NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.4897 8.1933 116.7954 58.6934 64.9157 175.9768 25 E 3.8388 8.0240 119.4634 58.1161 29.1580 177.5357 26 K 4.0511 8.1237 119.5936 59.1783 32.9318 178.0503 27 E 3.9922 8.0130 119.0985 59.0804 29.4501 178.3099 28 Q 4.0360 8.5241 120.2660 58.7921 28.9848 177.6452 29 Q 4.0197 7.5647 120.7729 58.8204 29.0722 177.8640 30 E 3.9971 8.1519 119.7676 59.0920 29.5698 178.8830 31 A 4.0320 8.0443 120.9195 55.2844 18.4650 179.5621 32 I 3.8339 7.6520 117.0835 63.9864 38.1700 177.9863 33 E 3.9783 8.0300 119.5171 59.6512 29.3815 178.7516 34 H 4.2483 8.3634 118.2380 59.3560 29.8414 177.2919 35 I 3.6955 8.3122 122.0704 64.4577 36.9226 177.8576 36 D 4.3172 8.1654 118.8284 57.4023 41.1027 178.2133 37 E 4.0478 8.0821 118.8235 59.1220 29.4640 179.4303 38 V 3.6081 7.8008 118.3089 65.9944 31.6038 177.8565 39 Q 3.9923 8.3275 119.5207 59.2534 28.8393 177.8959 40 N 4.3453 8.1719 117.5119 56.4226 38.5652 177.2269 41 E 3.9411 8.0879 119.2810 59.3773 29.5847 179.1286 42 I 3.6761 8.0683 120.2787 64.7793 37.1710 178.0155 43 D 4.4047 8.4664 119.6966 57.6524 40.6021 179.2845 44 R 3.9335 8.0181 118.4081 59.1910 30.0424 179.1714 45 L 4.0286 8.0229 118.9258 57.6275 41.6991 179.1520 46 N 4.3559 8.6397 116.9488 56.2956 38.5008 177.2519 47 E 3.9543 8.3921 120.0032 59.5982 29.6332 179.4004 48 Q 4.0000 8.3030 117.8751 58.8712 28.7836 178.8504 49 A 3.9959 8.0702 121.6009 55.3848 18.4960 179.6416 50 S 4.1106 7.9616 113.4989 62.0053 62.9353 177.0308 51 E 4.0071 8.2654 120.9742 59.5770 29.1999 179.3467 52 E 4.0759 8.3633 118.5792 59.1937 29.4909 179.5554 53 I 3.7498 7.9573 120.1235 64.2293 37.1389 178.0779 54 L 4.0089 7.9969 121.1935 58.2619 41.9195 179.2075 55 K 4.2785 8.1890 119.6699 58.7771 31.8976 179.5549 56 V 3.7444 7.6471 118.3095 66.1437 31.5366 177.9987 57 E 4.1152 8.3751 118.3458 59.4509 29.3509 179.3390 58 Q 4.0477 8.5356 118.5134 58.8514 28.7363 178.4207 59 K 3.8570 8.1403 120.4892 60.2238 32.2900 178.4097 60 Y 4.0530 8.3337 116.3713 60.4941 37.5269 177.8635 61 N 4.5263 8.2165 117.9135 56.6064 39.2321 176.7375 62 K 4.2065 7.9564 119.9323 59.5578 31.9601 179.4153 63 L 4.0666 7.5648 117.7866 57.8182 41.8292 179.4872 64 R 4.3271 8.2084 117.2159 58.6052 30.0360 178.8864 65 Q 4.2900 7.9986 118.7318 58.7824 28.8004 177.1463 66 P 4.1885 0.0000 0.0000 65.2881 31.1499 178.7120 67 F 4.1997 7.6830 116.3822 60.3005 38.9067 177.5915 68 F 4.3149 8.1076 117.5055 60.5164 38.7936 177.4169 69 Q 4.0304 8.3448 119.1308 59.2189 29.0499 178.2012 70 K 4.0283 8.0735 120.5516 59.6113 32.0832 178.6092 71 R 3.8124 8.3690 119.1564 59.3608 29.9921 178.2678 72 S 4.1874 8.3616 115.3950 62.1649 62.7192 176.8334 73 E 3.9749 7.7815 118.6867 59.3308 29.4400 179.3034 74 L 4.0689 7.7427 118.5648 57.7768 41.6887 179.3481 75 I 3.1011 7.7510 119.7208 64.1234 36.7115 178.0527 76 A 3.9654 7.6574 120.5640 54.6048 18.1649 178.7349 77 K 4.5373 7.6467 114.4765 55.5156 32.5778 176.4715 78 I 4.3035 7.4749 122.1179 58.6484 37.7671 173.3603 79 P 4.4355 0.0000 0.0000 63.5182 32.0117 176.3210 80 N 4.3570 9.0221 117.1666 54.6443 36.3028 176.3501 81 F 3.8342 7.9375 121.2350 61.3198 39.3243 177.0495 82 W 3.9375 8.1178 117.9707 59.1159 28.9989 178.6207 83 V 3.6791 7.8143 117.8667 66.4716 31.0643 178.0436 84 T 3.8300 7.8007 115.2590 66.9192 68.0599 176.6597 85 T 3.7830 7.3938 116.3554 66.6999 68.6778 176.3840 86 F 4.7985 8.1857 119.5071 60.7679 38.7806 177.8599 87 V 3.7555 8.0914 118.3362 65.2416 31.3308 176.8555 88 N 4.8208 8.0513 113.1313 52.5035 38.8775 173.9919 89 H 4.5385 7.6502 122.4164 53.6811 31.0724 173.5218 90 P 4.2685 0.0000 0.0000 