NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0438 7.8827 121.4356 61.1347 37.4622 173.7713 17 V 4.3717 8.0697 124.7557 61.7610 32.9058 174.2850 18 G 3.8303 9.0017 114.5775 46.3844 0.0000 173.4362 19 G 4.3469 7.1467 106.4656 45.1794 0.0000 173.0129 20 Y 5.0961 7.8025 118.0081 55.1714 42.2892 175.0994 21 T 4.2268 8.5858 117.2848 64.0379 68.4071 175.4122 22 C 4.3050 8.7461 125.3242 59.4213 38.0044 175.2814 23 G 3.9704 8.4934 106.2908 44.7708 0.0000 172.1063 24 A 3.9443 8.5667 125.0391 53.4200 18.2539 176.9521 25 N 4.2406 8.7318 120.7592 55.1097 36.0326 175.6432 26 T 4.2371 7.7928 107.8930 62.6026 70.0539 175.1046 27 V 4.0926 7.0469 122.0613 60.3183 31.2745 173.5827 28 P 4.5174 0.0000 0.0000 63.9358 32.1211 178.0564 29 Y 5.0200 6.8222 116.1472 56.6258 38.8326 174.6732 30 Q 4.5439 7.4638 123.6826 56.3187 29.2979 175.5137 31 V 4.8240 8.9771 119.2804 59.6718 35.7713 174.2280 32 S 4.9606 8.7298 117.5915 56.6303 64.5968 172.7954 33 L 4.5807 8.5252 127.9277 53.7348 43.0158 175.1843 34 N 5.8673 9.1405 122.5573 49.9796 42.1597 174.8837 *37 S 4.1744 8.4107 120.1926 58.4506 64.1384 174.4343 38 G 3.9319 8.8493 108.1094 46.3984 0.0000 172.9012 39 Y 4.5360 6.2960 113.5984 56.0229 40.8374 173.0762 40 H 4.5692 8.9112 121.8553 56.3477 30.3740 175.0028 41 F 5.0127 8.1284 119.4734 56.7891 39.5915 173.8774 42 C 4.7196 6.7633 116.5628 56.0989 44.6522 173.8643 43 G 4.0491 8.2884 108.7952 46.0762 0.0000 172.1011 44 G 4.2347 7.4745 105.6442 46.1262 0.0000 172.6728 45 S 5.4396 8.6470 115.5816 56.4142 66.6203 173.6048 46 L 4.7771 9.1854 127.3526 54.6917 42.5020 177.0681 47 I 4.2624 8.5125 119.5375 60.9007 38.8973 174.3979 48 N 4.5639 7.5162 117.4295 52.3566 39.3513 175.0200 49 S 4.2355 8.5216 111.8318 60.5631 63.2318 175.2745 50 Q 4.4801 8.8034 118.9687 55.3255 29.8869 174.7638 51 W 5.6155 8.1832 118.1761 54.8390 33.5832 174.3151 52 V 5.1011 9.3200 123.7871 61.0439 34.4317 174.4556 53 V 4.9383 8.6020 125.9163 60.4235 34.5037 174.8423 54 S 4.9395 8.7655 116.0636 57.3968 66.3253 172.0089 55 A 4.7278 8.4860 120.7732 51.0396 19.8289 178.6800 56 A 3.8577 8.3250 124.7165 55.1761 18.4866 179.0783 57 H 4.5770 8.2197 109.6483 57.3461 28.7963 175.5068 58 C 4.6482 7.8698 117.1213 57.6448 40.5271 173.3529 59 Y 4.3079 7.5635 121.7530 58.1415 38.7756 175.4613 60 K 3.8275 7.1906 123.5054 55.2745 35.9991 175.2319 61 S 4.3884 7.9653 115.9888 58.3108 64.5955 173.3921 62 G 3.6626 8.4417 106.7103 46.7272 0.0000 173.4677 63 I 4.3129 7.5718 119.6687 59.8848 39.2645 174.9258 64 Q 4.7825 8.8712 128.1327 54.2605 31.5110 174.1431 64A V 4.4558 8.6882 126.9496 61.8119 33.4544 174.5311 65 R 5.1667 8.9083 127.2697 54.6432 32.5444 175.2205 66 L 4.7665 9.1133 124.5294 52.8630 44.8096 177.7020 *69 G 3.9388 8.3369 107.5898 45.1667 0.0000 172.8902 70 E 4.2414 8.1521 119.1460 56.0306 29.5727 174.3866 71 D 4.9168 8.0196 119.2521 55.3215 44.1137 174.1766 72 N 5.0821 9.0709 117.5349 53.0621 39.3697 176.1371 73 I 3.9907 8.3614 119.3091 62.0002 37.9363 176.1264 74 N 4.7565 7.9270 117.2462 53.1404 39.4513 174.6862 75 V 4.3199 7.3213 117.0380 60.7210 34.3307 174.8501 76 V 4.1671 8.4710 126.8761 62.5330 31.2328 175.1677 77 E 4.4635 9.2450 127.0771 55.4161 30.5362 176.5333 78 G 4.0705 8.1306 107.2467 45.5487 0.0000 174.4680 79 N 4.8526 8.1655 115.1206 53.0382 39.7798 174.9241 80 E 4.4772 7.9534 118.5145 56.3958 30.7674 176.1964 81 Q 4.3919 8.8931 120.7369 54.1513 32.5763 174.2380 82 F 5.5773 8.7733 122.7075 55.9576 41.1469 174.9594 83 I 4.6596 8.7872 125.0225 59.2170 40.6099 175.7180 84 S 4.5864 8.6927 122.2702 58.3675 64.1314 173.3781 85 A 4.6725 8.3662 125.4529 52.0813 18.4410 177.6466 86 S 4.6178 8.8821 115.5229 58.5597 65.1603 174.3857 87 K 4.5812 7.5966 120.7298 55.4213 35.4254 174.1538 88 S 5.3618 8.8617 122.6160 56.8624 66.1357 173.6701 89 I 4.5173 9.1372 