NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7244 8.2133 109.7355 45.3897 0.0000 172.9113 *23 N 4.6117 8.1404 116.5772 52.4791 39.7574 174.2640 24 I 3.8238 8.1666 119.5753 61.8481 37.5309 175.7026 25 E 4.5729 8.3963 123.5029 55.9099 32.8901 176.2309 26 S 3.8997 8.6398 116.9917 58.2186 60.3773 173.3464 27 I 3.6430 7.3780 120.3531 63.7682 37.9386 176.2469 28 E 4.4879 8.1873 119.5300 58.9090 28.8789 178.4942 29 N 4.4543 8.3244 116.0617 54.8941 38.6398 176.0191 30 L 4.5634 7.8671 119.4050 54.5252 42.2956 176.5953 31 Q 4.5179 8.0207 118.1597 55.3626 29.7971 176.7634 32 G 3.9606 8.0533 105.5292 44.7491 0.0000 173.3067 33 I 3.8144 8.0633 120.8098 60.8267 37.8388 175.4349 34 R 3.7080 8.6565 125.0663 57.8944 30.2343 175.9959 35 A 3.8826 8.7368 126.8076 52.8003 16.3372 175.9277 36 L 4.3739 7.3905 121.3227 56.8988 43.0335 176.4269 37 Q 4.4351 9.4004 127.6438 54.6329 32.3843 173.4119 38 Q 4.4443 8.9047 128.6252 56.5138 29.2707 175.6148 39 Q 4.5214 8.9571 123.9933 56.4224 31.1259 175.0280 40 A 4.5129 7.4412 118.5290 50.6355 21.8674 175.0217 41 P 4.3209 0.0000 0.0000 65.2691 31.5014 177.9237 42 Q 5.0169 8.0710 114.2403 54.3366 29.4492 173.9494 43 L 5.1493 8.1038 120.9390 53.5528 45.1597 175.1414 44 L 5.2316 9.2640 126.9973 53.0443 44.6835 175.7164 45 S 5.8553 8.8948 116.3096 56.1558 66.5087 172.9211 46 S 5.0761 7.6693 114.4940 58.6477 66.1048 174.3775 47 G 4.0906 8.3828 107.8450 45.6840 0.0000 172.6305 48 L 4.2854 7.9934 124.9124 54.0509 42.2197 176.7664 49 P 4.3070 0.0000 0.0000 62.0893 31.8319 176.3737 50 N 4.7653 8.5941 120.4699 51.5595 39.1596 174.8697 51 E 4.2779 8.8854 118.1715 59.6389 29.9557 178.4984 52 Q 4.0226 8.2344 118.7491 59.4372 28.9376 178.1812 53 Q 4.0247 8.4863 118.7395 58.4548 28.6132 178.5977 54 F 4.2767 7.8665 118.9397 60.5016 38.8994 177.7525 55 S 4.1859 8.1437 114.4319 61.6007 62.7269 176.4803 56 L 4.0212 7.7969 121.1822 57.6839 41.3245 179.5281 57 L 3.9803 8.2774 119.2648 57.7193 41.6483 179.3057 58 K 4.0629 8.0759 119.4407 59.9786 31.8953 178.8147 59 Q 4.0764 8.0625 116.4034 58.4016 28.6793 177.6745 60 A 4.3587 7.7256 119.6314 52.2374 18.8845 177.9051 61 G 3.9898 7.8902 105.7499 44.7613 0.0000 174.3947 62 V 3.7575 7.6406 120.3561 63.0901 31.9346 175.2301 63 D 4.8191 8.9728 127.0884 55.2891 42.5260 177.2543 64 V 4.6538 7.6339 117.3525 61.0010 35.3650 174.2000 65 V 4.8604 9.2594 127.8157 61.3173 33.9579 174.0627 66 I 4.8043 9.1887 129.5740 59.7410 39.4147 174.1044 67 N 4.8457 9.0578 127.5489 51.7374 40.5790 174.6850 68 L 5.4041 8.2415 130.2135 52.0659 40.2184 173.9337 *70 P 4.6666 0.0000 0.0000 62.0241 33.0282 177.9953 71 D 4.4645 9.4624 122.7711 57.2343 40.8516 178.1914 72 S 4.3453 8.0773 112.0122 59.9214 63.7656 174.8415 73 S 4.3083 8.0643 119.0271 58.1855 63.0671 175.5542 74 K 4.0309 8.5740 122.8507 59.7824 32.4445 177.6741 75 D 4.4651 7.9351 116.9430 54.9382 41.3566 176.5637 76 A 4.1485 7.4773 122.6802 52.0097 18.9378 177.2337 77 H 4.4473 8.4430 118.1447 55.1246 29.4878 174.3565 78 P 4.3934 0.0000 0.0000 65.6888 31.6014 176.9887 79 D 4.6112 7.4517 116.6752 51.7105 42.0685 174.5359 80 E 3.7634 8.2464 124.2756 58.4888 29.9626 177.8303 81 G 2.4795 7.1987 105.2954 47.1384 0.0000 175.3330 82 K 3.8591 7.7548 123.1853 58.5808 32.2173 178.8267 83 L 3.7877 7.2321 119.2159 57.6715 41.2510 179.8065 84 V 3.2095 7.0575 117.2982 66.0623 31.8524 177.9296 85 T 3.9994 7.9855 110.0003 64.9226 68.4397 176.5719 86 Q 4.0733 8.2671 120.1491 58.2359 28.7761 177.7714 87 A 4.3208 7.4727 118.9154 51.8885 19.9219 177.0103 88 G 3.5983 7.8132 105.0602 45.6640 0.0000 173.5007 *90 D 4.5343 7.4613 117.1137 54.2503 43.3099 175.7003 91 Y 5.3059 8.6407 122.3523 55.8501 41.4493 174.7524 92 V 4.2372 8.4805 126.0502 61.0695 34.8764 173.2089 93 Y 4.8918 8.4907 128.7583 56.1315 40.6441 175.2491 94 I 4.3819 8.4519 128.5256 58.3409 38.6489 171.1710 95 P 4.5762 0.0000 0.0000 62.2940 32.1486 176.0067 96 V 4.2965 8.4463 125.8974 60.7872 33.1657 174.7429 97 D 4.6019 8.7012 128.1160 53.4180 41.5451 176.4491 98 W 4.6288 9.1693 135.0000 60.5288 30.8708 176.3002 99 Q 4.3650 8.4398 114.6810 56.0467 28.8698 176.0872 100 N 4.8208 7.7400 115.1540 52.1437 40.5017 172.2465 101 P 4.3188 0.0000 0.0000 62.3738 32.7732 176.8050 102 K 4.5372 8.5283 119.0300 53.8156 35.6534 177.5388 103 V 3.4581 8.4450 121.7133 66.3295 