4748 127.2774 59.0515 40.9722 173.6921 5 I 4.3150 9.3701 128.1045 58.6918 39.9246 173.2278 6 P 4.5159 0.0000 0.0000 62.9474 31.5551 175.8662 7 V 4.1153 8.2461 120.6882 63.8783 33.3981 175.1312 8 S 4.5477 7.9377 110.2094 57.8861 65.6799 174.1014 9 T 3.9903 8.7547 116.5151 66.6548 68.2330 175.2693 10 T 4.4777 7.8765 108.6500 61.1618 70.4698 173.3474 11 L 5.4497 7.5443 122.9467 53.2667 44.9305 175.2144 12 E 4.9416 8.8197 118.1820 55.4774 33.4327 173.6498 13 L 5.1990 8.6813 121.2480 53.2602 44.5101 175.6658 14 R 5.2185 9.1566 121.9070 53.8862 33.4900 175.0408 15 A 4.1219 8.9146 125.7518 51.9956 18.9818 177.1799 16 A 3.9617 8.5445 124.7326 52.7305 18.9918 176.5972 17 D 4.9499 9.1781 120.3583 51.4552 45.0528 176.0019 18 E 4.1049 8.8696 122.7972 59.7336 29.1470 179.8028 19 S 4.2139 9.0859 113.6224 61.1865 63.1259 175.5986 20 H 4.5922 8.5458 119.8618 57.2360 28.5963 177.2251 21 V 3.6258 7.6030 120.8978 65.8149 30.7362 175.8678 22 P 4.2674 0.0000 0.0000 65.8528 31.2877 178.4479 23 A 4.1085 7.9841 118.7493 54.9551 18.3914 179.2582 24 L 3.9469 8.2637 119.1353 58.5395 42.1047 178.4673 25 H 4.1124 8.5380 118.3363 59.5634 29.6315 177.0799 26 Q 3.9665 7.7584 118.5526 58.9815 28.5383 178.7472 27 L 4.0369 7.9123 121.1132 57.9733 41.9341 178.7018 28 V 3.4285 8.5572 118.4966 66.1327 31.4782 177.2227 29 L 4.0056 7.8539 118.7578 58.2755 42.0021 178.6894 30 K 4.0574 8.0903 118.0913 58.8198 32.1308 177.4221 31 N 4.5927 8.2858 115.3351 54.8271 40.0573 176.0663 *51 T 4.4306 7.5677 115.5448 63.6032 70.7891 176.0639 52 R 3.9176 7.9506 120.3492 59.3026 30.0654 178.1753 53 K 4.0562 8.0277 118.8706 59.7725 32.1674 177.8662 54 H 4.0899 8.1231 117.8534 59.3099 29.8050 177.1671 55 V 3.5717 8.5637 120.7700 66.2033 31.3354 177.8178 56 Q 4.0883 9.0143 119.1058 59.0768 28.4240 179.3267 57 G 3.6305 8.5072 107.0066 47.9605 0.0000 175.5507 58 N 4.4222 8.3240 118.8398 55.7637 38.5115 177.6590 59 I 3.6477 7.9825 121.7155 64.2241 37.0369 178.3307 60 L 3.9809 7.7185 119.4583 57.9291 41.4228 179.6139 61 L 4.0420 7.7043 118.9714 58.0172 41.3896 179.0762 62 H 4.9116 8.3009 119.7207 59.0553 29.5986 177.3785 63 Q 4.0801 8.1469 118.4353 58.0785 28.6363 177.7428 64 R 4.1487 7.3483 117.2396 55.1679 30.5259 176.8138 65 G 3.8797 7.3967 106.8263 46.6999 0.0000 174.0162 66 Y 4.9725 7.8805 117.7253 58.3138 39.5560 174.9837 67 A 4.9264 7.4735 119.6084 51.6787 22.8314 174.9147 68 K 4.6767 8.7535 117.3294 55.0311 37.0425 175.8815 69 M 4.9068 8.5935 122.4919 54.1840 35.1382 173.3726 70 Y 5.1844 8.9839 124.0729 56.1966 41.7837 174.7072 71 L 4.7763 9.1067 122.5837 53.3067 44.2315 175.5609 72 I 4.5351 8.0139 124.7653 60.1988 38.8725 174.6827 73 F 4.9560 9.0519 125.9471 55.5712 42.2784 173.8889 74 C 4.9874 8.7151 123.5125 57.9037 34.0349 173.8970 75 Q 3.5175 10.0731 127.0069 57.2686 26.5755 174.5651 76 N 4.3942 8.5225 110.8741 53.5153 36.5986 173.8110 77 E 4.7230 7.9666 120.1160 54.1776 31.2964 174.8229 78 M 3.2894 8.6673 125.5626 55.2544 32.9333 175.4568 79 A 3.8129 8.7240 127.4666 50.6255 21.2845 175.8680 80 G 3.0341 5.9597 101.3908 45.4095 0.0000 170.9743 81 V 4.5211 6.7229 118.5349 60.6704 34.8929 175.2193 82 L 5.0868 8.9543 128.9641 53.5268 44.6889 175.2720 83 S 5.2039 9.4240 122.0835 56.8342 67.6181 173.5515 84 F 5.4813 8.7949 121.0384 56.0980 39.4122 176.0090 85 N 4.5956 9.4222 123.0613 56.3659 39.1247 175.3498 86 A 5.0163 8.0193 117.4228 50.9656 22.9647 175.2171 87 I 4.9806 8.3710 118.7127 59.8261 41.6002 175.9348 88 E 4.4897 9.0819 125.8630 53.6878 29.4555 174.6911 89 P 4.2610 0.0000 0.0000 65.6667 31.8757 178.2537 90 I 3.8613 7.7689 116.9601 64.3438 37.0781 176.7716 91 N 4.4844 8.1143 114.4069 52.9706 39.3084 174.6606 92 K 3.7734 7.6748 117.6392 