NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6692 8.4645 119.5570 52.5004 42.8566 177.6049 3 S 3.8425 8.5878 115.3804 59.0961 61.1741 175.9036 4 A 3.8522 9.5152 118.6567 53.6531 17.3836 179.5931 5 I 4.0011 7.7668 116.2752 61.4037 36.2377 179.6128 6 T 5.0068 8.1670 114.6095 59.0385 72.6216 173.7701 7 L 2.9161 9.3221 122.8155 58.1542 41.7896 179.2155 8 W 4.0499 8.8553 118.9831 59.8354 28.5743 178.3133 9 Q 3.0919 6.4290 118.3888 58.0201 27.9690 178.0300 10 F 4.2176 8.1003 122.1469 61.1637 39.5243 177.6598 11 L 4.3851 7.8611 117.6831 54.0260 40.6746 178.2989 12 L 4.4729 7.4566 112.8736 55.7634 45.9498 176.2649 13 Q 4.3113 8.4408 122.8752 57.1213 30.9399 176.6543 14 L 4.2667 7.5070 114.5623 54.1474 41.4229 179.1832 15 L 4.6681 7.6612 117.9555 55.7106 42.4194 176.3130 16 Q 4.7602 7.9804 111.4196 55.0301 30.5870 174.4474 17 K 4.6395 7.8509 118.1810 53.6376 35.3341 175.4082 18 P 4.3527 0.0000 0.0000 66.3964 31.2430 178.9518 19 Q 3.6426 6.8608 113.2610 58.3809 29.2696 178.8865 20 N 4.9945 7.8030 115.3562 52.7995 38.4417 176.6765 21 K 4.5324 8.5829 116.5274 57.2787 32.9748 178.5769 22 H 4.5155 8.3076 114.4021 57.3138 29.5502 175.8969 23 M 4.2878 7.6618 116.6910 56.1735 32.9708 175.9862 24 I 4.9625 7.6633 120.6585 58.6573 40.8601 174.0368 25 C 4.6467 8.8080 122.8221 56.9440 33.5243 174.2898 26 W 4.6352 8.5887 119.7892 58.9548 30.4832 175.5955 27 T 4.1355 9.0572 115.1238 65.4681 71.1419 174.3276 28 S 3.8812 8.9473 123.5480 57.9910 61.9421 170.5673 29 N 4.8289 8.2877 114.5072 52.8942 38.1621 175.0946 30 D 4.7478 8.0858 117.4694 53.7682 39.7479 176.3186 31 G 3.7863 7.9672 107.5414 45.7777 0.0000 174.3637 32 Q 4.5068 7.7362 120.9305 57.1629 30.1319 175.7197 33 F 5.0105 9.0981 116.5924 56.6112 41.9140 172.2211 34 K 4.7509 9.3003 119.4396 55.0969 35.8661 175.2142 35 L 4.8830 9.6932 126.9797 53.3030 40.8273 176.4300 36 L 3.5888 9.2932 124.4588 57.0456 41.9776 178.2438 37 Q 4.1747 7.4240 119.1230 53.0458 27.7655 175.2105 38 A 4.0007 7.2633 121.5051 54.6548 18.2295 179.0747 39 E 4.0435 7.8260 115.1276 58.7018 30.1322 179.4500 40 E 4.0893 7.9583 118.1169 58.5783 29.7911 178.3061 41 V 3.6021 8.1889 118.6143 66.3564 31.6259 178.0487 42 A 4.3198 8.2223 119.3965 54.9483 17.9392 179.3812 43 R 4.0448 7.7921 117.6843 59.4393 29.8974 178.7727 44 L 4.1758 8.3396 118.5281 58.0045 41.9474 178.4366 45 W 4.8644 8.9822 128.3377 60.7412 30.4682 177.7858 46 G 3.8991 9.2141 107.7848 48.7271 0.0000 175.5940 47 I 3.6834 7.1776 121.4207 63.7113 35.7952 178.2560 48 R 4.0960 7.6682 120.5268 56.5964 30.7446 176.1547 49 K 3.3567 7.5643 123.1812 63.6880 29.0925 177.5598 50 N 3.8028 6.5831 112.2480 55.2688 36.1553 176.7161 51 K 4.4534 7.8363 121.2099 54.1843 31.8668 176.3964 52 P 4.4066 0.0000 0.0000 64.5961 31.6561 177.3066 53 N 4.9122 7.7089 115.7367 53.2906 39.1170 174.2590 54 M 4.3314 7.9970 118.5698 54.9153 33.1367 174.5610 55 N 4.3539 8.1409 118.2163 51.4411 39.1898 174.8474 56 Y 4.2147 8.1903 121.7526 61.8713 38.5515 178.8274 57 D 3.8990 8.3878 119.7349 58.3155 40.0213 178.7325 58 K 4.4143 8.0649 116.7001 57.9496 32.6284 178.0351 59 L 4.0502 9.1162 121.9019 58.6892 42.1039 179.6485 60 S 3.6989 8.4776 113.8312 61.2682 62.2580 175.8448 61 R 3.4969 7.7944 120.9460 59.4116 29.5332 177.7487 62 A 4.0107 8.0249 119.6942 55.4352 18.0453 179.2442 63 L 4.3314 7.3395 115.4442 58.3983 41.9312 179.4928 64 R 2.0000 7.8031 118.0534 59.1191 29.7415 178.6196 65 Y 4.0394 7.6997 115.9572 61.6980 37.9813 178.1833 66 Y 4.3652 7.5525 117.6296 61.5157 37.6927 178.3283 67 Y 4.5532 8.1636 118.5691 60.6859 38.4847 178.6375 68 V 3.8674 8.4672 119.2324 64.6212 31.9063 177.9758 69 K 4.1779 8.1541 116.0785 56.0683 32.0056 175.9514 70 N 4.2468 7.5736 116.4187 55.3131 38.0336 174.1760 71 I 4.2679 7.8370 117.9963 61.9678 40.8760 177.4856 72 I 4.7646 7.4799 122.1139 60.4551 40.9688 174.7895 73 K 3.9094 8.7873 127.1772 54.5820 35.2526 174.7614 74 K 4.8390 7.7222 121.5893 54.7455 34.3427 175.4249 75 V 3.9361 7.9710 127.7785 61.8045 32.1458 175.2725 76 N 4.1031 