NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3314 7.8827 114.4191 60.8361 40.0512 173.6215 3 V 4.6594 8.5643 123.7241 60.3224 34.0803 170.7628 4 E 4.8781 9.5407 130.8239 55.4798 31.1097 174.4567 5 E 4.6466 9.2284 129.1726 55.0315 31.3039 174.5057 6 R 5.1213 8.7842 126.9367 54.6102 32.8885 175.5474 7 I 4.8262 8.8760 123.9648 59.9592 40.6155 173.9009 8 Y 5.3910 9.0846 125.5523 56.2107 41.1676 174.8466 9 R 4.8820 9.0076 123.9018 55.0804 31.8772 175.0795 10 I 4.7871 8.5076 127.6817 59.4516 39.3800 175.9858 11 R 3.9526 8.9552 125.0331 56.1632 31.2092 176.5858 12 G 3.9632 8.7600 111.5872 47.8571 0.0000 173.6333 13 G 3.9856 9.1921 113.5508 45.1647 0.0000 174.0388 14 K 4.3230 7.7876 120.6451 54.8159 31.0414 176.4225 *16 Q 4.2909 7.9723 121.2946 55.7348 31.4378 177.5789 17 E 3.9126 8.2730 117.6770 59.3996 29.7421 177.7549 18 Y 4.0787 8.2414 119.6753 61.0177 38.7456 178.3411 19 L 4.0246 8.1830 119.1302 57.4939 41.7363 179.1155 20 K 3.9360 8.3295 119.7887 59.5621 32.1775 178.4030 21 L 4.0550 7.9324 119.0663 58.0503 41.5504 179.8132 22 V 3.5290 7.7180 117.5901 65.9734 31.2703 177.7126 23 R 3.7349 8.1760 117.6010 59.6352 29.9881 177.7233 24 E 4.3030 8.1178 115.6996 57.3148 29.8399 176.7174 25 E 4.3441 8.1874 116.2388 57.3818 32.5028 178.2773 26 G 2.7553 7.5697 104.6141 47.6553 0.0000 175.4692 27 I 3.9141 7.9178 121.9597 63.4445 37.7220 177.6979 28 A 3.9708 7.9080 120.5160 54.8649 16.8628 179.2096 29 I 3.9446 7.1711 117.8203 64.3436 37.5922 178.2961 30 Q 3.6886 8.5452 120.5308 58.8960 28.8023 178.0963 31 A 4.3207 8.2915 121.9188 54.8588 18.2878 177.8055 32 P 4.2329 0.0000 0.0000 65.7228 31.4763 178.6967 33 I 3.8393 6.9478 116.9791 64.4617 37.1588 178.2565 34 L 4.1509 7.6339 118.5611 56.2921 41.4295 177.4132 35 G 4.4163 8.8407 110.7782 45.9547 0.0000 174.2270 36 N 4.9517 7.7761 115.6312 50.3346 39.3293 173.8671 37 L 3.2465 7.9376 119.2125 55.7015 43.0503 176.1862 38 I 4.0304 7.8141 126.1366 62.8112 38.3133 175.9213 39 G 3.7131 6.8638 105.9904 44.6115 0.0000 171.1055 40 Y 4.3285 7.0243 120.5916 55.7651 41.6115 174.2070 41 F 5.1168 9.4997 124.9545 55.7858 43.8974 173.6988 42 V 4.8573 8.4831 121.8115 61.2519 33.1744 175.3447 43 T 4.0251 9.0409 126.1638 63.9689 68.2058 173.8806 44 D 4.6958 8.9050 124.8015 54.6618 42.9039 176.2684 45 I 4.5384 8.1816 118.7303 59.5498 40.7818 173.4556 46 G 3.7852 8.8239 114.1887 43.6398 0.0000 171.1375 47 P 4.2622 0.0000 0.0000 62.7259 31.8066 175.9773 48 L 4.5302 8.3123 122.5640 53.2595 44.1563 175.2688 49 S 3.6651 8.3282 110.5412 59.7979 60.9350 170.7964 50 Q 5.1124 7.9547 118.6150 54.0583 31.7865 173.9182 51 V 4.9743 8.7340 126.3018 61.2200 34.5438 174.2301 52 I 5.0862 9.2365 127.8614 59.9296 40.9578 174.3096 53 H 5.0237 8.4385 121.1464 52.4372 32.5880 171.6883 *55 W 4.7194 8.4475 116.3449 56.7929 30.3402 175.1608 56 G 4.3321 8.6875 111.9228 45.3956 0.0000 172.4972 57 Y 5.0983 8.5597 118.4426 56.2492 41.9112 175.4608 58 A 4.1538 9.1039 125.0001 55.1975 18.9503 178.2501 59 S 4.5850 7.4428 108.6559 56.7779 66.7031 176.0652 60 L 3.9612 8.2217 121.4154 57.4113 41.1952 179.1508 61 D 4.2226 7.9826 117.8197 57.3584 41.2108 177.3797 62 D 4.2820 8.0668 118.4565 57.4130 41.1375 178.1519 63 R 2.6791 7.6185 118.6187 59.0965 29.8998 178.0950 64 A 3.8470 7.7403 120.2886 55.1400 18.3114 179.2383 65 E 3.8055 8.3030 117.8388 59.5423 29.7150 179.3171 66 R 3.8808 8.0286 118.1948 59.3795 30.0616 179.3682 67 R 3.8569 8.3832 118.4200 58.7960 30.0486 179.3728 68 G 3.5361 8.1577 105.8650 47.7206 0.0000 175.8822 69 K 3.9577 7.8823 120.0252 58.9962 