NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4093 8.1733 120.1235 56.5987 34.5446 177.8159 3 D 4.2340 8.0962 118.5771 56.3034 40.7072 177.0019 4 K 3.9270 8.8013 120.9632 59.5487 32.6559 178.4418 5 I 3.7206 7.7397 119.5385 64.5567 37.1475 178.4070 6 I 3.6958 7.9635 120.6303 64.2038 36.7954 177.8755 7 D 4.3114 8.3595 119.1945 57.6551 41.0695 178.2766 8 N 4.2648 8.2675 116.5990 56.1158 38.4970 177.3654 9 A 3.6569 8.2639 122.6308 54.8887 18.3408 179.7710 10 I 3.7333 7.8010 118.5048 64.7146 37.2087 178.7153 11 T 3.7075 7.4507 116.6288 66.5563 68.2538 176.7017 12 L 3.8561 7.6555 120.6661 57.9468 41.6825 179.7375 13 F 4.5820 8.5259 118.2091 60.5313 38.5861 177.9498 14 S 4.2271 8.1792 113.5153 61.2809 62.9051 176.0132 15 E 4.1179 7.9086 120.8105 58.0058 29.3022 178.0948 16 K 4.4415 8.6606 116.7568 54.5633 33.1441 177.4109 17 G 3.9410 7.9342 105.1865 45.0673 0.0000 174.1387 18 Y 3.7606 8.3012 118.8265 60.7387 38.8163 178.1443 19 D 4.1100 8.0662 117.9041 56.9687 41.0776 177.9106 20 G 3.7378 7.3825 105.6873 46.4583 0.0000 173.4243 21 T 4.5356 7.3448 117.5735 62.1584 70.2197 174.7126 22 T 4.5767 8.2202 115.8868 59.6253 72.7353 175.6277 23 L 3.9282 8.1935 121.1796 57.9237 41.5540 179.4553 24 D 4.4330 7.9126 119.7771 56.8418 40.7956 178.3280 25 D 4.2773 8.0472 119.2888 57.3869 40.6617 178.9976 26 I 3.5457 7.6956 120.3656 64.3537 36.6821 178.6942 27 S 4.0653 8.3873 115.5259 61.4702 62.9242 176.6282 28 K 4.0354 8.3001 122.5344 59.0803 31.5322 179.4261 29 S 4.2071 7.9342 113.7069 60.4812 62.8115 175.4707 30 V 4.1867 6.9270 112.7948 60.3312 32.1023 175.1423 31 N 4.1986 7.8913 115.5129 54.4713 35.9243 173.2712 32 I 4.7655 7.6356 109.1752 58.6413 41.5615 175.3123 33 K 4.2657 8.2940 119.6739 55.7092 32.9524 178.2922 34 K 3.8167 8.8546 122.7000 59.7236 32.5165 178.8282 35 A 4.3521 8.2105 120.0230 55.4979 18.1513 179.4904 36 S 4.2010 8.1600 113.1862 61.1433 62.8675 176.6106 37 L 4.1907 8.0226 122.0640 57.5190 39.8436 178.1246 38 Y 5.2362 7.7097 116.7034 58.9682 37.6643 177.0261 39 Y 4.3449 7.7654 118.0924 60.3367 37.9877 176.1104 40 H 4.6722 7.5631 112.2639 55.5137 31.5129 173.1934 41 Y 5.1476 7.8499 115.4121 56.4143 41.6940 175.6041 42 D 4.7975 9.2731 121.7033 56.1222 41.7555 176.6187 43 N 4.5557 7.6385 115.1961 51.0529 40.5542 174.9830 44 K 4.0105 8.3535 120.5356 59.7204 32.0724 177.8831 45 E 4.1125 8.4554 119.1523 59.4800 29.4526 178.3488 46 E 4.0144 8.9088 119.4830 59.2052 29.6886 178.8121 47 I 3.3176 7.5953 119.8353 64.2738 37.0300 177.8072 48 Y 3.8600 8.4802 120.6641 60.4646 38.5924 177.6950 49 R 3.7054 8.2277 119.9093 59.6077 30.1583 178.6638 50 K 4.1980 8.2955 118.2379 59.4719 31.8854 179.5916 51 S 4.1380 8.0848 115.6574 61.5771 62.7142 176.9043 52 V 3.4414 7.7223 121.2673 65.9532 31.2346 177.9573 53 E 4.0698 8.3496 118.4567 59.3104 29.1945 178.8127 54 N 4.4061 8.4319 117.2036 56.7826 39.0771 176.3248 55 C 4.3243 8.4457 120.3485 62.8583 31.7192 175.6388 56 F 4.5199 8.5283 119.3130 60.7927 38.4761 177.4390 57 N 4.5303 8.6627 116.2140 56.4172 38.2500 176.7212 58 Y 3.8748 8.3923 121.2935 60.8169 38.5516 178.3963 59 F 4.0993 8.0539 117.3199 60.4363 39.0839 177.5995 60 I 4.1027 8.0017 118.7446 64.4843 37.0374 177.7616 61 D 4.5740 8.3241 118.9672 56.8532 42.3830 178.0148 62 F 3.8990 7.9666 122.2113 58.4399 35.1485 175.6092 *65 R 4.2041 7.4856 115.4748 55.4601 32.1770 176.3701 66 N 4.6988 7.4314 115.3251 51.3101 38.7453 173.9850 *71 Y 4.1929 7.8860 122.8913 57.2552 39.8996 176.4631 72 S 4.5588 8.0202 114.4647 57.8478 65.6749 173.9232 73 I 3.8378 8.1977 122.5321 64.7376 36.7850 178.2613 74 D 4.3949 8.1819 118.4195 57.0489 40.9560 178.2295 75 G 3.7914 8.2974 106.6081 47.6235 0.0000 175.4590 76 L 3.2283 7.9331 122.3569 57.9945 42.0264 178.5907 77 Y 3.9407 8.1045 116.2939 61.2251 37.6717 178.7848 78 Q 4.1245 8.5287 119.0958 58.8674 28.8504 178.5244 79 F 4.1347 8.6141 