NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.4215 8.1776 115.2810 57.4751 63.3465 174.5331 58 P 4.1406 0.0000 0.0000 64.3455 31.6355 175.5100 59 G 4.1774 8.9142 108.5649 45.3112 0.0000 173.3026 60 I 4.9205 7.3493 121.3129 59.5442 38.9766 174.9619 61 W 5.2051 9.2188 126.0472 54.8663 33.2602 173.9478 62 Q 5.3097 9.3551 124.4004 54.3975 31.0500 173.9877 63 L 5.3859 8.9742 127.8025 53.6349 45.0821 175.0038 64 D 4.7673 9.0464 124.1687 53.4389 46.1646 173.5892 65 C 5.3545 8.4999 116.9904 58.3028 30.9776 173.4883 66 T 4.7193 8.9325 111.7864 60.1892 72.3545 172.0921 67 H 5.3575 8.4687 117.7579 54.1367 32.2446 173.5965 68 L 4.2830 8.9069 122.5536 55.3269 45.2320 174.9879 69 E 3.8780 9.9135 124.6564 57.5075 26.9162 175.4642 70 G 3.9247 8.6201 104.7337 45.4577 0.0000 173.6136 71 K 4.6445 8.0926 118.8428 54.2475 35.5748 174.6129 72 V 4.7464 7.7384 119.9383 61.2741 34.1874 174.1800 73 I 4.8438 8.5703 128.6947 59.4471 39.8565 174.2321 74 L 4.6365 8.7593 130.4872 53.9571 43.6213 175.2899 75 V 4.7037 9.0647 126.3471 61.0582 34.2429 173.7348 76 A 5.5293 9.1969 130.1903 50.3139 21.7868 175.2911 77 V 4.8020 9.1023 121.8733 61.1850 35.0985 174.0115 78 H 3.2756 8.7215 128.5529 55.1904 29.7633 175.5884 79 V 3.4264 7.7343 127.0342 66.1356 31.1243 177.4692 80 A 4.0157 7.6328 121.7496 54.1454 18.4464 177.9725 81 S 4.4064 7.8331 108.5190 57.6760 64.6601 175.4497 82 G 3.8963 8.2624 108.1472 45.1465 0.0000 172.7234 83 Y 4.4644 7.7631 121.7220 57.5310 39.8533 174.5839 84 I 5.1981 8.3758 125.9602 59.5564 40.7354 174.7722 85 E 4.9281 9.3514 123.5114 54.7969 33.0826 174.8678 86 A 5.3730 8.6017 123.4368 50.9840 22.6916 174.9565 87 E 4.8509 9.0162 117.1525 54.7818 34.6313 174.7075 88 V 4.6699 8.4864 122.1425 61.4682 32.5318 174.9732 89 I 4.7224 8.8530 121.8756 58.4340 40.0501 175.1223 90 P 4.4661 0.0000 0.0000 65.4339 31.7487 176.4146 91 A 4.4797 7.3612 118.6971 50.4155 21.7550 175.2791 92 E 4.0848 8.7061 122.4101 56.4212 29.5757 176.6739 93 T 4.8821 8.1074 116.1974 59.0827 73.3800 174.7184 94 G 3.6873 8.6259 108.2521 47.9435 0.0000 176.0699 95 Q 4.0744 8.0554 119.8601 58.9926 28.8257 178.5834 96 E 4.1028 8.2913 119.6063 59.6273 29.5119 179.4984 97 T 3.9379 8.1081 115.6091 66.6398 68.5583 176.5072 98 A 4.0822 8.5012 123.0449 55.3904 18.4374 179.0431 99 Y 4.0760 8.3734 118.1569 60.8436 38.8285 177.9912 100 F 3.8832 8.6236 121.6308 61.1758 39.4348 177.0679 101 L 4.0484 8.2978 118.6933 57.7419 41.4624 179.3003 102 L 3.9360 8.0265 120.2596 57.8753 41.7845 178.9022 103 K 3.5833 7.4221 117.3943 59.4243 32.3153 178.3605 104 L 3.7720 7.7134 120.4097 58.3368 41.6594 178.9871 105 A 4.2510 7.9383 119.0080 54.2736 18.4124 178.9434 106 G 3.7231 7.5378 101.9522 45.8051 0.0000 174.5506 107 R 4.1333 7.5918 118.9833 56.4509 31.6136 176.4512 108 W 5.1035 7.3869 114.7758 53.9628 33.0052 173.8984 109 P 4.4975 0.0000 0.0000 62.2590 29.2696 174.2889 110 V 4.1302 8.1595 127.4715 63.4544 32.2956 175.8446 111 K 4.6564 9.2353 131.4363 56.6137 33.9853 172.9154 112 T 5.8806 7.7885 108.8615 59.0388 72.7310 173.1121 113 V 5.1926 8.3646 121.8482 61.6135 35.0333 173.6399 114 H 5.3788 9.5608 127.0507 55.0050 33.0221 172.3473 115 T 4.9140 7.6433 115.4211 60.9354 70.5364 172.9353 116 D 4.6600 9.2161 123.5957 54.0697 41.2341 177.1364 117 N 4.7354 7.6830 118.7735 50.8951 39.4729 174.5679 118 G 3.5618 8.3535 113.9859 47.9374 0.0000 173.5492 119 S 4.1938 7.9814 113.9727 60.7449 63.0850 175.9858 120 N 4.3414 7.9737 118.1323 55.4472 38.2502 175.6681 121 F 5.2423 8.0397 115.5752 57.5127 39.2628 176.4657 122 T 4.3215 7.6983 112.7900 63.0360 69.5505 176.2061 123 S 4.3552 7.9140 117.9649 58.2269 65.0271 174.7524 124 T 3.8894 8.5798 120.7638 67.4337 68.3091 176.6970 125 T 3.8888 7.9312 116.7304 66.8115 68.5009 176.6804 126 V 3.6706 7.8114 119.8560 65.9220 31.4963 178.0936 127 K 3.9682 8.2722 118.0921 59.5284 31.8221 179.1473 128 A 4.2080 8.5161 121.1361 55.0714 18.3080 179.6006 129 A 4.1218 8.1638 119.2756 55.6136 18.4142 179.6548 130 C 4.1309 8.4123 115.4433 62.5216 28.0183 176.1014 131 W 4.1775 8.7326 130.3658 60.3043 30.1323 