NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.1075 8.3044 120.3290 57.4400 32.8767 173.9395 4 H 4.1890 8.1830 113.2530 55.2397 32.6142 168.6867 5 V 4.7489 8.3552 128.3247 61.3388 34.0767 173.8904 6 A 4.9442 8.7428 128.2298 50.6975 23.1917 175.2454 7 Q 5.0002 8.0374 114.9450 53.9200 31.5718 172.1298 8 P 4.3642 0.0000 0.0000 62.6852 31.8678 176.2151 9 A 4.1636 8.6880 126.3650 54.8888 18.4127 177.8264 10 V 4.6178 7.2339 112.0590 60.6838 34.5435 173.4186 11 V 4.5903 8.4838 120.1818 61.5448 35.6482 173.5482 12 L 5.0146 8.3984 124.5769 52.5318 43.7874 176.3672 13 A 4.2487 8.0847 126.1094 52.1379 19.3501 177.2402 14 S 4.3959 8.4657 114.9407 57.3455 63.5285 175.1711 15 S 4.2708 8.5088 115.3096 60.4192 62.7111 175.0834 16 R 4.2494 7.7179 118.4466 55.9654 30.9005 176.8047 17 G 4.0654 7.9645 107.7704 45.2928 0.0000 173.0290 18 I 4.3828 7.9166 121.1211 59.4291 38.7437 174.0624 19 A 4.9697 8.3710 129.3389 49.9357 21.4433 175.0975 20 S 4.6821 8.8476 116.7205 55.3420 65.3689 172.8723 21 F 4.9986 7.4348 121.8894 55.0001 41.7052 173.9497 22 V 4.4690 8.4681 117.5859 61.4896 33.9726 174.6319 23 C 5.2007 9.0068 129.7394 55.0383 43.0571 172.0562 24 E 5.3212 9.0751 124.9585 54.5613 32.1448 174.6084 25 Y 5.2709 9.0952 120.5558 54.1251 41.6831 174.6926 26 A 4.7581 8.3681 122.3850 50.4407 16.9147 176.3650 *31 A 4.3919 8.0107 122.7696 51.3937 21.1441 177.5179 32 T 4.6315 7.7909 101.2959 62.0064 74.5150 173.3979 33 E 4.6776 8.0291 122.8887 53.4482 30.7262 175.4328 34 V 4.1197 7.3387 126.0923 61.4933 34.4250 174.6938 35 R 5.1614 8.8818 124.2418 53.8236 32.8439 173.8960 36 V 4.6365 8.5891 127.3061 61.1883 33.4084 174.9318 37 T 4.8968 8.8761 122.6331 61.6229 71.2428 173.5130 38 V 4.4677 8.9616 127.8755 62.3574 32.5656 175.0561 39 L 4.6214 9.0292 131.9924 54.4372 45.2720 175.0307 40 R 4.2515 7.9698 115.4174 56.4795 33.1753 174.0749 41 Q 5.5546 8.9717 128.9650 54.1497 30.4061 175.3516 *45 Q 4.1873 8.2803 123.9212 55.9712 29.6125 174.8100 46 V 5.2354 8.3303 122.5802 63.3502 33.1294 174.1595 47 T 4.7587 8.0324 116.6219 59.5319 72.9810 172.3322 48 E 4.4358 8.6440 123.4021 56.2425 29.6188 176.1696 49 V 4.0326 9.0824 128.6564 65.2177 32.2326 173.1816 50 C 5.1402 8.0361 111.9330 55.4401 42.9679 171.6927 51 A 5.3186 8.4912 118.7830 52.5812 22.4970 174.6073 52 A 4.1117 7.5361 118.8794 51.7316 22.5158 175.3228 53 T 5.2608 8.3768 115.2781 62.0740 71.6619 173.4974 54 Y 4.9152 8.6146 122.7137 55.6053 42.0307 176.5395 55 M 4.5135 8.4382 119.7341 55.4640 33.2871 175.3042 56 M 4.1087 8.8088 118.5753 59.0629 33.0727 178.0227 57 G 4.3223 7.7906 103.4955 44.5169 0.0000 169.6271 58 N 5.2480 7.7042 115.8939 50.8857 43.9061 175.3570 59 E 4.3167 8.6858 119.2106 56.5161 30.2673 177.5659 60 L 4.2260 8.8809 124.4389 55.0976 42.6650 175.3472 61 T 4.4017 8.3342 106.1283 61.3082 71.2076 173.7889 62 F 3.8101 7.5988 123.1799 57.4541 37.3993 178.0432 63 L 3.4524 8.5189 124.2898 55.0151 41.5442 174.8804 64 D 4.5427 8.8618 131.3641 54.1550 42.4856 176.9583 65 D 4.7599 8.2425 117.5835 52.8631 39.7326 175.9466 66 S 4.4830 7.8678 114.9260 58.6478 63.3485 173.0043 67 I 4.5792 8.1144 113.1581 60.7755 38.2522 175.5658 68 C 5.3148 7.9173 118.0843 56.5210 42.8458 174.6035 69 T 4.1724 8.0077 110.9242 61.3202 70.3117 172.7059 70 G 4.9383 8.5929 114.6996 44.3960 0.0000 170.0582 71 T 5.2447 8.1269 109.9563 59.9150 72.4140 172.5625 72 S 4.9705 8.0732 114.6584 57.7348 66.8658 173.6534 73 S 4.8164 8.8883 111.2272 58.3809 64.3992 170.2112 74 G 3.8113 8.8651 123.4037 46.6891 0.0000 170.9633 75 N 4.3268 9.0415 125.5141 53.2240 37.7067 173.7713 76 Q 5.2068 7.1775 112.8747 54.4477 33.2227 174.3577 77 V 4.7928 8.5951 111.7002 60.0303 36.5022 174.1741 78 N 4.9477 9.0138 123.4654 52.6027 39.5795 174.7530 79 L 4.5991 7.9250 123.5738 53.9215 44.7461 176.6720 80 T 4.5199 7.4146 114.3650 62.8992 71.9583 172.8503 81 I 4.2604 