65.8015 30.9169 178.7045 91 Q 4.0645 7.9920 115.4722 58.8816 29.1802 178.1696 92 V 3.5244 7.6615 118.7613 65.9085 31.1360 177.8515 93 S 4.0990 8.2459 114.7774 61.7537 62.5299 176.5594 94 A 4.0763 7.4543 120.3417 54.5121 18.0921 178.5587 95 L 4.6961 7.6053 115.2429 53.7936 42.2494 176.4945 96 L 4.5589 7.6939 120.0434 52.4996 42.5273 177.0937 97 G 3.9848 8.3497 111.2884 43.6486 0.0000 172.3140 98 E 4.0204 8.5901 118.6469 59.7446 29.4921 179.6554 99 E 4.2294 8.1769 117.9784 59.2456 29.5777 178.8063 100 D 4.7515 8.2893 118.7226 57.7999 40.7732 178.5464 101 E 4.0806 8.2388 118.0855 59.1212 29.9036 178.4088 102 E 4.1948 8.3060 118.3581 59.3390 29.5016 178.8688 103 A 4.1520 8.3531 121.2814 55.6032 18.4289 179.1686 104 M 4.4582 8.4927 115.7694 58.3780 32.0808 177.6419 105 H 4.3910 8.3347 115.1157 58.2093 29.1648 175.9070 106 Y 4.7925 8.4362 117.9956 56.7375 37.9257 174.6873 107 L 3.9960 7.6676 123.4453 55.6135 42.1533 176.1825 108 T 4.5648 8.7525 123.9789 64.6904 70.4454 175.4030 109 R 4.5419 7.4039 117.4252 55.4491 33.4178 173.2987 110 V 4.5570 7.7975 125.6112 60.8729 33.9462 174.2068 111 E 4.2665 8.8251 126.7682 54.2613 32.8778 174.8349 112 V 4.2022 5.4919 123.0933 61.0684 33.4583 174.7515 113 T 4.5048 8.4662 124.0757 61.7552 71.6731 172.9268 114 E 4.4971 8.7266 126.1686 54.9605 30.9583 176.7546 115 F 4.7176 8.2428 122.3857 57.7322 39.7106 176.4742 116 E 4.0927 9.0423 123.0533 59.4197 29.3641 178.0337 117 D 4.5704 8.1329 115.4835 53.3990 40.6943 176.6236 118 I 3.8663 8.2279 125.8457 61.8644 36.2789 175.5382 119 K 3.9739 8.1213 118.6879 59.5726 32.3592 177.6732 120 S 4.3641 8.3130 114.7818 61.2327 63.7600 172.5696 121 G 4.1181 7.3158 105.3750 44.5796 0.0000 171.5737 122 Y 4.1402 7.5017 118.1126 55.9372 41.9622 173.7964 123 R 4.9372 8.8541 119.8551 54.5070 34.0601 173.7720 124 I 4.6988 8.8913 125.9575 59.6161 40.1751 174.0206 125 D 5.2779 8.9225 127.4989 52.5651 43.3664 175.4768 126 F 5.2105 9.4145 122.1850 56.0850 41.8296 173.8663 127 Y 5.0840 9.4657 123.0163 56.9822 39.5192 174.8750 128 F 5.5114 9.4130 122.8641 55.7305 41.9812 175.1585 129 D 4.8685 9.4277 123.6525 53.5356 41.9371 176.1374 130 E 3.9537 8.7603 119.5812 57.1874 29.8459 176.6050 131 N 4.0488 7.7651 118.8370 50.4380 39.9404 172.7469 132 P 4.1466 0.0000 0.0000 64.3891 32.1842 177.0942 133 Y 4.4682 7.3940 117.5688 59.8869 38.4246 175.1220 134 F 5.2855 7.6535 111.7321 54.8286 41.1175 174.1652 135 E 4.0521 8.8853 122.6580 58.7481 29.6829 177.4724 136 N 4.4109 8.2033 115.8005 53.7204 39.2447 174.8674 137 K 4.3867 8.9022 122.4878 58.7816 33.5153 177.1559 138 V 4.8108 7.6962 118.1619 60.9018 34.3199 174.6625 139 L 4.6681 9.2299 128.1164 53.3006 43.6831 175.4821 140 S 5.4288 9.4159 120.7400 56.5122 66.3416 173.1117 141 K 4.3589 9.2239 125.4768 54.4697 34.7779 174.3471 142 E 4.8209 8.9230 127.3745 54.5276 32.3544 174.9136 143 F 5.0268 9.0177 122.3486 55.8895 41.9642 173.8910 144 H 5.4883 9.5320 123.6292 55.0110 31.1877 175.1766 145 M 4.6425 8.7642 122.8074 52.9255 31.8082 172.2063 *152 S 4.0639 8.0018 117.6419 57.6793 63.8381 172.6872 153 S 4.6337 8.2974 121.4345 57.0592 64.5420 172.6807 154 K 4.5067 8.2940 127.0421 54.9703 34.0010 176.1186 155 S 4.9053 8.0965 118.5998 56.5427 67.1261 173.9333 156 T 4.0071 8.6182 119.1042 63.5401 68.9623 174.1571 157 E 3.9662 8.5873 126.8856 55.7188 30.0985 176.0968 158 I 3.6026 7.9792 127.8511 60.9137 37.6817 176.9660 159 K 4.3177 8.7720 128.2744 54.2439 30.3982 175.9181 160 W 4.8124 7.9291 121.5269 57.2600 30.3571 176.3217 161 K 4.4326 9.4792 123.2982 55.2826 33.8249 176.0578 162 S 3.9670 8.5857 117.7402 59.5650 62.1617 