57.7423 30.4542 174.1692 93 A 4.9491 7.4520 118.1148 49.9245 22.6820 176.3832 94 A 4.8205 8.1925 122.2171 50.1674 22.8092 174.4527 95 Y 4.9198 8.6020 118.9790 56.5048 40.1124 175.1419 96 I 5.0364 9.3555 126.1591 60.7322 38.6117 175.6378 97 G 4.6078 9.3734 112.8957 45.1672 0.0000 170.7932 98 Y 5.5082 8.4983 118.1862 56.0723 40.9588 173.5302 99 W 4.8037 8.6244 115.8781 55.4068 31.8285 173.2670 100 L 5.1004 8.5632 121.8200 52.5765 44.3929 175.9247 101 D 4.9673 9.1821 123.0918 54.3576 41.9432 176.9912 102 E 4.0027 9.0715 122.4214 59.4793 29.4303 178.2263 103 S 4.3788 8.8604 111.6623 58.5481 63.3295 174.2267 104 F 4.8635 8.3479 119.1731 57.5496 39.4779 175.0468 105 Q 4.4758 8.1283 119.7425 55.6520 30.0824 176.2740 106 G 4.1715 8.7607 106.5740 46.7247 0.0000 174.1039 107 Q 4.4352 7.6431 116.6144 55.0245 29.1961 177.0787 108 G 4.1689 8.3022 105.1363 46.5397 0.0000 176.1485 109 I 3.6865 7.3312 122.4278 64.3490 37.0018 178.1116 110 M 3.8448 7.8345 118.5659 58.5944 32.1198 178.2099 111 S 4.0975 7.8362 114.8114 61.8013 63.0828 176.6487 112 Q 3.9839 8.4363 121.0638 58.9274 28.4052 178.8166 113 S 4.0417 8.2175 116.4793 61.4339 62.7501 176.5356 114 L 3.8720 8.4238 123.3976 58.1766 41.8267 179.0322 115 Q 3.8895 8.1167 117.9142 58.7148 28.5572 178.6351 116 A 3.9419 7.8993 121.9177 54.9066 18.4445 179.4457 117 L 3.8342 8.0163 119.0372 58.5930 42.0908 179.1495 118 M 3.6044 8.1455 118.8599 58.4576 31.6850 178.9137 119 T 3.8462 7.8524 115.9153 66.8533 68.5792 176.1652 120 H 4.0616 8.3974 120.1722 59.6203 29.7985 176.9605 121 Y 3.7507 8.5098 118.2506 60.6426 37.5469 177.9382 122 A 4.1659 8.4708 121.6910 55.3136 18.5644 179.5972 123 R 4.0139 8.0304 115.7780 59.2936 30.1808 179.1744 124 R 3.9790 7.7296 117.2006 58.6861 30.2434 178.3227 125 G 4.0378 8.9595 106.1768 45.1457 0.0000 173.6520 126 D 4.6504 7.8583 117.3662 54.1823 40.1719 176.3641 127 I 4.6198 7.6329 120.5540 59.6871 40.8385 174.7362 128 R 4.6733 8.5989 119.4499 55.2950 32.2137 174.6903 129 R 4.6541 7.3367 120.2798 54.4121 32.6114 174.0530 130 F 4.9453 9.1850 126.1810 55.6092 41.6068 174.9239 131 V 5.0793 9.1555 123.7025 61.1323 34.6927 174.1195 132 I 4.8032 9.1035 128.1086 59.6030 39.7923 174.4281 133 K 5.3204 8.9531 127.1000 54.8104 33.9093 175.5750 134 C 4.9350 9.1222 118.9658 56.3269 33.6743 173.7788 135 R 4.3784 8.7301 119.1848 56.6500 30.3218 178.0203 136 V 3.5959 8.6943 123.1011 65.9998 31.6338 176.6212 137 D 4.6092 7.9965 116.2057 53.4507 39.6977 176.6815 138 N 4.6094 8.0373 120.3727 52.5159 38.3945 174.7617 139 Q 3.9692 8.4430 128.3537 58.7992 29.3709 177.6449 140 A 4.0060 7.9853 121.1581 55.4783 18.6017 179.6644 141 S 4.2447 8.5285 113.6794 61.8472 62.8740 176.7337 142 N 4.2382 8.2592 118.9593 56.2248 38.2378 177.3355 143 A 3.9601 7.9007 121.7760 54.8910 18.5337 179.8539 144 V 3.3361 7.6797 116.5463 65.9629 31.6098 177.9659 145 A 3.2772 7.6019 120.4274 55.1541 17.8938 179.9232 146 R 3.8979 7.7563 116.3670 59.4493 29.9555 179.5534 147 R 4.0218 8.2536 116.9801 58.1270 29.9498 177.7429 148 N 4.7527 7.5812 114.4925 52.4043 39.6226 174.1428 149 H 4.1524 7.6646 114.9935 56.9917 26.8601 175.1983 150 F 4.4517 8.3642 116.5597 57.5615 40.1575 175.7090 151 T 4.6945 8.9494 118.8939 61.9052 70.5764 173.8387 152 L 4.0782 8.7177 128.7070 55.1901 41.8789 176.1759 153 E 4.2735 9.1386 127.3007 57.1930 30.7279 176.5499 154 G 3.9358 6.8872 105.6787 46.3601 0.0000 171.0314 155 C 5.2313 8.4403 119.4866 57.7101 33.9436 173.0483 156 M 4.4104 9.2642 127.5796 53.9502 32.9392 175.8540 157 K 4.3230 8.7622 126.3211 57.0457 33.0757 176.5616 158 Q 3.4874 9.4460 127.2750 57.0114 26.9465 174.6941 159 A 4.3169 8.1264 119.6233 52.9855 19.7815 177.6658 160 E 4.6606 8.3319 117.3593 