121.9110 61.4830 39.4700 177.2245 80 L 4.3093 8.4384 118.5925 57.7000 41.3443 179.1654 81 F 4.0437 8.8038 120.9067 61.4941 39.3850 177.4507 82 K 4.3024 8.6744 118.1709 59.2546 31.5771 179.2719 83 F 3.8871 8.4486 121.0899 61.2849 39.1763 177.3124 84 I 2.5816 7.5816 117.9064 64.1405 36.9108 178.1457 85 F 3.9615 8.1545 117.3505 59.1546 38.9245 176.2568 86 D 4.8671 8.2057 116.2539 54.1228 42.3558 176.9804 87 V 3.1811 6.8764 119.8269 62.1411 32.1161 174.9848 88 D 4.4159 9.0934 127.7500 53.8148 41.4216 176.2954 89 E 3.8673 9.0361 127.5419 59.5646 29.4477 178.9771 90 R 3.8782 8.4620 116.2255 59.5017 29.2567 178.5463 91 Y 3.9944 7.7416 117.2365 60.7055 37.7831 178.0932 92 I 3.9968 7.8068 120.4450 64.3076 37.1303 178.2294 93 K 3.9466 8.2234 120.5309 59.3737 31.8183 178.5922 94 L 4.0127 7.9552 119.7068 58.2664 42.2801 177.9899 95 Y 4.0439 8.4148 119.5307 60.8451 38.6036 178.3611 96 V 3.8315 8.0653 117.5489 65.5032 31.9196 177.0057 97 Q 4.3434 7.7783 116.2243 56.2550 28.5368 177.5125 98 L 4.1401 7.6401 121.2116 57.2334 41.7527 178.3273 99 S 4.3663 8.0175 111.6713 59.4607 63.3734 174.5943 100 S 4.6272 7.8131 115.6241 57.9321 62.9999 174.2023 101 A 4.1015 7.7684 122.9657 51.2609 19.3202 176.3620 102 P 4.1244 0.0000 0.0000 62.8587 32.0343 177.6567 103 E 4.0630 8.8094 121.5790 59.3906 29.2801 179.0771 104 A 4.0914 7.9345 119.3694 54.2536 18.6754 178.2819 105 L 4.3711 7.7021 116.1170 54.7101 41.9345 177.9781 106 N 4.2452 7.9779 118.8294 56.6976 38.5511 177.2372 107 S 3.9364 7.9088 114.6998 61.2675 63.2151 175.8285 108 E 3.8854 8.0203 122.4790 59.0372 29.4114 178.7500 109 I 3.6426 8.0377 120.2011 64.0607 37.1673 178.0330 110 K 3.7723 8.0428 120.6247 60.1698 31.9389 178.4349 111 H 4.5313 7.9499 117.4703 58.6931 28.5059 177.6240 112 H 3.7852 7.9953 118.0453 58.4454 28.2912 177.8000 113 L 4.1532 7.9992 121.1627 58.0049 41.2299 179.5286 114 Q 4.0151 8.1537 117.8696 59.1592 28.6055 178.9380 115 E 4.0083 8.3238 119.5469 59.4739 29.4028 179.5284 116 I 3.9266 8.1639 120.0848 64.3705 37.1794 178.2684 117 N 4.4135 8.3281 117.5268 56.6026 38.2977 177.6144 118 T 3.9091 8.0356 117.1522 66.8608 68.5440 176.8741 119 T 3.9340 8.1961 117.7024 66.7092 68.4595 176.7295 120 L 4.1202 8.2664 121.0019 57.9936 41.7863 178.9801 121 H 4.0331 8.3970 118.1327 59.6230 29.6310 177.1502 122 D 4.4526 8.2458 119.2838 56.9159 40.9476 178.2562 123 E 4.1180 8.3845 120.0584 59.3891 29.8747 178.8490 124 L 4.2687 8.1938 119.0589 57.5680 41.5433 179.1723 125 I 4.0552 7.7612 117.9872 63.4150 37.6623 177.7203 126 K 3.8308 7.7362 118.1849 58.7517 31.7650 177.1477 127 Y 4.5914 7.9530 115.3619 58.6505 38.3899 175.1450 128 Y 3.4233 7.9685 122.8221 57.0859 39.4606 174.5116 129 D 4.2337 7.1339 125.6419 51.5873 43.1234 173.8420 130 P 4.0833 0.0000 0.0000 64.9148 31.4956 177.5427 131 T 4.0320 8.0159 108.8489 63.3998 69.2906 174.9349 132 H 4.7586 7.7979 118.2694 55.6982 31.0585 173.6684 133 I 4.7762 7.3512 119.7662 59.3174 38.4918 175.8223 134 A 4.1996 9.1800 128.9750 54.6605 18.6420 178.2277 135 L 4.2003 7.7689 114.8219 54.4328 42.4550 177.0031 136 D 4.6838 8.3037 121.3725 52.5835 41.6891 177.3184 137 K 2.4880 7.8832 119.8848 59.2220 31.9806 178.4362 138 E 3.8621 7.8657 118.1061 59.6431 29.2988 178.9857 139 D 4.2607 8.4759 117.9090 56.9847 40.8598 178.3501 140 F 4.0865 7.9708 120.5099 61.3702 39.7508 176.7607 141 I 3.4509 7.8557 118.2075 63.7490 37.4725 178.1643 142 N 4.4329 7.6365 113.7526 53.8791 38.6183 176.0032 *144 I 3.7571 7.7449 123.4191 61.3427 39.1994 179.0256 145 L 4.3554 7.4847 120.1336 54.6665 40.8351 179.2773 *147 F 5.3636 8.2417 119.0927 57.9496 41.3100 177.7467 148 L 4.1236 8.1012 119.9954 57.9756 41.2091 179.4642 149 E 4.2446 8.4857 118.6018 59.6880 29.2876 179.5343 150 T 3.9534 8.1518 115.5191 66.4023 68.6277 176.3200 151 W 3.9795 8.4832 130.3204 60.4864 30.5511 177.5443 152 Y 3.7926 8.2455 