NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2212 8.3149 120.1297 56.1844 33.5641 175.2651 3 N 4.6317 8.3724 119.3805 52.1762 40.6797 168.4593 4 V 4.7929 9.8773 122.1828 61.3526 34.4666 174.1418 5 L 4.9530 8.9850 128.6322 54.0325 43.3995 175.6486 6 I 4.7770 9.0533 124.9950 59.7544 39.7588 174.5459 7 I 4.9317 8.6601 129.3468 59.7755 39.1663 174.8220 8 F 5.2401 8.8910 126.7988 55.1852 41.1887 175.5196 9 G 4.2425 8.1490 108.5463 45.5966 0.0000 172.2419 10 K 4.8730 8.8294 120.0618 55.5585 32.4007 176.1158 11 P 4.1434 0.0000 0.0000 63.5471 32.1485 175.2262 12 Y 4.1869 8.0254 113.4481 58.4605 35.4341 169.8984 13 C 4.8817 7.3209 109.1191 55.4581 33.3598 174.9446 14 S 4.0997 8.7499 117.8854 62.0430 62.3785 177.1964 15 I 3.6138 7.3715 121.6616 64.6058 36.9553 177.8835 16 C 4.1400 7.8879 118.8888 62.4210 31.3099 175.2284 17 E 3.9291 8.1701 120.2133 59.6666 29.0881 179.1889 18 N 4.3905 8.6500 116.7881 56.0640 38.4474 177.7800 19 V 3.5663 7.9630 119.6926 66.2006 31.7132 178.0580 20 S 4.1562 8.4251 115.3097 61.8383 62.4605 176.4279 21 D 4.3708 8.1136 120.0984 57.4840 41.0449 178.5375 22 A 4.3080 7.9669 121.0088 55.3413 18.4235 179.9237 23 V 3.6582 8.1723 116.6866 65.8442 31.5611 178.0466 24 E 4.0983 8.3229 118.5750 59.1232 29.0446 178.4587 25 E 4.2922 8.0154 116.5307 57.7334 29.6785 177.8685 26 L 4.7465 7.5786 119.4274 54.2617 42.0560 178.2934 27 K 4.3599 8.2085 120.5680 59.0506 32.5558 178.1905 28 S 4.3249 8.0501 112.5209 59.4202 63.5606 174.0067 29 E 4.2783 8.1776 121.2381 56.8143 30.8193 175.3068 30 Y 5.1112 7.4611 114.3946 55.9023 42.2371 175.1223 31 D 4.6508 8.8831 122.5429 54.5444 42.3781 175.3838 32 I 5.0891 8.2909 121.4514 59.6225 40.4646 174.8850 33 L 4.8750 8.9063 125.2830 53.2180 46.0953 175.0012 34 H 5.1002 8.7465 118.6659 54.0100 31.1795 173.5063 35 V 4.0173 8.0786 123.9245 61.1422 33.0009 174.3162 36 D 4.9238 8.5376 128.2333 53.9183 41.9034 175.9391 37 I 4.2381 8.5799 125.0081 60.4280 37.4892 175.8348 38 L 4.5195 8.4880 126.4123 54.7409 42.8390 176.7278 39 S 4.4988 7.0954 112.7232 56.9144 65.2161 172.9530 40 F 4.9701 8.6866 125.5423 55.6524 42.1786 174.3250 41 F 4.7624 8.7036 125.3041 56.4770 41.7395 173.6667 42 L 4.0774 8.2588 130.5782 54.0887 42.0350 176.5075 43 K 3.8894 8.3316 125.0200 56.3656 33.3940 176.5954 44 D 4.4258 9.0079 123.0365 57.6668 41.5594 178.7272 45 G 3.7386 8.0222 105.4982 47.9763 0.0000 175.3411 46 D 4.4673 7.9685 119.7233 56.8130 40.9851 178.0591 47 S 4.4084 7.6738 112.7409 59.3984 62.7834 174.2661 48 S 4.7074 7.5266 117.3660 58.8307 64.5743 175.3061 *55 R 4.3825 8.2121 121.8605 55.7098 30.7931 178.6433 56 G 4.2531 8.7207 113.5452 43.6602 0.0000 173.4270 57 T 4.0352 8.4829 109.8770 62.7083 68.5190 175.7194 58 L 4.1897 8.0473 123.6282 59.6651 39.9030 179.1972 59 I 4.0125 8.0276 120.3919 63.6232 36.9994 178.5628 60 G 3.5835 8.4849 107.3462 48.0296 0.0000 175.4720 61 N 4.3740 8.2177 119.3185 55.6790 38.5429 176.9889 62 F 4.0329 8.2702 121.7591 61.4621 39.3496 176.9805 63 A 3.9872 8.3974 119.1477 55.0573 18.3510 179.2433 64 A 3.9488 7.9728 119.2623 55.6885 18.6634 179.3906 65 H 4.0698 8.4492 116.9729 59.2013 29.8479 177.2190 66 L 4.0537 7.6981 120.6291 56.7777 41.1680 179.0303 67 S 3.9242 7.6670 114.8205 61.4040 62.2064 176.0351 68 N 4.2745 7.6064 117.7596 54.7431 38.1410 175.1289 69 Y 4.1450 7.5734 117.0655 57.2837 38.6242 175.3592 70 I 4.1554 7.4199 122.6154 60.8772 37.4043 175.9974 71 V 4.9115 8.2510 124.7696 60.6053 34.2817 174.2605 72 S 4.7836 9.3220 120.2895 56.6483 67.4738 172.8796 73 I 5.0717 8.1088 123.3576 59.6023 40.1906 174.5773 74 F 5.1921 9.4617 125.2278 55.4289 42.8116 174.3048 75 K 5.0086 9.0793 122.2932 55.0434 34.0947 174.4940 76 Y 5.0154 9.7653 130.4378 55.9295 41.5248 173.8115 77 N 5.0746 8.2462 125.9586 50.5620 39.4546 173.6781 78 P 4.2903 0.0000 0.0000 64.9240 32.0070 178.3956 79 Q 4.1104 7.9978 116.7608 58.6207 29.0174 177.3451 80 T 3.8933 8.1377 106.3992 62.1048 69.1557 174.6937 81 K 3.8018 7.8929 120.0457 57.5197 30.0013 174.9229 82 Q 4.6721 