54.2412 31.7926 174.1463 161 Y 4.4439 8.6090 127.6025 57.0189 40.0776 173.8760 162 L 4.0412 8.3972 126.5710 55.4281 46.0257 174.4157 163 N 4.2147 9.5442 123.8570 54.4155 35.8479 175.2820 164 G 4.0022 7.3911 103.3644 45.0889 0.0000 172.3720 165 D 4.8889 6.9734 118.1324 52.4642 45.3311 174.2121 166 Y 4.9458 8.4937 117.5707 56.9322 39.6116 175.1188 167 H 4.9767 9.3009 122.0637 53.9522 31.6837 174.5072 168 D 5.0971 8.6364 120.7864 54.5789 42.4546 175.3786 169 V 4.8081 8.6629 120.9543 61.2573 35.0086 174.2528 170 N 4.9570 9.4341 125.8697 52.9929 40.2243 173.6005 171 M 5.1365 9.1245 123.2667 54.0995 34.5868 174.0274 172 Y 5.5132 9.3465 123.6477 56.4424 41.7331 174.6509 173 A 5.5008 9.4527 123.1573 50.6671 23.5972 175.0258 174 R 4.6585 9.0482 119.8206 54.5304 33.4844 173.8997 175 I 4.9490 8.4113 126.4398 59.8147 39.3681 175.4322 176 I 4.4837 8.6437 126.9480 59.7236 39.4422 174.1646 177 D 4.1548 8.3084 133.1395 53.9907 45.3671 176.0075 178 A 4.3211 8.3582 121.4623 51.1099 19.1715 177.2564 179 D 4.5243 8.4659 118.0335 54.7977 40.8619 176.8716 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 3 E 8.30 4.45 0.00 2.14 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 2.46 2.47 0.00 4 I 8.47 4.95 1.86 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 1.34 0.39 0.96 0.00 0.00 5 I 9.37 4.32 1.58 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.51 0.67 0.00 0.00 6 P 0.00 4.52 0.00 1.90 1.96 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 7 V 8.25 4.12 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 0.85 0.00 0.00 0.89 0.00 0.00 8 S 7.94 4.55 0.00 3.94 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 9 T 8.75 3.99 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 10 T 7.88 4.48 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 11 L 7.54 5.45 0.00 1.60 1.55 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.82 4.94 0.00 2.01 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 2.23 2.31 0.00 13 L 8.68 5.20 0.00 1.41 1.47 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.16 5.22 0.00 1.92 1.89 0.00 2.36 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 15 A 8.91 4.12 1.12 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 0.00 0.00 16 A 8.54 3.96 1.25 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 0.00 0.00 0.00 17 D 9.18 4.95 0.00 2.74 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 0.00 0.00 0.00 0.00 18 E 8.87 4.10 0.00 2.00 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 2.41 2.33 0.00 19 S 9.09 4.21 0.00 3.92 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 20 H 8.55 4.59 0.00 3.34 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.60 3.63 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 1.14 0.00 0.00 1.06 0.00 0.00 22 P 0.00 4.27 0.00 2.23 2.14 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 23 A 7.98 4.11 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 24 L 8.26 3.95 0.00 1.81 1.76 1.05 1.14 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 25 H 8.54 4.11 0.00 3.41 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.76 3.97 0.00 2.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 27 L 7.91 4.04 0.00 1.89 2.01 1.06 0.72 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 28 V 8.56 3.43 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 0.78 0.00 0.00 1.09 0.00 0.00 29 L 7.85 4.01 0.00 1.60 1.80 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.09 4.06 0.00 1.90 2.05 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.51 7.81 31 N 8.29 4.59 0.00 2.68 2.75 0.00 0.00 7.02 7.17 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 *51 T 7.57 4.43 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 