8.5284 128.6926 60.7613 38.7035 175.7110 82 Q 4.8971 8.8894 125.5775 53.4233 32.0489 174.9512 83 G 4.0416 8.5779 105.2223 46.5552 0.0000 173.8144 84 L 4.5969 7.5603 117.5214 54.4428 42.5571 177.2096 85 R 4.6176 8.8642 118.4608 55.1047 33.3962 175.4835 86 A 4.1295 8.7499 120.3405 56.3962 18.5031 180.2319 87 M 4.1926 8.0125 111.3398 58.1839 31.5943 177.4077 88 D 4.5880 7.9181 118.9604 57.9959 41.1208 177.1089 89 T 4.4396 6.2678 112.0513 61.8517 68.8424 173.2453 90 G 3.9801 8.1116 113.0349 45.9499 0.0000 171.3111 91 L 4.2371 7.7632 121.8005 54.8719 42.7082 175.5230 92 Y 4.6909 8.7482 126.4337 56.6800 38.5687 175.0353 93 I 4.0080 7.8825 126.7294 61.1251 39.0262 174.7481 94 C 4.9562 8.7769 127.3114 54.9221 45.5722 172.1115 95 K 4.6627 9.0469 128.2635 55.6185 33.9777 175.6618 96 V 4.6871 8.7662 125.2274 61.4514 34.6873 173.7843 97 E 4.7988 8.8336 127.5616 54.6847 32.1396 175.2047 98 L 4.7172 7.8472 125.9101 53.5201 41.5702 177.4346 99 M 4.9393 7.9927 122.3026 54.4435 33.9036 174.6259 100 Y 4.0668 8.9556 120.4827 58.6840 39.8128 175.8894 101 P 3.1078 0.0000 0.0000 60.3248 32.6542 173.8688 102 P 4.2784 0.0000 0.0000 62.0638 31.6399 173.9965 103 P 4.3408 0.0000 0.0000 62.0017 32.1482 175.3684 104 Y 4.5272 7.9690 120.4281 57.8433 40.3889 173.9577 105 Y 4.7033 5.4962 114.1654 57.4391 42.0293 172.5324 106 L 4.6543 8.9481 126.9530 53.2891 44.1180 175.3366 107 G 4.2978 8.7601 114.1504 44.4098 0.0000 171.2198 108 I 4.9031 8.2800 123.3693 59.2202 40.6139 175.6718 109 G 4.1479 8.1120 112.5175 44.3792 0.0000 173.1997 110 N 4.7067 8.7003 115.2731 52.3399 38.7659 173.2891 111 G 3.9153 7.9492 114.8507 45.8579 0.0000 173.9208 112 T 4.3340 7.5399 116.2286 59.6825 70.7636 172.8213 113 Q 4.0450 8.4749 127.8382 54.9030 30.3662 174.5628 114 I 4.5052 8.1143 128.6329 60.2109 38.6840 174.7773 115 Y 4.9523 8.3501 126.2226 56.8672 38.4478 176.6007 116 V 4.1880 10.0592 123.5180 62.3590 33.6688 173.8439 117 I 3.8282 7.6021 122.4900 59.2499 36.7314 174.2017 118 D 5.1895 7.2676 124.1165 53.0134 39.6012 175.7242 119 P 4.6254 0.0000 0.0000 61.5682 33.1846 176.4163 120 E 4.1299 8.6368 116.1583 57.1232 29.2953 176.8115 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 3 M 8.30 4.11 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 4 H 8.18 4.19 0.00 3.32 3.12 0.00 5.90 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.36 4.75 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 1.04 0.00 0.00 1.02 0.00 0.00 6 A 8.74 4.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.04 5.00 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.03 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 8 P 0.00 4.36 0.00 2.11 2.07 0.00 3.79 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 9 A 8.69 4.16 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 10 V 7.23 4.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.10 0.00 0.00 11 V 8.48 4.59 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 0.97 0.00 0.00 1.00 0.00 0.00 12 L 8.40 5.01 0.00 1.54 1.59 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.08 4.25 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.47 4.40 0.00 3.89 3.76 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 15 S 8.51 4.27 0.00 4.01 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 16 R 7.72 4.25 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 17 G 7.96 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 18 I 7.92 4.38 1.83 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 1.24 1.16 0.85 0.00 0.00 19 A 8.37 4.97 1.17 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 0.00 0.00 20 S 8.85 4.68 0.00 3.67 3.61 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 21 F 7.43 5.00 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.47 4.47 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 0.99 0.00 0.00 0.94 0.00 0.00 23 C 9.01 5.20 0.00 3.42 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 24 E 9.08 5.32 0.00 1.97 1.95 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 2.31 2.19 0.00 25 Y 9.10 5.27 0.00 2.86 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 26 A 8.37 4.