NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.2685 8.3149 120.0019 56.7981 35.4377 176.7398 22 L 4.2706 7.5725 121.5185 52.8066 40.1612 175.7267 23 I 4.1971 8.0898 118.2380 61.6851 39.3436 177.5128 24 E 4.1285 8.1490 121.3248 59.4723 29.9882 179.2547 25 S 4.6656 8.1647 112.3766 60.6431 63.3164 174.5713 26 L 4.5032 7.0876 119.6803 53.9377 41.3185 177.0411 27 Q 4.6121 7.7580 116.1415 56.6433 33.9211 174.4667 28 E 4.7194 8.0373 112.6074 56.4546 31.4877 174.2834 29 N 4.8117 7.8160 116.7713 53.3427 38.3880 174.3755 30 E 5.0070 8.4008 118.6578 54.6670 33.2338 174.8093 31 L 4.0887 8.3918 118.3884 54.7049 42.9667 176.6761 32 L 4.5267 7.9364 121.8157 53.5029 42.7440 177.5774 33 N 4.5790 8.9461 122.2202 52.6589 39.7012 176.5029 34 T 3.8283 8.2250 118.9648 67.2059 68.6475 176.1678 35 D 4.3750 8.1216 120.1326 57.3763 40.8568 178.5749 36 E 3.9729 8.7270 119.3155 58.9126 29.3847 179.3376 37 K 3.8539 8.0724 119.8564 59.4955 32.3402 178.7366 38 K 3.8778 7.8918 119.5615 59.3093 31.8815 178.3431 39 K 3.8454 8.1913 119.9670 59.6444 32.0419 178.7976 40 I 3.7064 7.4498 119.4779 64.4611 37.0945 178.3877 41 I 3.6375 7.7241 120.5575 64.6794 36.9067 178.3121 42 D 4.3503 8.4927 119.9572 57.3525 40.3441 178.8994 43 Q 3.9296 7.5921 118.1212 58.9100 28.7432 178.4800 44 I 3.6466 7.4092 120.0964 63.9920 37.3742 178.1093 45 K 4.0317 7.9831 120.5660 59.5579 32.1042 179.5172 46 T 3.6104 7.8555 112.6859 64.7225 68.0393 175.3940 *48 H 4.5953 8.1280 123.1843 56.2990 31.7452 175.1378 49 D 4.3735 7.9792 119.1956 56.8977 40.3312 178.4983 50 F 4.1234 7.7291 120.1507 61.2924 39.5363 176.7293 51 F 4.5214 7.8006 115.3819 60.7141 39.0998 176.9457 52 K 4.2437 7.8368 120.2529 58.7596 32.0593 179.8591 53 Q 3.9558 8.0598 119.6636 55.7176 28.3561 177.8776 *55 H 4.7899 8.2181 116.4429 55.5583 30.5766 174.0954 56 T 4.2199 7.6285 115.8552 64.2504 68.8400 174.2871 57 N 4.8865 7.8895 120.4859 51.4880 41.0533 174.9259 58 K 4.1275 8.6853 126.1451 59.0584 32.5908 178.9596 59 G 3.5681 8.0475 105.3858 47.6010 0.0000 175.2574 60 A 3.9103 8.5180 123.5791 54.8864 18.5029 179.5299 61 L 3.6602 7.4563 118.4633 58.2793 42.1640 178.7142 62 D 4.4123 8.0562 118.0012 57.1126 41.1269 178.1148 63 K 3.9097 8.2034 120.4268 59.2435 32.1391 179.0298 64 V 3.4670 7.6731 118.7657 65.6454 31.1805 178.0794 65 L 4.0294 7.5512 117.7851 57.7440 41.4873 179.3661 66 R 3.9187 7.6882 116.9611 58.3826 30.0416 177.7832 67 N 4.8228 7.7206 113.6026 53.4427 39.8663 174.9577 68 Y 4.6653 8.2093 119.1715 57.6938 38.7387 177.7224 *70 K 4.0558 8.1214 122.0291 55.6764 33.8635 174.3853 71 D 4.7622 7.7117 117.1735 52.0063 42.1606 174.0143 72 Y 4.2093 8.9448 127.5147 60.9133 38.9307 177.8883 73 R 3.4569 7.5513 116.4803 59.8880 31.3409 177.4615 74 A 4.0700 9.0636 120.1293 54.9723 18.5721 179.9154 75 V 3.5584 7.6164 116.9249 66.1660 31.4308 178.3499 76 I 3.9265 6.9168 110.6801 63.2674 37.3711 178.0943 77 K 4.1517 7.6127 119.2083 59.2193 32.4864 178.8528 78 S 4.2672 8.6116 114.3390 60.9224 62.8449 175.4936 79 I 4.1675 7.6714 119.0336 61.8542 39.0824 176.5722 80 G 4.2109 8.1982 106.7225 46.1060 0.0000 174.9449 81 V 3.9331 8.3716 114.5452 64.0470 31.5395 178.6205 82 D 4.3649 8.1813 118.8867 56.3089 38.6621 178.3165 83 K 3.9764 7.9119 120.8992 58.7407 32.3042 178.9165 84 F 4.0782 8.0542 117.8471 60.4040 38.7853 177.2479 85 K 4.1369 8.3563 118.3450 59.3449 32.2902 178.3998 86 K 4.0222 7.5683 119.2523 59.7119 32.1995 179.1229 87 V 3.3955 7.2050 111.7653 64.6418 31.2911 178.3184 88 Y 4.2032 7.5512 115.6943 60.8000 37.5495 178.8069 89 R 3.9903 7.8408 119.0484 59.1128 30.2055 178.6586 90 L 