116.4502 60.8450 37.3979 178.5145 153 F 4.0647 8.1038 121.4975 61.4944 39.6035 177.4879 154 R 4.0553 8.3669 117.8755 59.0746 29.7892 178.9380 155 A 3.1072 7.1120 121.0936 54.6921 18.0339 179.8257 156 S 4.1175 7.3017 114.1801 61.1103 63.0156 176.8314 157 F 3.8628 8.0607 120.9836 60.0037 38.6297 177.6767 158 S 4.1655 8.4872 113.3533 61.3631 61.9416 176.0663 159 Q 3.8179 7.6625 121.2212 58.9349 28.8789 177.8871 160 K 3.6531 7.2376 119.4341 58.8879 32.1781 178.0381 161 F 4.8830 8.3817 116.5287 56.0980 39.8361 176.7354 162 G 3.9142 8.1029 106.1430 46.3551 0.0000 173.8088 163 I 3.9369 7.2720 118.6750 60.4726 37.2911 176.8733 164 I 3.8394 8.6918 126.8960 64.1659 37.9180 177.5269 165 E 4.0470 8.3203 118.4716 59.1745 29.3349 177.2327 166 D 4.8527 8.3725 116.7565 54.1837 41.3405 177.4225 167 S 4.4909 8.0486 116.0332 57.7805 64.9397 175.0145 168 K 3.2226 8.6791 122.9350 59.8910 31.6610 179.0567 169 N 4.4243 7.8466 116.3683 56.4763 39.0001 176.7309 170 R 3.8757 7.9296 119.8879 59.3691 30.2101 178.2850 171 F 4.2670 8.4814 120.6028 61.2415 39.3550 176.7987 172 K 3.4688 8.1247 119.4603 59.6627 31.8811 178.4415 173 D 4.1937 8.1433 119.0825 57.2558 40.6804 178.8176 174 Q 3.9022 7.9392 118.7060 58.7426 28.6234 178.8275 175 V 2.7655 7.4574 119.6094 65.9550 31.3942 177.6418 176 Y 4.0910 8.0855 116.8187 61.1302 37.6447 178.6774 177 S 4.0889 8.1147 114.0492 61.3858 62.5583 176.2686 178 L 3.7089 7.7667 121.6791 57.6093 41.0955 179.4115 179 L 3.7543 7.6885 118.3260 57.7711 41.6014 179.0047 180 N 4.5477 8.3037 116.5602 56.3166 38.2288 177.6017 181 V 3.6399 7.1442 118.4174 65.9605 31.9564 177.7793 182 F 4.7223 7.8190 116.6323 58.4829 38.8978 174.9461 183 L 5.0227 7.1340 118.9407 53.4321 42.8795 176.8214 184 K 4.2149 9.1622 121.5074 56.7020 32.0739 176.6712 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 2 K 8.17 4.41 0.00 1.83 2.02 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.18 7.81 3 D 8.10 4.23 0.00 2.79 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 4 K 8.80 3.93 0.00 1.80 1.81 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 5 I 7.74 3.72 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 0.94 0.00 0.00 6 I 7.96 3.70 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.26 0.95 0.00 0.00 7 D 8.36 4.31 0.00 2.90 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 8 N 8.27 4.26 0.00 2.85 2.75 0.00 0.00 6.96 6.75 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 9 A 8.26 3.66 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 10 I 7.80 3.73 1.84 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 1.46 0.66 0.34 0.00 0.00 11 T 7.45 3.71 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 1.11 0.00 0.00 12 L 7.66 3.86 0.00 1.41 1.43 0.71 0.93 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 13 F 8.53 4.58 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.18 4.23 0.00 4.02 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 15 E 7.91 4.12 0.00 1.92 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 2.24 2.46 0.00 16 K 8.66 4.44 0.00 1.72 1.77 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.44 7.81 17 G 7.93 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 18 Y 8.30 3.76 0.00 2.21 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.07 4.11 0.00 2.68 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 20 G 7.38 3.74 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 0.00 0.00 0.00 21 T 7.34 4.54 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 0.75 0.00 0.00 22 T 8.22 4.58 4.19 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 1.15 0.00 0.00 23 L 8.19 3.93 0.00 1.70 1.70 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.91 4.43 0.00 2.65 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 25 D 8.05 4.28 0.00 2.72 2.59 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 26 I 7.70 3.55 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.80 0.00 0.00 27 S 8.39 4.07 0.00 4.