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 A 8.01 4.39 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.79 4.63 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 1.22 0.00 0.00 33 E 8.03 4.68 0.00 2.14 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 2.13 2.12 0.00 34 V 7.34 4.12 1.48 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 0.35 0.00 0.00 0.78 0.00 0.00 35 R 8.88 5.16 0.00 1.87 1.74 0.00 3.18 0.00 0.00 3.34 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 V 8.59 4.64 2.25 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 0.89 0.00 0.00 1.14 0.00 0.00 37 T 8.88 4.90 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 1.31 0.00 0.00 38 V 8.96 4.47 2.25 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 1.12 0.00 0.00 1.15 0.00 0.00 39 L 9.03 4.62 0.00 1.50 1.56 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.97 4.25 0.00 1.21 1.58 0.00 2.68 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.00 41 Q 8.97 5.55 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.18 0.00 0.00 0.00 0.00 0.00 2.34 2.15 0.00 *45 Q 8.28 4.19 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 46 V 8.33 5.24 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 0.76 0.00 0.00 0.90 0.00 0.00 47 T 8.03 4.76 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 E 8.64 4.44 0.00 2.02 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 2.33 2.35 0.00 49 V 9.08 4.03 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 0.97 0.00 0.00 0.91 0.00 0.00 50 C 8.04 5.14 0.00 3.36 3.24 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 51 A 8.49 5.32 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 52 A 7.54 4.11 0.04 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 0.00 0.00 53 T 8.38 5.26 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 1.24 0.00 0.00 54 Y 8.61 4.92 0.00 3.04 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 55 M 8.44 4.51 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 56 M 8.81 4.11 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 57 G 7.79 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.70 5.25 0.00 2.79 2.76 0.00 0.00 7.00 7.66 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 59 E 8.69 4.32 0.00 1.88 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 2.32 2.36 0.00 60 L 8.88 4.23 0.00 1.81 1.90 0.45 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.33 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 62 F 7.60 3.81 0.00 3.17 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 63 L 8.52 3.45 0.00 1.75 1.24 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.86 4.54 0.00 2.74 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 65 D 8.24 4.76 0.00 2.80 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 66 S 7.87 4.48 0.00 4.03 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 67 I 8.11 4.58 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.92 0.00 0.00 68 C 7.92 5.31 0.00 1.72 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 0.00 0.00 0.00 69 T 8.01 4.17 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 1.13 0.00 0.00 70 G 8.59 4.94 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 71 T 8.13 5.24 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 1.18 0.00 0.00 72 S 8.07 4.97 0.00 4.17 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 73 S 8.89 4.82 0.00 3.96 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 74 G 8.87 3.81 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 0.00 0.00 0.00 75 N 9.04 4.33 0.00 2.79 2.77 0.00 0.00 7.12 7.74 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 76 Q 7.18 5.21 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 77 V 8.60 4.79 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 1.07 0.00 0.00 1.13 0.00 0.00 78 N 9.01 4.95 0.00 2.66 2.65 0.00 0.00 6.57 6.15 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 79 L 7.92 4.60 0.00 0.54 1.14 1.10 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.41 4.