4.1099 7.6889 119.4737 57.6227 42.1061 178.7643 91 L 4.0950 8.2045 119.7331 57.5157 41.3619 178.8278 92 E 4.2112 8.4473 120.8295 58.7826 29.3545 179.0188 93 S 4.1938 7.7629 113.8153 61.8838 63.3155 176.2811 94 E 4.4690 8.3777 121.3997 59.4091 28.7403 180.2552 95 T 3.6912 8.2105 109.1617 61.7551 68.6682 175.9533 *97 E 4.2943 8.1757 123.7262 57.1838 31.7298 177.2670 98 L 3.4347 7.9002 119.9069 57.8599 41.9327 178.5543 99 L 3.8129 7.6352 120.1967 58.6181 41.9165 178.7945 100 H 4.2095 7.9628 115.3003 58.4950 28.6605 177.2698 101 A 3.7979 8.0747 123.0279 55.2758 17.9056 179.5962 102 I 3.6518 7.6955 116.8202 64.4919 37.2631 178.2650 103 A 4.1039 7.6032 119.9891 55.2494 18.4724 179.1062 104 E 4.2808 8.3388 115.5314 57.4464 30.8311 177.1740 105 N 4.9591 8.0080 115.5340 51.3025 40.4526 173.0974 106 P 4.2002 0.0000 0.0000 65.7382 31.7063 177.4712 107 N 4.7825 8.1199 111.1482 53.9973 38.6000 174.7935 108 F 3.5987 8.2113 122.9147 58.8633 40.1318 175.2386 109 L 3.7341 8.0428 127.9117 55.4332 37.6391 174.7601 110 F 4.2563 8.1396 123.6192 60.4628 39.9649 174.2520 111 S 5.2018 8.2899 114.0819 55.9397 65.7436 174.2346 112 K 4.2043 8.2409 118.2431 59.1251 31.6035 179.2011 113 F 4.4039 8.3644 121.0945 61.2134 39.2346 176.4500 114 D 4.4402 8.0448 116.7068 56.2011 40.3758 178.0742 115 R 4.1052 7.8608 119.0764 57.8411 29.5874 178.0039 116 S 4.2782 7.7717 114.3055 60.0713 63.2339 176.1555 117 I 3.9418 8.0659 124.7368 64.2996 36.7733 178.0196 118 L 4.4801 7.9374 120.1986 57.6584 41.2253 179.3927 119 G 3.8155 7.6986 104.1323 47.3916 0.0000 175.2139 120 I 3.9446 7.4232 120.9334 63.5674 37.4526 177.3096 121 F 5.0593 8.2375 117.8033 58.7673 39.6049 177.8756 122 L 4.3368 8.3611 118.6399 57.7813 41.2388 177.5362 123 P 4.2770 0.0000 0.0000 64.3490 31.2317 176.8930 124 F 5.1344 8.0534 113.9987 57.1176 39.8862 175.2943 125 F 4.9631 8.4096 122.1032 59.5295 41.4033 175.5075 126 S 4.0221 8.5270 115.4237 57.5498 62.7056 173.6720 127 K 3.5438 8.2656 129.1787 58.8806 32.4691 176.1055 128 P 4.3799 0.0000 0.0000 65.8079 31.3310 178.6964 129 I 3.5261 7.6094 113.6116 62.7566 36.7374 176.4501 *131 F 5.3818 7.9693 123.4498 58.3836 40.7355 177.0851 132 K 4.0406 7.8927 122.1575 55.9184 31.0106 175.9271 *134 S 4.2603 7.7924 111.3922 57.6778 64.2760 173.7701 135 I 3.8627 8.2982 120.1742 64.8121 37.2729 177.9729 136 R 4.0544 8.2375 118.6790 59.6846 30.1637 179.1467 137 E 3.8023 7.8368 114.3517 57.8000 30.0096 178.3605 *139 D 4.4526 8.2370 120.3504 54.2978 42.9756 177.8065 140 S 4.2254 8.0805 114.1159 61.1633 62.9224 176.1738 141 Q 4.0607 8.2379 123.3623 59.1595 28.7968 178.2779 142 I 3.7628 7.7635 120.3935 64.2304 37.3219 177.8342 143 E 3.8795 8.2390 120.1148 59.1384 29.4602 178.3383 144 L 3.9416 8.5391 120.6020 58.6252 42.1431 178.4445 145 Y 3.9394 8.6024 116.7860 61.1963 37.6476 179.1474 146 G 3.7073 8.2141 105.3960 47.5355 0.0000 175.1085 147 T 4.2427 7.4267 110.3856 63.8691 69.2224 177.1892 148 K 4.0268 8.1381 121.3418 59.0509 32.0391 178.9830 149 L 3.9341 7.2904 117.5063 57.6003 41.7067 177.5661 150 P 4.4248 0.0000 0.0000 64.7037 32.7386 177.3865 151 L 4.6186 7.0723 115.7587 52.6904 40.3467 176.1879 152 L 4.3048 7.6734 115.7275 55.3128 46.9937 176.2019 153 K 4.0811 7.6555 114.4671 58.1977 28.9936 173.8319 154 L 3.9814 7.1288 124.3242 55.1743 42.9182 178.4317 155 F 4.1244 8.2650 118.1821 58.0216 36.7083 175.4691 156 V 4.0014 7.0841 119.3551 61.8237 32.4832 174.9369 *158 T 4.2275 7.9350 112.9697 61.1884 69.7228 173.6870 159 D 4.5281 8.7819 121.6122 57.6224 41.3411 177.8949 160 E 4.1309 8.4786 119.3399 59.5611 29.8566 179.0563 161 E 