NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 R 4.2533 8.3545 119.0696 55.8880 31.1838 174.6549 17 K 4.2764 8.3091 117.3467 54.0970 32.8681 174.2949 *18 F 4.2637 8.8601 126.4577 57.5400 39.8723 171.1526 *19 H 4.9261 9.7122 124.1079 52.7226 28.5935 171.2705 20 V 4.4708 8.3747 124.8523 59.1790 34.4324 174.9572 21 L 5.1756 8.8698 124.1048 53.5984 45.0229 175.1181 22 V 4.6834 9.0794 128.0067 61.6939 32.8841 174.7331 23 G 4.3538 9.3760 116.5984 44.9323 0.0000 172.4794 24 V 4.7464 8.7891 123.4174 61.1438 34.7827 174.5484 25 T 5.6027 7.5237 116.4200 58.0412 72.4580 174.1146 26 G 3.9371 8.3571 108.7643 46.1741 0.0000 173.6464 27 S 4.5834 7.6820 113.1201 55.5595 64.8995 174.5482 28 V 2.0000 7.8036 125.5061 65.2186 31.6048 177.8300 29 A 3.8815 7.5295 121.5553 55.1099 18.0388 179.1409 30 A 4.2429 8.1566 119.1749 54.5466 18.1094 179.2439 31 L 4.6720 7.6981 122.6084 58.2259 42.5837 179.2474 32 K 4.2965 8.5129 121.3752 56.9520 31.9805 179.7746 33 L 4.0394 8.0890 121.6225 59.0047 41.7669 177.1632 34 P 4.2236 0.0000 0.0000 66.1212 31.3319 178.6674 35 L 3.9544 7.6253 120.6681 59.6712 40.6899 180.6739 36 L 4.1484 8.1059 123.1157 58.7506 41.8275 179.9289 *37 V 3.6837 7.6763 120.9018 66.9843 31.4023 181.0118 *38 S 4.4124 8.1154 120.6476 64.0547 62.0738 178.3136 39 K 4.4534 8.2149 128.4945 58.9567 31.5865 182.5838 40 L 4.5082 8.6181 128.8627 59.1514 41.6884 181.1126 41 L 4.5869 7.8723 121.2484 55.0427 40.9980 181.3035 *45 G 3.9805 8.1135 119.4277 44.3899 0.0000 168.9678 46 L 4.9450 7.4475 116.5220 53.1637 47.3104 177.0672 47 E 4.6396 9.1736 117.3152 55.3033 32.3893 174.9930 48 V 5.5109 8.6950 123.2223 60.5736 35.1313 173.9774 49 A 4.6798 8.3851 121.1600 50.9134 22.4781 175.3303 50 V 4.9201 8.4253 121.1448 61.2108 34.6520 174.6037 51 V 5.5611 9.1345 126.9756 60.6191 33.9442 174.6917 52 T 5.3750 8.7226 117.6747 60.3538 72.1861 173.0303 53 T 4.4749 8.1660 111.6381 60.2615 71.5512 176.0406 54 E 3.9551 8.8345 120.2942 59.6898 29.9832 179.7379 55 R 3.8736 8.2249 117.0680 59.4573 30.7382 178.6191 56 A 4.5475 7.8269 121.1411 55.2009 18.1017 180.1314 57 K 3.1922 7.7707 118.2855 58.3420 31.7555 179.2278 58 H 4.3379 8.3730 117.6000 57.7146 30.2948 175.0936 59 F 4.8766 8.3994 118.0979 58.0582 40.2497 174.0854 60 Y 5.2218 7.1863 117.1285 55.9600 40.9813 173.7490 61 S 4.6921 8.5243 115.3697 55.8971 65.7896 173.3767 62 P 4.4463 0.0000 0.0000 65.9097 31.2776 178.4317 63 Q 3.9775 8.3802 116.4657 60.0603 28.2904 177.9534 64 D 4.5514 8.1310 113.8303 53.8033 39.5215 178.7495 65 I 4.4894 7.6589 120.0313 59.6887 38.7045 175.3256 66 P 4.5941 0.0000 0.0000 61.6997 30.1581 175.6506 67 V 4.4380 7.1089 115.9514 62.3844 35.4541 173.3154 68 T 3.8816 8.3362 118.9495 63.3233 69.2528 173.3833 69 L 4.9572 8.2272 128.7260 53.6015 43.9187 174.7546 70 Y 4.7679 9.1168 125.1028 56.8483 39.8219 175.2003 71 S 4.9745 10.7229 119.2644 56.2914 67.1910 174.5722 72 D 4.4159 9.1647 120.3841 58.2646 40.5459 179.3129 73 A 4.2036 8.2916 120.1645 55.7355 17.9965 179.1661 74 D 4.3995 8.1947 116.8439 57.6265 41.2511 178.2281 75 E 3.9617 8.3888 119.7582 59.2873 29.6796 178.9754 76 W 4.4596 7.9360 118.2863 59.8736 29.0189 178.2855 77 E 4.2288 8.4455 118.0546 58.7644 28.9523 178.1094 78 M 4.5076 7.8378 114.3290 53.9088 31.9971 175.3860 79 W 4.5446 7.8979 133.0978 56.4062 32.5166 175.7353 80 K 4.6181 7.9474 126.5808 54.4722 33.9465 173.1936 81 S 4.1207 6.6774 114.7138 57.1187 66.2199 181.3715 82 R 4.4611 8.7171 121.5034 60.4732 29.3320 180.2448 83 S 4.3753 7.8832 111.7667 61.2916 62.6299 179.6084 84 D 4.4775 