177.8053 132 W 2.9443 8.6454 126.9029 60.0201 30.3244 177.1456 133 A 4.1149 8.1435 117.3269 51.8222 18.1144 177.3253 134 G 3.6399 7.3766 105.2895 46.4645 0.0000 173.8494 135 I 4.6008 7.7090 119.4702 59.6177 39.0065 175.5167 136 K 4.7902 8.6043 123.3098 54.4236 36.4531 175.0624 137 Q 4.5124 8.6120 122.9545 55.7006 29.9861 174.7267 138 E 4.2499 8.7564 128.2047 55.6932 30.1097 176.0417 139 F 4.3660 9.2923 125.1292 56.0194 39.2582 175.2790 140 G 4.4752 7.9537 118.8441 45.4752 0.0000 173.3522 *149 G 3.8550 8.1463 114.7594 45.6097 0.0000 175.7902 150 V 3.6491 7.7878 120.7655 66.3241 31.7375 183.8636 151 I 3.9240 7.6733 120.3941 64.0875 36.4985 178.3664 152 E 4.1533 8.2361 121.6180 60.0586 29.0783 179.9198 153 S 3.9952 7.9426 118.6196 62.9424 62.2443 178.1276 154 M 4.1336 7.8526 119.6296 57.5845 31.7780 177.8624 155 N 4.5604 7.9403 117.5135 55.4917 39.0263 177.7236 156 K 4.1598 7.5599 124.4110 58.5088 32.0035 182.7494 157 E 4.1077 7.6640 118.3763 59.5802 29.5592 178.6479 158 L 3.9474 7.6868 120.3675 58.1633 42.1023 179.1074 159 K 4.0680 7.8265 118.6286 59.0780 31.9459 179.2116 160 K 3.9014 8.2740 120.0921 59.7446 32.2800 178.9364 161 I 3.9973 8.0960 121.7129 63.8273 36.8550 178.3537 162 I 3.8026 8.3558 121.2474 64.4379 36.7403 178.5355 163 G 3.6734 8.1421 105.3932 48.1130 0.0000 175.3921 164 Q 4.1824 8.1727 120.4841 57.9428 28.6941 178.2721 165 V 4.3263 7.5779 110.7938 60.8704 31.6590 177.5860 166 R 3.8545 7.8441 123.5494 60.2007 29.9727 178.3796 167 D 4.5914 7.9347 113.4247 54.3751 40.0762 178.5181 168 Q 4.2012 8.2648 118.5538 57.8151 29.4645 175.2672 169 A 4.7861 7.4067 121.3361 51.0186 22.0391 176.7225 170 E 4.0497 8.8675 117.0045 58.9488 30.4330 178.2931 171 H 4.9558 7.6946 116.8262 53.7757 31.6811 175.8646 172 L 3.9842 8.4862 125.7880 58.3494 41.9960 179.5441 173 K 3.9353 8.1266 118.1338 60.3830 32.2315 179.0634 174 T 3.8255 7.9260 116.0297 66.4646 68.4370 176.2715 175 A 3.9693 7.8784 122.1548 55.0205 18.2837 179.8463 176 V 3.5309 8.0965 117.0251 66.4896 31.7059 178.4096 177 Q 4.1270 8.1289 117.2805 58.7686 28.4277 178.4996 178 M 4.0226 8.3724 120.2975 58.2663 31.8884 178.5386 179 A 4.0431 8.2856 121.2149 54.8879 18.4679 179.8747 180 V 3.5522 8.0584 117.0306 66.1833 31.7629 178.0117 181 F 4.1213 8.3751 120.3856 61.4182 39.0854 177.2247 182 I 3.9370 8.3797 119.6681 64.5109 36.7243 177.6019 183 H 4.0937 8.3830 118.3959 59.7380 30.0134 176.8477 184 N 4.4255 8.4232 117.6715 55.3700 38.1632 176.7702 185 K 4.3835 7.5096 117.3662 55.3556 32.9779 176.6522 186 K 3.9788 7.3202 122.5586 56.2760 32.3246 175.8512 187 R 4.5726 8.4894 126.1227 55.8066 30.4666 177.2021 188 K 4.5605 8.5789 123.5284 54.3871 32.2633 175.6536 189 G 3.8434 7.5286 120.0474 44.6026 0.0000 173.9203 *193 G 3.5794 8.5045 110.1657 45.4085 0.0000 171.2895 194 Y 4.4474 7.8613 124.5454 56.6604 39.9146 175.3835 195 S 5.4028 9.3929 118.2813 56.8451 65.7000 175.0973 196 A 4.0811 8.4637 123.7135 55.2926 17.9273 180.1890 197 G 3.7086 8.3822 104.3230 47.9947 0.0000 175.8176 198 E 4.0026 8.4207 121.0191 59.2680 29.3831 179.7439 199 R 3.8214 8.2664 118.3311 59.1487 30.0524 178.9441 200 I 3.3914 7.9640 118.8566 64.0924 37.7922 178.4380 201 V 3.7095 7.5004 113.4445 64.1297 31.2426 178.1283 202 D 4.2231 8.0145 117.9882 57.2980 41.0833 178.1836 203 I 3.6462 7.8382 120.4932 64.6753 37.1687 178.5789 204 I 3.7664 8.0064 120.3997 64.2480 36.8716 178.4450 205 A 4.0174 8.3980 122.0861 55.4186 17.9858 179.8024 206 T 3.7953 8.0334 113.6897 66.8653 68.6042 176.0469 207 D 4.4597 8.0626 118.8287 57.2139 41.2414 178.1392 208 I 3.8626 7.4765 119.6476 64.0600 38.4927 177.9701 209 Q 4.2953 7.7055 120.3967 56.0409 25.2667 177.0107 210 T 3.7430 7.5819 115.4130 61.3146 68.5148 173.6624 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 57 S 8.18 4.42 0.00 3.86 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 58 P 0.00 4.14 0.00 2.35 2.18 0.00 3.80 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 2.01 2.04 0.00 59 G 8.91 4.18 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 0.00 60 I 7.35 4.92 1.80 