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 81 I 8.53 4.26 1.75 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 1.14 0.86 0.94 0.00 0.00 82 Q 8.89 4.90 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 83 G 8.58 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 0.00 0.00 0.00 84 L 7.56 4.60 0.00 1.76 1.60 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.86 4.62 0.00 1.82 1.83 0.00 3.14 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 86 A 8.75 4.13 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 87 M 8.01 4.19 0.00 2.16 2.25 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 2.60 2.60 0.00 88 D 7.92 4.59 0.00 2.99 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 89 T 6.27 4.44 4.34 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 1.35 0.00 0.00 90 G 8.11 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 91 L 7.76 4.24 0.00 1.74 1.54 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.75 4.69 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 93 I 7.88 4.01 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.90 0.00 0.00 94 C 8.78 4.96 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 9.05 4.66 0.00 1.89 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 96 V 8.77 4.69 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 0.20 0.00 0.00 1.04 0.00 0.00 97 E 8.83 4.80 0.00 1.96 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 2.29 2.24 0.00 98 L 7.85 4.72 0.00 1.76 1.46 0.78 1.01 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 99 M 7.99 4.94 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 100 Y 8.96 4.07 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 0.00 101 P 0.00 3.11 0.00 1.78 1.35 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 102 P 0.00 4.28 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 103 P 0.00 4.34 0.00 1.79 1.91 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 104 Y 7.97 4.53 0.00 2.81 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 0.00 105 Y 5.50 4.70 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.95 4.65 0.00 1.66 1.63 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.76 4.30 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 0.00 108 I 8.28 4.90 1.88 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 1.29 0.73 0.91 0.00 0.00 109 G 8.11 4.15 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 0.00 0.00 0.00 110 N 8.70 4.71 0.00 2.68 2.84 0.00 0.00 6.90 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 0.00 111 G 7.95 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 0.00 112 T 7.54 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 113 Q 8.47 4.04 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 1.98 1.40 0.00 114 I 8.11 4.51 1.50 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.76 0.00 0.00 115 Y 8.35 4.95 0.00 2.94 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 0.00 116 V 10.06 4.19 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 0.80 0.00 0.00 0.96 0.00 0.00 117 I 7.60 3.83 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.75 0.94 0.00 0.00 118 D 7.27 5.19 0.00 2.81 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 0.00 119 P 0.00 4.63 0.00 2.07 2.06 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 120 E 8.64 4.13 0.00 2.07 1.95 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 2.28 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.