NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 3.9746 8.3649 120.1627 53.9657 42.6385 175.2945 6 F 4.8620 7.0786 122.2872 56.1923 40.8206 172.9612 7 S 4.9045 8.7957 117.9451 56.8889 67.3074 173.0325 8 K 4.3380 8.3405 121.4789 56.4610 32.3909 177.2650 9 D 4.6619 8.8242 122.6893 56.3874 40.8437 177.3890 10 I 4.5001 7.6073 109.6958 60.5556 39.6113 176.3858 11 R 4.0224 7.6670 121.0238 59.3059 29.9804 176.1225 12 D 4.5947 7.1531 112.1648 54.3336 42.6597 175.4097 13 Y 4.6919 8.2027 116.3220 55.9318 40.5759 176.3427 14 S 4.5559 9.3163 120.4522 57.4017 64.4543 175.7283 15 G 3.7257 8.5870 107.9885 47.4557 0.0000 175.5022 16 L 4.1608 7.7126 122.1935 57.6279 42.0113 178.6143 17 E 4.1645 8.1918 118.9460 59.0952 29.1772 179.1405 18 L 3.8858 7.9371 118.3545 57.8529 41.9012 179.1565 19 A 3.9509 7.9815 120.5019 55.0395 18.3028 179.5965 20 F 4.3109 7.8731 118.4606 61.3885 39.5292 177.2706 21 L 3.8724 7.8006 119.8843 58.0652 41.8812 178.8190 22 G 4.2764 8.9842 107.9926 47.1961 0.0000 174.8586 23 D 4.9442 8.4052 121.1505 56.7597 41.2719 178.3630 24 A 3.9278 7.3942 119.8943 55.1651 18.3983 179.7017 25 I 3.5469 7.6282 118.4102 64.0026 37.1122 178.4956 26 W 4.0520 8.6024 129.5880 60.5168 30.6475 177.5471 27 E 3.9740 8.4441 118.6009 59.5459 28.9116 178.8036 28 L 3.8585 7.7793 119.9329 58.6379 42.0959 178.9669 29 E 3.8665 7.9393 117.6256 59.4631 29.5224 179.5795 30 I 3.5945 7.5633 119.6353 64.4799 37.0993 178.7501 31 R 4.0910 8.5685 119.2198 59.0509 29.6204 179.0326 32 K 3.8633 8.0052 117.6045 59.9245 32.2247 178.2567 33 Y 4.1187 7.6751 117.9564 60.8338 38.9170 177.2823 34 Y 4.6382 8.0338 116.2787 59.5168 37.9396 176.3775 35 L 4.6441 7.8633 121.0340 55.0164 42.2723 176.5845 36 Q 4.3315 7.3251 112.4190 55.3461 29.3139 175.9639 37 F 4.0997 7.6280 117.0504 57.9611 39.7195 176.7436 38 G 3.9346 8.1397 106.7678 45.0724 0.0000 172.9415 39 Y 4.4144 7.1975 116.8850 58.0394 38.6146 175.8928 40 N 4.8588 8.4246 118.9421 51.6907 40.4761 175.7470 41 I 3.6786 8.3100 121.7842 64.3278 37.1775 176.2834 42 P 4.2285 0.0000 0.0000 66.5738 30.8330 178.3815 43 T 3.7702 8.3688 115.7647 65.8735 68.3973 176.1148 44 L 3.8375 8.4016 122.5608 58.5846 41.9680 178.7226 45 N 4.2935 8.5425 116.3852 56.2542 38.1720 177.1785 46 K 3.8162 7.8935 120.7733 59.9528 32.0570 178.4977 47 Y 3.5652 7.8301 115.5871 60.4304 37.9358 178.3627 48 V 3.7785 7.6089 119.3696 66.1027 31.5493 178.3077 49 K 3.9991 8.2848 118.0670 59.3310 31.5536 179.1711 50 A 3.9948 7.4970 120.2517 54.2060 18.2853 178.8645 51 K 3.8817 7.6057 113.7244 55.8484 32.6686 177.2908 52 V 4.6404 7.3392 118.2963 61.5302 32.7847 176.3215 53 N 4.7399 7.9448 119.0825 52.0288 39.8492 175.4451 54 A 3.8714 8.4980 123.0736 55.4129 18.1941 180.0670 55 K 3.8780 8.1156 115.2436 59.8202 32.3791 178.5273 56 Y 4.0007 8.7222 119.7814 60.9687 38.9020 177.5474 57 Q 3.8158 8.1898 118.9972 59.2634 28.7423 179.3694 58 S 4.1076 8.1240 113.9014 61.2994 62.1536 176.2850 59 L 3.9483 7.6822 121.0419 57.6472 41.5347 179.1167 60 I 3.7156 7.3455 119.2573 64.4834 37.0650 177.1713 61 Y 3.9893 8.3743 120.3941 61.1356 38.4019 178.8808 62 K 4.0236 8.1209 117.1759 58.7656 32.1932 178.6590 63 K 4.2593 7.9264 117.4388 57.0185 32.3162 177.6934 64 I 4.2291 6.7645 112.3152 62.7605 39.0904 178.1788 65 I 3.3770 7.5033 120.7914 63.6395 38.0127 176.7233 66 N 4.5604 7.9239 114.4954 54.9439 38.6474 175.1566 67 D 4.8431 8.8183 117.4281 53.7469 41.9524 176.4532 68 L 4.3473 7.2877 118.5741 53.8911 42.6329 177.1747 69 D 4.5941 8.8645 121.5736 54.5331 42.7887 177.7429 70 E 