4.1368 8.2298 114.6899 57.4929 29.1880 178.4955 *163 N 4.6236 8.2784 117.7549 53.5399 40.5988 176.0633 164 F 3.8821 8.0829 119.3556 62.0905 39.0263 176.7544 165 Y 3.6779 8.0497 115.0980 60.9640 37.7815 178.4493 166 A 4.1302 7.8881 120.4358 55.0787 18.6140 178.7085 167 N 4.3845 7.7602 113.3665 53.7451 39.2129 175.8205 168 L 3.4167 6.2416 119.1178 55.0752 42.1710 176.9798 169 K 4.5189 8.5505 120.0228 56.9156 35.0056 176.9337 170 T 4.9467 7.5027 107.1859 58.9498 73.2608 174.7107 171 I 4.1806 8.4251 115.2656 63.7134 37.6441 178.1575 172 E 3.9841 8.2209 120.7362 59.4481 29.4823 178.4302 173 Q 4.0070 7.8680 119.2953 59.5017 29.0818 177.6062 174 Y 4.2824 7.8803 120.1743 61.2802 38.7815 178.0744 175 N 4.1882 8.7640 117.3302 56.3775 38.5196 176.9941 176 D 4.3472 7.9727 119.6847 56.9580 40.8874 178.0220 177 Y 3.9953 8.3203 120.0587 60.4255 38.8813 178.0650 178 V 3.6531 7.8382 119.8350 63.9046 31.7862 178.2440 179 R 3.3962 7.5852 118.7006 59.0782 29.9532 177.3175 180 D 4.2940 8.2210 115.7906 54.4184 41.2672 175.8626 181 L 3.9097 8.3731 124.8256 55.9196 42.4793 174.0856 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 21 K 8.31 4.27 0.00 1.90 2.03 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.52 7.81 22 L 7.57 4.27 0.00 2.00 1.84 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.09 4.20 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.92 0.00 0.00 24 E 8.15 4.13 0.00 2.05 2.03 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 2.43 2.27 0.00 25 S 8.16 4.67 0.00 4.33 4.32 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 26 L 7.09 4.50 0.00 1.58 1.45 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.76 4.61 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 28 E 8.04 4.72 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 29 N 7.82 4.81 0.00 3.01 3.22 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 30 E 8.40 5.01 0.00 2.02 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 0.00 2.26 2.29 0.00 31 L 8.39 4.09 0.00 1.42 1.38 0.78 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.94 4.53 0.00 1.64 1.54 1.01 0.80 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 33 N 8.95 4.58 0.00 2.98 2.90 0.00 0.00 6.52 7.37 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 34 T 8.22 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 35 D 8.12 4.38 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.73 3.97 0.00 2.11 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 2.32 2.54 0.00 37 K 8.07 3.85 0.00 1.80 1.99 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 K 7.89 3.88 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.62 7.81 39 K 8.19 3.85 0.00 2.00 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 I 7.45 3.71 2.01 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 1.78 0.78 0.91 0.00 0.00 41 I 7.72 3.64 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.86 0.00 0.00 42 D 8.49 4.35 0.00 2.61 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 43 Q 7.59 3.93 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 I 7.41 3.65 1.88 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 1.32 0.61 0.67 0.00 0.00 45 K 7.98 4.03 0.00 1.78 1.88 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.37 1.59 7.81 46 T 7.86 3.61 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 1.23 0.00 0.00 *48 H 8.13 4.60 0.00 3.10 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.37 0.00 2.75 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 50 F 7.73 4.12 0.00 3.14 2.87 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 51 F 7.80 4.52 0.00 3.21 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 52 K 7.84 4.24 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.29 7.81 53 Q 8.06 3.96 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.16 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 *55 H 8.22 4.79 0.00 3.25 3.67 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.63 4.