NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4551 8.3349 115.3058 58.4657 63.4672 172.3015 1 L 4.5147 8.4139 116.0527 54.7285 43.6448 174.8082 2 I 5.1208 8.5548 120.3889 59.4576 40.8702 174.6701 3 R 4.6589 9.1996 125.7667 54.2555 33.7852 174.2621 4 I 4.8436 8.3450 122.8680 59.3558 40.7279 174.3229 5 G 4.5295 9.1635 114.8349 44.9180 0.0000 170.7019 6 H 5.5083 8.7823 120.0734 54.1670 33.7814 172.2457 7 G 4.4140 9.1087 111.4226 44.5540 0.0000 171.1040 8 F 5.5794 8.6056 123.2764 56.6836 42.8124 173.1745 9 D 4.4896 7.8689 123.5654 53.0048 45.7661 174.3061 10 V 4.6701 7.8703 119.1145 61.4184 35.2844 174.1232 11 H 4.7357 9.0093 125.7065 54.2226 32.4077 172.0019 12 A 4.4556 8.0379 128.1300 50.8924 19.4152 176.9172 13 F 4.6175 8.2506 121.9079 57.8608 39.8481 175.5320 14 G 4.3576 8.2044 110.1776 45.7707 0.0000 171.1661 15 E 4.9129 7.8011 113.4418 55.9080 32.9372 174.8851 16 D 5.7423 8.9144 120.6378 52.7528 44.6244 175.2760 17 R 4.8911 8.7526 116.9433 54.0224 33.3744 172.1927 18 P 5.0593 0.0000 0.0000 62.2058 33.0616 175.0561 19 L 4.8687 8.9695 121.2681 53.1516 46.2287 175.3587 20 I 4.8129 8.3663 122.9445 59.8842 38.7675 175.3682 21 I 4.4810 8.6461 128.2875 60.4805 40.3808 175.8928 22 G 4.0266 9.7222 113.5051 46.6654 0.0000 174.2933 23 G 3.9003 8.5338 104.9372 45.2245 0.0000 174.2477 24 V 4.3918 7.6042 119.2316 60.4881 34.0945 173.8821 25 E 4.8686 8.6187 127.2489 55.8847 30.4525 175.8465 26 V 4.7374 9.1715 119.5898 58.8704 36.1345 173.2326 27 P 4.9575 0.0000 0.0000 62.8065 32.9883 174.9216 28 Y 4.5668 8.8727 122.3531 56.2241 41.6496 173.4370 29 H 5.2404 8.5005 127.0080 55.6047 31.3557 174.1286 30 T 4.4567 9.2846 122.3284 63.1141 71.3973 175.2117 31 G 4.0389 8.7487 112.1077 44.0098 0.0000 172.3035 32 F 3.9110 8.5281 119.9687 58.3402 39.5996 175.0550 33 I 3.6694 7.1610 128.2073 60.4797 37.2591 175.8505 34 A 4.2331 8.3181 128.8782 53.3359 18.5705 176.9928 35 H 4.8968 8.7260 113.0421 55.6086 30.9244 172.6022 36 S 4.5365 7.5997 113.6564 58.1796 64.9314 174.1429 37 D 4.4555 8.3957 119.1150 53.7389 39.3155 177.1096 38 G 3.6471 8.1031 108.0284 46.8963 0.0000 175.1444 39 D 4.5009 8.2124 121.3402 52.8891 39.4067 176.6106 40 V 3.5557 7.9730 118.5511 63.7572 31.9639 177.5140 41 A 3.9687 7.9202 120.0102 55.2516 18.3359 179.5476 42 L 4.0104 7.8590 117.5323 57.8369 41.6387 179.2512 43 H 4.1744 8.2109 116.0752 58.8792 28.6441 177.5146 44 A 4.4952 7.9066 123.5735 54.6311 18.1838 179.2702 45 L 3.8857 7.7332 118.3283 58.6885 42.2225 179.2906 46 T 3.8692 8.3963 115.8580 66.8617 68.4411 176.3096 47 D 4.4500 8.5040 120.8705 57.1977 40.7268 178.7241 48 A 4.1873 8.2585 122.9427 54.7339 18.5634 179.7863 49 I 3.6282 7.9392 118.3972 64.5994 37.2265 178.7867 50 L 4.1578 8.2731 120.2193 57.6669 41.4302 179.8568 51 G 3.6546 8.7358 105.9871 47.5466 0.0000 175.5408 52 A 4.6441 8.3359 123.6734 53.8532 18.3607 178.6063 53 A 4.1663 7.1625 115.0358 50.5492 19.9302 176.7774 54 A 3.6896 7.6726 120.1971 54.6700 16.4738 178.4307 55 L 4.6706 8.4967 115.6806 55.0804 44.1604 179.8557 56 G 3.7711 10.0184 113.1615 45.6217 0.0000 175.9671 57 D 4.4176 8.8794 122.0571 52.2162 42.1374 176.5929 58 I 3.7118 9.0879 120.1462 64.3343 37.7573 177.6574 59 G 3.7661 8.3566 107.4588 47.2166 0.0000 174.0019 60 K 4.4020 8.1050 118.1960 56.2541 33.2638 177.3719 61 L 3.9410 7.5401 119.4836 57.5043 41.5764 178.3408 62 F 4.8622 7.6489 117.9560 54.9879 38.2685 174.4453 63 P 4.5209 0.0000 0.0000 62.8614 30.9294 178.3188 *71 N 4.7328 8.2193 117.4079 53.9669 40.7028 175.7451 72 A 4.2434 7.8933 120.5985 54.1613 19.2817 176.7249 73 D 4.5603 7.8690 116.4830 53.9929 41.8952 177.1801 74 S 4.3035 9.0846 123.6700 61.5578 62.7048 176.9267 75 R 4.2382 8.1328 121.0258 58.8557 29.7071 179.3578 76 G 3.6148 7.9913 104.9286 47.7965 0.0000 175.8212 77 L 4.1126 7.9650 121.3888 57.2685 41.6725 179.1488 78 L 4.0497 8.3300 121.9516 57.7683 41.9782 179.3321 79 R 4.0134 8.3336 118.2432 59.1625 29.9562 178.5945 80 E 3.8893 8.8075 119.2889 59.2748 29.6390 178.7258 81 A 3.9354 8.2115 120.8847 55.1126 18.4072 179.4127 82 F 4.0643 8.4485 119.1532 61.3911 39.4778 177.4184 83 R 3.7607 8.3866 118.0396 59.5690 29.9886 179.0274 84 Q 3.9641 8.1398 117.6488 58.9250 28.6282 179.2465 85 V 