124.2539 59.4798 40.1998 175.0569 90 V 4.0764 8.3266 127.3267 62.2106 32.6961 175.1651 91 H 4.1348 8.7093 126.4215 56.0525 30.1187 174.4698 92 P 4.2856 0.0000 0.0000 65.4050 31.1973 177.0480 93 S 4.7876 7.9429 113.1701 58.0639 63.2977 173.2833 94 Y 4.3863 7.9458 122.1408 57.6225 39.0641 174.6735 95 N 4.5457 8.2878 125.7226 51.4563 40.0323 175.1330 96 S 3.8132 7.9398 120.8156 60.3104 63.7980 175.5507 97 N 4.4212 8.4409 119.4508 56.4073 38.3770 176.5385 98 T 4.0410 7.9370 105.0541 61.6623 69.5331 175.0150 99 L 3.7780 7.9269 120.6355 55.4312 40.0351 173.9110 100 N 4.4089 7.7711 117.6270 54.6623 39.4635 174.6365 101 N 4.2222 8.6633 120.8574 54.6768 35.6891 175.6112 102 D 4.7047 8.0428 118.0663 53.1037 40.0293 174.4215 103 I 4.8830 7.5220 121.5241 59.6102 42.0134 172.4757 104 M 5.2293 9.1187 124.4629 54.1275 35.2754 173.2650 105 L 5.3999 9.0523 119.7399 53.1888 45.2430 175.6612 106 I 5.0577 9.0629 123.0185 59.5051 40.8402 174.2277 107 K 3.7941 8.7927 128.9753 54.5771 33.7031 175.4448 108 L 4.6128 8.0425 127.4683 53.8543 42.2170 177.3365 109 K 4.2149 8.8553 122.6619 59.1352 32.4728 177.5225 110 S 4.5684 7.7142 111.2840 55.9138 66.0337 173.2844 111 A 4.3514 8.3996 123.2770 52.0068 18.6551 177.4786 112 A 4.2620 8.7218 124.1851 52.0716 19.4788 177.3354 113 S 4.4842 9.0308 117.5596 57.6841 63.7480 174.0684 114 L 4.6968 8.5145 125.5997 53.5453 43.1736 175.8372 115 N 4.8706 8.8281 120.1995 52.3278 39.7858 174.6034 116 S 4.1850 8.8683 112.9976 62.4517 62.9494 176.0560 117 R 4.0666 8.4035 117.7719 57.6106 30.2455 176.6922 118 V 4.4634 7.7783 116.6219 60.8860 33.6544 173.7649 119 A 5.1513 8.5671 128.4382 50.3234 22.8965 175.2583 120 S 5.0449 8.7328 114.4149 57.8772 64.8425 173.0287 121 I 4.4007 8.2600 121.2247 59.1616 39.6685 175.6214 122 S 4.3519 8.4054 123.8262 58.2470 63.5537 174.1933 123 L 4.3676 8.0791 123.3962 53.2656 42.5289 175.1830 124 P 4.4921 0.0000 0.0000 63.0770 32.2797 176.4810 125 T 4.0462 8.2579 116.1769 65.5144 69.2853 175.2561 *127 S 4.6738 7.5362 114.3984 58.2981 63.9272 174.0101 128 C 4.4536 8.4507 119.1403 56.8074 40.7556 173.1320 129 A 4.5915 7.9691 124.0177 50.8617 20.5740 176.6067 130 S 4.4765 7.9883 113.3684 56.4362 65.4848 173.1280 *132 A 4.2295 8.1853 122.8965 53.5258 19.2012 176.7849 133 G 4.0612 9.1909 110.4903 45.4668 0.0000 174.5113 134 T 4.0253 7.5507 116.6302 63.8032 69.5552 173.5841 135 Q 4.6699 8.5867 124.7658 55.4187 29.9644 175.7817 136 C 5.1802 9.4577 120.5842 55.0171 45.0861 172.4054 137 L 5.2014 8.5372 122.0557 53.5398 43.6093 175.3776 138 I 4.7967 8.7582 127.3294 59.6030 40.0760 174.8306 139 S 4.8151 8.2286 119.3142 56.8580 66.3707 172.9366 140 G 3.7167 7.8864 107.6708 45.9944 0.0000 173.3601 141 W 4.5921 8.7999 117.2845 56.2320 29.4961 177.1140 142 G 4.0863 7.8863 108.5181 44.0233 0.0000 173.3507 143 N 3.4243 8.2344 117.2413 54.2985 38.8227 174.4974 144 T 5.1603 8.1343 113.2763 60.5415 69.6008 174.3135 145 K 4.6128 7.7484 121.8678 54.4971 34.5419 176.5427 146 S 4.1864 8.6863 117.8858 60.4265 63.3491 174.2051 147 S 4.2985 8.1014 114.5682 58.5391 64.1387 172.1485 148 G 3.8054 8.9548 113.1399 44.3800 0.0000 171.7756 149 T 4.8189 8.1349 108.0969 59.8094 71.3050 173.8631 150 S 4.4890 9.1944 120.7597 57.3503 65.6469 171.9614 151 Y 4.6134 8.8042 125.8917 56.1093 38.8247 174.1496 152 P 4.6879 0.0000 0.0000 62.4534 32.9134 175.6573 153 D 4.7960 8.6276 117.7570 54.7613 41.8468 176.5535 154 V 5.4451 7.4520 111.2305 58.2892 34.8476 175.2068 155 L 3.2798 8.3208 123.5865 54.8745 43.0531 175.7958 156 K 4.8714 8.2412 125.1619 54.8271 34.9702 174.6301 157 C 5.2314 8.3680 120.4889 55.0612 44.3807 172.8377 158 L 4.9220 8.5835 122.5331 53.5504 45.4836 174.4759 159 K 5.0032 8.9039 127.3144 55.1987 33.5411 175.2534 160 A 4.8700 9.0807 128.3503 50.1507 23.0274 173.3409 161 P 5.2035 0.0000 