31.2489 178.3221 104 E 3.9019 8.0837 116.4754 59.2212 29.3272 178.8570 105 D 4.3821 7.9628 120.2682 57.3225 40.8469 178.7698 106 V 2.8648 7.4281 118.2187 65.7382 31.4116 177.7351 107 E 3.7109 8.2021 118.3841 59.1920 29.1827 179.2051 108 A 4.0119 8.1490 120.9088 54.9926 18.2166 179.4167 109 F 4.3159 8.2163 118.1777 61.6601 39.6226 177.0072 110 F 4.4326 8.3160 116.1468 60.5677 39.1098 177.1547 111 A 4.2287 8.5398 120.5145 54.9572 17.6826 180.5522 112 A 4.2515 8.0478 117.6240 52.7760 18.1944 179.0839 *114 D 4.2330 8.1087 122.3854 56.0079 42.7901 176.9443 115 Q 4.2440 7.7314 115.3270 57.2749 29.2462 175.6471 116 H 4.9579 7.5613 116.0331 54.9240 29.9784 173.6589 117 K 4.1252 8.2101 118.2686 57.8306 32.4059 177.9336 118 G 3.9201 8.7745 109.7827 45.8250 0.0000 173.4482 119 K 4.5465 7.6042 118.3990 54.6465 34.1654 175.6051 120 D 4.9022 8.9991 121.7595 54.0086 42.1457 175.7373 121 V 4.8036 8.9165 123.6199 60.9127 35.0571 173.6501 122 L 5.3263 8.9239 129.7867 53.3335 44.4033 175.0184 123 V 5.1307 8.8145 126.5216 60.3285 33.7490 174.5465 124 H 5.9816 9.4738 119.5790 53.1672 32.3752 171.6319 125 C 4.5914 8.3968 116.6929 58.0548 33.1214 175.0840 126 L 4.2446 8.8316 115.6344 56.3691 42.9096 177.9897 127 A 4.4471 7.2128 116.6641 51.2664 20.0896 174.8446 128 N 4.1764 8.2554 113.6147 56.3387 37.1901 176.1166 129 Y 3.4675 7.4339 114.1207 60.0216 37.8794 177.3327 130 R 3.8107 7.7626 117.8523 59.4531 30.2753 179.0078 131 A 3.8626 7.8481 120.0227 55.0899 18.4901 179.6296 132 S 4.2238 8.0479 112.4962 61.5607 63.0391 176.6010 133 A 4.1763 8.5329 124.4467 55.0973 18.2126 179.6454 134 F 4.2059 9.0225 116.4024 60.6452 38.8561 177.7249 135 A 4.3959 8.7237 120.9137 55.4019 18.1444 178.8000 136 Y 4.1295 8.4285 118.0205 61.2146 38.8157 178.6475 137 L 3.8963 8.3453 119.6857 57.7151 41.6897 178.9240 138 Y 3.5557 8.6348 119.6514 60.8580 38.7867 178.2851 139 Q 3.6008 8.3245 119.0156 58.3979 28.7201 178.4940 140 L 3.5907 7.5936 121.6306 57.9952 41.8980 178.9433 141 K 2.7104 7.2316 118.0745 59.0649 32.0331 178.0048 142 Q 3.8739 7.2074 115.4832 55.8202 28.6305 176.7046 143 G 3.7391 7.4359 108.1420 46.3439 0.0000 174.5496 144 Q 4.0257 7.9764 117.0465 55.2061 29.5641 175.2863 145 N 4.1131 8.0179 116.1071 53.6292 37.1599 172.0480 146 P 4.3586 0.0000 0.0000 63.0048 32.6627 176.4656 147 N 4.6068 8.4835 118.6179 52.7763 40.6479 175.0441 *149 A 4.2557 8.3725 120.4769 52.4046 20.3969 178.3151 150 Q 4.1563 8.5589 113.5405 59.6195 28.8368 179.4263 151 T 4.1854 8.2364 110.6941 64.6518 68.0703 175.4006 *153 T 4.4511 8.0092 120.6505 63.2814 70.2726 174.5946 154 P 4.1297 0.0000 0.0000 64.6733 31.5192 177.2979 155 W 4.2212 8.4158 117.4313 57.3899 30.6905 178.1577 156 N 4.3748 7.4469 114.5401 53.8224 38.9712 174.6729 157 D 5.0516 8.9003 112.8820 53.2501 39.7234 177.2254 158 E 4.3902 8.8913 121.1353 58.6112 29.5614 177.9661 159 L 4.4112 8.4780 120.8916 58.5693 41.8670 178.6512 160 A 4.2548 8.1243 118.4880 55.0585 18.4345 178.9216 161 I 3.9294 7.7092 116.7328 62.3935 38.6511 176.1613 162 Y 4.8528 7.9329 118.7128 54.4172 37.9219 174.0068 163 P 4.3520 0.0000 0.0000 65.9055 31.4733 178.7389 164 K 3.8798 8.1009 117.6674 58.9217 31.9157 179.1121 165 W 3.8924 8.1428 118.9009 59.3718 29.2123 178.1960 166 Q 3.9628 8.4552 119.4170 59.0709 28.3709 178.2747 167 A 3.9352 8.2932 122.0486 55.0009 18.3758 179.2552 168 L 3.7418 7.7054 118.6995 58.3828 42.1286 179.0703 169 L 4.0531 8.0483 118.8491 58.1870 41.5282 179.8423 170 T 3.8657 8.0673 115.5164 66.6363 68.2316 176.4502 171 E 3.8757 8.1575 120.1066 59.2691 30.0743 178.7348 172 V 3.7429 8.0360 118.4500 66.1438 31.6846 178.1957 173 S 4.3261 8.4491 114.7106 61.5391 62.3807 176.5547 174 A 4.0532 7.7074 122.7797 54.7653 18.1388 179.3480 175 K 3.8792 7.6297 115.5230 57.3809 32.2363 176.3001 176 Y 4.9960 7.0445 115.4548 55.9684 42.3501 176.7816 177 G 4.2527 8.2467 113.8550 46.1455 0.0000 173.8202 178 H 4.4017 8.7321 121.7488 55.8016 29.5679 173.0958 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 0 G 8.21 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 *23 N 8.14 4.61 0.00 2.74 2.84 0.00 0.00 7.31 7.45 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 24 I 8.17 3.82 1.86 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 0.73 0.90 0.00 0.00 25 E 8.40 4.57 0.00 1.89 