1.28 0.00 0.00 52 R 7.95 3.92 0.00 1.86 1.92 0.00 3.19 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 53 K 8.03 4.06 0.00 1.87 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 54 H 8.12 4.09 0.00 3.31 3.53 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.56 3.57 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 1.08 0.00 0.00 1.03 0.00 0.00 56 Q 9.01 4.09 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 57 G 8.51 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.32 4.42 0.00 2.85 2.86 0.00 0.00 7.03 6.83 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 59 I 7.98 3.65 2.02 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 1.60 0.99 0.88 0.00 0.00 60 L 7.72 3.98 0.00 1.81 1.73 0.94 1.09 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 61 L 7.70 4.04 0.00 1.86 1.84 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.30 4.91 0.00 3.29 3.36 0.00 5.65 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 63 Q 8.15 4.08 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 64 R 7.35 4.15 0.00 0.91 1.03 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.70 0.00 65 G 7.40 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.88 4.97 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.47 4.93 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 68 K 8.75 4.68 0.00 1.59 1.35 0.00 1.40 0.00 0.00 1.14 0.00 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.76 7.81 69 M 8.59 4.91 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 70 Y 8.98 5.18 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.11 4.78 0.00 1.65 1.16 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.01 4.54 1.54 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 1.09 0.58 0.72 0.00 0.00 73 F 9.05 4.96 0.00 2.99 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 74 C 8.72 4.99 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 10.07 3.52 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.79 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 76 N 8.52 4.39 0.00 2.92 2.99 0.00 0.00 7.00 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 77 E 7.97 4.72 0.00 2.13 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 2.31 2.33 0.00 78 M 8.67 3.29 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 79 A 8.72 3.81 -0.17 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 0.00 0.00 80 G 5.96 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 81 V 6.72 4.52 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 0.94 0.00 0.00 0.65 0.00 0.00 82 L 8.95 5.09 0.00 1.67 1.42 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.42 5.20 0.00 3.86 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 84 F 8.79 5.48 0.00 3.10 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 85 N 9.42 4.60 0.00 2.76 3.01 0.00 0.00 6.72 7.38 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 86 A 8.02 5.02 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 87 I 8.37 4.98 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.96 0.00 0.00 88 E 9.08 4.49 0.00 1.85 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 2.30 2.42 0.00 89 P 0.00 4.26 0.00 2.10 2.23 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 90 I 7.77 3.86 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 1.43 0.48 0.91 0.00 0.00 91 N 8.11 4.48 0.00 2.67 2.81 0.00 0.00 7.03 7.61 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 92 K 7.67 3.77 0.00 1.87 1.71 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.33 7.81 93 A 7.45 4.