3.9018 8.7700 121.0851 60.0822 29.5111 179.2531 71 E 3.7606 8.1076 118.2642 59.5870 29.3461 178.8559 72 F 4.5815 7.6284 116.8094 60.2468 39.2790 177.6742 73 K 4.0046 8.1906 118.2285 59.5385 31.7887 179.3903 74 V 3.5880 7.7947 118.1871 66.1088 31.5891 177.9357 75 I 3.8376 7.4881 118.1826 64.4462 36.7949 178.4952 76 G 3.8422 8.4005 105.3661 47.8050 0.0000 175.2173 77 K 4.1571 8.2956 122.6892 59.2521 32.1097 179.0759 78 R 3.9761 8.0304 114.7360 59.2368 29.2408 178.2589 79 A 4.1334 7.8094 120.7898 54.6154 18.3778 179.5467 80 K 4.0764 7.7487 116.7481 58.1698 32.3168 177.0807 81 N 4.5537 7.5422 116.8762 51.4675 37.7988 174.6554 *84 I 3.8864 8.1599 123.1645 59.0256 39.7470 175.7337 85 K 3.7895 8.1078 118.0415 57.4580 30.5839 175.3293 86 T 4.3828 6.9575 111.7687 59.9384 68.7123 171.1130 87 F 3.8641 8.3852 120.3695 56.6731 39.2929 174.0467 88 P 4.2404 0.0000 0.0000 62.9779 31.0689 175.7611 89 R 4.2249 7.8674 117.5292 58.7014 30.7602 178.0905 90 S 4.3979 7.8650 115.9351 60.1828 63.6634 173.4381 91 C 4.8372 7.6523 113.7046 57.0105 32.3152 172.7336 92 T 4.5688 7.7323 108.2542 60.0878 70.5880 175.6366 93 V 3.7204 8.2488 116.8596 64.1885 31.5345 177.1614 *95 E 4.2139 8.2587 119.5292 56.1911 31.5262 177.5470 96 Y 3.8287 8.3650 119.3186 60.4706 38.8111 178.1406 97 K 3.8774 8.2804 119.4379 59.7484 32.2740 179.2831 98 E 3.5098 7.9763 117.5879 58.8109 29.2307 179.1803 99 A 3.7761 7.6439 121.2111 55.1160 18.3016 179.7989 100 T 3.6983 7.5298 114.1578 66.4172 68.5299 177.0360 101 A 3.8995 8.1791 123.1563 54.8955 18.2877 179.4833 102 L 3.9415 7.7751 118.7902 58.4640 42.3431 179.0974 103 E 3.9102 7.9791 117.6503 58.4843 29.2207 179.2278 104 A 4.0798 7.9829 121.6889 55.0157 18.3545 179.6677 105 I 3.7095 7.6843 117.1380 64.5970 37.2943 178.3131 106 I 3.9463 7.6758 119.3837 64.4841 37.1969 178.3000 107 G 3.8079 8.1326 105.6680 47.6132 0.0000 175.7412 108 A 4.3709 7.9851 121.3247 52.5218 18.2624 178.8358 *110 Y 4.4295 7.8622 121.7107 59.1598 40.5594 177.0508 111 L 4.1182 7.8584 118.8897 57.4837 42.1746 178.0716 112 L 4.6029 8.0932 117.9108 54.5544 41.8574 176.8987 113 K 3.8700 8.1740 115.0193 57.1532 30.6157 175.9088 114 K 4.4979 7.5764 116.8443 56.6648 32.4543 178.4089 115 E 4.0443 8.1097 119.8074 58.7348 29.7650 177.7921 116 E 4.0576 8.0679 119.1084 58.5277 30.0128 177.8694 117 E 4.1452 8.4053 119.0645 58.8803 29.4260 179.1463 118 I 3.8413 7.5202 119.8395 64.1770 37.2665 178.0468 119 K 3.8550 7.7852 120.2340 59.3255 31.7111 178.7643 120 K 3.9414 7.4638 118.3160 59.3105 32.4477 178.6630 121 I 3.9572 7.4214 119.2599 64.3570 37.1121 178.4308 122 I 3.6075 8.0746 120.9255 64.2606 36.8823 178.2041 123 N 4.3628 8.3550 117.6350 55.4136 37.9033 176.5055 124 I 4.1418 7.5344 112.4498 61.4179 38.4810 177.8014 125 V 3.7775 7.6108 121.5503 64.8268 31.8786 176.5739 126 I 4.0575 7.2647 111.8539 61.0962 38.6726 177.7486 127 K 3.9753 8.0508 121.4671 59.6722 32.5614 178.5533 128 G 4.0335 7.5966 105.8258 45.5101 0.0000 173.4032 129 E 4.6420 8.0129 119.5176 55.8226 31.0232 175.8408 130 L 4.3557 7.7409 123.0386 55.6301 42.9175 175.7146 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 5 D 8.36 3.97 0.00 2.48 2.52 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 6 F 7.08 4.86 0.00 3.33 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 7 S 8.80 4.90 0.00 3.80 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 8 K 8.34 4.34 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.65 7.81 9 D 8.82 4.66 0.00 2.75 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 