174.7766 163 G 3.8839 8.7181 115.0526 46.8562 0.0000 173.4402 164 K 4.2465 7.7522 117.8642 55.4483 33.5540 175.5027 165 D 3.3700 7.6924 118.1553 54.0094 41.6512 176.6105 166 M 4.4008 5.8600 134.1980 54.7175 31.5011 177.5040 *189 F 4.8821 8.9303 129.3531 59.3263 40.6194 176.5865 190 F 4.0845 7.7973 116.8507 59.8083 38.3396 177.6839 191 T 4.1040 8.0501 109.8510 64.6899 68.6731 176.1102 192 W 4.2802 8.3401 129.8779 60.0272 30.4152 177.2096 193 F 2.9794 7.5084 119.1728 61.2680 38.9260 176.2909 194 T 3.6805 7.3028 112.9878 66.1330 68.4506 175.1590 *200 G 3.6938 7.8496 108.6385 45.2522 0.0000 172.5617 201 A 4.4109 8.6002 128.1652 54.2404 19.0687 178.2594 202 D 4.6475 8.1320 115.1193 54.8119 39.8801 178.5179 203 E 3.9098 8.1540 120.5869 59.5855 29.5896 178.6641 204 L 3.8196 7.9783 120.0213 57.7180 42.0157 178.7826 205 G 3.7707 8.0154 104.4798 48.1637 0.0000 175.5317 206 E 3.8239 8.4457 121.7652 58.6537 29.3553 179.4482 207 V 3.5433 7.8710 118.4596 66.1077 31.5649 178.1777 208 I 3.7864 7.8455 119.4018 64.2580 36.7866 178.2654 209 K 3.7562 7.9340 119.0226 59.5567 32.0679 177.7684 210 D 4.6649 8.2399 117.1952 56.1995 41.4800 178.1865 211 D 4.7017 8.2079 118.7169 57.0005 41.1172 178.6516 212 I 4.3392 7.6988 119.3437 64.0698 37.3654 177.9488 213 W 4.7256 8.6991 128.7480 60.2293 30.6445 175.3966 214 P 4.5443 0.0000 0.0000 65.4183 30.6593 176.4526 215 N 4.9873 7.9307 116.3160 50.7761 39.9400 172.4920 216 P 4.6551 0.0000 0.0000 65.0415 31.9474 178.3541 217 L 4.1280 8.0683 118.6362 57.7592 41.2488 178.7368 218 Q 3.8085 7.5135 117.9393 58.7567 29.1144 177.4221 219 Y 4.3989 7.5438 116.3281 59.6846 38.7623 176.7278 220 Y 3.8343 7.5766 119.7209 60.7189 38.6393 177.4636 221 L 4.0857 7.7846 115.6669 55.3248 42.0051 177.4091 222 V 4.1592 7.1629 117.7166 59.4270 31.9163 173.3994 223 P 4.5381 0.0000 0.0000 62.7562 31.1440 176.3928 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 24 S 8.19 4.49 0.00 3.90 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 25 E 8.02 3.84 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 26 K 8.12 4.05 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 27 E 8.01 3.99 0.00 2.08 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 2.38 2.37 0.00 28 Q 8.52 4.04 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 29 Q 7.56 4.02 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 30 E 8.15 4.00 0.00 2.23 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 2.33 2.32 0.00 31 A 8.04 4.03 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 32 I 7.65 3.83 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 1.53 1.21 1.00 0.00 0.00 33 E 8.03 3.98 0.00 2.17 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 2.34 2.53 0.00 34 H 8.36 4.25 0.00 3.35 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.31 3.70 2.03 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 1.39 0.52 0.91 0.00 0.00 36 D 8.17 4.32 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.08 4.05 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 38 V 7.80 3.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 39 Q 8.33 3.99 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 40 N 8.17 4.35 0.00 2.98 2.87 0.00 0.00 7.02 7.39 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 41 E 8.09 3.94 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 42 I 8.07 3.68 2.02 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 1.53 0.72 0.92 0.00 0.00 43 D 8.47 4.40 0.00 2.82 2.73 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 0.00 44 R 8.02 3.93 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 45 L 8.02 