32.3279 178.9213 70 L 3.8771 7.9304 120.4532 58.0688 41.7826 178.8738 71 A 4.2324 7.9669 119.6124 55.0052 18.3779 178.6293 72 E 4.2753 7.9111 114.4149 56.2054 30.2307 176.1319 73 D 4.6817 7.7135 120.8588 53.3427 42.3631 176.9828 74 Q 4.0641 8.8717 125.7733 59.1091 28.7688 179.1299 75 R 3.9641 8.1132 118.5981 58.9835 30.2851 178.5227 76 W 4.3339 8.2332 127.8897 60.8917 30.4745 177.9414 77 Q 4.0787 8.3604 116.4945 59.0025 28.2053 178.4984 78 A 4.1040 7.9956 120.9123 54.5078 18.6735 179.1780 79 F 4.1945 7.9761 119.3481 61.2043 39.6462 177.5322 80 I 2.8733 7.5438 118.4507 63.3156 37.0278 175.9642 81 P 4.1334 0.0000 0.0000 65.5353 30.9154 178.7111 82 R 3.8140 7.2264 115.6240 58.8838 30.1566 178.6083 83 L 3.9049 6.9870 119.6687 58.1391 42.2409 178.8309 84 S 4.1239 8.4495 115.6535 61.5407 62.5042 176.8659 85 V 3.7787 7.2742 119.2957 63.5794 31.5710 177.3761 86 L 4.5527 7.9417 118.9026 54.0002 41.7349 175.6735 87 I 4.6344 6.9069 120.4960 60.0212 37.6324 175.4279 88 E 4.2510 8.8510 126.5355 59.0907 30.1108 177.1719 89 S 4.7794 7.7965 111.6232 57.4794 65.9025 173.3672 90 S 5.4449 8.4218 117.7217 57.5103 65.8695 172.5085 91 E 4.9620 9.1665 118.5438 55.9868 33.3508 172.9580 92 N 6.0874 8.7143 116.5776 52.9580 40.5133 173.1653 93 R 4.6680 8.3406 113.5815 55.5369 32.7854 173.4165 94 I 4.8720 8.3284 120.7397 59.6566 39.2728 174.9920 95 L 4.7438 9.1615 127.1504 52.8757 44.5100 175.3893 96 L 4.7501 8.3973 123.7290 52.3126 42.7317 174.8806 97 P 4.1460 0.0000 0.0000 62.8936 32.0591 176.6475 98 T 4.0544 7.8922 112.3789 60.6635 69.6328 174.9094 99 D 4.5078 8.2495 120.4171 54.7982 39.5720 176.7521 100 F 4.8188 6.8020 114.6513 56.5116 38.0492 175.0197 101 S 4.3740 7.5665 116.7052 57.2417 62.1344 172.1185 102 P 4.2177 0.0000 0.0000 65.0422 31.2416 176.0956 103 L 4.3904 7.7206 119.9542 53.9427 41.7671 176.1957 104 R 4.1520 8.2154 121.9642 56.6895 28.9054 174.8085 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 I 7.88 4.33 1.94 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 1.32 0.95 0.94 0.00 0.00 3 V 8.56 4.66 2.10 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 0.81 0.00 0.00 0.93 0.00 0.00 4 E 9.54 4.88 0.00 2.25 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 2.42 2.35 0.00 5 E 9.23 4.65 0.00 2.09 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 2.22 2.26 0.00 6 R 8.78 5.12 0.00 1.33 1.61 0.00 3.33 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 7 I 8.88 4.83 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.10 0.94 0.00 0.00 8 Y 9.08 5.39 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.01 4.88 0.00 1.89 1.80 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 10 I 8.51 4.79 1.80 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 1.05 0.61 0.97 0.00 0.00 11 R 8.96 3.95 0.00 1.74 1.87 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 12 G 8.76 3.96 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 0.00 0.00 0.00 13 G 9.19 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 0.00 0.00 0.00 14 K 7.79 4.32 0.00 1.94 1.81 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.55 7.81 *16 Q 7.97 4.29 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 E 8.27 3.91 0.00 2.08 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 0.00 2.40 2.39 0.00 18 Y 8.24 4.08 0.00 3.12 3.02 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 19 L 8.18 4.02 0.00 1.96 1.74 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.33 3.94 0.00 1.97 1.99 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.49 7.81 21 L 7.93 4.05 0.00 1.86 1.90 