10 I 7.61 4.50 1.91 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 1.34 0.71 0.94 0.00 0.00 11 R 7.67 4.02 0.00 1.87 2.27 0.00 3.38 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 12 D 7.15 4.59 0.00 2.55 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 13 Y 8.20 4.69 0.00 3.07 2.80 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 14 S 9.32 4.56 0.00 4.03 4.02 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 0.00 0.00 0.00 15 G 8.59 3.73 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 0.00 0.00 0.00 16 L 7.71 4.16 0.00 1.79 1.67 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.19 4.16 0.00 2.45 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 0.00 2.40 2.39 0.00 18 L 7.94 3.89 0.00 1.69 1.81 0.94 0.51 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 19 A 7.98 3.95 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 20 F 7.87 4.31 0.00 3.25 3.31 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 21 L 7.80 3.87 0.00 1.69 1.73 0.64 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.98 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 0.00 0.00 0.00 0.00 23 D 8.41 4.94 0.00 3.13 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 24 A 7.39 3.93 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 25 I 7.63 3.55 2.00 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 0.80 0.99 0.89 0.00 0.00 26 W 8.60 4.05 0.00 3.50 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 27 E 8.44 3.97 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 2.44 2.53 0.00 28 L 7.78 3.86 0.00 1.83 1.84 0.91 1.05 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 29 E 7.94 3.87 0.00 1.88 1.74 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 2.44 2.41 0.00 30 I 7.56 3.59 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.09 1.11 0.00 0.00 31 R 8.57 4.09 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 32 K 8.01 3.86 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.69 7.81 33 Y 7.68 4.12 0.00 2.78 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 34 Y 8.03 4.64 0.00 3.23 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 35 L 7.86 4.64 0.00 1.89 1.72 0.94 0.78 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 36 Q 7.33 4.33 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.63 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 37 F 7.63 4.10 0.00 2.20 2.22 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 38 G 8.14 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 7.20 4.41 0.00 2.93 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 40 N 8.42 4.86 0.00 3.01 2.97 0.00 0.00 5.89 7.68 0.00 0.00 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 I 8.31 3.68 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 1.71 0.82 1.01 0.00 0.00 42 P 0.00 4.23 0.00 2.25 2.33 0.00 3.60 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 2.44 2.09 0.00 43 T 8.37 3.77 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 0.79 0.00 0.00 44 L 8.40 3.84 0.00 1.83 1.97 1.08 0.83 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 45 N 8.54 4.29 0.00 3.01 2.86 0.00 0.00 6.75 7.84 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 46 K 7.89 3.82 0.00 1.90 2.04 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.37 7.81 47 Y 7.83 3.57 0.00 2.28 1.43 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 0.00 0.00 0.00 0.00 48 V 7.61 3.78 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 1.11 0.00 0.00 1.07 0.00 0.00 49 K 8.28 4.00 0.00 1.80 