NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2963 8.2649 123.5803 51.8306 19.9331 176.4174 2 E 4.1025 8.4153 119.2899 54.3730 30.6690 175.5409 3 T 4.4816 8.0992 112.9540 60.2367 73.1317 176.0294 4 V 3.5978 8.0856 120.7197 64.8893 31.0391 177.6684 5 E 4.0934 8.0435 118.2256 58.0655 29.8910 178.0410 6 S 4.3272 7.8433 114.3646 61.2406 63.2952 175.6005 7 C 4.1046 7.9184 119.6351 59.8968 39.8403 176.1450 8 L 3.6387 7.5487 117.2403 56.7081 41.2884 177.8233 9 A 4.3946 7.3913 119.7057 52.3344 19.3255 177.8765 10 K 4.2826 7.8368 115.9675 55.8978 32.7174 177.3551 11 S 4.3832 8.5581 117.7428 59.0114 63.4345 174.2011 12 H 5.1905 8.6774 120.7702 56.3275 29.5625 174.8803 13 T 4.6951 8.9114 111.0086 59.9941 72.2513 172.4868 14 E 4.9841 8.3663 123.6492 55.4354 31.2325 174.7839 15 N 3.4948 7.3585 121.5185 52.3847 41.1269 173.1946 16 S 5.6864 8.0061 112.7732 56.0484 65.8164 173.4208 17 F 5.0677 8.4478 118.9672 56.0356 42.5882 174.7068 18 T 4.8657 8.4469 111.2611 60.2891 71.4043 173.4189 19 N 4.3459 8.7352 115.0095 54.3477 35.9111 174.8745 20 V 4.4093 7.8000 117.8296 62.6752 32.3922 175.1646 21 W 5.3200 8.7842 122.9450 54.6783 31.6770 173.9073 22 K 4.9339 8.9482 121.8968 54.9637 34.6423 175.4529 23 D 4.8722 8.9689 125.9348 52.9065 41.1756 176.4202 24 D 4.5040 8.8524 124.9258 55.3493 40.9381 176.5744 25 K 4.1921 7.2750 120.1212 58.9136 32.6442 177.4829 26 T 3.8876 7.9763 113.5407 63.0839 69.2743 175.6312 27 L 3.9038 8.4521 120.1143 54.7711 39.8034 174.0765 28 D 4.3773 7.7952 119.0536 54.2852 42.1612 175.4607 29 R 4.8236 7.8780 119.8485 54.6037 33.6583 174.3413 30 Y 5.5145 8.4038 119.7137 56.5893 42.5839 174.0894 31 A 4.6361 8.8209 120.6868 51.0780 23.2171 174.9205 32 N 5.3982 8.7530 117.6018 52.0175 40.5133 174.4925 33 Y 4.5452 9.2243 124.2420 57.6154 42.2210 174.4701 34 E 3.7230 9.4108 127.3717 57.4926 27.5015 175.7287 35 G 3.9288 8.2103 103.8114 45.7742 0.0000 173.5297 36 C 5.4033 8.2267 116.4036 54.7689 43.0081 172.4025 37 L 5.1455 8.5269 122.9206 53.4832 43.6035 175.1886 38 W 5.4637 9.8679 126.5515 54.9820 32.7450 174.0597 39 N 5.6715 9.9716 121.6085 51.7802 41.5126 173.0293 40 A 3.7084 7.9731 128.2744 51.2321 19.5177 176.5482 41 T 4.3444 8.4371 112.4136 59.5806 72.9484 175.0762 42 G 3.7805 8.8597 109.9751 46.7671 0.0000 174.1697 43 V 4.0841 8.2464 123.9744 61.2370 32.6141 175.1079 44 V 4.4599 8.5107 127.7125 60.9619 34.4586 174.0568 45 V 4.5947 8.9738 128.1247 61.4179 33.6613 173.7180 46 C 5.7266 8.6796 125.0582 55.0309 41.9703 174.0547 47 T 3.9204 8.6838 111.2414 61.2504 69.2035 175.6785 48 G 3.8520 7.8839 111.6689 48.5098 0.0000 174.1461 49 D 4.5491 8.0058 116.8598 52.6532 40.2090 177.0747 50 E 4.3723 8.3964 118.9722 57.6424 27.7094 175.0888 51 T 4.3484 7.5401 112.0064 63.1037 70.8794 174.2186 52 Q 5.1776 7.9464 122.8733 54.3107 31.4836 173.9202 53 C 5.6971 9.1831 123.2957 55.3588 42.5198 172.2773 54 Y 5.0901 9.2859 124.6526 56.2838 40.3728 174.8195 55 G 3.6435 8.2624 112.9094 45.7184 0.0000 170.9873 56 T 4.6941 8.0863 117.8601 62.3864 69.3288 174.2643 57 W 5.1541 9.3412 127.9609 55.2707 31.2823 175.8836 58 V 5.0262 8.9581 124.2532 60.4262 34.0989 172.5421 59 P 4.3533 0.0000 0.0000 61.9137 32.0989 175.6204 60 I 4.3624 10.1267 116.5134 59.5795 38.7852 176.7066 61 G 3.6845 7.3441 109.7803 45.5317 0.0000 172.2608 62 L 4.6424 7.8580 120.0684 54.1460 42.4716 177.2170 63 A 4.3126 8.2336 123.1806 52.5877 19.4216 177.1933 64 I 4.1574 8.6177 120.7051 58.8373 38.3050 172.9918 65 P 4.0472 0.0000 0.0000 62.1486 31.3911 175.3436 *125 S 4.0859 7.7096 113.8564 58.8620 63.3832 170.9454 126 G 3.9787 8.0733 113.1139 46.7945 0.0000 175.6180 127 A 4.1754 7.5597 120.7586 53.8729 19.0720 179.3829 128 D 4.4136 