0.0000 61.5030 34.2454 174.9750 162 I 4.2040 8.5498 122.9237 61.5946 37.9765 175.8728 163 L 4.9144 8.6065 127.2610 53.1663 43.5137 176.9131 164 S 4.3554 8.4715 114.9285 58.1565 63.9331 175.0399 165 D 4.4703 8.8468 122.4393 57.7813 40.4203 179.4269 166 S 4.1977 8.0620 114.2744 61.4851 63.2511 176.5625 167 S 4.0967 7.8681 118.4899 61.3447 62.5609 175.8354 168 C 4.3500 8.2752 121.1239 59.8955 38.7171 175.9361 169 K 3.9611 8.5120 120.3816 59.4918 31.3484 179.6458 170 S 4.1434 8.2717 114.9950 61.2803 62.7586 176.1620 171 A 4.0899 7.6973 122.5972 53.6241 19.3876 177.1531 172 Y 4.6691 7.6715 114.9140 55.4856 38.6334 171.8362 173 P 4.8745 0.0000 0.0000 62.5255 32.3856 177.0807 174 G 3.9633 8.9403 109.7196 46.1906 0.0000 173.8084 175 Q 4.5362 8.1518 116.6261 55.2561 30.4016 175.4249 176 I 4.3351 7.7092 119.4212 59.6792 38.7547 175.1195 177 T 4.5897 8.0447 114.8350 59.5185 71.1267 174.8638 178 S 4.3887 8.5043 114.3962 59.9942 63.1209 174.1857 179 N 4.9185 7.8145 118.4458 53.3322 38.3989 174.4272 180 M 4.9157 7.7274 117.3561 53.6468 35.8956 174.5509 181 F 5.0290 7.9288 114.3468 55.7201 41.3826 174.1609 182 C 5.1082 8.7661 118.0434 55.7285 37.9756 172.6817 183 A 5.3549 7.7030 121.4399 50.5454 22.7141 176.5016 *983 G 4.4142 8.4964 106.1971 46.6534 0.0000 172.8168 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 16 I 7.88 4.04 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.85 0.81 0.00 0.00 17 V 8.07 4.37 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 0.96 0.00 0.00 0.86 0.00 0.00 18 G 9.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.15 4.35 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 0.00 20 Y 7.80 5.10 0.00 2.98 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 21 T 8.59 4.23 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 1.23 0.00 0.00 22 C 8.75 4.30 0.00 2.85 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 23 G 8.49 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 0.00 0.00 0.00 24 A 8.57 3.94 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 25 N 8.73 4.24 0.00 2.87 2.92 0.00 0.00 7.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.79 4.24 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 1.27 0.00 0.00 27 V 7.05 4.09 1.75 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 0.29 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.52 0.00 2.29 2.28 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 29 Y 6.82 5.02 0.00 3.27 3.40 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 30 Q 7.46 4.54 0.00 1.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.46 0.00 0.00 0.00 0.00 0.00 1.89 2.51 0.00 31 V 8.98 4.82 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 0.85 0.00 0.00 1.01 0.00 0.00 32 S 8.73 4.96 0.00 3.06 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 33 L 8.53 4.58 0.00 0.47 0.92 0.76 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.14 5.87 0.00 2.51 2.48 0.00 0.00 6.56 7.03 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 *37 S 8.41 4.17 0.00 3.70 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 38 G 8.85 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 0.00 0.00 0.00 39 Y 6.30 4.54 0.00 3.20 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 40 H 8.91 4.57 0.00 2.92 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.13 5.01 0.00 3.20 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 42 C 6.76 4.72 0.00 2.22 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.29 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 0.00 0.00 0.00 44 G 7.47 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 0.00 0.00 0.00 0.00 45 S 8.65 5.44 0.00 3.82 3.84 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 46 L 9.19 4.78 0.00 1.86 1.66 1.04 0.92 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 