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 50 A 7.50 3.99 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 51 K 7.61 3.88 0.00 1.72 1.26 0.00 1.00 0.00 0.00 1.31 0.00 0.00 3.31 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.58 7.81 52 V 7.34 4.64 2.46 0.00 0.00 0.00 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 1.17 0.00 0.00 53 N 7.94 4.74 0.00 3.07 3.03 0.00 0.00 6.11 7.46 0.00 0.00 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 A 8.50 3.87 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 55 K 8.12 3.88 0.00 2.00 1.95 0.00 2.01 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.55 7.81 56 Y 8.72 4.00 0.00 3.08 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 57 Q 8.19 3.82 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 58 S 8.12 4.11 0.00 4.06 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 59 L 7.68 3.95 0.00 1.39 1.49 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.35 3.72 1.99 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 1.50 1.15 0.97 0.00 0.00 61 Y 8.37 3.99 0.00 2.84 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 62 K 8.12 4.02 0.00 1.80 1.88 0.00 2.16 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.79 7.81 63 K 7.93 4.26 0.00 1.80 1.81 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.58 7.81 64 I 6.76 4.23 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 0.93 0.00 0.00 65 I 7.50 3.38 0.70 0.00 0.00 0.68 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 0.98 0.66 0.00 0.00 66 N 7.92 4.56 0.00 2.71 2.82 0.00 0.00 6.75 8.06 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 67 D 8.82 4.84 0.00 2.44 2.66 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 68 L 7.29 4.35 0.00 1.69 1.74 0.88 0.91 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 69 D 8.86 4.59 0.00 2.80 2.60 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 70 E 8.77 3.90 0.00 1.93 1.98 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 2.40 2.32 0.00 71 E 8.11 3.76 0.00 1.77 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 1.76 2.19 0.00 72 F 7.63 4.58 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 73 K 8.19 4.00 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.63 1.88 7.81 74 V 7.79 3.59 2.24 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 1.05 0.00 0.00 1.01 0.00 0.00 75 I 7.49 3.84 2.16 0.00 0.00 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 1.51 1.05 0.99 0.00 0.00 76 G 8.40 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 0.00 0.00 0.00 77 K 8.30 4.16 0.00 2.02 1.99 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 78 R 8.03 3.98 0.00 2.02 2.08 0.00 3.15 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 79 A 7.81 4.13 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 80 K 7.75 4.08 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 1.53 7.81 81 N 7.54 4.55 0.00 2.81 2.82 0.00 0.00 5.91 7.81 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 *84 I 8.16 3.89 1.82 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 1.14 1.07 0.73 0.00 0.00 85 K 8.11 3.79 0.00 1.79 1.74 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.45 7.81 86 T 6.96 4.38 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 1.07 0.00 0.00 87 F 8.39 3.86 0.00 3.02 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 88 P 0.00 4.24 0.00 2.33 1.89 0.00 3.84 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 2.19 2.16 0.00 89 R 7.87 4.22 0.00 1.84 1.95 0.00 3.29 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 90 