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.30 4.04 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 29 S 7.93 4.21 0.00 4.08 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 30 V 6.93 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 0.71 0.00 0.00 1.00 0.00 0.00 31 N 7.89 4.20 0.00 2.91 2.89 0.00 0.00 6.64 6.83 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 32 I 7.64 4.77 1.94 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 1.44 0.69 1.00 0.00 0.00 33 K 8.29 4.27 0.00 1.86 1.79 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.40 7.81 34 K 8.85 3.82 0.00 1.93 1.86 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.66 1.48 7.81 35 A 8.21 4.35 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 36 S 8.16 4.20 0.00 4.19 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 0.00 37 L 8.02 4.19 0.00 1.35 1.60 0.79 0.68 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 38 Y 7.71 5.24 0.00 3.17 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 39 Y 7.77 4.34 0.00 2.89 2.59 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 40 H 7.56 4.67 0.00 2.36 2.46 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.85 5.15 0.00 2.98 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 42 D 9.27 4.80 0.00 2.79 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 43 N 7.64 4.56 0.00 3.05 3.05 0.00 0.00 5.92 6.49 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 44 K 8.35 4.01 0.00 1.88 1.94 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.73 1.63 7.81 45 E 8.46 4.11 0.00 2.27 2.24 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 2.41 2.48 0.00 46 E 8.91 4.01 0.00 2.19 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 0.00 2.48 2.47 0.00 47 I 7.60 3.32 2.13 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 87 V 6.88 3.18 1.64 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 0.48 0.00 0.00 -0.75 0.00 0.00 88 D 9.09 4.42 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.04 3.87 0.00 2.04 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 2.27 2.33 0.00 90 R 8.46 3.88 0.00 1.80 2.00 0.00 2.53 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.01 0.00 91 Y 7.74 3.99 0.00 2.77 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 92 I 7.81 4.00 1.92 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 0.96 0.67 0.80 0.00 0.00 93 K 8.22 3.95 0.00 1.87 1.91 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.58 7.81 94 L 7.96 4.01 0.00 1.78 1.91 1.07 0.86 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 95 Y 8.41 4.04 0.00 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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 0.00 129 D 7.13 4.23 0.00 2.51 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 0.00 0.00 0.00 0.00 130 P 0.00 4.08 0.00 2.20 2.27 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 131 T 8.02 4.03 4.09 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 0.00 0.00 1.11 0.00 0.00 132 H 7.80 4.76 0.00 3.15 3.29 0.00 5.78 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 0.00 133 I 7.35 4.78 1.51 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.38 1.17 0.00 0.00 134 A 9.18 4.20 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 0.00 135 L 7.77 4.20 0.00 1.72 1.58 0.09 0.90 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 0.00 136 D 8.30 4.68 0.00 2.87 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 0.00 137 K 7.88 2.49 0.00 1.03 1.50 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.10 7.81 138 E 7.87 3.86 0.00 2.06 1.91 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 2.31 2.28 0.00 139 D 8.48 4.26 0.00 2.60 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 0.00 140 F 7.97 4.09 0.00 3.03 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 