6.8154 118.2938 53.9313 32.4856 174.3488 *84 A 4.8004 8.3106 119.5975 52.7143 20.3651 176.3544 85 F 4.4688 9.2794 120.6582 56.2023 39.7177 175.8075 86 V 3.6974 7.9410 125.1000 62.6396 32.0883 176.1612 87 D 4.6235 8.7269 128.4146 53.1141 39.9220 175.4270 88 I 4.7715 7.6496 116.4914 60.1950 39.0741 178.1641 89 N 4.1557 7.7453 120.1470 56.5697 38.4413 177.4295 90 K 3.9105 7.9623 115.4924 58.8349 32.4593 177.8455 91 S 4.4252 8.0418 112.2845 58.4966 63.6543 173.4598 92 L 4.9266 7.5709 121.8988 53.1913 43.3523 176.0970 93 D 4.4657 8.3935 121.3731 52.2767 41.7708 175.7622 94 F 4.9188 8.3001 123.5531 59.1796 39.1242 176.5204 95 T 4.2436 8.3233 110.3366 62.3081 68.9444 174.5148 96 K 4.7379 7.8589 122.1139 55.2111 34.4891 176.4404 97 T 4.7606 7.7939 110.9853 57.9472 69.5828 173.4607 98 D 4.5401 7.0871 135.0000 54.6359 43.4595 180.0898 99 K 4.0523 8.5653 114.7778 59.5413 32.0343 179.0209 100 S 4.0827 8.3618 112.8907 60.8495 63.3869 175.2918 101 L 4.3722 7.7911 122.0453 57.3296 42.8642 176.9134 102 V 4.7847 8.4397 118.0700 60.9079 34.1127 174.6931 103 N 4.7224 8.6036 126.6490 51.9896 39.8073 174.9519 104 L 3.9807 8.6707 128.9932 58.4162 42.3003 178.5155 105 E 3.7685 8.2480 117.9593 59.4384 29.3430 179.2842 106 I 3.8150 7.8346 120.0153 63.9616 37.1581 178.1528 107 L 4.0449 7.9909 121.3068 57.8849 41.9077 178.7141 108 K 3.8768 8.8223 120.3693 59.7796 32.1423 178.5204 109 S 4.1454 7.8132 114.7190 61.9970 62.6542 176.8005 110 E 3.9965 8.3598 120.9861 59.5024 28.9352 179.5994 111 I 3.7695 7.7556 119.1369 64.3585 37.2120 178.0628 112 E 4.2410 8.1836 118.6358 58.7502 29.4413 178.6547 113 K 4.3043 7.9789 116.3744 55.9644 32.6422 177.0623 114 A 3.9982 6.9908 122.1545 52.4494 18.6412 177.1317 115 T 4.2677 8.2708 113.6610 60.9155 70.2148 174.3857 116 Y 4.5470 8.3465 121.9929 58.0985 38.8689 174.8313 117 G 4.2621 8.2958 109.8276 44.8483 0.0000 172.4855 118 V 3.9241 8.2603 119.6852 60.9338 32.2516 175.0241 119 W 5.0545 8.2224 127.6900 54.2472 30.5891 174.3504 120 P 4.5047 0.0000 0.0000 63.0715 30.8564 176.1147 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 K 8.31 4.22 0.00 1.77 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.41 7.81 3 N 8.37 4.63 0.00 3.06 3.09 0.00 0.00 6.50 6.79 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 4 V 9.88 4.79 2.30 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 1.05 0.00 0.00 1.07 0.00 0.00 5 L 8.98 4.95 0.00 1.56 1.47 0.54 0.20 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 6 I 9.05 4.78 2.09 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 1.20 0.70 0.84 0.00 0.00 7 I 8.66 4.93 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.95 0.00 0.00 8 F 8.89 5.24 0.00 2.98 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 9 G 8.15 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 0.00 0.00 0.00 0.00 10 K 8.83 4.87 0.00 1.69 1.82 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.80 1.83 7.81 11 P 0.00 4.14 0.00 1.69 2.26 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 12 Y 8.03 4.19 0.00 3.20 3.05 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 13 C 7.32 4.88 0.00 3.00 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 14 S 8.75 4.10 0.00 3.80 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 15 I 7.37 3.61 1.66 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 0.97 0.66 0.81 0.00 0.00 16 C 7.89 4.14 0.00 2.97 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 17 E 8.17 3.93 0.00 2.29 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 2.28 2.32 0.00 18 N 8.65 4.39 0.00 2.80 2.90 0.00 0.00 6.72 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 19 V 7.96 3.57 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 1.15 0.00 0.00 1.04 0.00 0.00 20 S 8.43 4.16 0.00 4.02 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 21 D 8.11 4.37 0.00 2.88 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 22 A 7.97 4.31 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 23 V 8.17 3.66 2.20 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 