7.4185 119.8154 53.4518 41.0185 174.7940 85 P 4.5823 0.0000 0.0000 63.0052 32.1148 176.7001 86 V 4.2654 7.5266 118.4704 61.6415 31.0024 176.4595 87 L 3.5100 7.0775 124.8139 57.2200 43.2658 177.1595 88 H 4.0829 8.0598 115.5205 58.8542 28.5658 177.3505 89 I 3.7721 8.6781 123.0053 64.2195 37.1861 177.7470 90 D 4.4127 7.9638 119.2075 57.7419 40.5000 179.0258 91 L 4.1452 8.6928 121.8357 58.1162 41.3575 180.2106 92 R 4.4710 7.9794 119.8389 60.5208 29.5047 181.7339 93 R 4.5887 7.5102 113.1681 56.7164 30.7542 177.1664 94 W 4.5328 8.0633 127.0122 57.5632 31.9934 175.9118 95 A 4.1163 7.6820 121.3509 51.9593 18.8320 176.5742 96 D 4.6521 9.4773 121.8080 55.4667 42.4099 177.1159 97 L 5.1451 7.9512 121.2845 53.8549 45.7630 176.1087 98 L 5.0013 8.9492 127.5324 53.0485 43.3555 173.1998 99 L 4.6859 8.8599 128.5507 53.3718 43.7604 175.7043 100 V 4.7182 8.4293 126.5073 60.5420 32.0876 171.9463 101 A 4.9813 8.4976 125.1186 49.0611 20.8686 173.8082 102 P 4.7335 0.0000 0.0000 62.2404 34.5871 174.5428 103 L 4.8549 8.0393 122.5623 53.4087 43.7677 176.0277 104 D 4.9582 8.4823 126.5353 52.1582 40.9687 177.2901 105 A 4.0661 8.5067 120.7995 54.8992 18.1473 179.4849 106 N 4.3360 8.1200 115.4401 57.2921 39.3317 177.2815 107 T 3.9181 9.7750 117.4356 66.0609 68.4039 176.5760 108 L 3.8999 7.9709 122.8890 58.1506 42.0557 179.3094 109 G 3.7915 7.6973 103.8506 47.0771 0.0000 176.0377 110 K 3.9796 7.7941 120.9691 59.4256 32.2015 179.5341 111 V 3.5240 8.1301 118.7012 65.9495 31.2364 177.6990 112 A 3.9888 8.2233 120.7121 55.0534 18.2690 178.2882 113 S 4.5577 7.8017 109.3425 57.4955 63.5152 174.9064 114 G 3.9136 7.6880 107.6014 47.0052 0.0000 175.4352 115 I 4.2601 8.2069 117.2723 60.0133 38.3219 175.8253 116 C 5.1069 8.7360 126.7674 54.0887 42.1992 172.5358 117 D 4.8456 8.1159 119.5400 52.3614 40.1176 176.9895 118 N 4.9751 7.6598 116.6099 50.7501 41.0199 174.4649 119 L 3.8562 8.8513 124.1368 59.4251 42.2788 178.4671 120 L 3.9671 8.2551 120.3125 56.5495 41.9555 178.1245 121 T 3.7913 8.6651 111.5601 65.2630 68.5629 175.7137 122 C 4.2879 7.9914 118.6352 59.6556 34.8361 175.4532 123 V 3.7661 7.8957 119.9524 66.3912 31.0360 177.8710 124 M 3.7932 7.8557 117.5591 58.4320 31.7653 178.3972 125 R 4.2073 7.9425 116.0062 57.8900 30.3147 176.3872 126 A 4.6217 7.4896 118.6301 51.7146 19.9960 175.8559 127 W 4.9282 8.2536 126.7895 57.7519 31.3092 174.5544 128 D 4.6476 6.4103 121.2779 52.6175 41.9479 178.3028 129 R 4.2878 8.6317 123.6070 58.6042 29.5919 174.5549 130 S 4.2412 7.8965 109.6314 60.7291 63.2444 174.1230 131 K 4.7466 7.6196 120.0739 53.7294 34.7650 174.1295 132 P 4.8285 0.0000 0.0000 62.4289 33.1152 174.7715 133 L 5.2656 8.6863 123.3195 52.1730 43.7326 173.2316 134 L 5.4712 8.5597 124.3272 52.3559 43.2786 175.5127 135 F 5.1597 8.7749 120.9805 56.1326 42.0127 175.3516 136 C 4.9445 8.7111 117.3781 55.7299 29.8899 170.7619 137 P 4.7810 0.0000 0.0000 62.6150 31.9274 176.7940 138 A 4.7455 8.4326 124.3714 51.4813 20.9822 176.2515 139 M 4.6700 7.6034 126.6032 54.5903 31.1949 178.0578 140 N 5.0747 8.3782 114.0486 51.0522 43.0065 174.4677 141 T 3.8722 8.3583 122.2069 67.6251 68.4796 175.3709 142 A 3.9675 8.8537 121.0225 55.8393 18.2969 178.6936 143 M 4.0425 8.2232 117.8357 58.1031 32.6285 178.6140 144 W 4.3477 9.0679 130.9745 60.6791 30.7121 178.5544 145 E 4.5746 9.3597 114.4827 58.0842 29.0730 177.7678 146 H 5.1159 7.3776 119.2009 54.2926 33.0647 173.5424 147 P 4.1611 0.0000 0.0000 64.0994 30.6789 180.9341 148 I 3.4689 8.2167 126.5540 64.9818 38.7845 177.9593 149 T 3.7398 8.0413 114.3163 