0.00 141 I 7.86 3.45 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.91 0.00 0.00 142 N 7.64 4.43 0.00 2.75 2.72 0.00 0.00 7.05 6.97 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 *144 I 7.74 3.76 1.53 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.41 0.78 0.00 0.00 145 L 7.48 4.36 0.00 1.76 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *147 F 8.24 5.36 0.00 3.35 3.09 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 0.00 0.00 0.00 148 L 8.10 4.12 0.00 1.89 1.54 0.85 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.49 4.24 0.00 2.10 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 0.00 2.32 2.61 0.00 150 T 8.15 3.95 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 151 W 8.48 3.98 0.00 3.57 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 0.00 152 Y 8.25 3.79 0.00 3.26 3.01 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 0.00 153 F 8.10 4.06 0.00 3.16 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 0.00 154 R 8.37 4.06 0.00 1.50 1.86 0.00 2.82 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 155 A 7.11 3.11 0.09 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 0.00 0.00 0.00 0.00 0.00 156 S 7.30 4.12 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.06 3.86 0.00 2.94 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 0.00 158 S 8.49 4.17 0.00 3.93 3.95 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 0.00 159 Q 7.66 3.82 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 160 K 7.24 3.65 0.00 1.14 0.89 0.00 1.23 0.00 0.00 1.25 0.00 0.00 2.77 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.21 7.81 161 F 8.38 4.88 0.00 3.26 3.03 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 0.00 162 G 8.10 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 0.00 163 I 7.27 3.94 2.18 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 1.25 0.65 1.05 0.00 0.00 164 I 8.69 3.84 1.91 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 1.45 1.27 0.95 0.00 0.00 165 E 8.32 4.05 0.00 2.04 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 2.45 0.00 166 D 8.37 4.85 0.00 2.82 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 0.00 167 S 8.05 4.49 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.68 3.22 0.00 1.20 0.74 0.00 1.36 0.00 0.00 0.96 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.16 1.52 7.81 169 N 7.85 4.42 0.00 2.93 2.85 0.00 0.00 6.74 7.65 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 0.00 170 R 7.93 3.88 0.00 2.06 2.01 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 171 F 8.48 4.27 0.00 3.30 2.97 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 0.00 172 K 8.12 3.47 0.00 1.81 1.93 0.00 0.94 0.00 0.00 0.90 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.68 1.48 7.81 173 D 8.14 4.19 0.00 2.82 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 0.00 174 Q 7.94 3.90 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 175 V 7.46 2.77 1.58 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 0.33 0.00 0.00 -0.55 0.00 0.00 176 Y 8.09 4.09 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.11 4.09 0.00 3.97 3.95 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 0.00 178 L 7.77 3.71 0.00 1.74 1.45 1.08 0.64 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 0.00 179 L 7.69 3.75 0.00 1.35 1.39 -0.04 1.17 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 0.00 180 N 8.30 4.55 0.00 2.92 2.88 0.00 0.00 6.62 7.23 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 0.00 181 V 7.14 3.64 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 0.96 0.00 0.00 0.95 0.00 0.00 182 F 7.82 4.72 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.13 5.02 0.00 1.80 1.65 1.06 1.41 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 0.00 184 K 9.16 4.21 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.