1.01 0.00 0.00 0.98 0.00 0.00 24 E 8.32 4.10 0.00 2.28 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 2.57 2.52 0.00 25 E 8.02 4.29 0.00 2.16 2.03 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 2.36 2.37 0.00 26 L 7.58 4.75 0.00 1.96 1.87 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.21 4.36 0.00 1.93 2.07 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.36 7.81 28 S 8.05 4.32 0.00 3.99 4.03 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 29 E 8.18 4.28 0.00 1.82 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 0.00 1.47 1.94 0.00 30 Y 7.46 5.11 0.00 2.98 2.86 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 0.00 0.00 0.00 31 D 8.88 4.65 0.00 2.72 2.63 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 32 I 8.29 5.09 1.90 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 1.37 0.67 0.84 0.00 0.00 33 L 8.91 4.87 0.00 1.47 1.41 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.75 5.10 0.00 2.90 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.08 4.02 0.67 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 0.74 0.00 0.00 0.24 0.00 0.00 36 D 8.54 4.92 0.00 2.56 2.55 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 37 I 8.58 4.24 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.52 0.00 0.00 38 L 8.49 4.52 0.00 1.57 1.68 0.91 0.88 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 39 S 7.10 4.50 0.00 3.68 3.56 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 40 F 8.69 4.97 0.00 3.07 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 41 F 8.70 4.76 0.00 2.89 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 42 L 8.26 4.08 0.00 1.53 1.36 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.33 3.89 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.65 7.81 44 D 9.01 4.43 0.00 2.84 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 45 G 8.02 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 46 D 7.97 4.47 0.00 2.75 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 47 S 7.67 4.41 0.00 3.98 3.85 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 48 S 7.53 4.71 0.00 4.11 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 *55 R 8.21 4.38 0.00 1.79 1.33 0.00 3.29 0.00 0.00 3.19 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 56 G 8.72 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 57 T 8.48 4.04 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 58 L 8.05 4.19 0.00 1.95 2.01 0.88 0.70 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 59 I 8.03 4.01 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.93 0.00 0.00 60 G 8.48 3.58 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 0.00 61 N 8.22 4.37 0.00 2.94 2.92 0.00 0.00 6.65 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 62 F 8.27 4.03 0.00 3.31 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 63 A 8.40 3.99 1.38 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 0.00 0.00 64 A 7.97 3.95 1.36 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 0.00 0.00 65 H 8.45 4.07 0.00 3.16 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.70 4.05 0.00 1.71 1.58 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.67 3.92 0.00 2.72 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 68 N 7.61 4.27 0.00 2.24 2.30 0.00 0.00 6.82 6.87 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 69 Y 7.57 4.15 0.00 2.75 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 0.00 0.00 0.00 0.00 70 I 7.42 4.16 1.99 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 1.44 0.89 1.06 0.00 0.00 71 V 8.25 4.91 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 0.87 0.00 0.00 1.06 0.00 0.00 72 S 9.32 4.78 0.00 3.84 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.11 5.07 1.78 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 1.35 1.30 0.85 0.00 0.00 74 F 9.46 5.19 0.00 3.04 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 75 K 9.08 5.01 0.00 1.66 1.66 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.52 1.39 7.81 76 Y 9.77 5.02 0.00 3.01 2.86 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 0.00 0.00 0.00 77 N 8.25 5.07 0.00 2.14 1.98 0.00 0.00 7.09 7.27 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 78 P 0.00 4.29 0.00 2.03 2.15 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 79 Q 8.00 4.11 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 80 T 8.14 3.89 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 1.00 0.00 0.00 81 K 7.89 3.80 0.00 1.83 2.00 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.30 7.81 82 Q 6.82 4.67 0.00 1.