66.3685 67.8036 177.2693 150 A 4.0706 8.7653 123.9541 54.8082 18.7878 179.3144 151 Q 3.9322 7.9918 117.0552 58.6459 28.9733 178.3268 152 Q 4.2245 8.4435 120.0873 58.2634 29.5576 177.4656 153 V 3.7051 7.6466 118.3833 66.1470 31.8518 177.3907 154 D 4.6332 8.3419 121.0711 57.8444 40.8659 179.2414 155 Q 4.2399 7.6709 119.8591 60.1727 28.0835 180.7079 156 L 4.4943 8.5435 123.3341 58.3774 41.9262 179.6610 157 K 4.1589 8.6550 124.0483 59.3315 31.3717 182.6750 158 A 4.0983 7.3626 122.0818 55.8829 18.2640 178.8144 *159 F 4.2555 7.6518 110.7402 55.3695 38.2877 179.3754 160 G 4.0138 9.5912 106.3412 47.7009 0.0000 172.7128 161 Y 5.0718 8.0487 121.4290 57.5921 39.1083 176.6139 162 V 3.3036 8.1304 115.0811 62.1074 27.9540 176.8857 163 E 3.1381 7.5534 121.1044 55.2174 30.3586 177.4592 164 I 4.2678 8.0582 115.5916 64.3141 39.2430 173.2442 165 P 4.0423 0.0000 0.0000 62.8072 31.4526 179.7907 *184 V 4.2785 7.0570 124.6336 58.8725 35.3203 181.2674 185 G 3.8155 8.6435 116.7266 49.8850 0.0000 177.1519 186 T 3.7262 8.5106 121.3972 65.8937 69.5392 176.3126 187 I 3.9239 7.9398 124.3171 66.3735 35.7086 180.6740 188 V 3.7383 8.3595 122.3931 67.1966 31.2027 180.4777 189 D 4.6406 8.2436 123.6821 59.3275 39.8182 181.6107 190 K 4.2726 8.1913 127.1629 60.3559 31.7411 180.2776 191 V 4.1633 7.6095 122.4630 63.7353 31.6928 179.5283 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 16 R 8.35 4.25 0.00 1.85 1.82 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 17 K 8.31 4.28 0.00 1.84 1.63 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 1.07 7.81 *18 F 8.86 4.26 0.00 1.97 2.21 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 *19 H 9.71 4.93 0.00 2.54 3.01 0.00 7.15 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 20 V 8.37 4.47 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 0.70 0.00 0.00 1.03 0.00 0.00 21 L 8.87 5.18 0.00 2.13 1.62 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.08 4.68 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 0.94 0.00 0.00 0.95 0.00 0.00 23 G 9.38 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.79 4.75 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 1.08 0.00 0.00 0.86 0.00 0.00 25 T 7.52 5.60 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 1.27 0.00 0.00 26 G 8.36 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 27 S 7.68 4.58 0.00 3.80 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 28 V 7.80 2.00 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 0.85 0.00 0.00 0.79 0.00 0.00 29 A 7.53 3.88 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 30 A 8.16 4.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.70 4.67 0.00 1.98 1.76 1.24 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.51 4.30 0.00 1.75 1.78 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.31 7.81 33 L 8.09 4.04 0.00 1.59 1.81 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.20 2.25 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 35 L 7.63 3.95 0.00 1.68 1.71 0.92 0.27 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 36 L 8.11 4.15 0.00 1.72 1.86 0.91 0.98 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 *37 V 7.68 3.68 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 0.72 0.00 0.00 0.93 0.00 0.00 *38 S 8.12 4.41 0.00 3.71 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 39 K 8.21 4.45 0.00 1.87 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 40 L 8.62 4.51 0.00 1.69 1.67 0.92 0.88 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 41 L 7.87 4.59 0.00 1.73 1.53 