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 57 N 7.89 4.89 0.00 2.83 2.64 0.00 0.00 6.68 6.40 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 58 K 8.69 4.13 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 59 G 8.05 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 0.00 0.00 0.00 60 A 8.52 3.91 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 61 L 7.46 3.66 0.00 1.63 1.61 0.82 1.17 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 62 D 8.06 4.41 0.00 2.91 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 63 K 8.20 3.91 0.00 1.86 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 64 V 7.67 3.47 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 0.18 0.00 0.00 0.83 0.00 0.00 65 L 7.55 4.03 0.00 1.97 1.90 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.69 3.92 0.00 1.55 1.70 0.00 2.83 0.00 0.00 2.79 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 67 N 7.72 4.82 0.00 3.03 2.97 0.00 0.00 6.93 7.34 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 68 Y 8.21 4.67 0.00 3.08 3.05 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 0.00 0.00 0.00 *70 K 8.12 4.06 0.00 1.30 1.64 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.50 7.81 71 D 7.71 4.76 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 72 Y 8.94 4.21 0.00 3.23 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 73 R 7.55 3.46 0.00 1.91 2.23 0.00 3.26 0.00 0.00 3.37 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 74 A 9.06 4.07 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 75 V 7.62 3.56 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 1.32 0.00 0.00 1.13 0.00 0.00 76 I 6.92 3.93 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.53 0.00 0.00 77 K 7.61 4.15 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.44 7.81 78 S 8.61 4.27 0.00 3.84 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 79 I 7.67 4.17 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.58 0.57 0.00 0.00 80 G 8.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.93 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 0.93 0.00 0.00 0.99 0.00 0.00 82 D 8.18 4.36 0.00 2.95 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 83 K 7.91 3.98 0.00 1.69 1.57 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.24 1.37 7.81 84 F 8.05 4.08 0.00 3.40 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 85 K 8.36 4.14 0.00 2.04 1.92 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.54 7.81 86 K 7.57 4.02 0.00 1.96 1.91 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 87 V 7.20 3.40 1.07 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 0.38 0.00 0.00 0.03 0.00 0.00 88 Y 7.55 4.20 0.00 3.19 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 89 R 7.84 3.99 0.00 2.01 1.91 0.00 3.08 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 90 L 7.69 4.11 0.00 1.72 1.77 0.93 0.67 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 91 L 8.20 4.09 0.00 1.53 0.77 0.67 -0.40 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 92 E 8.45 4.21 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 93 S 7.76 4.19 0.00 4.12 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 94 E 8.38 4.47 0.00 2.50 2.57 