3.6809 7.6351 119.3094 65.7682 31.4596 177.8748 86 Q 3.9232 7.9734 120.9370 58.7474 28.7031 178.1406 87 E 3.7082 8.4355 118.1253 58.6891 29.4731 178.4939 88 K 4.4196 7.3097 115.1671 55.6461 32.5897 176.8283 89 G 3.6486 8.7354 108.6250 46.1942 0.0000 172.7907 90 Y 5.1457 7.6142 116.1472 55.8672 41.1758 174.7990 91 K 4.7824 9.0005 121.5619 54.6264 36.6374 175.2847 92 I 3.8561 8.7104 125.6760 61.5655 36.9761 175.8166 93 G 3.9656 9.4999 118.0125 47.4445 0.0000 172.7731 94 N 5.2593 7.6382 115.3105 50.9759 41.1994 172.8088 95 V 4.8826 9.0327 119.7532 61.2357 35.5071 173.7040 96 D 5.2081 8.8861 125.7374 52.6388 44.4862 174.0283 97 I 5.0798 8.8302 126.2242 59.7695 41.1886 174.7348 98 T 5.0063 9.1535 122.6745 61.9096 71.4564 173.0394 99 I 4.5282 8.9585 129.0096 60.4484 38.9985 175.2297 100 I 4.8298 9.0751 128.8555 60.0796 38.7621 174.4865 101 A 4.7133 8.4255 127.5050 50.2081 22.3220 176.6141 102 Q 4.2263 8.3398 123.3587 55.0122 27.9619 175.0069 103 A 4.8072 7.3642 121.0843 49.7752 22.6031 172.8638 104 P 4.3340 0.0000 0.0000 64.2867 32.2080 176.8574 105 K 3.9980 7.9971 129.0678 54.2044 30.7955 178.2507 *107 R 4.4411 8.2248 125.7122 55.2209 31.8537 176.0186 108 P 4.3070 0.0000 0.0000 65.0352 31.6617 176.6080 109 H 4.6528 8.0210 113.7227 55.9891 29.5714 176.7899 110 I 3.6845 7.3678 120.7023 64.7115 37.2934 177.1015 111 D 4.4380 8.2236 118.8809 57.4098 40.9371 178.6284 112 A 4.0368 7.8422 120.6026 52.6804 17.9752 179.4341 *114 R 4.1930 8.1924 120.0412 57.8922 32.3475 177.9956 115 A 3.9496 7.9813 119.3062 55.2343 18.2950 179.6994 116 K 3.8581 7.7876 116.4330 59.9097 32.1783 179.7242 117 I 3.6716 7.7481 119.1062 64.0302 37.0183 178.2710 118 A 3.9319 8.2675 122.3216 55.1986 18.1845 179.2133 119 E 3.8022 8.5009 117.4907 59.8158 29.3762 179.2689 120 D 4.2825 8.1310 118.3135 57.0345 41.0676 177.8000 121 L 3.5966 7.6581 116.0374 53.5401 42.5382 176.1167 122 Q 3.2462 7.5423 117.5347 56.4261 26.3474 171.2076 123 C 4.6852 7.7172 110.4079 56.7297 33.7186 173.3401 124 D 4.5427 9.4304 119.2661 53.5219 41.3894 176.8346 125 I 3.8229 8.2724 124.5980 62.8446 38.0726 176.3988 126 E 4.3831 8.1932 119.2011 57.6993 29.9025 176.0611 127 Q 4.5646 8.4286 116.9541 56.3118 30.2046 174.8424 128 V 4.7968 7.4626 118.5280 60.9706 33.9895 174.1780 129 N 5.0997 9.2248 126.5332 51.7261 41.9879 173.0710 130 V 4.9462 8.4246 124.8066 60.9792 34.4677 174.4143 131 K 4.8782 9.5459 126.3844 54.9902 36.1492 174.8144 132 A 5.2142 8.4431 122.0307 50.8084 22.1856 174.9359 133 T 4.7159 8.9133 115.2924 61.3895 71.8264 171.7829 134 T 4.9666 8.3053 112.9795 59.7514 72.5388 173.6185 135 T 4.2917 8.3144 108.8431 60.7383 69.5224 174.5770 136 E 3.8091 8.9064 119.3111 58.2790 27.0664 175.1748 137 K 4.0421 8.6575 112.4598 56.9677 31.3899 176.3747 138 L 4.5002 7.4648 119.0844 53.9218 43.7194 178.0597 139 G 4.2707 8.4113 110.4903 44.8815 0.0000 174.2155 140 F 4.3955 8.4160 113.1065 60.0977 37.7475 177.4370 141 T 4.3541 6.3800 111.4459 63.8126 68.5312 176.8972 142 G 3.9237 7.6142 108.7393 46.9561 0.0000 174.8478 143 R 4.3238 8.0619 117.4800 55.1579 30.4445 176.2923 144 Q 3.7728 7.8483 116.7014 57.2907 26.8782 174.3679 145 E 4.4279 8.5820 117.4403 56.8068 30.4656 176.4826 146 G 3.3493 6.8836 103.9995 45.9552 0.0000 171.5812 147 I 5.0289 7.4526 111.8498 59.2806 41.6605 173.9276 148 A 5.1945 9.0358 123.7371 51.0192 23.5489 174.4244 149 C 5.1088 8.5086 117.6941 58.2671 35.6227 172.2494 150 E 5.3414 9.5542 126.4686 54.6596 32.3704 174.3742 151 A 5.1776 8.7972 125.9505 50.7660 23.4853 175.4666 152 V 5.0442 8.7817 112.6462 59.6239 36.1262 174.7501 153 A 5.0664 9.1883 124.7040 50.1632 23.1507 174.5552 154 L 5.0732 8.6591 122.7839 53.2903 44.7305 175.1244 155 L 5.2107 9.2159 126.7769 53.1740 44.5095 175.4459 156 I 5.0917 9.0409 123.6684 59.1656 40.3461 174.9735 157 R 4.0954 8.8254 128.7875 56.1032 30.4884 176.1286 158 Q 4.2249 8.8047 127.4916 56.5830 28.6360 175.9922 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 0 S 8.33 4.46 0.00 3.89 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 1 L 8.41 4.51 0.00 1.74 1.69 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.55 5.12 1.90 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 1.37 0.52 0.93 0.00 