7.9772 117.3024 57.2850 40.9761 178.8584 129 I 4.0182 7.7591 119.9912 64.5892 37.3227 177.7204 130 N 4.4831 8.1807 117.5740 56.7008 38.7193 176.3854 131 N 4.2463 8.3630 118.4221 56.9749 39.1028 176.3600 132 Y 4.0595 8.2532 120.7292 60.3809 38.8374 177.4889 133 A 3.3106 8.0315 122.0626 54.8327 18.4663 179.7162 134 G 2.4278 7.1885 103.9748 47.6443 0.0000 175.9498 135 Q 3.8175 7.4937 120.2268 58.5366 28.6885 178.7586 136 I 3.3475 7.1136 120.9177 63.8990 36.9919 178.2712 137 K 3.6458 7.5821 120.3553 59.6195 32.0164 178.7597 138 S 3.9840 7.8601 113.0203 61.2416 62.0241 175.9515 139 A 3.9215 7.6660 122.6485 55.0105 18.4005 179.3452 140 I 3.8651 7.6474 118.2159 64.2930 37.4326 178.2425 141 E 3.9736 8.4498 120.7451 58.9014 29.2093 178.7295 142 S 4.2134 7.8709 113.3527 60.2052 63.0782 175.4576 143 K 3.7525 7.5183 120.4292 55.2419 32.0707 177.0969 144 F 4.9343 7.4485 124.6113 57.0273 37.7530 175.5364 145 Y 4.5143 8.1123 122.3268 59.4512 38.8393 176.1754 146 D 4.9508 7.4588 118.0950 52.0499 40.1036 178.0664 147 A 2.9289 7.5875 124.7538 56.1426 18.6152 180.5734 148 S 4.5027 7.7187 108.6863 60.1902 63.3695 176.1709 149 S 4.0792 7.7362 116.5394 60.6434 62.6996 174.3060 150 Y 4.6663 8.0578 118.2528 57.2612 38.4741 175.1559 151 A 4.4844 7.5710 123.6991 53.7149 18.7741 179.1638 152 G 4.0324 9.1924 111.2154 44.8742 0.0000 173.4428 153 K 4.7114 7.6539 118.2255 55.0246 34.4728 175.6006 154 T 5.0753 8.0915 116.4088 62.0912 73.0843 173.3911 155 C 5.2893 8.8580 122.9110 55.1699 47.3117 172.3664 156 T 5.1231 8.9076 120.6045 60.4146 69.7575 172.8644 157 L 5.3681 9.2987 127.2288 52.9670 46.9837 174.9896 158 R 5.0996 8.9348 119.7732 54.7812 33.3963 174.6606 159 I 4.7017 9.0210 120.0475 59.4866 41.0309 174.3422 160 K 4.7376 9.0250 123.5784 54.7842 34.2303 174.2251 161 L 5.1985 8.9349 130.1858 53.5071 44.0201 175.8645 162 A 4.6647 8.6939 126.9225 50.3889 20.2643 176.8591 163 P 3.4092 0.0000 0.0000 64.6147 31.5985 177.6514 164 D 4.2582 8.0099 117.3726 55.5960 40.9428 177.4956 165 G 4.0351 8.0905 105.2413 45.3239 0.0000 173.0377 166 M 4.0831 7.5998 120.1095 54.7018 32.8938 174.9767 167 L 4.4642 8.3481 127.6803 54.9451 41.9139 176.2163 168 L 4.2679 9.1929 128.3399 57.8000 42.2427 177.0159 169 D 4.5895 7.7730 115.0280 53.7203 44.6294 174.2299 170 I 5.0816 8.1193 121.7122 59.5800 41.3525 174.0999 171 K 4.6637 8.8001 127.3182 53.9227 36.1188 174.2755 172 P 4.6438 0.0000 0.0000 62.9183 31.7132 176.0124 173 E 4.6298 9.8916 120.1751 54.8567 31.7087 176.2717 174 G 4.0371 8.4388 111.5004 45.8149 0.0000 171.1720 175 G 3.8210 8.3669 104.4933 43.6861 0.0000 172.3320 176 D 4.4070 8.7464 119.2927 53.6597 41.8001 176.2712 177 P 4.2279 0.0000 0.0000 65.7005 31.4242 178.5937 178 A 4.0557 7.9637 119.1600 54.8780 18.3449 179.2780 179 L 3.0435 8.3875 118.9464 58.2567 42.1826 178.4444 180 C 3.9360 8.3712 116.8414 60.1829 36.8833 176.2760 181 Q 3.7739 8.0194 119.2695 58.7457 28.1998 178.6129 182 A 3.8476 7.6713 121.5786 54.7932 18.2519 179.5247 183 A 2.5991 7.4317 119.5870 54.7009 18.1829 179.6405 184 L 3.7102 7.4658 117.1752 57.9500 41.4826 179.7404 185 A 3.9038 7.5316 118.8523 54.9599 18.7408 179.2108 186 A 4.0267 7.9970 119.1000 55.4000 18.5531 179.5410 187 A 3.9672 8.1743 119.5862 55.4890 18.1784 179.8271 188 K 4.0926 7.8683 115.1998 58.5576 32.2641 178.7443 189 L 4.2639 7.6015 117.2910 54.9164 42.2098 177.0567 190 A 4.1120 7.1198 121.9294 51.8608 18.8469 177.7022 191 K 4.3737 8.1925 120.6338 54.5778 32.0901 175.3054 192 I 3.9641 7.9320 124.2574 59.6021 37.8361 174.9220 193 P 4.4482 0.0000 0.0000 61.9096 31.9086 176.1562 194 K 4.0831 8.4081 121.5223 55.7970 32.6909 175.1240 195 P 3.2883 0.0000 0.0000 61.9064 31.7035 174.8039 196 P 4.4506 