8.8516 126.7048 55.4381 39.6593 172.5896 77 G 3.8313 8.8086 119.5490 44.8520 0.0000 174.3698 78 Q 3.9551 7.4626 118.1505 55.4608 26.6582 176.4396 79 K 3.7255 8.1385 117.8885 58.2355 32.8551 177.6957 80 F 3.5908 8.6331 123.1523 57.9059 36.0732 174.6906 81 V 4.9575 7.5817 121.1116 59.5538 33.9007 177.9914 82 Y 5.5623 7.2567 128.0789 57.6943 41.8093 174.6899 83 K 4.7947 8.2854 115.1494 57.2975 36.3329 174.4247 84 F 4.5650 9.3390 122.3988 58.0299 38.9701 175.3409 85 V 3.4055 8.0373 123.9099 65.6020 31.6049 176.2931 86 S 4.6707 8.2029 123.2517 56.9781 64.2111 172.5720 87 Y 5.0112 8.4755 125.7538 55.2136 41.2940 173.2622 88 P 2.9700 0.0000 0.0000 61.8575 31.8596 176.1114 89 E 4.0766 8.2695 120.9507 60.1211 29.3317 180.6498 90 I 4.4353 7.2664 109.8806 61.0122 37.1542 177.2650 91 L 4.4655 8.8043 122.2401 58.0870 42.5816 178.5750 92 N 4.2504 8.0186 112.3147 54.0331 35.9218 174.5817 93 M 4.3124 7.7503 109.8559 55.9488 33.3531 174.4935 *137 S 4.4047 8.2565 109.2711 57.2204 64.2354 174.4020 138 R 4.1405 8.0117 119.8755 59.7079 29.9724 177.6510 139 N 4.6336 8.0123 114.2286 53.4750 39.0698 176.8884 140 D 4.3900 8.3165 120.7679 57.5647 41.5505 177.8258 141 Y 4.2157 8.4277 115.5359 60.1373 37.8203 177.5777 142 I 3.2831 5.8149 120.2574 63.4378 37.6172 176.4297 143 H 4.9632 7.5278 117.2917 55.4070 28.1256 174.6283 144 S 4.6109 7.5568 109.7199 56.9072 64.4389 174.3640 145 G 4.0639 8.3411 108.0831 46.8925 0.0000 174.7812 146 L 4.6799 7.9556 117.5341 54.7489 45.2346 176.8491 147 Y 4.5831 7.3909 118.1404 57.4178 39.4075 174.6349 148 S 4.0028 6.5498 112.7610 57.5647 65.0138 175.4619 149 S 4.6518 7.7273 122.0852 56.5434 66.4042 173.8290 150 F 4.6765 7.3534 116.6731 57.3740 40.8531 173.3410 151 T 4.8079 9.0876 109.8383 59.8060 72.0654 174.3336 152 L 4.2677 8.6695 122.5334 58.2900 42.0975 179.2797 153 N 4.3052 8.4629 114.5824 56.4661 38.7672 176.5873 154 S 4.2211 8.2279 111.9552 60.5795 62.9658 175.3015 155 L 4.2293 7.9553 120.6125 54.3576 41.1097 176.6427 156 N 4.4911 7.8151 122.2870 53.9444 39.2530 174.0859 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.46 4.67 0.00 2.71 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 3 S 8.59 3.84 0.00 3.70 3.57 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 0.00 0.00 0.00 4 A 9.52 3.85 1.44 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 0.00 0.00 5 I 7.77 4.00 1.87 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 1.47 0.73 0.91 0.00 0.00 6 T 8.17 5.01 4.66 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 1.50 0.00 0.00 7 L 9.32 2.92 0.00 1.86 1.94 -0.39 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 W 8.86 4.05 0.00 2.96 2.36 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 9 Q 6.43 3.09 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 10 F 8.10 4.22 0.00 2.61 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 11 L 7.86 4.39 0.00 1.79 1.76 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.46 4.47 0.00 1.69 1.62 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.44 4.31 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 14 L 7.51 4.27 0.00 1.70 1.54 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.66 4.67 0.00 1.32 1.21 -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.98 4.76 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.46 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 17 K 7.85 4.64 0.00 1.96 1.64 0.00 1.57 0.00 0.00 1.99 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 18 P 0.00 4.35 0.00 2.23 2.33 0.00 3.74 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 2.08 2.01 0.00 19 Q 6.86 3.64 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.46 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 20 N 7.80 4.99 0.00 2.76 2.70 0.00 0.00 6.97 7.13 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 21 K 8.58 4.53 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.40 7.81 22 H 8.31 4.52 0.00 3.36 3.38 0.00 5.51 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 23 M 7.66 