4.03 0.00 1.88 1.71 0.93 0.73 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 46 N 8.64 4.36 0.00 2.85 2.87 0.00 0.00 7.01 7.53 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 47 E 8.39 3.95 0.00 2.17 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 0.00 2.34 2.47 0.00 48 Q 8.30 4.00 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 49 A 8.07 4.00 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 50 S 7.96 4.11 0.00 4.15 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 51 E 8.27 4.01 0.00 2.18 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 0.00 2.35 2.52 0.00 52 E 8.36 4.08 0.00 2.04 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 2.35 2.36 0.00 53 I 7.96 3.75 1.96 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 1.43 1.01 0.93 0.00 0.00 54 L 8.00 4.01 0.00 1.92 1.91 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.19 4.28 0.00 1.98 1.88 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.48 7.81 56 V 7.65 3.74 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.08 0.00 0.00 57 E 8.38 4.12 0.00 2.28 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 2.38 2.41 0.00 58 Q 8.54 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 59 K 8.14 3.86 0.00 1.83 2.10 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.52 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.65 1.23 7.81 60 Y 8.33 4.05 0.00 3.26 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 61 N 8.22 4.53 0.00 2.93 3.15 0.00 0.00 7.21 5.97 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 62 K 7.96 4.21 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.68 7.81 63 L 7.56 4.07 0.00 1.64 1.83 0.41 1.38 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 64 R 8.21 4.33 0.00 2.26 2.14 0.00 3.29 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 65 Q 8.00 4.29 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 66 P 0.00 4.19 0.00 1.41 1.81 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 67 F 7.68 4.20 0.00 2.97 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 68 F 8.11 4.31 0.00 3.32 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 69 Q 8.34 4.03 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 70 K 8.07 4.03 0.00 1.87 1.94 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 71 R 8.37 3.81 0.00 1.96 2.05 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 72 S 8.36 4.19 0.00 4.15 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.78 3.97 0.00 2.08 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 2.33 2.35 0.00 74 L 7.74 4.07 0.00 1.73 1.57 0.86 0.62 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 75 I 7.75 3.10 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.18 0.46 0.00 0.00 76 A 7.66 3.97 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 77 K 7.65 4.54 0.00 1.79 1.82 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.67 7.81 78 I 7.47 4.30 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.87 0.00 0.00 79 P 0.00 4.44 0.00 2.08 2.01 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 80 N 9.02 4.36 0.00 2.98 2.92 0.00 0.00 6.70 8.13 0.00 0.00 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 F 7.94 3.83 0.00 2.95 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 82 W 8.12 3.94 0.00 3.44 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.81 3.68 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 0.97 0.00 0.00 1.01 0.00 0.00 84 T 7.80 3.83 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 0.89 0.00 0.00 85 T 7.39 3.78 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 1.21 0.00 0.00 86 F 8.19 