NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7537 8.1633 120.2779 55.1990 34.1757 173.9678 2 K 4.8558 8.9664 121.5113 53.6177 36.6627 173.3591 3 K 4.8257 9.9854 126.6136 55.3997 34.4823 174.8483 4 I 4.8206 8.8911 128.7794 59.8615 39.3288 174.2938 5 E 5.1858 9.3615 127.6502 54.5161 31.8881 174.9914 6 A 4.9615 8.9153 126.3593 50.0893 22.4654 174.4683 7 I 4.8484 8.6947 124.3040 59.8671 39.3015 175.1845 8 I 4.8959 9.0497 119.8000 58.6984 41.8988 174.8426 9 R 4.2993 8.3176 121.1260 55.5696 30.5554 176.5593 10 P 4.3177 0.0000 0.0000 65.5346 31.1097 178.9426 11 F 4.4300 8.2076 112.2462 59.4075 38.2917 177.0889 12 K 3.8222 7.1335 118.1061 57.3170 31.6391 178.3684 13 L 3.8598 7.5020 121.7948 58.5284 41.8900 178.5395 14 D 4.3642 8.0849 117.7180 57.6019 40.8085 178.7130 15 E 3.9519 8.0503 118.3912 59.2356 29.5320 179.3226 16 V 3.5164 7.8577 118.3613 65.8656 31.6119 177.8030 17 K 3.8468 8.3211 119.6558 59.7074 31.9591 178.7571 18 I 3.6896 7.9237 119.6422 64.3735 36.8617 178.2599 19 A 3.9907 8.1317 121.6544 55.1094 18.0579 179.7921 20 L 4.0024 7.9335 117.5063 57.8993 41.6858 179.8341 21 V 3.6958 7.8718 118.1865 66.1393 31.2973 177.8174 22 N 4.3489 8.2845 114.6156 55.2803 38.3311 176.1054 23 A 4.6271 7.2963 119.0910 51.3499 19.3581 177.3893 24 G 3.7282 8.1237 106.3593 46.3321 0.0000 174.5515 25 I 4.0908 7.7189 121.3426 59.6182 36.2152 175.7082 26 V 4.1803 9.2447 118.7177 61.2153 32.6407 174.8738 27 G 4.4063 7.8302 122.6975 45.3616 0.0000 169.9000 28 M 4.9260 7.7497 121.8067 54.6637 34.2613 174.0563 29 T 4.6597 8.8609 116.3536 61.7722 72.1294 173.1242 30 V 4.9815 8.5372 125.9765 61.1034 33.9410 174.5963 31 S 4.8260 8.8201 120.9936 56.5233 67.0172 172.6744 32 E 4.5872 8.7036 120.5691 56.2909 30.1521 176.4269 33 V 4.6366 8.5323 115.7715 59.8707 36.6819 174.3935 34 R 5.1426 8.1886 120.0443 55.0306 33.4881 175.0956 35 G 4.4123 9.1771 108.0063 46.0892 0.0000 171.7514 36 F 5.3111 8.2043 114.0424 55.2667 41.2164 174.8551 37 G 4.4403 8.5261 108.2330 44.7109 0.0000 174.6144 38 R 3.9336 8.9909 118.3743 59.6412 30.3948 177.2770 39 Q 4.3295 8.1711 114.1190 55.1010 29.0624 175.8585 40 K 3.0876 9.1305 117.1543 57.4496 29.9728 177.1274 41 G 4.0194 8.4465 103.7545 46.6226 0.0000 174.0272 42 Q 4.2441 7.9139 121.7635 55.3897 28.6967 176.8725 43 T 3.9132 8.5592 116.1193 63.0298 68.3666 170.5587 *51 Y 4.3503 7.4378 118.9769 57.2672 38.2715 179.1949 52 T 4.0830 8.1579 113.5152 62.9330 68.0474 173.6201 53 V 4.3415 7.8470 123.1115 59.6182 34.0220 174.6458 54 E 4.7141 8.3488 122.7417 54.4040 33.2259 174.7358 55 F 5.3082 8.7863 120.6452 56.4030 40.7489 175.2556 56 L 4.9769 9.1552 122.8550 52.7345 45.0141 175.8753 57 Q 4.6290 8.7100 121.0797 56.2440 29.5440 175.5600 58 K 4.8886 9.2440 122.3383 54.7849 37.4612 174.6662 59 L 5.0665 9.0701 120.3673 52.9977 45.1480 175.9373 60 K 4.8469 8.9528 124.6490 54.9504 34.0811 174.7241 61 L 5.1388 9.3285 128.6427 53.3142 44.0219 175.3549 62 E 5.1747 9.4828 123.2163 54.6519 32.8295 175.2882 63 I 4.7110 8.9035 124.8215 59.8619 41.3331 174.1306 64 V 4.7323 8.4714 127.6096 61.6407 32.7575 175.1820 65 V 4.6606 8.5107 119.7825 59.3604 36.8199 174.7270 66 E 4.3541 8.5582 119.7855 56.2826 29.8898 178.3274 67 D 4.3427 8.8750 121.4901 57.7407 40.5458 179.2730 68 A 4.0524 7.9759 119.6492 54.3854 18.7225 178.4736 69 Q 4.2944 8.1748 115.5681 56.3462 29.1466 177.9113 70 V 3.5665 7.4017 120.7259 66.3726 31.5463 177.6032 71 D 4.3408 8.0909 117.8202 57.4618 40.6325 178.8745 72 T 3.8172 7.8109 115.8654 66.6445 68.5726 176.5134 73 V 3.5853 7.8863 120.0970 66.0296 31.4350 178.0452 74 I 3.6160 7.9331 119.4932 64.4954 36.9771 177.9125 75 D 4.3538 8.1771 119.6789 57.5284 40.7396 179.2462 76 K 3.9465 8.0658 118.5843 59.4663 32.0481 179.4530 77 I 3.6336 7.6792 119.9591 