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 2.18 2.46 0.00 26 S 8.64 3.90 0.00 3.97 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 27 I 7.38 3.64 1.86 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 1.68 1.53 0.90 0.00 0.00 28 E 8.19 4.49 0.00 2.16 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 2.34 2.19 0.00 29 N 8.32 4.45 0.00 2.79 2.90 0.00 0.00 6.96 8.69 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 30 L 7.87 4.56 0.00 1.68 1.68 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.02 4.52 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.31 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 32 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 33 I 8.06 3.81 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.81 0.00 0.00 34 R 8.66 3.71 0.00 1.77 1.75 0.00 3.27 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 35 A 8.74 3.88 1.25 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 0.00 0.00 0.00 36 L 7.39 4.37 0.00 1.71 1.56 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.40 4.44 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 Q 8.90 4.44 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 39 Q 8.96 4.52 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 40 A 7.44 4.51 1.28 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 0.00 0.00 0.00 41 P 0.00 4.32 0.00 2.07 2.15 0.00 3.66 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 2.05 2.13 0.00 42 Q 8.07 5.02 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 43 L 8.10 5.15 0.00 1.81 1.55 1.08 0.68 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 44 L 9.26 5.23 0.00 1.63 1.57 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.89 5.86 0.00 4.08 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 46 S 7.67 5.08 0.00 4.00 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 47 G 8.38 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 0.00 0.00 0.00 0.00 48 L 7.99 4.29 0.00 1.76 1.56 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.31 0.00 0.54 1.39 0.00 3.38 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 50 N 8.59 4.77 0.00 2.80 2.82 0.00 0.00 6.88 8.45 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 51 E 8.89 4.28 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 2.42 2.37 0.00 52 Q 8.23 4.02 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 53 Q 8.49 4.02 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 54 F 7.87 4.28 0.00 3.26 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 55 S 8.14 4.19 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.80 4.02 0.00 1.82 1.70 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.28 3.98 0.00 1.94 1.79 0.89 0.54 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 58 K 8.08 4.06 0.00 1.98 2.04 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.56 7.81 59 Q 8.06 4.08 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 60 A 7.73 4.36 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 61 G 7.89 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 0.00 0.00 0.00 62 V 7.64 3.76 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 0.89 0.00 0.00 0.97 0.00 0.00 63 D 8.97 4.82 0.00 2.72 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 64 V 7.63 4.65 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 0.89 0.00 0.00 0.89 0.00 0.00 65 V 9.26 4.86 2.33 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 1.41 0.00 0.00 1.16 0.00 0.00 66 I 9.19 4.80 2.05 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 1.13 0.60 1.08 0.00 0.00 67 N 9.06 4.85 0.00 3.19 2.82 0.00 0.00 6.72 6.21 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 68 L 8.24 5.40 0.00 1.42 1.32 0.23 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *70 P 0.00 4.67 0.00 2.28 2.10 0.00 3.66 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 71 D 9.46 4.46 0.00 2.67 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 72 S 8.08 4.35 0.00 4.01 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 73 S 8.06 4.31 0.00 3.96 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 74 K 8.57 4.03 0.00 1.84 1.94 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 75 D 7.94 4.47 0.00 2.64 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 76 A 7.48 4.15 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 77 