0.00 3 R 9.20 4.66 0.00 1.35 1.68 0.00 3.30 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 0.00 4 I 8.34 4.84 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.90 0.00 0.00 5 G 9.16 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.78 5.51 0.00 3.17 3.09 0.00 5.62 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 7 G 9.11 4.41 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 0.00 8 F 8.61 5.58 0.00 3.14 2.94 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 9 D 7.87 4.49 0.00 2.55 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 10 V 7.87 4.67 1.84 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 0.57 0.00 0.00 0.80 0.00 0.00 11 H 9.01 4.74 0.00 3.21 3.05 0.00 5.82 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 12 A 8.04 4.46 0.97 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 0.00 0.00 13 F 8.25 4.62 0.00 3.03 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 14 G 8.20 4.36 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 0.00 15 E 7.80 4.91 0.00 2.01 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 2.11 2.35 0.00 16 D 8.91 5.74 0.00 2.58 2.63 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 17 R 8.75 4.89 0.00 1.87 2.00 0.00 2.55 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 18 P 0.00 5.06 0.00 2.11 2.10 0.00 3.72 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 1.95 2.00 0.00 19 L 8.97 4.87 0.00 1.58 1.53 0.77 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.37 4.81 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 1.35 0.54 0.91 0.00 0.00 21 I 8.65 4.48 1.89 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 1.25 1.05 0.92 0.00 0.00 22 G 9.72 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 23 G 8.53 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.60 4.39 2.20 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 1.01 0.00 0.00 0.97 0.00 0.00 25 E 8.62 4.87 0.00 2.03 1.84 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 2.28 2.48 0.00 26 V 9.17 4.74 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 0.75 0.00 0.00 1.05 0.00 0.00 27 P 0.00 4.96 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 28 Y 8.87 4.57 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.50 5.24 0.00 3.15 3.02 0.00 5.93 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.28 4.46 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 1.30 0.00 0.00 31 G 8.75 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 32 F 8.53 3.91 0.00 2.96 2.99 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 33 I 7.16 3.67 1.45 0.00 0.00 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 1.02 0.69 0.73 0.00 0.00 34 A 8.32 4.23 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 35 H 8.73 4.90 0.00 3.22 3.32 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.60 4.54 0.00 4.02 3.81 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 37 D 8.40 4.46 0.00 2.74 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 38 G 8.10 3.65 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 0.00 0.00 0.00 39 D 8.21 4.50 0.00 2.77 2.41 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 40 V 7.97 3.56 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 0.82 0.00 0.00 0.90 0.00 0.00 41 A 7.92 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.86 4.01 0.00 1.59 1.71 0.93 1.10 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 43 H 8.21 4.17 0.00 3.26 3.39 0.00 5.63 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 44 A 7.91 4.50 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 45 L 7.73 3.89 0.00 1.90 1.89 0.93 0.63 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 46 T 8.40 3.87 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 1.27 0.00 0.00 47 D 8.50 4.45 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.26 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.94 3.63 2.01 0.00 0.00 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 1.56 0.92 0.95 0.00 0.00 50 L 8.27 4.16 0.00 1.66 1.69 0.92 1.12 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 51 G 8.74 3.65 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 0.00 0.00 0.00 52 A 8.34 4.64 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 