4.80 0.00 3.27 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 87 V 8.09 3.76 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 1.07 0.00 0.00 1.02 0.00 0.00 88 N 8.05 4.82 0.00 2.89 3.05 0.00 0.00 6.87 7.44 0.00 0.00 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 H 7.65 4.54 0.00 3.06 3.15 0.00 5.60 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 90 P 0.00 4.27 0.00 2.18 2.09 0.00 3.30 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 91 Q 7.99 4.06 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 92 V 7.66 3.52 2.14 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 0.47 0.00 0.00 0.60 0.00 0.00 93 S 8.25 4.10 0.00 3.99 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 94 A 7.45 4.08 1.39 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 0.00 0.00 0.00 95 L 7.61 4.70 0.00 1.78 1.71 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.69 4.56 0.00 1.72 1.63 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.35 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 98 E 8.59 4.02 0.00 2.11 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 2.43 2.50 0.00 99 E 8.18 4.23 0.00 2.04 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 2.63 2.45 0.00 100 D 8.29 4.75 0.00 3.14 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 0.00 101 E 8.24 4.08 0.00 2.18 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 0.00 2.42 2.41 0.00 102 E 8.31 4.19 0.00 2.29 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 0.00 2.39 2.36 0.00 103 A 8.35 4.15 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 0.00 104 M 8.49 4.46 0.00 2.36 2.36 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 2.76 0.00 105 H 8.33 4.39 0.00 3.37 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.44 4.79 0.00 3.53 3.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 115 F 8.24 4.72 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.04 4.09 0.00 2.02 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 2.41 2.38 0.00 117 D 8.13 4.57 0.00 2.84 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 0.00 118 I 8.23 3.87 1.93 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 1.40 1.23 0.99 0.00 0.00 119 K 8.12 3.97 0.00 1.77 1.92 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.52 7.81 120 S 8.31 4.36 0.00 4.46 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.32 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 0.00 0.00 0.00 122 Y 7.50 4.14 0.00 2.93 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 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7.77 4.05 0.00 1.44 1.62 0.00 0.00 6.19 7.75 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 0.00 132 P 0.00 4.15 0.00 1.66 1.91 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.67 0.00 133 Y 7.39 4.47 0.00 2.82 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 0.00 134 F 7.65 5.29 0.00 2.76 2.31 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 0.00 135 E 8.89 4.05 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 136 N 8.20 4.41 0.00 2.63 2.69 0.00 0.00 6.94 7.61 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 0.00 137 K 8.90 4.39 0.00 1.74 1.97 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.44 7.81 138 V 7.70 4.81 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 0.42 0.00 0.00 0.57 0.00 0.00 139 L 9.23 4.67 0.00 1.73 0.93 -0.39 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.29 4.51 0.00 1.69 1.55 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.34 7.81 155 S 8.10 4.91 0.00 3.48 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 0.00 156 T 8.62 4.01 4.31 