47 I 8.51 4.26 1.90 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 1.54 1.00 0.94 0.00 0.00 48 N 7.52 4.56 0.00 2.99 3.01 0.00 0.00 6.16 8.33 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 49 S 8.52 4.24 0.00 4.18 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 0.00 50 Q 8.80 4.48 0.00 2.17 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 51 W 8.18 5.62 0.00 3.34 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 52 V 9.32 5.10 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 1.14 0.00 0.00 0.98 0.00 0.00 53 V 8.60 4.94 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 0.68 0.00 0.00 0.96 0.00 0.00 54 S 8.77 4.94 0.00 3.88 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 55 A 8.49 4.73 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 56 A 8.32 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.22 4.58 0.00 3.38 3.58 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.87 4.65 0.00 3.20 3.32 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 59 Y 7.56 4.31 0.00 2.98 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 60 K 7.19 3.83 0.00 1.40 1.25 0.00 0.66 0.00 0.00 1.23 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.86 7.81 61 S 7.97 4.39 0.00 3.90 3.79 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 62 G 8.44 3.66 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 0.00 0.00 0.00 63 I 7.57 4.31 1.88 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 1.50 0.85 0.93 0.00 0.00 64 Q 8.87 4.78 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.46 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 64A V 8.69 4.46 2.17 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 0.99 0.00 0.00 0.90 0.00 0.00 65 R 8.91 5.17 0.00 1.60 1.83 0.00 2.67 0.00 0.00 2.56 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.27 0.00 66 L 9.11 4.77 0.00 1.61 1.62 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.34 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 70 E 8.15 4.24 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.08 0.00 71 D 8.02 4.92 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.07 5.08 0.00 2.88 2.80 0.00 0.00 7.19 7.43 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 73 I 8.36 3.99 1.41 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.52 -0.54 0.00 0.00 74 N 7.93 4.76 0.00 2.72 2.88 0.00 0.00 6.64 7.91 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 75 V 7.32 4.32 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 0.78 0.00 0.00 0.95 0.00 0.00 76 V 8.47 4.17 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 0.88 0.00 0.00 1.01 0.00 0.00 77 E 9.25 4.46 0.00 1.98 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 2.27 2.46 0.00 78 G 8.13 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 79 N 8.17 4.85 0.00 2.65 2.82 0.00 0.00 7.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.95 4.48 0.00 1.35 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 81 Q 8.89 4.39 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 82 F 8.77 5.58 0.00 2.81 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 83 I 8.79 4.66 1.88 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 1.24 0.90 0.93 0.00 0.00 84 S 8.69 4.59 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.37 4.67 1.26 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 0.00 0.00 86 S 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0.00 0.00 111 A 8.40 4.35 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 0.00 112 A 8.72 4.26 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 0.00 113 S 9.03 4.48 0.00 3.75 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 0.00 114 L 8.51 4.70 0.00 1.65 1.63 0.96 1.10 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 0.00 115 N 8.83 4.87 0.00 2.88 2.92 0.00 