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 *84 A 8.31 4.80 1.12 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 85 F 9.28 4.47 0.00 3.03 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 86 V 7.94 3.70 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 0.67 0.00 0.00 0.84 0.00 0.00 87 D 8.73 4.62 0.00 2.66 2.57 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 88 I 7.65 4.77 1.85 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 1.41 1.48 0.87 0.00 0.00 89 N 7.75 4.16 0.00 2.79 2.84 0.00 0.00 6.88 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 90 K 7.96 3.91 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.39 7.81 91 S 8.04 4.43 0.00 4.18 4.21 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 0.00 0.00 0.00 0.00 92 L 7.57 4.93 0.00 1.52 1.01 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.39 4.47 0.00 2.60 2.49 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 0.00 94 F 8.30 4.92 0.00 3.02 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 95 T 8.32 4.24 4.28 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 1.27 0.00 0.00 96 K 7.86 4.74 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.67 7.81 97 T 7.79 4.76 4.27 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 0.00 0.00 0.00 1.26 0.00 0.00 98 D 7.09 4.54 0.00 2.81 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 99 K 8.57 4.05 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.42 7.81 100 S 8.36 4.08 0.00 3.88 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 0.00 101 L 7.79 4.37 0.00 1.99 1.79 1.14 1.14 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 0.00 102 V 8.44 4.78 2.11 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 0.82 0.00 0.00 1.04 0.00 0.00 103 N 8.60 4.72 0.00 2.82 2.67 0.00 0.00 6.56 6.66 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 0.00 104 L 8.67 3.98 0.00 1.76 1.66 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.25 3.77 0.00 2.02 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 2.41 2.35 0.00 106 I 7.83 3.81 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 1.40 0.58 0.92 0.00 0.00 107 L 7.99 4.04 0.00 1.84 1.82 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.82 3.88 0.00 1.93 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.58 7.81 109 S 7.81 4.15 0.00 4.05 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 0.00 110 E 8.36 4.00 0.00 2.11 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 2.31 2.55 0.00 111 I 7.76 3.77 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.58 0.00 0.00 112 E 8.18 4.24 0.00 2.16 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 2.51 2.61 0.00 113 K 7.98 4.30 0.00 1.74 1.85 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.53 7.81 114 A 6.99 4.00 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 0.00 115 T 8.27 4.27 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 1.30 0.00 0.00 116 Y 8.35 4.55 0.00 3.05 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 0.00 117 G 8.30 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 0.00 0.00 0.00 0.00 118 V 8.26 3.92 2.11 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 0.88 0.00 0.00 0.90 0.00 0.00 119 W 8.22 5.05 0.00 3.53 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 0.00 120 P 0.00 4.50 0.00 2.24 2.10 0.00 3.98 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 2.07 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.