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.72 3.53 1.81 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 0.72 0.00 0.00 0.60 0.00 0.00 23 R 8.18 3.73 0.00 1.77 2.09 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 24 E 8.12 4.30 0.00 2.04 1.96 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 2.28 2.43 0.00 25 E 8.19 4.34 0.00 2.06 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 2.18 2.21 0.00 26 G 7.57 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 0.00 0.00 0.00 27 I 7.92 3.91 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.84 0.00 0.00 28 A 7.91 3.97 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 29 I 7.17 3.94 2.19 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 1.44 0.94 1.08 0.00 0.00 30 Q 8.55 3.69 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 31 A 8.29 4.32 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.02 2.13 0.00 3.74 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 2.15 2.18 0.00 33 I 6.95 3.84 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.41 0.81 0.00 0.00 34 L 7.63 4.15 0.00 1.35 1.46 -0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.84 4.42 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 0.00 36 N 7.78 4.95 0.00 2.80 2.64 0.00 0.00 6.65 6.74 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 37 L 7.94 3.25 0.00 1.15 1.39 -0.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.81 4.03 1.71 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 1.26 0.78 0.88 0.00 0.00 39 G 6.86 3.71 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 0.00 0.00 0.00 40 Y 7.02 4.33 0.00 2.68 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 41 F 9.50 5.12 0.00 2.88 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 42 V 8.48 4.86 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 0.87 0.00 0.00 1.06 0.00 0.00 43 T 9.04 4.03 4.35 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 1.22 0.00 0.00 44 D 8.90 4.70 0.00 2.62 2.67 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 45 I 8.18 4.54 1.86 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 1.35 0.78 0.91 0.00 0.00 46 G 8.82 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 47 P 0.00 4.26 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 48 L 8.31 4.53 0.00 1.62 1.61 0.93 0.98 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 49 S 8.33 3.67 0.00 3.97 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 50 Q 7.95 5.11 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 51 V 8.73 4.97 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 1.18 0.00 0.00 0.89 0.00 0.00 52 I 9.24 5.09 1.98 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 1.27 0.52 0.99 0.00 0.00 53 H 8.44 5.02 0.00 2.39 1.59 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.45 4.72 0.00 3.31 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 56 G 8.69 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 0.00 0.00 0.00 0.00 57 Y 8.56 5.10 0.00 2.86 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 58 A 9.10 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.44 4.59 0.00 4.00 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 60 L 8.22 3.96 0.00 1.68 1.70 0.91 0.84 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 61 D 7.98 4.22 0.00 2.75 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 62 D 8.07 4.28 0.00 2.85 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 63 R 7.62 2.68 0.00 0.70 1.64 0.00 2.92 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.00 64 A 7.74 3.85 