0.92 1.12 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 *45 G 8.11 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 46 L 7.45 4.94 0.00 1.47 1.57 0.91 0.98 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 47 E 9.17 4.64 0.00 2.13 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 2.24 2.44 0.00 48 V 8.70 5.51 2.16 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 1.08 0.00 0.00 0.99 0.00 0.00 49 A 8.39 4.68 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 50 V 8.43 4.92 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 0.80 0.00 0.00 0.90 0.00 0.00 51 V 9.13 5.56 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 0.95 0.00 0.00 0.99 0.00 0.00 52 T 8.72 5.37 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 1.48 0.00 0.00 53 T 8.17 4.47 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 1.28 0.00 0.00 54 E 8.83 3.96 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 2.62 2.29 0.00 55 R 8.22 3.87 0.00 1.88 2.06 0.00 3.27 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 56 A 7.83 4.55 1.57 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 57 K 7.77 3.19 0.00 1.89 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 58 H 8.37 4.34 0.00 3.00 2.47 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.40 4.88 0.00 3.34 3.20 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 60 Y 7.19 5.22 0.00 3.09 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 61 S 8.52 4.69 0.00 3.91 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 62 P 0.00 4.45 0.00 2.19 2.18 0.00 3.60 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 2.10 2.09 0.00 63 Q 8.38 3.98 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.20 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 64 D 8.13 4.55 0.00 2.74 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 65 I 7.66 4.49 2.02 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.88 0.00 0.00 66 P 0.00 4.59 0.00 2.18 2.13 0.00 3.74 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 1.99 1.95 0.00 67 V 7.11 4.44 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 0.86 0.00 0.00 0.94 0.00 0.00 68 T 8.34 3.88 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 0.41 0.00 0.00 69 L 8.23 4.96 0.00 1.58 1.49 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.12 4.77 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 10.72 4.97 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 9.16 4.42 0.00 2.78 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 73 A 8.29 4.20 1.40 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 0.00 0.00 0.00 74 D 8.19 4.40 0.00 2.95 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 75 E 8.39 3.96 0.00 1.84 1.38 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 0.00 1.86 2.14 0.00 76 W 7.94 4.46 0.00 3.49 3.31 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 77 E 8.45 4.23 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 78 M 7.84 4.51 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.96 0.00 79 W 7.90 4.54 0.00 3.29 3.21 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 80 K 7.95 4.62 0.00 1.75 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 81 S 6.68 4.12 0.00 3.57 3.67 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 82 R 8.72 4.46 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 83 S 7.88 4.38 0.00 3.62 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 84 D 7.42 4.48 0.00 1.