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 2.84 2.68 0.00 95 T 8.21 3.69 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 0.92 0.00 0.00 *97 E 8.18 4.29 0.00 2.24 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 0.00 2.54 2.52 0.00 98 L 7.90 3.43 0.00 0.27 1.44 0.61 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.64 3.81 0.00 1.81 1.41 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.96 4.21 0.00 3.33 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.07 3.80 0.93 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 0.00 102 I 7.70 3.65 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.77 0.92 0.00 0.00 103 A 7.60 4.10 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 0.00 104 E 8.34 4.28 0.00 1.90 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 2.31 2.39 0.00 105 N 8.01 4.96 0.00 2.71 2.69 0.00 0.00 6.84 9.24 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 0.00 106 P 0.00 4.20 0.00 2.08 2.16 0.00 3.71 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 2.06 2.18 0.00 107 N 8.12 4.78 0.00 2.93 2.90 0.00 0.00 6.85 7.45 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 0.00 108 F 8.21 3.60 0.00 2.53 2.88 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 0.00 109 L 8.04 3.73 0.00 1.80 1.93 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.14 4.26 0.00 2.92 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 5.20 0.00 4.35 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 0.00 112 K 8.24 4.20 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.46 7.81 113 F 8.36 4.40 0.00 3.27 3.33 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 0.00 114 D 8.04 4.44 0.00 2.88 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 0.00 115 R 7.86 4.11 0.00 1.95 1.99 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 116 S 7.77 4.28 0.00 3.87 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 0.00 117 I 8.07 3.94 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.24 1.36 0.00 0.00 118 L 7.94 4.48 0.00 1.89 1.87 1.01 0.82 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 0.00 119 G 7.70 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 0.00 120 I 7.42 3.94 1.10 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 1.39 0.50 0.52 0.00 0.00 121 F 8.24 5.06 0.00 3.38 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 0.00 122 L 8.36 4.34 0.00 1.88 1.89 1.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.28 0.00 1.48 1.85 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 124 F 8.05 5.13 0.00 3.20 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 0.00 125 F 8.41 4.96 0.00 3.41 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 0.00 126 S 8.53 4.02 0.00 3.90 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 0.00 127 K 8.27 3.54 0.00 0.79 1.34 0.00 1.43 0.00 0.00 1.30 0.00 0.00 2.32 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.00 0.62 7.81 128 P 0.00 4.38 0.00 2.20 2.06 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 129 I 7.61 3.53 2.04 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 1.22 0.79 0.91 0.00 0.00 *131 F 7.97 5.38 0.00 3.10 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 0.00 132 K 7.89 4.04 0.00 1.92 1.81 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *134 S 7.79 4.26 0.00 4.03 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 0.00 135 I 8.30 3.86 1.88 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 1.42 0.82 0.92 0.00 0.00 136 R 8.24 4.05 0.00 1.83 1.99 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 137 E 7.84 3.80 0.00 2.24 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 