NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3570 8.1233 122.4572 52.3359 19.3777 174.3767 3 T 4.5144 7.8698 117.3375 61.7409 70.8618 172.0423 4 K 4.7115 9.3123 124.4755 54.4477 37.2376 174.3980 5 L 5.1920 8.9679 125.0050 53.3679 44.3095 175.2593 6 V 4.7860 8.4938 126.7676 60.2708 33.1774 175.2598 7 I 4.7461 8.8044 126.4812 59.6988 39.2977 174.4434 8 A 5.1240 9.2191 128.8098 50.2636 21.8806 174.5732 9 I 4.9706 8.8494 124.1968 59.9671 39.8888 175.2181 10 V 4.7130 8.5208 124.4026 61.8967 35.7266 172.5617 11 Q 4.5056 8.6783 126.3315 55.3666 29.6729 176.2472 12 D 4.5238 9.0398 125.0885 57.8480 40.6238 179.6880 13 K 4.1269 8.0799 117.2294 59.2806 33.0247 177.7934 14 D 4.7265 8.5548 118.8342 54.7941 41.4008 178.2829 15 A 4.2621 7.8609 122.0581 54.9588 18.3319 179.3026 16 N 4.3121 8.1961 114.7029 56.8527 38.7642 176.6947 17 Y 4.0779 8.0646 120.2628 60.5668 38.8555 177.8585 18 L 3.4326 7.9350 121.4042 57.9861 42.1939 179.1544 19 S 4.1543 8.1787 114.3192 61.5787 62.8532 176.2058 20 D 4.3161 8.0605 122.5512 56.9320 40.0379 178.2525 21 Q 3.6636 7.6202 120.1606 59.1679 28.9202 178.6821 22 F 4.5244 7.8650 118.5172 60.6614 38.9410 177.6228 23 I 3.7184 7.6409 118.8956 64.6558 36.8453 178.0657 24 D 4.5753 8.1485 116.8982 55.7860 40.6301 176.7348 25 Q 4.4227 7.2137 118.6398 55.1050 29.4094 174.3286 26 N 4.1809 8.1526 113.0642 54.9880 37.6718 173.6519 27 V 4.0693 8.1946 116.5032 60.5635 32.7378 175.5141 28 R 4.1917 8.4054 126.9277 55.1747 29.1357 175.2948 29 A 4.6805 8.1518 125.3916 50.3189 20.9247 175.7884 30 T 4.6641 8.3085 114.7105 59.8934 69.8933 172.6187 31 K 4.6445 8.4979 128.4384 54.5103 34.6692 174.9070 32 L 4.8666 8.5567 127.0333 52.9540 44.9145 175.2292 33 S 5.0989 8.4782 116.3928 57.1342 65.0321 173.1891 34 T 4.9206 8.4661 113.9823 60.1547 72.3837 172.3020 35 T 5.1212 8.1136 109.7695 60.7268 72.3503 173.1886 36 G 3.8674 8.9857 108.1222 46.8844 0.0000 173.7725 37 G 4.4988 8.5588 105.3540 44.7590 0.0000 174.2254 38 F 4.0156 8.8228 120.3657 60.9869 39.2016 175.8786 39 L 4.2083 7.9964 117.1547 54.2466 42.5270 175.5925 40 Q 3.4909 7.8393 118.8111 57.5768 27.4645 171.9740 41 S 4.8764 8.0775 114.9072 56.1318 67.2824 175.7317 42 G 4.0791 8.6269 109.1936 47.0854 0.0000 172.7436 43 N 5.3433 9.1552 121.6522 51.0410 41.1506 172.9291 44 T 4.9683 9.1082 107.1692 60.9837 72.6525 173.0014 45 T 5.1484 8.4968 120.0107 62.3382 71.6397 173.8545 46 F 5.6887 8.8566 123.5423 54.9226 43.3727 173.8229 *48 I 4.0034 8.2856 120.3059 61.7403 38.3492 175.3470 49 G 4.1125 8.6374 115.2136 45.9316 0.0000 171.7466 50 I 4.5979 8.2872 123.9499 59.3101 42.2731 173.6350 51 E 4.3088 8.6312 126.3800 55.8767 30.4686 177.1586 52 E 3.7800 9.7225 125.1850 59.8990 29.3693 179.2532 53 E 4.0014 8.1430 116.6385 58.8645 29.8476 178.4350 54 R 4.3201 8.4401 116.7925 56.2268 30.6350 178.2605 55 V 3.5383 7.4342 119.0183 66.0062 31.3965 176.1404 56 P 4.4071 0.0000 0.0000 65.3131 31.1204 178.0087 57 E 3.8786 8.1596 117.8504 59.3188 29.6002 178.5439 58 V 3.6523 7.7934 117.9933 66.3055 31.4721 177.9581 59 L 4.0095 8.3872 118.6912 57.8706 41.4979 179.1508 60 E 3.9456 8.3997 119.2145 59.3594 29.4363 178.7402 61 I 3.7103 7.8475 119.8127 64.5014 37.1451 178.4995 62 I 3.6236 7.8479 120.3681 64.2509 37.0824 178.0502 63 K 3.8459 8.3538 120.8589 59.9261 31.7028 178.8161 64 K 4.0886 8.0343 116.9208 59.2965 32.0380 178.8390 65 A 4.5310 7.6310 120.3940 54.0925 18.7883 178.1653 66 S 5.3897 8.3236 108.6632 57.2793 65.6710 174.1526 67 H 4.5979 8.1169 116.3859 56.3154 29.0149 175.3344 68 T 4.4592 8.4798 116.3788 64.1456 69.7681 173.8395 69 R 4.7103 8.9818 121.1003 55.9286 33.3926 172.8526 70 E 5.1074 8.5930 117.8447 54.8584 31.8605 175.4604 71 E 4.6442 9.4330 122.5271 54.6548 34.4449 174.7001 72 F 5.7480 8.3696 118.7426 56.0999 41.0054 176.0432 *74 T 4.0924 8.1763 116.2368 62.7916 69.3672 172.4903 75 P 4.3826 0.0000 0.0000 62.8417 32.2898 177.6816 76 S 4.4499 8.4451 123.7232 57.9423 61.5449 175.1566 *89 Y 4.3373 7.2774 118.2572 55.1483 37.6718 174.2155 90 P 4.5609 0.0000 0.0000 62.9163 32.8504 175.0803 91 I 4.8635 8.2094 120.0901 59.3469 42.1088 173.9395 92 K 4.4389 8.8199 127.0941 55.9803 32.5652 176.4479 93 V 4.4374 9.0672 126.0385 60.9005 34.7612 174.1723 94 Q 4.8132 8.5662 127.6951 55.8720 30.1274 174.8979 95 V 4.3228 9.2766 118.7460 61.0356 36.6839 175.6560 96 G 3.6667 8.7529 109.4076 47.3665 0.0000 173.7415 97 G 3.9738 9.2390 109.7627 45.3126 0.0000 172.3131 98 A 5.0602 8.1321 123.7241 50.4398 23.0192 174.9010 99 T 4.7163 8.6375 112.7118 60.9138 71.0407 173.1391 100 V 