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 1.41 0.90 0.94 0.00 0.00 61 W 9.22 5.21 0.00 3.33 3.23 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 62 Q 9.36 5.31 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 63 L 8.97 5.39 0.00 1.84 1.73 0.77 1.64 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 64 D 9.05 4.77 0.00 2.55 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 65 C 8.50 5.35 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.93 4.72 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 1.18 0.00 0.00 67 H 8.47 5.36 0.00 2.99 3.22 0.00 5.93 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 68 L 8.91 4.28 0.00 1.70 1.46 0.93 0.96 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 69 E 9.91 3.88 0.00 2.17 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 2.22 2.29 0.00 70 G 8.62 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 71 K 8.09 4.64 0.00 1.90 1.71 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.34 7.81 72 V 7.74 4.75 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 0.74 0.00 0.00 0.97 0.00 0.00 73 I 8.57 4.84 1.83 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 1.11 0.46 0.90 0.00 0.00 74 L 8.76 4.64 0.00 1.52 1.10 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.06 4.70 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 0.96 0.00 0.00 0.91 0.00 0.00 76 A 9.20 5.53 1.72 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 0.00 0.00 77 V 9.10 4.80 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 0.93 0.00 0.00 0.95 0.00 0.00 78 H 8.72 3.28 0.00 1.40 2.53 0.00 5.65 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.73 3.43 1.89 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 0.67 0.00 0.00 0.90 0.00 0.00 80 A 7.63 4.02 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 81 S 7.83 4.41 0.00 4.08 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 82 G 8.26 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 83 Y 7.76 4.46 0.00 2.87 2.50 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 84 I 8.38 5.20 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.97 0.00 0.00 85 E 9.35 4.93 0.00 2.14 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 0.00 2.42 2.60 0.00 86 A 8.60 5.37 1.27 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 87 E 9.02 4.85 0.00 2.11 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 0.00 2.55 2.67 0.00 88 V 8.49 4.67 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 0.83 0.00 0.00 0.95 0.00 0.00 89 I 8.85 4.72 1.91 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 1.38 0.78 0.98 0.00 0.00 90 P 0.00 4.47 0.00 2.20 2.22 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 91 A 7.36 4.48 1.22 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 0.00 0.00 0.00 92 E 8.71 4.08 0.00 1.96 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 2.28 2.28 0.00 93 T 8.11 4.88 4.26 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 1.22 0.00 0.00 94 G 8.63 3.69 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 0.00 0.00 0.00 95 Q 8.06 4.07 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 96 E 8.29 4.10 0.00 2.16 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 0.00 2.36 2.71 0.00 97 T 8.11 3.94 4.50 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 1.42 0.00 0.00 98 A 8.50 4.08 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.37 4.08 0.00 3.13 3.22 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 0.00 100 F 8.62 3.88 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.30 4.05 0.00 1.94 1.71 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.03 3.94 0.00 1.74 1.67 0.91 0.14 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 0.00 103 K 7.42 3.58 0.00 1.41 1.50 0.00 1.51 0.00 0.00 1.27 0.00 0.00 2.52 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.96 0.69 7.81 104 L 7.71 3.77 0.00 1.27 1.55 0.39 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.94 4.25 1.27 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 0.00 106 G 7.54 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 0.00 0.00 0.00 107 R 7.59 4.13 0.00 1.74 1.60 0.00 3.03 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 108 W 7.39 5.10 0.00 3.10 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 0.00 109 P 0.00 4.50 0.00 2.28 2.16 0.00 4.23 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 110 V 8.16 4.13 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 0.78 0.00 0.00 0.63 0.00 0.00 111 K 9.24 4.66 0.00 1.46 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.23 7.81 112 T 7.79 5.