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.19 4.82 0.26 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 95 Y 8.60 4.92 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.36 5.04 2.03 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 1.62 0.89 1.05 0.00 0.00 97 G 9.37 4.61 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 0.00 98 Y 8.50 5.51 0.00 3.02 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 99 W 8.62 4.80 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.56 5.10 0.00 1.67 1.71 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 101 D 9.18 4.97 0.00 2.92 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 0.00 102 E 9.07 4.00 0.00 2.17 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 2.37 2.29 0.00 103 S 8.86 4.38 0.00 3.58 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 0.00 104 F 8.35 4.86 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.13 4.48 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.21 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 106 G 8.76 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 0.00 0.00 0.00 107 Q 7.64 4.44 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 108 G 8.30 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 0.00 0.00 0.00 109 I 7.33 3.69 1.89 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.85 0.00 0.00 110 M 7.83 3.84 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.85 0.00 111 S 7.84 4.10 0.00 3.98 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 0.00 112 Q 8.44 3.98 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 113 S 8.22 4.04 0.00 3.92 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 0.00 114 L 8.42 3.87 0.00 1.63 1.65 0.99 0.92 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 0.00 115 Q 8.12 3.89 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 116 A 7.90 3.94 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 0.00 117 L 8.02 3.83 0.00 1.63 1.77 0.72 0.58 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 0.00 118 M 8.15 3.60 0.00 1.11 1.73 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 2.55 1.46 0.00 119 T 7.85 3.85 4.45 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 1.20 0.00 0.00 120 H 8.40 4.06 0.00 3.27 3.56 0.00 5.78 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 0.00 121 Y 8.51 3.75 0.00 3.67 3.42 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 0.00 122 A 8.47 4.17 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 0.00 123 R 8.03 4.01 0.00 1.83 1.96 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 124 R 7.73 3.98 0.00 1.81 2.01 0.00 2.74 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 1.45 1.35 0.00 125 G 8.96 4.04 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 0.00 126 D 7.86 4.65 0.00 2.88 2.86 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 0.00 127 I 7.63 4.62 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.04 0.00 0.00 128 R 8.60 4.67 0.00 1.78 2.05 0.00 2.66 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.00 129 R 7.34 4.65 0.00 1.70 1.54 0.00 3.07 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 130 F 9.19 4.95 0.00 3.04 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 0.00 131 V 9.16 5.08 1.76 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 1.26 0.00 0.00 0.72 0.00 0.00 132 I 9.10 4.80 1.68 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.90 0.00 0.00 133 K 8.95 5.32 0.00 1.74 1.81 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.64 7.81 134 C 9.12 4.93 0.00 3.03 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 0.00 135 R 8.73 4.38 0.00 1.79 2.03 0.00 2.97 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 136 V 8.69 3.60 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 1.03 0.00 0.00 137 D 8.00 4.61 0.00 2.80 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 