5.1919 8.3536 120.4686 59.8059 36.1348 174.2188 101 L 4.9520 9.1413 123.8353 53.9492 43.9038 175.3450 102 V 4.8480 8.5181 121.6261 60.0380 33.3297 174.8915 103 L 4.9692 8.9888 125.0518 51.7941 44.9772 174.3141 104 P 4.7695 0.0000 0.0000 63.1653 32.3034 175.9312 105 V 4.4829 7.8662 113.1615 59.9083 34.5685 176.0140 106 D 4.5010 8.9918 124.6874 57.1029 41.1670 176.6964 107 Q 4.6332 7.5680 116.8582 54.6433 31.9949 172.9397 108 F 4.7201 8.6313 125.3266 56.3275 42.3035 173.7420 109 E 4.3819 7.3970 125.7724 54.2215 33.0404 174.6764 110 R 4.2257 8.1230 121.9634 54.2950 32.4917 175.6238 111 F 4.8588 8.4222 121.8942 57.8274 39.4761 175.1311 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 A 8.12 4.36 1.37 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 0.00 0.00 0.00 3 T 7.87 4.51 4.22 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 1.17 0.00 0.00 4 K 9.31 4.71 0.00 1.55 1.73 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 5 L 8.97 5.19 0.00 1.72 1.51 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.49 4.79 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 0.70 0.00 0.00 0.95 0.00 0.00 7 I 8.80 4.75 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 1.19 0.74 1.00 0.00 0.00 8 A 9.22 5.12 1.35 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 9 I 8.85 4.97 1.92 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 1.15 0.56 1.00 0.00 0.00 10 V 8.52 4.71 2.31 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 0.82 0.00 0.00 1.01 0.00 0.00 11 Q 8.68 4.51 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 12 D 9.04 4.52 0.00 2.73 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 13 K 8.08 4.13 0.00 1.91 1.96 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.52 7.81 14 D 8.55 4.73 0.00 2.79 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 15 A 7.86 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.31 0.00 2.81 2.94 0.00 0.00 6.78 7.48 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 17 Y 8.06 4.08 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 18 L 7.93 3.43 0.00 1.86 1.26 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.18 4.15 0.00 4.33 4.56 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 20 D 8.06 4.32 0.00 2.73 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 21 Q 7.62 3.66 0.00 1.72 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 22 F 7.87 4.52 0.00 3.25 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 23 I 7.64 3.72 2.01 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 1.60 0.97 0.93 0.00 0.00 24 D 8.15 4.58 0.00 2.59 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 25 Q 7.21 4.42 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 26 N 8.15 4.18 0.00 2.87 2.88 0.00 0.00 6.87 7.25 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 27 V 8.19 4.07 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 0.27 0.00 0.00 0.97 0.00 0.00 28 R 8.41 4.19 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 29 A 8.15 4.68 1.22 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 0.00 0.00 30 T 8.31 4.66 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 1.24 0.00 0.00 31 K 8.50 4.64 0.00 0.91 1.51 0.00 1.60 0.00 0.00 1.20 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.06 7.81 32 L 8.56 4.87 0.00 1.58 1.47 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.48 5.10 0.00 3.82 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 34 T 8.47 4.92 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 1.19 0.00 0.00 35 T 8.11 5.12 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 1.20 0.00 0.00 36 G 8.99 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 0.00 0.00 0.00 37 G 8.56 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.02 0.00 2.97 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 39 L 8.00 4.21 0.00 1.73 1.74 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.84 3.49 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 41 S 8.08 4.88 0.00 3.80 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 42 G 8.63 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 0.00 0.00 0.00 43 N 9.16 5.34 0.00 3.10 2.93 0.00 0.00 6.34 6.50 0.00 0.00 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 T 9.11 4.97 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 1.31 0.00 0.00 45 T 8.50 5.15 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 1.25 0.00 0.00 46 F 8.86 5.69 0.00 2.98 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 *48 I 8.29 4.00 1.76 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 