NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 K 4.2335 8.3144 120.1335 56.0526 33.9771 174.5555 52 H 4.5897 8.0809 119.5857 52.7866 30.8654 169.2644 53 V 4.4052 8.5570 126.4747 59.3305 35.0258 174.8693 54 E 4.0866 8.5434 122.2267 55.7920 30.2761 175.1566 55 P 4.5717 0.0000 0.0000 61.9325 32.1848 177.6536 56 Q 4.0545 8.5448 117.7484 58.6535 28.7511 176.7657 57 D 4.6925 7.9459 116.6337 52.6627 39.9488 175.5697 58 A 4.5330 7.2703 121.6172 52.6130 18.7576 177.2591 59 I 4.4827 8.0413 119.0992 60.0400 41.1559 173.9339 60 S 4.5559 8.5209 121.8924 57.2034 64.6388 173.1678 61 P 4.1053 0.0000 0.0000 65.9370 31.0177 178.3686 62 D 4.4405 8.1358 117.5511 57.8058 40.8058 179.0670 63 N 4.3277 8.1026 116.3195 56.3199 38.7019 176.5561 64 Y 3.9917 8.1376 120.9881 61.4355 38.7261 178.5526 65 M 4.2922 8.7228 119.5737 58.2040 32.0169 178.5443 66 D 4.3730 8.3529 119.4338 57.7858 40.8217 178.7413 67 M 4.0610 7.7353 117.6938 58.0881 31.9893 178.1522 68 L 4.2323 7.3510 115.9507 54.5314 42.1315 177.0611 69 G 3.7957 7.8355 106.8118 46.4246 0.0000 173.4431 70 L 4.4161 7.4700 120.1322 52.8068 42.8838 177.2079 71 E 4.1120 8.6023 121.2094 55.7588 30.3946 177.4269 72 A 4.1023 8.7760 124.0211 55.5948 18.3680 179.4325 73 R 4.0629 7.9515 110.3721 58.3987 29.8661 176.9150 74 D 4.8542 8.3794 117.8464 53.8716 41.0336 175.9700 75 R 4.7037 7.5485 117.4797 54.3237 32.6671 175.8608 76 T 3.9168 8.3397 118.0323 63.7673 68.9772 173.9273 77 M 4.6815 8.1545 125.6979 54.0903 34.5841 174.5032 78 Y 5.0778 8.6593 119.5990 56.3009 41.4682 174.6188 79 E 5.1596 8.9287 119.9089 54.9990 34.1415 173.6848 80 L 5.0309 8.7694 123.1802 53.7041 43.9573 175.1765 81 V 4.5489 8.7564 127.9029 61.7566 33.1794 174.4200 82 I 5.0734 8.9671 129.5927 60.0848 39.2903 174.3326 83 Y 5.1256 9.0189 124.3280 56.0221 41.3750 174.9107 84 R 3.9811 8.7142 123.7333 55.8774 30.7698 176.5954 85 K 3.7909 8.8086 127.3727 60.0225 31.9393 178.4049 86 N 4.4300 8.2397 115.6928 55.4690 38.9943 175.0851 87 D 4.9648 7.5355 115.9694 51.5655 39.0618 175.6034 88 K 4.3965 7.8126 123.2751 59.0313 33.1696 177.6766 89 D 5.1253 7.9171 117.9258 54.6928 40.8572 177.0168 90 K 4.4820 8.2863 116.9697 54.6264 34.4764 175.2269 91 G 3.8299 8.4521 102.9117 43.2836 0.0000 171.2178 92 P 3.8150 0.0000 0.0000 61.8547 31.6547 176.4803 93 W 4.4779 8.8882 134.6124 60.2604 31.1778 176.1286 94 K 4.4885 7.9669 116.5835 54.8838 36.4475 175.1985 95 R 5.0389 8.1222 120.3487 54.6791 33.5278 174.3267 96 Y 4.6016 8.7715 121.2363 55.8789 40.8274 174.7039 97 D 4.7715 8.8516 124.1075 53.9665 42.1386 175.6155 98 L 4.4804 8.5663 124.8756 54.8328 42.5526 177.1908 99 N 4.6078 9.7380 120.3735 54.8966 39.4021 177.8335 100 G 3.7472 8.2425 105.7859 47.2375 0.0000 173.4234 101 R 4.6726 7.8588 117.5890 54.2134 33.7566 175.4830 102 S 4.7496 8.3562 113.4627 60.2671 64.4792 173.0832 103 C 5.2924 7.4023 118.8425 58.6472 34.6592 172.5617 104 Y 4.8406 8.8990 121.7394 56.2410 41.8340 174.0157 105 L 4.5711 9.1839 127.3110 54.5131 43.7514 175.3338 106 V 4.6676 8.6753 127.0370 61.5517 33.7536 174.7537 107 G 4.8168 8.6237 112.9632 46.0123 0.0000 172.2409 108 R 4.4588 8.6866 121.6685 56.9430 30.4749 176.6028 109 E 4.5062 9.3957 125.6973 55.1999 31.8031 176.3321 110 L 3.8683 8.8397 123.8214 57.5433 42.1548 178.5275 111 G 3.9593 8.0486 105.8765 46.7716 0.0000 173.4381 112 H 4.0248 7.8124 120.4645 59.0887 29.2820 176.4359 *122 T 4.2533 7.6267 110.7310 61.2754 68.8197 173.3279 123 E 4.2460 7.9679 120.4897 56.0463 30.3129 176.2332 124 I 3.7713 8.1923 124.0790 60.8624 38.7211 175.2281 125 V 3.9885 8.2391 127.3707 62.3984 32.1917 175.4622 126 V 4.1888 8.3690 124.5789 63.5883 33.7885 175.5473 127 A 4.4107 7.8163 121.3530 51.3112 19.4666 176.6130 128 D 4.6115 8.9233 122.3343 56.8874 41.8233 176.7766 129 I 3.9726 8.2837 120.9727 59.3192 39.6485 174.9257 130 G 4.4581 8.6493 114.5723 43.7729 0.0000 172.0693 131 I 4.4826 8.5557 125.7271 58.2283 40.0682 174.6450 132 P 4.7030 0.0000 0.0000 60.9169 29.9404 175.1040 133 E 4.5527 7.6021 120.8630 54.7882 31.9246 175.4884 134 E 3.9666 9.0283 127.0560 59.6984 29.6259 178.3320 135 T 4.2068 7.8230 110.5260 62.6385 67.8801 174.3253 136 S 4.6524 7.6855 115.3876 57.9600 64.5297 