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.58 0.00 2.29 2.08 0.00 3.68 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 2.04 1.97 0.00 86 V 7.53 4.27 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 0.93 0.00 0.00 0.98 0.00 0.00 87 L 7.08 3.51 0.00 1.76 1.44 0.54 1.06 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 88 H 8.06 4.08 0.00 3.24 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.68 3.77 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 0.87 0.00 0.00 90 D 7.96 4.41 0.00 2.83 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 91 L 8.69 4.15 0.00 1.77 1.68 0.56 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.98 4.47 0.00 1.93 1.85 0.00 3.25 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 93 R 7.51 4.59 0.00 1.94 2.02 0.00 3.12 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 94 W 8.06 4.53 0.00 3.30 3.38 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 0.00 0.00 0.00 0.00 95 A 7.68 4.12 1.79 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 0.00 0.00 96 D 9.48 4.65 0.00 2.53 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 97 L 7.95 5.15 0.00 1.77 1.47 1.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.95 5.00 0.00 1.35 1.53 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.86 4.69 0.00 1.76 1.56 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.43 4.72 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 0.87 0.00 0.00 0.78 0.00 0.00 101 A 8.50 4.98 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 0.00 102 P 0.00 4.73 0.00 2.12 2.15 0.00 3.67 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 2.01 1.97 0.00 103 L 8.04 4.85 0.00 1.94 1.68 0.50 1.22 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 0.00 104 D 8.48 4.96 0.00 2.94 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 0.00 105 A 8.51 4.07 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 0.00 106 N 8.12 4.34 0.00 2.86 3.02 0.00 0.00 7.25 7.22 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 0.00 107 T 9.77 3.92 4.20 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 1.16 0.00 0.00 108 L 7.97 3.90 0.00 1.83 1.83 0.76 1.00 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 0.00 109 G 7.70 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 0.00 0.00 0.00 110 K 7.79 3.98 0.00 2.01 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 111 V 8.13 3.52 2.18 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 0.95 0.00 0.00 0.82 0.00 0.00 112 A 8.22 3.99 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 0.00 113 S 7.80 4.56 0.00 3.85 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 0.00 114 G 7.69 3.91 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 0.00 0.00 0.00 115 I 8.21 4.26 1.98 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 1.18 0.92 0.91 0.00 0.00 116 C 8.74 5.11 0.00 3.08 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 0.00 117 D 8.12 4.85 0.00 2.82 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 0.00 118 N 7.66 4.98 0.00 3.24 2.94 0.00 0.00 5.78 6.67 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 0.00 119 L 8.85 3.86 0.00 1.61 1.93 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.26 3.97 0.00 1.79 1.68 0.82 0.72 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 0.00 121 T 8.67 3.79 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 1.24 0.00 0.00 122 C 7.99 4.29 0.00 2.90 3.07 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 0.00 123 V 7.90 3.