H 8.44 4.45 0.00 3.19 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.39 0.00 2.02 2.10 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 79 D 7.45 4.61 0.00 2.54 2.38 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 80 E 8.25 3.76 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 81 G 7.20 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.75 3.86 0.00 1.93 1.82 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.25 7.81 83 L 7.23 3.79 0.00 1.18 1.37 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.06 3.21 1.69 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 0.90 0.00 0.00 0.38 0.00 0.00 85 T 7.99 4.00 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 1.25 0.00 0.00 86 Q 8.27 4.07 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 87 A 7.47 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.81 3.60 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 0.00 0.00 0.00 *90 D 7.46 4.53 0.00 2.67 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 91 Y 8.64 5.31 0.00 2.80 2.82 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 92 V 8.48 4.24 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 0.95 0.00 0.00 0.89 0.00 0.00 93 Y 8.49 4.89 0.00 2.60 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 94 I 8.45 4.38 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.97 0.00 0.00 95 P 0.00 4.58 0.00 1.96 1.73 0.00 3.29 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 1.76 1.53 0.00 96 V 8.45 4.30 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 1.01 0.00 0.00 0.86 0.00 0.00 97 D 8.70 4.60 0.00 2.76 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 98 W 9.17 4.63 0.00 3.41 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 99 Q 8.44 4.36 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 100 N 7.74 4.82 0.00 2.60 2.66 0.00 0.00 7.13 7.29 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 0.00 101 P 0.00 4.32 0.00 1.41 0.82 0.00 3.39 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 102 K 8.53 4.54 0.00 1.87 1.62 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.46 7.81 103 V 8.45 3.46 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 1.09 0.00 0.00 0.92 0.00 0.00 104 E 8.08 3.90 0.00 2.20 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 2.32 2.38 0.00 105 D 7.96 4.38 0.00 3.05 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 0.00 106 V 7.43 2.86 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 0.22 0.00 0.00 0.22 0.00 0.00 107 E 8.20 3.71 0.00 2.08 1.96 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 2.40 2.42 0.00 108 A 8.15 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.32 0.00 3.25 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.32 4.43 0.00 3.11 3.06 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 0.00 0.00 0.00 111 A 8.54 4.23 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 0.00 112 A 8.05 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 D 8.11 4.23 0.00 2.86 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 0.00 115 Q 7.73 4.24 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 116 H 7.56 4.96 0.00 3.02 3.24 0.00 5.82 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 0.00 117 K 8.21 4.13 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.63 7.81 118 G 8.77 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 0.00 119 K 7.60 4.55 0.00 1.93 1.87 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.59 7.81 120 D 9.00 4.90 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.92 4.80 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 0.97 0.00 0.00 0.96 0.00 0.00 122 L 8.92 5.33 0.00 1.87 1.61 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.81 5.13 2.35 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 0.92 0.00 0.00 0.73 0.00 0.00 124 H 9.47 5.98 0.00 3.54 3.45 0.00 5.71 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.40 4.59 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.83 4.24 0.00 1.70 1.53 0.86 0.74 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 0.00 127 A 7.21 4.45 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.26 4.18 0.00 2.82 2.73 0.00 0.00 7.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.43 3.47 0.00 2.26 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 0.00 130 R 7.76 3.81 0.00 1.73 1.74 0.00 3.19 0.00 0.00 3.