0.0000 0.0000 64.3598 32.1932 176.8227 197 S 4.5572 7.4380 112.3135 56.1546 66.5033 175.1028 198 Q 4.0418 8.8139 124.5605 59.7612 28.4336 179.0358 199 A 3.9981 7.9389 120.2607 55.1475 18.7668 179.2381 200 V 3.7661 7.9637 116.7788 65.7475 31.5397 177.4129 201 Y 4.2777 8.3490 119.9469 61.1360 38.3752 178.3057 202 E 3.4231 8.0491 117.6485 59.1906 29.2086 179.2919 203 V 3.4960 7.5434 117.9777 64.8049 31.4293 176.9909 204 F 4.8595 7.6539 114.6034 56.7462 40.0589 177.0363 205 K 3.9431 8.1615 119.9522 59.2217 32.1585 176.4160 206 N 5.9602 7.8039 116.0310 51.5040 38.9095 174.9904 207 A 4.4530 8.1661 120.3626 50.9356 20.5952 176.4091 208 P 4.8318 0.0000 0.0000 62.7969 33.1862 175.0070 209 L 5.1861 8.9264 123.9864 53.6166 45.2564 174.7649 210 D 5.5085 9.1185 125.8088 52.6316 44.6981 175.1156 211 F 4.8864 9.3613 120.3443 55.8664 41.4044 174.8554 212 K 4.5292 9.4078 126.1530 53.7978 32.3869 173.5268 213 P 4.5947 0.0000 0.0000 61.7364 32.2963 176.2269 214 A 4.4339 8.2165 123.5356 50.4856 20.1780 176.7971 215 A 3.8536 8.3170 122.0194 52.5985 18.9570 177.9156 *216 A 4.1172 8.4385 122.8585 52.4814 18.9464 176.6944 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 1 A 8.26 4.30 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 2 E 8.42 4.10 0.00 2.03 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 2.29 2.29 0.00 3 T 8.10 4.48 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 V 8.09 3.60 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 0.77 0.00 0.00 0.90 0.00 0.00 5 E 8.04 4.09 0.00 1.97 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 2.28 2.35 0.00 6 S 7.84 4.33 0.00 4.13 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 7 C 7.92 4.10 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.55 3.64 0.00 1.61 1.70 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.39 4.39 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 10 K 7.84 4.28 0.00 1.81 2.07 0.00 1.87 0.00 0.00 1.99 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.70 7.81 11 S 8.56 4.38 0.00 3.99 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 12 H 8.68 5.19 0.00 3.11 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.91 4.70 4.03 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 1.19 0.00 0.00 14 E 8.37 4.98 0.00 1.87 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 2.23 2.29 0.00 15 N 7.36 3.49 0.00 2.16 2.45 0.00 0.00 6.13 7.23 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 16 S 8.01 5.69 0.00 3.98 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 17 F 8.45 5.07 0.00 2.48 2.51 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 18 T 8.45 4.87 4.30 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 1.26 0.00 0.00 19 N 8.74 4.35 0.00 2.97 3.07 0.00 0.00 6.82 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 20 V 7.80 4.41 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 0.92 0.00 0.00 1.22 0.00 0.00 21 W 8.78 5.32 0.00 3.51 3.30 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 22 K 8.95 4.93 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.64 7.81 23 D 8.97 4.87 0.00 3.08 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 24 D 8.85 4.50 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.28 4.19 0.00 1.75 1.98 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 26 T 7.98 3.89 4.37 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 1.28 0.00 0.00 27 L 8.45 3.90 0.00 1.79 1.88 0.92 1.04 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 28 D 7.80 4.38 0.00 2.48 1.64 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 29 R 7.88 4.82 0.00 1.46 1.71 0.00 2.99 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 30 Y 8.40 5.51 0.00 1.43 