4.29 0.00 1.88 2.32 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 24 I 7.66 4.96 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.25 0.94 0.00 0.00 25 C 8.81 4.65 0.00 3.05 2.96 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 26 W 8.59 4.64 0.00 3.25 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 27 T 9.06 4.14 4.37 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 1.27 0.00 0.00 28 S 8.95 3.88 0.00 4.10 4.08 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 29 N 8.29 4.83 0.00 2.77 2.92 0.00 0.00 5.74 8.07 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 30 D 8.09 4.75 0.00 2.87 2.87 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 31 G 7.97 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 0.00 0.00 0.00 32 Q 7.74 4.51 0.00 2.38 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 33 F 9.10 5.01 0.00 3.09 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 34 K 9.30 4.75 0.00 1.68 1.54 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.22 1.42 7.81 35 L 9.69 4.88 0.00 1.68 1.64 1.35 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.29 3.59 0.00 1.57 1.52 0.88 0.43 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 7.42 4.17 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 38 A 7.26 4.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.04 0.00 2.02 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 0.00 2.46 2.42 0.00 40 E 7.96 4.09 0.00 2.14 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 2.31 2.38 0.00 41 V 8.19 3.60 2.27 0.00 0.00 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 1.00 0.00 0.00 42 A 8.22 4.32 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.79 4.04 0.00 2.21 2.29 0.00 3.19 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 44 L 8.34 4.18 0.00 2.07 1.96 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 45 W 8.98 4.86 0.00 3.46 3.25 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 46 G 9.21 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 0.00 0.00 0.00 47 I 7.18 3.68 1.87 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 1.41 0.73 0.91 0.00 0.00 48 R 7.67 4.10 0.00 1.66 1.82 0.00 3.44 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 49 K 7.56 3.36 0.00 1.20 1.48 0.00 1.67 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 1.12 7.81 50 N 6.58 3.80 0.00 2.68 3.04 0.00 0.00 7.05 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 51 K 7.84 4.45 0.00 1.40 1.56 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.19 7.81 52 P 0.00 4.41 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 53 N 7.71 4.91 0.00 2.66 2.82 0.00 0.00 6.94 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 54 M 8.00 4.33 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.78 0.00 55 N 8.14 4.35 0.00 3.20 2.96 0.00 0.00 5.54 7.57 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 56 Y 8.19 4.21 0.00 3.36 3.25 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 57 D 8.39 3.90 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.06 4.41 0.00 2.15 1.79 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.64 7.81 59 L 9.12 4.05 0.00 1.93 1.93 1.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.48 3.70 0.00 2.72 3.48 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 61 R 7.79 3.50 0.00 1.80 1.87 0.00 2.84 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 62 A 8.02 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.34 4.33 0.00 1.53 1.57 0.57 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.80 2.00 0.00 1.33 1.24 0.00 2.75 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.47 0.00 65 Y 7.70 4.04 0.00 2.99 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 66 Y 7.55 4.37 0.00 3.32 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 67 Y 8.16 4.55 0.00 2.90 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 68 V 8.47 3.87 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 0.90 0.00 0.00 0.98 0.00 0.00 69 K 8.15 4.18 0.00 1.88 1.93 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 70 N 7.57 4.25 0.00 2.83 2.79 0.00 0.00 6.