64.3077 37.0685 178.4020 78 V 3.4843 7.9025 118.8797 66.2181 31.1179 177.8424 79 A 3.9644 8.1630 118.9838 55.1074 18.2459 179.0102 80 A 4.0993 7.8723 117.9725 54.3238 18.8735 178.8654 81 A 4.2524 8.3089 117.8231 52.0147 19.7647 177.7362 82 R 4.0823 7.6014 118.8485 56.7531 30.4304 176.1691 83 T 4.3688 8.8381 114.8688 61.0631 70.4023 175.5864 84 G 3.9260 9.0345 110.3743 45.2080 0.0000 172.9429 85 E 4.6561 7.8703 119.5068 53.9176 31.6682 175.5395 86 I 3.8638 7.9614 114.2363 62.6110 36.6970 176.3112 87 G 4.0091 8.9221 110.5706 45.6822 0.0000 174.9251 88 D 4.3037 7.3604 120.3126 55.3487 40.8623 175.2277 89 G 4.2291 6.3404 101.5409 44.5327 0.0000 172.5742 90 K 4.4718 8.0956 118.4030 54.9237 35.6931 174.5056 91 I 4.7348 7.7246 125.7621 59.3255 40.4814 174.6997 92 F 4.8987 9.2661 125.1121 55.6895 41.9707 174.1458 93 V 4.8300 8.6056 124.3221 61.5601 32.7186 175.0006 94 S 4.9783 9.2189 122.2411 55.6658 66.8073 171.5310 95 P 4.7246 0.0000 0.0000 62.7684 32.3007 175.5612 96 V 4.3687 8.1142 121.9320 61.3889 32.8535 175.4530 97 D 4.4971 9.0249 128.0412 56.7986 41.2659 176.4493 98 Q 4.6972 7.2893 115.4471 55.3596 31.8777 172.6636 99 T 4.7564 8.5306 120.7118 61.7989 72.2324 172.9683 100 I 4.9390 8.2034 125.5221 59.3219 40.6814 174.9960 101 R 4.0313 8.7766 128.6022 56.2037 29.5036 177.4551 102 I 3.7158 8.6179 127.6148 64.4732 37.6583 178.0243 103 R 4.0146 8.2308 119.3391 58.9729 29.7906 176.8775 104 T 4.3553 7.3272 102.0372 60.5735 70.5170 175.3255 105 G 3.9394 8.3305 109.1740 45.0431 0.0000 173.5573 106 E 4.0582 7.8632 119.6921 56.5498 29.8603 176.2589 107 K 5.1867 8.2761 120.6278 55.7116 36.3485 177.1498 108 N 4.1321 8.8982 119.8021 54.2859 38.1611 176.4101 109 A 4.1311 8.9789 128.7762 56.7706 17.7066 179.4225 110 D 4.3527 7.6798 114.3368 56.8633 40.9628 178.0791 111 A 4.3028 7.8314 119.5014 53.2260 18.9533 178.3601 112 I 4.2471 7.5426 119.1614 63.5083 38.7593 176.2928 *113 S 4.3205 7.7475 119.3358 58.0654 61.8881 176.1255 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 1 M 8.16 4.75 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.97 4.86 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 3 K 9.99 4.83 0.00 1.79 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 4 I 8.89 4.82 1.97 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 1.22 0.52 0.89 0.00 0.00 5 E 9.36 5.19 0.00 2.09 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 2.28 2.30 0.00 6 A 8.92 4.96 1.14 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 0.00 0.00 0.00 0.00 0.00 7 I 8.69 4.85 1.88 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 1.51 1.40 0.94 0.00 0.00 8 I 9.05 4.90 1.77 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 0.97 0.84 0.00 0.00 9 R 8.32 4.30 0.00 1.58 1.91 0.00 3.10 0.00 0.00 3.59 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 10 P 0.00 4.32 0.00 2.24 2.14 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 11 F 8.21 4.43 0.00 3.17 3.17 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 12 K 7.13 3.82 0.00 1.57 1.63 0.00 1.61 0.00 0.00 1.09 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.25 7.81 13 L 7.50 3.86 0.00 1.70 1.69 0.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.08 4.36 0.00 2.74 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 15 E 8.05 3.95 0.00 1.96 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 2.39 2.37 0.00 16 V 7.86 3.52 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 0.95 0.00 0.00 0.90 0.00 0.00 17 K 8.32 3.85 0.00 1.88 2.01 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 18 I 7.92 3.69 1.99 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 1.45 0.55 0.91 0.00 0.00 19 A 8.13 3.99 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 20 L 7.93 4.00 0.00 1.84 1.71 0.94 