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 113 V 8.36 5.19 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 1.35 0.00 0.00 1.01 0.00 0.00 114 H 9.56 5.38 0.00 3.21 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.64 4.91 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 0.65 0.00 0.00 116 D 9.22 4.66 0.00 2.75 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 0.00 117 N 7.68 4.74 0.00 2.60 2.48 0.00 0.00 7.06 8.41 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 0.00 118 G 8.35 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.19 0.00 4.00 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 0.00 120 N 7.97 4.34 0.00 2.25 2.73 0.00 0.00 6.84 7.00 0.00 0.00 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 F 8.04 5.24 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.70 4.32 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 1.26 0.00 0.00 123 S 7.91 4.36 0.00 4.11 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 0.00 124 T 8.58 3.89 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 0.00 125 T 7.93 3.89 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 1.26 0.00 0.00 126 V 7.81 3.67 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 1.14 0.00 0.00 1.09 0.00 0.00 127 K 8.27 3.97 0.00 2.10 1.90 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.61 7.81 128 A 8.52 4.21 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.16 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.41 4.13 0.00 3.01 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 0.00 131 W 8.73 4.18 0.00 3.40 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.65 2.94 0.00 3.36 3.26 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 0.00 133 A 8.14 4.11 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 0.00 134 G 7.38 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 0.00 135 I 7.71 4.60 1.84 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 1.21 0.62 0.88 0.00 0.00 136 K 8.60 4.79 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.55 7.81 137 Q 8.61 4.51 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.95 0.00 0.00 0.00 0.00 0.00 1.54 2.18 0.00 138 E 8.76 4.25 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 2.34 2.36 0.00 139 F 9.29 4.37 0.00 3.23 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 0.00 140 G 7.95 4.48 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 0.00 0.00 0.00 *149 G 8.15 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.79 3.65 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 0.85 0.00 0.00 0.93 0.00 0.00 151 I 7.67 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 1.64 0.93 0.92 0.00 0.00 152 E 8.24 4.15 0.00 2.00 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 2.39 2.36 0.00 153 S 7.94 4.00 0.00 3.69 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 0.00 154 M 7.85 4.13 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 155 N 7.94 4.56 0.00 2.84 2.83 0.00 0.00 6.92 6.99 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 0.00 156 K 7.56 4.16 0.00 1.58 1.81 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.31 7.81 157 E 7.66 4.11 0.00 2.28 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 2.33 2.34 0.00 158 L 7.69 3.95 0.00 1.86 1.76 0.91 0.90 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 0.00 159 K 7.83 4.07 0.00 1.79 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 160 K 8.27 3.90 0.00 1.90 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 8.10 4.00 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.95 0.00 0.00 162 I 8.36 3.80 2.02 