174.2780 137 S 4.5488 8.6205 118.0431 57.7872 63.8419 175.6604 138 K 4.0932 8.5929 121.3509 59.1581 32.7165 176.0566 139 Q 4.8144 7.7326 118.0659 54.1914 28.9848 174.1953 140 H 4.6000 9.0993 122.3805 57.7389 30.9041 174.0734 141 C 5.2621 7.7929 110.9374 56.7804 33.7077 171.8775 142 V 4.8562 8.6485 119.0374 61.2057 34.6178 174.1377 143 I 4.7208 8.5647 128.3576 60.0449 38.8774 174.3791 144 Q 4.9838 9.1740 128.8112 54.2762 31.8785 173.9362 145 F 5.1200 9.4716 125.7678 56.5254 41.0562 175.2146 146 R 4.7550 9.0697 121.2171 54.5198 34.6948 174.3693 147 N 4.8468 9.1016 122.3631 52.7703 39.0206 174.7173 148 V 3.9699 8.8712 127.0795 61.8928 30.6244 176.1056 149 R 4.0253 9.6593 129.2883 57.1757 27.6641 177.5743 150 G 4.1408 8.8973 104.6155 45.0558 0.0000 173.9184 151 I 4.6929 7.7208 119.1380 57.5059 40.5178 173.8488 152 L 4.3530 8.2294 129.7189 54.9479 42.3865 175.9922 153 K 4.6532 9.1094 124.9544 54.6657 36.8904 174.6551 154 C 4.7005 8.0079 122.2992 57.6244 34.5502 172.1476 155 Y 5.0719 8.5882 122.3381 56.3135 42.1650 174.6000 156 V 4.8865 8.5126 115.1764 60.1182 34.5032 174.6495 157 M 5.0109 8.7446 123.6056 53.5453 35.3510 173.8655 158 D 4.6385 8.6348 126.1592 53.5818 42.6748 176.1422 159 L 4.3635 8.3913 128.5988 55.2860 40.9737 176.8390 160 D 4.3144 7.7602 115.0196 55.4046 38.5783 174.0159 161 S 4.4073 7.7432 112.4498 57.6686 64.6067 175.5098 162 S 4.2375 8.2166 118.1457 61.9449 62.7658 176.0047 163 N 4.4915 8.1340 115.9764 53.5626 39.1118 175.7937 164 G 4.1586 8.2026 103.9133 44.9760 0.0000 171.9893 165 T 4.9911 8.0278 113.4981 61.7964 72.6650 173.1172 166 C 5.2850 9.1787 122.6088 57.8303 31.8746 172.5883 167 L 4.9569 8.6375 124.4850 53.5758 44.0720 176.2252 168 N 4.1921 10.0205 125.8065 54.6563 36.7249 174.7327 169 N 4.3022 8.4472 109.9945 53.6048 36.5244 174.2970 170 V 4.2936 7.4047 118.9718 60.4282 33.4483 174.9680 171 V 4.1389 8.3395 127.8020 63.1693 31.8100 175.2254 172 I 4.3993 8.2537 122.1290 59.1952 38.8894 174.0629 173 P 4.4090 0.0000 0.0000 62.8107 31.9024 176.2437 174 G 3.7125 8.8394 109.2642 45.0086 0.0000 173.7018 175 A 3.9687 8.4383 120.0818 52.3953 16.7223 177.4327 176 R 4.5405 7.1560 116.6671 55.7903 33.4352 174.4194 177 Y 4.6034 8.4495 123.4562 58.0274 38.9126 174.8149 178 I 4.5995 8.9609 125.7918 59.0976 39.7974 174.8455 179 E 3.8875 9.0712 128.7475 56.3042 30.0488 175.8295 180 L 4.6954 8.3169 126.9246 53.2398 43.6468 176.0440 181 R 4.7728 8.9918 121.4999 53.9225 33.1908 174.8008 182 S 4.4877 8.7360 117.7221 60.0530 62.6852 174.3648 183 G 4.0731 9.3686 116.6740 45.1534 0.0000 173.5097 184 D 4.6251 8.3574 120.8945 54.6899 42.1073 175.5977 185 V 4.5917 9.3590 124.6030 61.5131 33.2380 174.3740 186 L 5.2048 9.3427 129.8629 53.8285 43.5029 176.0471 187 T 4.8817 8.7152 112.7549 59.5560 72.5376 173.9359 188 L 4.7015 8.3192 121.8419 54.3129 42.2591 176.3289 189 S 4.9495 7.6355 109.7746 57.6857 65.1516 173.7940 190 E 3.7265 8.3942 126.2755 58.6918 29.5977 177.8387 191 F 4.9316 7.5710 117.6717 55.2445 40.8869 176.0773 192 E 3.9959 9.1182 127.1428 59.1897 29.6234 178.6374 193 E 4.0498 8.2309 115.3619 59.1775 29.6803 177.7535 194 D 4.4921 7.9827 118.1845 56.1077 41.1848 176.0275 195 N 4.9242 7.9391 117.3527 52.5227 39.5484 174.4782 196 D 4.6914 8.9457 121.7936 54.3838 43.2914 175.6890 197 Y 5.1753 8.0432 114.2569 55.9794 42.0638 174.6709 198 E 4.8458 9.4095 121.2037 54.6915 33.2585 174.8990 199 L 4.9013 9.2968 125.5260 53.3621 43.5975 175.1308 200 I 4.9320 8.7912 126.0009 59.0551 40.2553 174.2797 201 F 4.9650 9.2310 132.8663 58.3640 40.6041 173.9180 202 M 4.8277 8.4345 125.1131 53.4114 35.7512 174.2999 203 N 4.5578 8.5614 120.5112 53.5355 39.9550 175.9297 204 V 3.5143 8.7991 116.8082 61.9193 32.4272 173.3684 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 51 K 8.31 4.23 0.00 1.73 1.89 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 52 H 8.08 4.59 0.00 3.16 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.56 4.41 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 0.89 0.00 0.00 54 E 8.54 4.09 0.00 1.97 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 2.66 2.38 0.00 55 P 0.00 4.57 0.00 2.33 1.92 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 