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 0.00 0.00 0.00 31 A 8.82 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.75 5.40 0.00 2.75 2.84 0.00 0.00 6.67 7.46 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 33 Y 9.22 4.55 0.00 1.91 2.42 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 34 E 9.41 3.72 0.00 1.95 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 1.63 1.47 0.00 35 G 8.21 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 0.00 0.00 0.00 36 C 8.23 5.40 0.00 2.70 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 37 L 8.53 5.15 0.00 1.89 1.47 1.12 1.06 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 38 W 9.87 5.46 0.00 3.33 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.97 5.67 0.00 2.97 2.75 0.00 0.00 7.09 8.45 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 40 A 7.97 3.71 -0.15 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 0.00 0.00 41 T 8.44 4.34 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 42 G 8.86 3.78 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 0.00 0.00 0.00 43 V 8.25 4.08 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 0.35 0.00 0.00 -0.01 0.00 0.00 44 V 8.51 4.46 1.93 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 0.79 0.00 0.00 0.63 0.00 0.00 45 V 8.97 4.59 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 0.78 0.00 0.00 0.76 0.00 0.00 46 C 8.68 5.73 0.00 2.97 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 47 T 8.68 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 48 G 7.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.01 4.55 0.00 2.84 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 50 E 8.40 4.37 0.00 2.18 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 2.26 2.40 0.00 51 T 7.54 4.35 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 1.28 0.00 0.00 52 Q 7.95 5.18 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 53 C 9.18 5.70 0.00 3.23 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 54 Y 9.29 5.09 0.00 2.97 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 55 G 8.26 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 0.00 0.00 0.00 56 T 8.09 4.69 4.30 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 1.23 0.00 0.00 57 W 9.34 5.15 0.00 3.07 3.35 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 58 V 8.96 5.03 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 0.94 0.00 0.00 0.74 0.00 0.00 59 P 0.00 4.35 0.00 1.72 0.65 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 60 I 10.13 4.36 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.97 0.00 0.00 61 G 7.34 3.68 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 0.00 0.00 0.00 62 L 7.86 4.64 0.00 1.52 1.59 0.92 0.81 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 63 A 8.23 4.31 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 64 I 8.62 4.16 2.01 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 1.31 0.96 0.81 0.00 0.00 65 P 0.00 4.05 0.00 2.00 2.04 0.00 3.95 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 2.00 1.98 0.00 *125 S 7.71 4.09 0.00 3.87 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 0.00 126 G 8.07 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 0.00 0.00 0.00 127 A 7.56 4.18 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 0.00 128 D 7.98 4.41 0.00 2.91 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 0.00 129 I 7.76 4.02 1.98 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 1.57 0.73 1.12 0.00 0.00 130 N 8.18 4.48 0.00 2.90 3.02 0.00 0.00 6.93 6.07 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 0.00 131 N 8.36 4.25 0.00 2.94 2.99 0.00 0.00 6.84 6.86 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 