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 1.47 1.52 0.92 0.00 0.00 163 G 8.14 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 0.00 0.00 0.00 164 Q 8.17 4.18 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 165 V 7.58 4.33 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 0.79 0.00 0.00 1.03 0.00 0.00 166 R 7.84 3.85 0.00 2.02 1.94 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 167 D 7.93 4.59 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.26 4.20 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 169 A 7.41 4.79 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 0.00 170 E 8.87 4.05 0.00 2.00 1.87 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 2.23 1.90 0.00 171 H 7.69 4.96 0.00 3.17 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.49 3.98 0.00 1.93 1.69 0.93 0.75 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 0.00 173 K 8.13 3.94 0.00 2.04 2.08 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 174 T 7.93 3.83 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 1.21 0.00 0.00 175 A 7.88 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 0.00 176 V 8.10 3.53 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.02 0.00 0.00 177 Q 8.13 4.13 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 178 M 8.37 4.02 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 179 A 8.29 4.04 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 0.00 180 V 8.06 3.55 2.29 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 0.99 0.00 0.00 0.99 0.00 0.00 181 F 8.38 4.12 0.00 3.23 3.23 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 0.00 182 I 8.38 3.94 2.10 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 1.56 0.94 0.98 0.00 0.00 183 H 8.38 4.09 0.00 3.17 3.56 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.42 4.43 0.00 2.77 2.87 0.00 0.00 7.06 7.04 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 0.00 185 K 7.51 4.38 0.00 1.69 1.72 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.08 7.81 186 K 7.32 3.98 0.00 1.91 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 187 R 8.49 4.57 0.00 1.80 2.02 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 188 K 8.58 4.56 0.00 1.81 1.72 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.34 7.81 189 G 7.53 3.84 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 0.00 0.00 0.00 *193 G 8.50 3.58 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 0.00 0.00 0.00 194 Y 7.86 4.45 0.00 3.03 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 0.00 195 S 9.39 5.40 0.00 4.22 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 0.00 196 A 8.46 4.08 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 0.00 0.00 0.00 0.00 0.00 197 G 8.38 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 0.00 198 E 8.42 4.00 0.00 2.38 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 2.39 2.42 0.00 199 R 8.27 3.82 0.00 1.91 1.92 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 200 I 7.96 3.39 1.31 0.00 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.73 0.10 0.00 0.00 201 V 7.50 3.71 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 0.88 0.00 0.00 1.03 0.00 0.00 202 D 8.01 4.22 0.00 2.73 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 0.00 203 I 7.84 3.65 1.96 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 1.47 0.52 0.89 0.00 0.00 204 I 8.01 3.77 2.02 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 1.64 1.23 1.03 0.00 0.00 205 A 8.40 4.02 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 0.00 206 T 8.03 3.80 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 1.19 0.00 0.00 207 D 8.06 4.46 0.00 2.77 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 0.00 208 I 7.48 3.86 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 1.53 0.79 0.90 0.00 0.00 209 Q 7.71 4.30 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.01 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 210 T 7.58 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 * Residues marked with a * may have inaccurate shift predictions.