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 1.10 0.00 0.00 157 E 8.59 3.97 0.00 1.85 1.80 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 2.25 2.33 0.00 158 I 7.98 3.60 1.03 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.17 -1.09 0.00 0.00 159 K 8.77 4.32 0.00 1.61 1.72 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.32 7.81 160 W 7.93 4.81 0.00 3.17 3.11 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 0.00 161 K 9.48 4.43 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.41 7.81 162 S 8.59 3.97 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 0.00 163 G 8.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 7.75 4.25 0.00 2.11 2.07 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.73 7.81 165 D 7.69 3.37 0.00 2.19 2.26 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 0.00 166 M 5.86 4.40 0.00 1.99 1.06 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 *189 F 8.93 4.88 0.00 3.11 3.15 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 0.00 190 F 7.80 4.08 0.00 3.41 3.34 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 0.00 191 T 8.05 4.10 4.31 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 1.27 0.00 0.00 192 W 8.34 4.28 0.00 3.18 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.51 2.98 0.00 2.72 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 0.00 194 T 7.30 3.68 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 1.19 0.00 0.00 *200 G 7.85 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 0.00 201 A 8.60 4.41 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 0.00 202 D 8.13 4.65 0.00 2.84 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 0.00 203 E 8.15 3.91 0.00 2.02 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 0.00 2.45 2.49 0.00 204 L 7.98 3.82 0.00 1.29 0.86 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 205 G 8.02 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.45 3.82 0.00 1.91 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 2.50 2.42 0.00 207 V 7.87 3.54 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 0.89 0.00 0.00 1.00 0.00 0.00 208 I 7.85 3.79 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 1.47 0.39 1.01 0.00 0.00 209 K 7.93 3.76 0.00 1.37 1.53 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.16 1.10 7.81 210 D 8.24 4.66 0.00 2.78 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 0.00 211 D 8.21 4.70 0.00 2.93 2.93 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 0.00 212 I 7.70 4.34 2.23 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 1.42 0.00 0.00 213 W 8.70 4.73 0.00 3.39 3.43 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 0.00 214 P 0.00 4.54 0.00 2.16 2.21 0.00 3.97 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 215 N 7.93 4.99 0.00 2.69 2.64 0.00 0.00 6.90 7.59 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 0.00 216 P 0.00 4.66 0.00 2.19 2.49 0.00 3.76 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 217 L 8.07 4.13 0.00 1.91 1.79 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 7.51 3.81 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 219 Y 7.54 4.40 0.00 3.28 3.10 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 0.00 220 Y 7.58 3.83 0.00 2.15 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 0.00 221 L 7.78 4.09 0.00 1.76 1.65 0.95 0.78 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 0.00 222 V 7.16 4.16 2.13 0.00 0.00 0.00 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 0.87 0.00 0.00 223 P 0.00 4.54 0.00 2.03 1.94 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.