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.84 4.27 1.52 0.00 0.00 0.51 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 1.08 0.04 0.00 0.00 72 I 7.48 4.76 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.31 1.01 0.00 0.00 73 K 8.79 3.91 0.00 1.63 1.60 0.00 1.46 0.00 0.00 1.04 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.45 7.81 74 K 7.72 4.84 0.00 1.85 1.60 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.47 1.48 7.81 75 V 7.97 3.94 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 0.77 0.00 0.00 0.97 0.00 0.00 76 N 8.85 4.10 0.00 2.70 2.75 0.00 0.00 7.41 7.98 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 77 G 8.81 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 78 Q 7.46 3.96 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 79 K 8.14 3.73 0.00 1.81 1.55 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.50 7.81 80 F 8.63 3.59 0.00 3.12 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 81 V 7.58 4.96 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 0.91 0.00 0.00 0.93 0.00 0.00 82 Y 7.26 5.56 0.00 3.54 3.29 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 83 K 8.29 4.79 0.00 1.95 2.05 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.39 7.81 84 F 9.34 4.57 0.00 2.82 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 85 V 8.04 3.41 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 0.75 0.00 0.00 0.95 0.00 0.00 86 S 8.20 4.67 0.00 3.93 3.80 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 0.00 0.00 0.00 87 Y 8.48 5.01 0.00 2.88 3.07 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 88 P 0.00 2.97 0.00 1.43 0.75 0.00 3.68 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 89 E 8.27 4.08 0.00 2.11 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 2.40 2.37 0.00 90 I 7.27 4.44 2.28 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.94 0.00 0.00 91 L 8.80 4.47 0.00 1.65 1.78 0.72 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.02 4.25 0.00 2.93 2.93 0.00 0.00 6.65 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 93 M 7.75 4.31 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 *137 S 8.26 4.40 0.00 3.90 3.89 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 0.00 138 R 8.01 4.14 0.00 1.92 2.02 0.00 3.34 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 139 N 8.01 4.63 0.00 2.70 2.55 0.00 0.00 6.74 8.08 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 0.00 140 D 8.32 4.39 0.00 2.98 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 0.00 141 Y 8.43 4.22 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 5.81 3.28 1.31 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 0.33 -0.36 0.66 0.00 0.00 143 H 7.53 4.96 0.00 3.12 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.56 4.61 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.34 4.06 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 0.00 0.00 0.00 146 L 7.96 4.68 0.00 1.68 1.73 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 7.39 4.58 0.00 3.06 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 0.00 148 S 6.55 4.00 0.00 3.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.73 4.65 0.00 3.90 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 0.00 150 F 7.35 4.68 0.00 3.01 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 0.00 151 T 9.09 4.81 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 1.28 0.00 0.00 152 L 8.67 4.27 0.00 1.77 1.79 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.46 4.31 0.00 2.74 2.91 0.00 0.00 6.89 7.57 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 0.00 154 S 8.23 4.22 0.00 3.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.96 4.23 0.00 1.79 1.71 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 156 N 7.82 4.49 0.00 2.82 2.74 0.00 0.00 6.70 6.85 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 * Residues marked with a * may have inaccurate shift predictions.