S 7.87 4.40 0.00 3.91 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 91 C 7.65 4.84 0.00 3.28 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 92 T 7.73 4.57 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 1.25 0.00 0.00 93 V 8.25 3.72 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 0.97 0.00 0.00 0.79 0.00 0.00 *95 E 8.26 4.21 0.00 2.27 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 2.30 2.32 0.00 96 Y 8.37 3.83 0.00 3.12 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 97 K 8.28 3.88 0.00 1.77 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.60 7.81 98 E 7.98 3.51 0.00 1.79 1.60 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 1.75 2.09 0.00 99 A 7.64 3.78 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 0.00 100 T 7.53 3.70 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 1.16 0.00 0.00 101 A 8.18 3.90 1.07 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 0.00 102 L 7.78 3.94 0.00 1.81 1.67 0.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.98 3.91 0.00 1.96 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 2.04 2.37 0.00 104 A 7.98 4.08 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 0.00 105 I 7.68 3.71 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.72 0.00 0.00 106 I 7.68 3.95 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 1.05 0.00 0.00 107 G 8.13 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 0.00 108 A 7.99 4.37 1.53 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 0.00 0.00 *110 Y 7.86 4.43 0.00 3.18 3.13 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 0.00 111 L 7.86 4.12 0.00 1.77 1.80 0.31 1.27 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 0.00 112 L 8.09 4.60 0.00 1.86 1.74 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.17 3.87 0.00 1.80 1.82 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 114 K 7.58 4.50 0.00 1.92 1.87 0.00 2.02 0.00 0.00 2.07 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.77 7.81 115 E 8.11 4.04 0.00 1.90 1.98 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 2.40 2.19 0.00 116 E 8.07 4.06 0.00 2.07 1.94 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 2.37 2.45 0.00 117 E 8.41 4.15 0.00 2.08 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 2.35 2.56 0.00 118 I 7.52 3.84 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 0.97 0.00 0.00 119 K 7.79 3.86 0.00 1.80 1.93 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 120 K 7.46 3.94 0.00 1.88 1.80 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 121 I 7.42 3.96 2.11 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 1.14 0.00 0.00 122 I 8.07 3.61 1.87 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.69 0.64 0.00 0.00 123 N 8.36 4.36 0.00 2.95 2.83 0.00 0.00 6.65 7.18 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 0.00 124 I 7.53 4.14 1.88 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 1.22 1.08 0.96 0.00 0.00 125 V 7.61 3.78 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 0.84 0.00 0.00 1.19 0.00 0.00 126 I 7.26 4.06 0.84 0.00 0.00 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 1.31 0.50 -0.11 0.00 0.00 127 K 8.05 3.98 0.00 1.99 2.40 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.40 7.81 128 G 7.60 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 0.00 0.00 0.00 129 E 8.01 4.64 0.00 2.17 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 0.00 2.48 2.48 0.00 130 L 7.74 4.36 0.00 1.65 1.54 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.