56 Q 8.54 4.05 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 57 D 7.95 4.69 0.00 3.08 2.92 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 58 A 7.27 4.53 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 59 I 8.04 4.48 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 1.06 0.00 0.00 60 S 8.52 4.56 0.00 4.06 3.96 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 61 P 0.00 4.11 0.00 2.19 2.09 0.00 3.51 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 62 D 8.14 4.44 0.00 2.77 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 63 N 8.10 4.33 0.00 2.84 2.89 0.00 0.00 6.71 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 64 Y 8.14 3.99 0.00 3.19 3.18 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 65 M 8.72 4.29 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.08 0.00 66 D 8.35 4.37 0.00 2.90 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 67 M 7.74 4.06 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 68 L 7.35 4.23 0.00 1.77 1.67 0.86 0.77 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 69 G 7.84 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 0.00 0.00 0.00 70 L 7.47 4.42 0.00 1.61 1.62 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.60 4.11 0.00 2.14 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 2.39 2.33 0.00 72 A 8.78 4.10 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 73 R 7.95 4.06 0.00 1.92 2.07 0.00 3.01 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 1.59 1.64 0.00 74 D 8.38 4.85 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 75 R 7.55 4.70 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 76 T 8.34 3.92 4.10 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 0.00 0.00 0.60 0.00 0.00 77 M 8.15 4.68 0.00 1.87 1.84 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 2.56 2.42 0.00 78 Y 8.66 5.08 0.00 3.07 3.08 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 79 E 8.93 5.16 0.00 2.21 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 2.14 2.23 0.00 80 L 8.77 5.03 0.00 1.85 1.67 1.06 0.69 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 81 V 8.76 4.55 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 0.70 0.00 0.00 0.95 0.00 0.00 82 I 8.97 5.07 2.25 0.00 0.00 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 1.41 0.72 1.22 0.00 0.00 83 Y 9.02 5.13 0.00 3.00 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 84 R 8.71 3.98 0.00 1.82 1.89 0.00 3.53 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.00 85 K 8.81 3.79 0.00 1.63 1.79 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 86 N 8.24 4.43 0.00 2.59 2.83 0.00 0.00 6.66 8.06 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 87 D 7.54 4.96 0.00 2.75 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 88 K 7.81 4.40 0.00 1.78 1.74 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.69 7.81 89 D 7.92 5.13 0.00 2.66 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 90 K 8.29 4.48 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 91 G 8.45 3.83 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 0.00 0.00 0.00 92 P 0.00 3.81 0.00 1.88 1.59 0.00 3.68 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 1.94 0.00 93 W 8.89 4.48 0.00 3.35 3.50 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 94 K 7.97 4.49 0.00 1.65 1.36 0.00 1.08 0.00 0.00 1.38 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.26 7.81 95 R 8.12 5.04 0.00 1.49 1.71 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 96 Y 8.77 4.60 0.00 2.89 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 97 D 8.85 4.77 0.00 2.71 2.64 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 98 L 8.57 4.48 0.00 1.92 1.92 1.19 0.09 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 99 N 9.74 4.61 0.00 2.90 3.14 0.00 0.00 6.94 7.67 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 0.00 100 G 8.24 3.75 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 0.00 0.00 0.00 101 R 7.86 4.67 0.00 0.92 1.37 0.00 2.94 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 102 S 8.36 4.75 0.00 4.06 4.16 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 0.00 103 C 7.40 5.29 