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 131 A 7.85 3.86 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 0.00 132 S 8.05 4.22 0.00 4.41 4.38 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 0.00 133 A 8.53 4.18 1.85 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 0.00 0.00 134 F 9.02 4.21 0.00 3.00 2.37 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 0.00 135 A 8.72 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.43 4.13 0.00 3.25 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 0.00 137 L 8.35 3.90 0.00 2.13 2.01 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.63 3.56 0.00 3.38 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.32 3.60 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 140 L 7.59 3.59 0.00 1.17 1.48 0.79 0.66 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 0.00 141 K 7.23 2.71 0.00 0.86 1.01 0.00 1.29 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.08 7.81 142 Q 7.21 3.87 0.00 1.64 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.05 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.00 143 G 7.44 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 0.00 144 Q 7.98 4.03 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 145 N 8.02 4.11 0.00 2.75 2.77 0.00 0.00 7.07 7.69 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 0.00 146 P 0.00 4.36 0.00 2.41 2.24 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 147 N 8.48 4.61 0.00 2.79 2.81 0.00 0.00 6.92 8.15 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 *149 A 8.37 4.26 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 0.00 150 Q 8.56 4.16 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.52 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 151 T 8.24 4.19 4.44 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 0.00 0.00 0.00 1.56 0.00 0.00 *153 T 8.01 4.45 4.49 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 1.21 0.00 0.00 154 P 0.00 4.13 0.00 1.70 1.70 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 155 W 8.42 4.22 0.00 3.41 3.44 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 0.00 0.00 0.00 0.00 156 N 7.45 4.37 0.00 2.95 2.02 0.00 0.00 6.80 7.35 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 0.00 157 D 8.90 5.05 0.00 2.84 2.82 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 0.00 158 E 8.89 4.39 0.00 2.59 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 2.49 2.82 0.00 159 L 8.48 4.41 0.00 1.76 1.75 0.71 0.80 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 0.00 160 A 8.12 4.25 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 0.00 161 I 7.71 3.93 1.74 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 1.53 0.80 0.54 0.00 0.00 162 Y 7.93 4.85 0.00 3.36 3.06 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 0.00 0.00 0.00 163 P 0.00 4.35 0.00 2.28 2.35 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 164 K 8.10 3.88 0.00 1.65 1.63 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.51 7.81 165 W 8.14 3.89 0.00 3.72 3.39 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 0.00 166 Q 8.46 3.96 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 167 A 8.29 3.94 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 0.00 168 L 7.71 3.74 0.00 1.50 1.59 0.70 0.35 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 0.00 169 L 8.05 4.05 0.00 1.86 1.74 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.07 3.87 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 171 E 8.16 3.88 0.00 1.89 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 2.26 2.26 0.00 172 V 8.04 3.74 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 1.20 0.00 0.00 0.89 0.00 0.00 173 S 8.45 4.33 0.00 4.03 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 0.00 174 A 7.71 4.05 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 0.00 175 K 7.63 3.88 0.00 0.89 1.11 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.60 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.46 7.81 176 Y 7.04 5.00 0.00 2.92 2.72 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 0.00 177 G 8.25 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 0.00 0.00 0.00 0.00 178 H 8.73 4.40 0.00 3.08 3.15 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.