0.85 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 21 V 7.87 3.70 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 1.11 0.00 0.00 0.93 0.00 0.00 22 N 8.28 4.35 0.00 2.79 2.87 0.00 0.00 6.95 6.86 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 23 A 7.30 4.63 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 24 G 8.12 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 25 I 7.72 4.09 1.97 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 1.41 0.90 0.90 0.00 0.00 26 V 9.24 4.18 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 7.83 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 28 M 7.75 4.93 0.00 1.98 1.99 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 2.47 2.55 0.00 29 T 8.86 4.66 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 30 V 8.54 4.98 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.82 4.83 0.00 3.89 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 32 E 8.70 4.59 0.00 1.88 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 2.31 2.34 0.00 33 V 8.53 4.64 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 0.75 0.00 0.00 0.98 0.00 0.00 34 R 8.19 5.14 0.00 1.55 1.92 0.00 3.26 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 35 G 9.18 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 36 F 8.20 5.31 0.00 2.97 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 37 G 8.53 4.44 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 0.00 38 R 8.99 3.93 0.00 1.84 2.07 0.00 3.22 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 39 Q 8.17 4.33 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.42 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 K 9.13 3.09 0.00 1.80 1.47 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.04 1.27 7.81 41 G 8.45 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 0.00 0.00 0.00 42 Q 7.91 4.24 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.05 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 43 T 8.56 3.91 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 *51 Y 7.44 4.35 0.00 2.35 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 0.00 0.00 0.00 0.00 52 T 8.16 4.08 4.19 0.00 0.00 0.00 0.00 0.00 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 53 V 7.85 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.09 0.00 0.00 54 E 8.35 4.71 0.00 1.84 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 2.11 2.35 0.00 55 F 8.79 5.31 0.00 3.06 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 56 L 9.16 4.98 0.00 1.62 1.61 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.71 4.63 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 58 K 9.24 4.89 0.00 1.64 1.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.58 7.81 59 L 9.07 5.07 0.00 1.49 1.51 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.95 4.85 0.00 1.83 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 L 9.33 5.14 0.00 1.75 1.54 0.90 0.53 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 62 E 9.48 5.17 0.00 1.85 1.82 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 2.23 2.26 0.00 63 I 8.90 4.71 1.87 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 1.11 0.68 0.91 0.00 0.00 64 V 8.47 4.73 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 0.85 0.00 0.00 0.93 0.00 0.00 65 V 8.51 4.66 2.26 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 0.71 0.00 0.00 0.93 0.00 0.00 66 E 8.56 4.35 0.00 2.07 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 2.33 2.28 0.00 67 D 8.87 4.34 0.00 2.68 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 68 A 7.98 4.05 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 69 Q 8.17 4.29 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 70 V 7.40 3.57 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 