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 124 M 7.86 3.79 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.32 0.00 125 R 7.94 4.21 0.00 1.83 2.07 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 126 A 7.49 4.62 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 0.00 127 W 8.25 4.93 0.00 3.26 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 0.00 128 D 6.41 4.65 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.63 4.29 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 130 S 7.90 4.24 0.00 3.88 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 0.00 131 K 7.62 4.75 0.00 1.05 1.91 0.00 0.95 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 3.07 2.81 0.00 140 N 8.38 5.07 0.00 2.73 2.68 0.00 0.00 6.90 7.22 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 0.00 141 T 8.36 3.87 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 1.26 0.00 0.00 142 A 8.85 3.97 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 0.00 143 M 8.22 4.04 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 144 W 9.07 4.35 0.00 3.50 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.36 4.57 0.00 2.12 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 2.26 2.18 0.00 146 H 7.38 5.12 0.00 3.10 3.35 0.00 5.73 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 0.00 147 P 0.00 4.16 0.00 2.03 1.73 0.00 2.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 148 I 8.22 3.47 1.86 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 1.30 0.84 0.88 0.00 0.00 149 T 8.04 3.74 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 0.00 150 A 8.77 4.07 1.17 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 0.00 151 Q 7.99 3.93 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 152 Q 8.44 4.22 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 153 V 7.65 3.71 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 1.12 0.00 0.00 0.98 0.00 0.00 154 D 8.34 4.63 0.00 2.89 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 0.00 155 Q 7.67 4.24 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 156 L 8.54 4.49 0.00 2.03 1.87 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.66 4.16 0.00 1.75 1.80 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 158 A 7.36 4.10 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 *159 F 7.65 4.26 0.00 2.34 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 0.00 0.00 0.00 160 G 9.59 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 0.00 0.00 0.00 161 Y 8.05 5.07 0.00 3.47 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 0.00 162 V 8.13 3.30 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 0.71 0.00 0.00 0.93 0.00 0.00 163 E 7.55 3.14 0.00 1.98 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 2.23 1.87 0.00 164 I 8.06 4.27 1.87 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 1.17 0.78 0.85 0.00 0.00 165 P 0.00 4.04 0.00 2.09 1.89 0.00 3.77 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 1.95 1.64 0.00 *184 V 7.06 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 185 G 8.64 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 0.00 186 T 8.51 3.73 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 0.00 187 I 7.94 3.92 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 1.50 1.10 0.91 0.00 0.00 188 V 8.36 3.74 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 0.71 0.00 0.00 0.93 0.00 0.00 189 D 8.24 4.64 0.00 2.76 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 0.00 190 K 8.19 4.27 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 1.37 7.81 191 V 7.61 4.16 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 * Residues marked with a * may have inaccurate shift predictions.