53 A 7.16 4.17 1.11 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 0.00 0.00 54 A 7.67 3.69 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 55 L 8.50 4.67 0.00 1.66 1.63 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.02 3.77 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 0.00 57 D 8.88 4.42 0.00 3.06 2.75 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 58 I 9.09 3.71 1.95 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 1.22 1.32 0.87 0.00 0.00 59 G 8.36 3.77 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 0.00 60 K 8.11 4.40 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.38 7.81 61 L 7.54 3.94 0.00 1.57 1.33 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.65 4.86 0.00 3.04 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 63 P 0.00 4.52 0.00 2.20 2.15 0.00 3.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 *71 N 8.22 4.73 0.00 2.66 2.95 0.00 0.00 7.06 7.35 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 72 A 7.89 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.87 4.56 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.08 4.30 0.00 3.90 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 75 R 8.13 4.24 0.00 2.04 2.06 0.00 3.12 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 76 G 7.99 3.61 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 77 L 7.97 4.11 0.00 1.93 1.78 0.98 0.73 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 78 L 8.33 4.05 0.00 1.80 1.95 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.33 4.01 0.00 2.08 2.03 0.00 3.22 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 1.82 1.91 0.00 80 E 8.81 3.89 0.00 2.05 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 1.69 2.13 0.00 81 A 8.21 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.45 4.06 0.00 3.11 3.24 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 83 R 8.39 3.76 0.00 2.03 1.95 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 84 Q 8.14 3.96 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 85 V 7.64 3.68 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 0.97 0.00 0.00 0.91 0.00 0.00 86 Q 7.97 3.92 0.00 1.46 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 87 E 8.44 3.71 0.00 2.02 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 2.45 2.46 0.00 88 K 7.31 4.42 0.00 2.02 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 89 G 8.74 3.65 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 0.00 0.00 0.00 90 Y 7.61 5.15 0.00 3.13 2.80 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 91 K 9.00 4.78 0.00 1.97 1.84 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 92 I 8.71 3.86 1.96 0.00 0.00 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 1.33 0.61 0.94 0.00 0.00 93 G 9.50 3.97 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 0.00 0.00 0.00 94 N 7.64 5.26 0.00 2.74 2.89 0.00 0.00 5.39 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 95 V 9.03 4.88 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 1.01 0.00 0.00 0.95 0.00 0.00 96 D 8.89 5.21 0.00 2.79 2.45 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 97 I 8.83 5.08 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 1.22 0.42 0.91 0.00 0.00 98 T 9.15 5.01 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 99 I 8.96 4.53 1.88 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 1.23 0.70 0.97 0.00 0.00 100 I 9.08 4.83 1.87 0.00 0.00 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 1.17 0.83 0.85 0.00 0.00 101 A 8.43 4.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.34 4.23 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 103 A 7.36 4.81 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 0.00 104 P 0.00 4.33 0.00 2.19 1.99 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 105 K 8.00 4.00 0.00 1.80 1.71 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *107 R 8.22 4.44 0.00 1.87 1.99 0.00 3.15 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 108 P 0.00 4.31 0.00 1.92 2.02 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 109 H 8.02 4.65 0.00 3.19 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.37 3.68 1.93 