1.10 0.00 0.00 0.93 0.00 0.00 71 D 8.09 4.34 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.82 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 1.20 0.00 0.00 73 V 7.89 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 74 I 7.93 3.62 1.85 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 1.49 0.55 0.87 0.00 0.00 75 D 8.18 4.35 0.00 2.66 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 76 K 8.07 3.95 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.76 7.81 77 I 7.68 3.63 1.95 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 1.37 0.70 0.85 0.00 0.00 78 V 7.90 3.48 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 0.98 0.00 0.00 0.90 0.00 0.00 79 A 8.16 3.96 1.30 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 80 A 7.87 4.10 1.33 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 0.00 0.00 81 A 8.31 4.25 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 82 R 7.60 4.08 0.00 1.89 1.84 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 83 T 8.84 4.37 4.33 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 1.36 0.00 0.00 84 G 9.03 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 85 E 7.87 4.66 0.00 2.06 1.89 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 2.28 2.40 0.00 86 I 7.96 3.86 1.89 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 1.36 0.55 0.92 0.00 0.00 87 G 8.92 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 0.00 0.00 0.00 88 D 7.36 4.30 0.00 2.52 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 89 G 6.34 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 90 K 8.10 4.47 0.00 1.69 1.28 0.00 1.82 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.62 1.22 7.81 91 I 7.72 4.73 1.69 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 1.21 0.63 0.82 0.00 0.00 92 F 9.27 4.90 0.00 2.90 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 93 V 8.61 4.83 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 0.83 0.00 0.00 0.93 0.00 0.00 94 S 9.22 4.98 0.00 3.85 3.91 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 0.00 0.00 0.00 95 P 0.00 4.72 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.11 4.37 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 0.80 0.00 0.00 0.93 0.00 0.00 97 D 9.02 4.50 0.00 2.71 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 98 Q 7.29 4.70 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 99 T 8.53 4.76 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 0.00 100 I 8.20 4.94 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 1.23 0.48 0.91 0.00 0.00 101 R 8.78 4.03 0.00 1.91 1.80 0.00 3.32 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 102 I 8.62 3.72 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 1.30 0.68 0.91 0.00 0.00 103 R 8.23 4.01 0.00 1.76 1.98 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.33 4.36 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 0.00 105 G 8.33 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 0.00 106 E 7.86 4.06 0.00 2.08 1.89 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 2.33 2.29 0.00 107 K 8.28 5.19 0.00 1.78 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.41 7.81 108 N 8.90 4.13 0.00 2.87 2.01 0.00 0.00 6.96 8.01 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 0.00 109 A 8.98 4.13 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 0.00 110 D 7.68 4.35 0.00 2.88 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 0.00 111 A 7.83 4.30 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 0.00 112 I 7.54 4.25 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 1.50 0.75 0.96 0.00 0.00 *113 S 7.75 4.32 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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.