0.00 2.33 2.27 0.00 *139 D 8.24 4.45 0.00 2.88 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 0.00 140 S 8.08 4.23 0.00 4.11 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 0.00 141 Q 8.24 4.06 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 142 I 7.76 3.76 1.93 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.71 0.00 0.00 143 E 8.24 3.88 0.00 2.25 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 0.00 2.30 2.36 0.00 144 L 8.54 3.94 0.00 1.94 1.97 0.91 1.07 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 0.00 145 Y 8.60 3.94 0.00 3.22 2.96 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 0.00 146 G 8.21 3.71 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 0.00 147 T 7.43 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 K 8.14 4.03 0.00 1.66 1.75 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.40 7.81 149 L 7.29 3.93 0.00 1.81 1.77 0.75 1.54 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 0.00 150 P 0.00 4.42 0.00 2.00 2.12 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 151 L 7.07 4.62 0.00 1.63 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.67 4.30 0.00 1.68 1.67 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.66 4.08 0.00 1.85 2.07 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 154 L 7.13 3.98 0.00 1.21 0.35 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.26 4.12 0.00 3.29 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 0.00 156 V 7.08 4.00 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 0.81 0.00 0.00 1.01 0.00 0.00 *158 T 7.93 4.23 4.28 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 1.29 0.00 0.00 159 D 8.78 4.53 0.00 2.72 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 0.00 160 E 8.48 4.13 0.00 2.04 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 2.43 2.40 0.00 161 E 8.23 4.14 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 *163 N 8.28 4.62 0.00 3.08 2.94 0.00 0.00 6.63 8.13 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 0.00 164 F 8.08 3.88 0.00 3.12 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 0.00 165 Y 8.05 3.68 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.89 4.13 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 0.00 167 N 7.76 4.38 0.00 2.60 2.72 0.00 0.00 7.02 7.57 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 0.00 168 L 6.24 3.42 0.00 1.18 0.60 0.21 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.55 4.52 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.31 7.81 170 T 7.50 4.95 4.32 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 1.26 0.00 0.00 171 I 8.43 4.18 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.24 1.01 0.00 0.00 172 E 8.22 3.98 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 173 Q 7.87 4.01 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 174 Y 7.88 4.28 0.00 3.10 3.33 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 0.00 175 N 8.76 4.19 0.00 3.00 2.85 0.00 0.00 7.12 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 7.97 4.35 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 0.00 177 Y 8.32 4.00 0.00 3.19 3.12 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 0.00 178 V 7.84 3.65 1.68 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 0.42 0.00 0.00 0.68 0.00 0.00 179 R 7.59 3.40 0.00 1.99 1.99 0.00 3.22 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 180 D 8.22 4.29 0.00 2.58 2.67 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 0.00 181 L 8.37 3.91 0.00 1.54 1.50 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.