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 65 E 8.30 3.81 0.00 2.06 2.04 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 2.27 2.47 0.00 66 R 8.03 3.88 0.00 1.99 2.05 0.00 3.50 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 67 R 8.38 3.86 0.00 1.72 1.85 0.00 2.98 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 68 G 8.16 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.96 0.00 1.86 1.84 0.00 1.93 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.42 7.81 70 L 7.93 3.88 0.00 1.39 1.50 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.97 4.23 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 72 E 7.91 4.28 0.00 2.39 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 2.32 2.18 0.00 73 D 7.71 4.68 0.00 2.95 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 74 Q 8.87 4.06 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.02 0.00 75 R 8.11 3.96 0.00 2.14 2.04 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 76 W 8.23 4.33 0.00 3.47 3.44 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 77 Q 8.36 4.08 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 78 A 8.00 4.10 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 79 F 7.98 4.19 0.00 3.05 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 80 I 7.54 2.87 0.78 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 1.56 0.91 0.74 0.00 0.00 81 P 0.00 4.13 0.00 2.06 1.98 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 82 R 7.23 3.81 0.00 1.56 1.79 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 83 L 6.99 3.90 0.00 0.81 1.39 0.51 1.21 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 84 S 8.45 4.12 0.00 3.79 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 85 V 7.27 3.78 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 0.78 0.00 0.00 0.90 0.00 0.00 86 L 7.94 4.55 0.00 1.99 1.83 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 I 6.91 4.63 1.87 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 1.32 0.75 0.71 0.00 0.00 88 E 8.85 4.25 0.00 1.97 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 2.33 2.39 0.00 89 S 7.80 4.78 0.00 3.86 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 90 S 8.42 5.44 0.00 3.88 3.41 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 91 E 9.17 4.96 0.00 2.10 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 2.26 2.32 0.00 92 N 8.71 6.09 0.00 2.87 2.90 0.00 0.00 6.21 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 R 8.34 4.67 0.00 1.89 2.04 0.00 2.93 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 94 I 8.33 4.87 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.95 0.00 0.00 95 L 9.16 4.74 0.00 1.59 1.53 0.92 0.48 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 96 L 8.40 4.75 0.00 1.50 1.59 0.92 1.08 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 97 P 0.00 4.15 0.00 1.97 2.13 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 98 T 7.89 4.05 3.44 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 0.90 0.00 0.00 99 D 8.25 4.51 0.00 2.80 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 0.00 100 F 6.80 4.82 0.00 3.05 3.14 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 0.00 101 S 7.57 4.37 0.00 3.70 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 0.00 102 P 0.00 4.22 0.00 2.09 2.13 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 103 L 7.72 4.39 0.00 1.57 1.58 0.90 0.83 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 0.00 104 R 8.22 4.15 0.00 1.87 1.87 0.00 3.08 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.