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.90 4.84 0.00 2.98 2.78 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 0.00 105 L 9.18 4.57 0.00 1.75 1.55 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.68 4.67 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 0.85 0.00 0.00 0.88 0.00 0.00 107 G 8.62 4.82 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 0.00 108 R 8.69 4.46 0.00 2.07 1.87 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 109 E 9.40 4.51 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 110 L 8.84 3.87 0.00 1.64 1.74 0.92 1.06 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 0.00 111 G 8.05 3.96 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 0.00 0.00 0.00 112 H 7.81 4.02 0.00 3.18 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 T 7.63 4.25 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 1.21 0.00 0.00 123 E 7.97 4.25 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 124 I 8.19 3.77 1.88 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 1.31 0.76 0.92 0.00 0.00 125 V 8.24 3.99 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 0.90 0.00 0.00 0.95 0.00 0.00 126 V 8.37 4.19 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 0.89 0.00 0.00 0.94 0.00 0.00 127 A 7.82 4.41 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 0.00 128 D 8.92 4.61 0.00 2.83 2.92 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 0.00 129 I 8.28 3.97 1.64 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.46 0.40 0.00 0.00 130 G 8.65 4.46 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 0.00 131 I 8.56 4.48 1.80 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 1.24 0.88 0.74 0.00 0.00 132 P 0.00 4.70 0.00 2.14 2.10 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.01 0.00 133 E 7.60 4.55 0.00 1.99 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 2.29 2.36 0.00 134 E 9.03 3.97 0.00 2.01 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 2.34 2.34 0.00 135 T 7.82 4.21 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 1.28 0.00 0.00 136 S 7.69 4.65 0.00 3.91 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 0.00 137 S 8.62 4.55 0.00 3.92 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 0.00 138 K 8.59 4.09 0.00 1.95 2.08 0.00 1.44 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 139 Q 7.73 4.81 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 140 H 9.10 4.60 0.00 3.39 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.79 5.26 0.00 3.14 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 0.00 142 V 8.65 4.86 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 0.86 0.00 0.00 0.79 0.00 0.00 143 I 8.56 4.72 1.92 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 0.98 0.40 0.71 0.00 0.00 144 Q 9.17 4.98 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 1.89 2.16 0.00 145 F 9.47 5.12 0.00 3.22 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 9.07 4.76 0.00 1.75 1.85 0.00 2.26 0.00 0.00 2.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 147 N 9.10 4.85 0.00 2.91 2.86 0.00 0.00 7.05 8.27 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 0.00 148 V 8.87 3.97 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 0.97 0.00 0.00 1.04 0.00 0.00 149 R 9.66 4.03 0.00 1.98 1.98 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 150 G 8.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 4.69 1.94 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 1.20 1.78 0.97 0.00 0.00 152 L 8.23 4.35 0.00 0.72 1.29 0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.11 4.65 0.00 1.72 1.22 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.33 7.81 154 C 8.01 4.70 0.00 2.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.59 5.07 0.00 2.73 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 0.00 156 V 8.51 4.89 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 0.70 0.00 0.00 0.94 0.00 0.00 157 M 8.74 5.01 0.00 1.84 1.25 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 158 D 8.63 4.64 0.00 2.80 2.46 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 0.00 159 L 8.39 4.36 0.00 1.74 1.61 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 160 D 7.76 4.31 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 0.00 161 S 7.74 4.41 0.00 3.63 3.70 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 0.00 162 S 8.22 4.24 0.00 3.84 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 0.00 163 N 8.13 4.49 0.00 2.82 2.91 0.00 0.00 7.23 7.58 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 0.00 164 G 8.20 4.16 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 0.00 0.00 0.00 165 T 8.03 4.