0.00 132 Y 8.25 4.06 0.00 3.11 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 0.00 133 A 8.03 3.31 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 0.00 134 G 7.19 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 0.00 0.00 0.00 135 Q 7.49 3.82 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 136 I 7.11 3.35 1.47 0.00 0.00 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 0.80 -0.30 0.67 0.00 0.00 137 K 7.58 3.65 0.00 1.61 1.64 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.39 7.81 138 S 7.86 3.98 0.00 3.84 3.78 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 0.00 139 A 7.67 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 0.00 140 I 7.65 3.87 1.75 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 1.37 0.93 0.97 0.00 0.00 141 E 8.45 3.97 0.00 1.89 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 2.25 2.27 0.00 142 S 7.87 4.21 0.00 4.05 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 0.00 143 K 7.52 3.75 0.00 1.87 1.73 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.18 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.52 7.81 144 F 7.45 4.93 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.11 4.51 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.46 4.95 0.00 2.79 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 0.00 147 A 7.59 2.93 0.77 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 0.00 0.00 148 S 7.72 4.50 0.00 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.74 4.08 0.00 3.72 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 0.00 150 Y 8.06 4.67 0.00 3.18 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 0.00 151 A 7.57 4.48 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 0.00 152 G 9.19 4.03 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 0.00 153 K 7.65 4.71 0.00 2.02 1.81 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.68 7.81 154 T 8.09 5.08 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 1.23 0.00 0.00 155 C 8.86 5.29 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.91 5.12 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 157 L 9.30 5.37 0.00 1.57 1.57 0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.93 5.10 0.00 1.87 1.76 0.00 3.08 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 159 I 9.02 4.70 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.92 0.00 0.00 160 K 9.03 4.74 0.00 1.85 1.81 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.44 7.81 161 L 8.93 5.20 0.00 1.78 1.75 0.99 1.33 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 0.00 162 A 8.69 4.66 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 0.00 163 P 0.00 3.41 0.00 1.72 1.37 0.00 3.54 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.39 0.00 164 D 8.01 4.26 0.00 2.56 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 0.00 165 G 8.09 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 0.00 166 M 7.60 4.08 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 167 L 8.35 4.46 0.00 1.63 1.60 0.93 1.02 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 0.00 168 L 9.19 4.27 0.00 1.67 1.73 0.99 1.20 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 0.00 169 D 7.77 4.59 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 8.12 5.08 1.85 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 1.27 0.87 0.86 0.00 0.00 171 K 8.80 4.66 0.00 1.69 1.60 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 172 P 0.00 4.64 0.00 1.88 1.89 0.00 3.57 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 1.96 2.02 0.00 173 E 9.89 4.63 0.00 1.88 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 2.21 2.21 0.00 174 G 8.44 