1.13 0.69 0.71 0.00 0.00 49 G 8.64 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.29 4.60 1.76 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 1.15 1.24 0.83 0.00 0.00 51 E 8.63 4.31 0.00 2.34 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 2.27 2.16 0.00 52 E 9.72 3.78 0.00 2.08 2.00 0.00 0.00 0.00 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 2.37 0.00 53 E 8.14 4.00 0.00 1.92 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 2.29 2.44 0.00 54 R 8.44 4.32 0.00 1.87 1.90 0.00 3.10 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 55 V 7.43 3.54 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 0.95 0.00 0.00 0.90 0.00 0.00 56 P 0.00 4.41 0.00 2.19 2.08 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 57 E 8.16 3.88 0.00 2.02 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 2.39 2.38 0.00 58 V 7.79 3.65 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 0.96 0.00 0.00 0.90 0.00 0.00 59 L 8.39 4.01 0.00 1.94 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.40 3.95 0.00 2.20 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 2.41 0.00 61 I 7.85 3.71 2.13 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 1.54 0.91 0.77 0.00 0.00 62 I 7.85 3.62 2.08 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 1.47 0.95 0.93 0.00 0.00 63 K 8.35 3.85 0.00 1.81 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 64 K 8.03 4.09 0.00 1.97 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.69 7.81 65 A 7.63 4.53 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 66 S 8.32 5.39 0.00 3.87 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 67 H 8.12 4.60 0.00 3.21 3.57 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.48 4.46 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 1.26 0.00 0.00 69 R 8.98 4.71 0.00 1.82 2.03 0.00 2.71 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 70 E 8.59 5.11 0.00 1.73 1.66 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 2.09 2.22 0.00 71 E 9.43 4.64 0.00 1.73 1.77 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 2.14 2.18 0.00 72 F 8.37 5.75 0.00 2.97 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 *74 T 8.18 4.09 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 1.24 0.00 0.00 75 P 0.00 4.38 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 76 S 8.45 4.45 0.00 3.85 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 *89 Y 7.28 4.34 0.00 2.36 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 0.00 0.00 0.00 0.00 90 P 0.00 4.56 0.00 1.76 2.02 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 91 I 8.21 4.86 1.93 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 1.38 1.37 0.96 0.00 0.00 92 K 8.82 4.44 0.00 1.62 1.59 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.52 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.67 0.40 7.81 93 V 9.07 4.44 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 0.93 0.00 0.00 0.93 0.00 0.00 94 Q 8.57 4.81 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 95 V 9.28 4.32 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 0.65 0.00 0.00 0.88 0.00 0.00 96 G 8.75 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 0.00 0.00 0.00 97 G 9.24 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 98 A 8.13 5.06 1.22 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 0.00 0.00 99 T 8.64 4.72 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 1.30 0.00 0.00 100 V 8.35 5.19 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 0.80 0.00 0.00 0.96 0.00 0.00 101 L 9.14 4.95 0.00 1.66 1.72 0.94 1.15 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 0.00 102 V 8.52 4.85 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 0.76 0.00 0.00 0.93 0.00 0.00 103 L 8.99 4.97 0.00 1.55 1.59 0.93 0.87 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 0.00 104 P 0.00 4.77 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 105 V 7.87 4.48 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 0.78 0.00 0.00 1.07 0.00 0.00 106 D 8.99 4.50 0.00 2.68 2.73 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 0.00 107 Q 7.57 4.63 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 108 F 8.63 4.72 0.00 2.96 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 0.00 109 E 7.40 4.38 0.00 1.16 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 2.01 2.08 0.00 110 R 8.12 4.23 0.00 1.70 1.76 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 111 F 8.42 4.86 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.