0.00 6.63 8.44 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 0.00 116 S 8.87 4.18 0.00 3.89 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 0.00 117 R 8.40 4.07 0.00 1.84 2.00 0.00 3.43 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 118 V 7.78 4.46 2.23 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 1.11 0.00 0.00 0.97 0.00 0.00 119 A 8.57 5.15 1.28 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1.33 7.81 146 S 8.69 4.19 0.00 3.97 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 0.00 147 S 8.10 4.30 0.00 3.79 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 0.00 148 G 8.95 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 0.00 149 T 8.13 4.82 4.47 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 1.30 0.00 0.00 150 S 9.19 4.49 0.00 3.87 3.67 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 0.00 151 Y 8.80 4.61 0.00 2.97 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 0.00 152 P 0.00 4.69 0.00 2.38 2.06 0.00 4.06 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 153 D 8.63 4.80 0.00 2.79 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 0.00 154 V 7.45 5.45 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 1.09 0.00 0.00 0.97 0.00 0.00 155 L 8.32 3.28 0.00 1.34 1.26 -0.58 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.24 4.87 0.00 1.64 1.47 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 157 C 8.37 5.23 0.00 1.54 2.40 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 0.00 158 L 8.58 4.92 0.00 1.62 1.39 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.90 5.00 0.00 1.95 1.77 0.00 1.96 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.54 7.81 160 A 9.08 4.87 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 0.00 161 P 0.00 5.20 0.00 2.14 2.31 0.00 3.90 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 162 I 8.55 4.20 1.93 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.82 0.00 0.00 163 L 8.61 4.91 0.00 1.62 1.64 0.98 0.87 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 0.00 164 S 8.47 4.36 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 0.00 165 D 8.85 4.47 0.00 2.73 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 0.00 166 S 8.06 4.20 0.00 4.06 4.13 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 0.00 0.00 0.00 0.00 167 S 7.87 4.10 0.00 4.07 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 0.00 168 C 8.28 4.35 0.00 3.22 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 0.00 169 K 8.51 3.96 0.00 1.93 1.88 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.60 7.81 170 S 8.27 4.14 0.00 3.81 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 0.00 171 A 7.70 4.09 0.97 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 0.00 0.00 172 Y 7.67 4.67 0.00 2.98 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 0.00 173 P 0.00 4.87 0.00 2.06 1.99 0.00 3.87 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 174 G 8.94 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 0.00 175 Q 8.15 4.54 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 176 I 7.71 4.34 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 1.74 0.93 0.96 0.00 0.00 177 T 8.04 4.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 178 S 8.50 4.39 0.00 4.02 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 0.00 179 N 7.81 4.92 0.00 2.84 2.87 0.00 0.00 6.70 8.25 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 0.00 180 M 7.73 4.92 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 181 F 7.93 5.03 0.00 3.02 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 0.00 182 C 8.77 5.11 0.00 3.01 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 A 7.70 5.35 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 *983 G 8.50 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.