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 0.00 175 G 8.37 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 0.00 176 D 8.75 4.41 0.00 2.78 2.59 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 0.00 177 P 0.00 4.23 0.00 2.19 2.07 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 178 A 7.96 4.06 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 0.00 179 L 8.39 3.04 0.00 1.74 1.73 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 180 C 8.37 3.94 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.02 3.77 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 182 A 7.67 3.85 1.02 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 0.00 183 A 7.43 2.60 -0.32 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 0.00 184 L 7.47 3.71 0.00 1.72 1.63 0.82 0.61 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 0.00 185 A 7.53 3.90 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 0.00 186 A 8.00 4.03 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 0.00 187 A 8.17 3.97 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 0.00 188 K 7.87 4.09 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.64 7.81 189 L 7.60 4.26 0.00 1.82 1.74 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.12 4.11 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 0.00 191 K 8.19 4.37 0.00 1.72 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 192 I 7.93 3.96 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.79 0.00 0.00 193 P 0.00 4.45 0.00 2.18 2.03 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 194 K 8.41 4.08 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.54 7.81 195 P 0.00 3.29 0.00 1.92 1.57 0.00 3.83 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 2.09 0.00 196 P 0.00 4.45 0.00 2.13 2.11 0.00 3.38 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 197 S 7.44 4.56 0.00 4.01 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 0.00 198 Q 8.81 4.04 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 199 A 7.94 4.00 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 0.00 200 V 7.96 3.77 2.13 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 1.14 0.00 0.00 0.97 0.00 0.00 201 Y 8.35 4.28 0.00 3.01 3.13 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 0.00 202 E 8.05 3.42 0.00 1.87 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 2.59 2.45 0.00 203 V 7.54 3.50 1.94 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 0.16 0.00 0.00 0.85 0.00 0.00 204 F 7.65 4.86 0.00 3.32 3.09 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 0.00 205 K 8.16 3.94 0.00 1.70 1.48 0.00 0.80 0.00 0.00 1.25 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.37 7.81 206 N 7.80 5.96 0.00 2.66 2.79 0.00 0.00 6.93 7.23 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 0.00 207 A 8.17 4.45 1.51 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 0.00 208 P 0.00 4.83 0.00 2.15 2.21 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 209 L 8.93 5.19 0.00 1.77 1.54 0.87 1.17 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 0.00 210 D 9.12 5.51 0.00 2.53 2.51 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 0.00 211 F 9.36 4.89 0.00 2.72 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 0.00 212 K 9.41 4.53 0.00 1.68 1.53 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.38 7.81 213 P 0.00 4.59 0.00 2.24 2.12 0.00 4.09 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 214 A 8.22 4.43 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 0.00 215 A 8.32 3.85 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 *216 A 8.44 4.12 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 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.