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 1.39 0.74 0.95 0.00 0.00 111 D 8.22 4.44 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.84 4.04 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 *114 R 8.19 4.19 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.49 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 115 A 7.98 3.95 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 0.00 116 K 7.79 3.86 0.00 1.78 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 117 I 7.75 3.67 1.98 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 1.55 0.73 0.88 0.00 0.00 118 A 8.27 3.93 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 0.00 119 E 8.50 3.80 0.00 2.12 1.96 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 2.30 2.55 0.00 120 D 8.13 4.28 0.00 2.60 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 0.00 121 L 7.66 3.60 0.00 1.59 1.46 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.54 3.25 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.15 1.78 0.00 123 C 7.72 4.69 0.00 3.26 2.83 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 0.00 0.00 0.00 0.00 124 D 9.43 4.54 0.00 2.72 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 0.00 125 I 8.27 3.82 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 1.29 1.17 0.90 0.00 0.00 126 E 8.19 4.38 0.00 2.04 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 2.28 2.41 0.00 127 Q 8.43 4.56 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 128 V 7.46 4.80 2.07 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 0.73 0.00 0.00 0.91 0.00 0.00 129 N 9.22 5.10 0.00 2.84 2.74 0.00 0.00 6.15 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.42 4.95 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.55 4.88 0.00 1.77 1.85 0.00 1.31 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.36 7.81 132 A 8.44 5.21 1.21 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 0.00 133 T 8.91 4.72 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 0.00 134 T 8.31 4.97 4.40 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 0.00 0.00 0.00 1.25 0.00 0.00 135 T 8.31 4.29 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 1.10 0.00 0.00 136 E 8.91 3.81 0.00 2.08 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 2.25 2.24 0.00 137 K 8.66 4.04 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.54 7.81 138 L 7.46 4.50 0.00 1.81 1.53 0.91 0.70 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 0.00 139 G 8.41 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 0.00 0.00 0.00 0.00 140 F 8.42 4.40 0.00 3.35 3.32 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 0.00 141 T 6.38 4.35 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 0.70 0.00 0.00 142 G 7.61 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 0.00 0.00 0.00 143 R 8.06 4.32 0.00 1.86 2.03 0.00 3.36 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 144 Q 7.85 3.77 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 145 E 8.58 4.43 0.00 2.23 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 2.37 2.35 0.00 146 G 6.88 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 0.00 0.00 0.00 147 I 7.45 5.03 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 1.03 0.00 0.00 148 A 9.04 5.19 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 0.00 149 C 8.51 5.11 0.00 2.97 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 0.00 150 E 9.55 5.34 0.00 2.21 1.82 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 2.27 2.35 0.00 151 A 8.80 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.78 5.04 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 0.93 0.00 0.00 0.98 0.00 0.00 153 A 9.19 5.07 1.18 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 0.00 0.00 0.00 154 L 8.66 5.07 0.00 1.78 1.61 0.97 0.67 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 0.00 155 L 9.22 5.21 0.00 1.33 1.42 0.50 0.39 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 0.00 156 I 9.04 5.09 1.95 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 1.17 0.89 1.00 0.00 0.00 157 R 8.83 4.10 0.00 1.74 1.80 0.00 3.29 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 0.00 158 Q 8.80 4.22 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.