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 166 C 9.18 5.29 0.00 2.78 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 0.00 167 L 8.64 4.96 0.00 1.72 1.49 0.92 0.64 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 0.00 168 N 10.02 4.19 0.00 2.81 2.85 0.00 0.00 7.14 7.92 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 0.00 169 N 8.45 4.30 0.00 2.88 2.95 0.00 0.00 6.91 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 0.00 170 V 7.40 4.29 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 1.02 0.00 0.00 0.92 0.00 0.00 171 V 8.34 4.14 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 0.81 0.00 0.00 0.80 0.00 0.00 172 I 8.25 4.40 1.85 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 1.43 0.70 0.94 0.00 0.00 173 P 0.00 4.41 0.00 2.06 2.07 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 174 G 8.84 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 0.00 175 A 8.44 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 0.00 176 R 7.16 4.54 0.00 1.54 1.68 0.00 3.26 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 177 Y 8.45 4.60 0.00 2.65 2.49 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 0.00 178 I 8.96 4.60 1.90 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 1.14 1.24 0.93 0.00 0.00 179 E 9.07 3.89 0.00 1.94 1.77 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 1.99 1.63 0.00 180 L 8.32 4.70 0.00 0.84 0.81 0.21 0.70 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 0.00 181 R 8.99 4.77 0.00 1.81 1.78 0.00 3.14 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 182 S 8.74 4.49 0.00 3.82 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 0.00 183 G 9.37 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.36 4.63 0.00 2.88 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 0.00 185 V 9.36 4.59 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 0.84 0.00 0.00 1.02 0.00 0.00 186 L 9.34 5.20 0.00 1.74 1.57 0.92 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 187 T 8.72 4.88 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 1.29 0.00 0.00 188 L 8.32 4.70 0.00 1.69 1.53 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.64 4.95 0.00 3.82 3.70 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 0.00 190 E 8.39 3.73 0.00 1.16 1.12 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 2.04 2.20 0.00 191 F 7.57 4.93 0.00 3.20 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 0.00 192 E 9.12 4.00 0.00 2.03 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 2.32 0.00 193 E 8.23 4.05 0.00 2.12 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 2.33 2.37 0.00 194 D 7.98 4.49 0.00 2.98 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 0.00 195 N 7.94 4.92 0.00 2.86 2.76 0.00 0.00 6.85 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 0.00 196 D 8.95 4.69 0.00 2.48 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 0.00 0.00 0.00 197 Y 8.04 5.18 0.00 2.70 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 0.00 198 E 9.41 4.85 0.00 2.01 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 2.24 2.28 0.00 199 L 9.30 4.90 0.00 1.61 1.68 0.92 0.59 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 0.00 200 I 8.79 4.93 1.99 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 1.27 1.77 1.27 0.00 0.00 201 F 9.23 4.96 0.00 3.08 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 0.00 202 M 8.43 4.83 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 203 N 8.56 4.56 0.00 2.47 2.52 0.00 0.00 7.27 7.27 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 0.00 204 V 8.80 3.51 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 0.46 0.00 0.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.