0.00 138 N 8.04 4.61 0.00 2.79 2.91 0.00 0.00 6.82 6.32 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 0.00 139 Q 8.44 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 140 A 7.99 4.01 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 0.00 141 S 8.53 4.24 0.00 3.96 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 0.00 142 N 8.26 4.24 0.00 2.81 2.95 0.00 0.00 6.89 7.10 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 0.00 143 A 7.90 3.96 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 0.00 144 V 7.68 3.34 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 0.64 0.00 0.00 0.74 0.00 0.00 145 A 7.60 3.28 0.13 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 0.00 146 R 7.76 3.90 0.00 1.83 1.99 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 147 R 8.25 4.02 0.00 1.66 1.93 0.00 3.27 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 148 N 7.58 4.75 0.00 2.97 2.97 0.00 0.00 7.00 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.66 4.15 0.00 3.25 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.36 4.45 0.00 2.96 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 0.00 151 T 8.95 4.69 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 1.27 0.00 0.00 152 L 8.72 4.08 0.00 1.52 1.56 0.31 0.86 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 0.00 153 E 9.14 4.27 0.00 2.00 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 2.34 2.49 0.00 154 G 6.89 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 0.00 0.00 0.00 155 C 8.44 5.23 0.00 2.91 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 0.00 156 M 9.26 4.41 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 157 K 8.76 4.32 0.00 1.77 1.73 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 158 Q 9.45 3.49 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 159 A 8.13 4.32 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 0.00 160 E 8.33 4.66 0.00 2.04 1.85 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 2.22 2.25 0.00 161 Y 8.61 4.44 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.40 4.04 0.00 1.51 1.29 0.78 0.38 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 0.00 163 N 9.54 4.21 0.00 2.73 2.72 0.00 0.00 7.14 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 0.00 164 G 7.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 6.97 4.89 0.00 2.33 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 0.00 0.00 0.00 0.00 166 Y 8.49 4.95 0.00 2.88 3.19 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 0.00 167 H 9.30 4.98 0.00 3.05 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.64 5.10 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 0.00 169 V 8.66 4.81 2.12 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 1.09 0.00 0.00 1.03 0.00 0.00 170 N 9.43 4.96 0.00 2.71 2.24 0.00 0.00 6.10 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 0.00 171 M 9.12 5.14 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 172 Y 9.35 5.51 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 9.45 5.50 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 0.00 174 R 9.05 4.66 0.00 0.67 1.17 0.00 2.99 0.00 0.00 2.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 175 I 8.41 4.95 1.86 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 1.33 1.00 0.95 0.00 0.00 176 I 8.64 4.48 2.12 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.95 0.00 0.00 177 D 8.31 4.15 0.00 2.56 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 0.00 0.00 0.00 0.00 178 A 8.36 4.32 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 0.00 179 D 8.47 4.52 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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.