NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7919 8.3027 120.6650 56.1249 31.5782 171.4896 3 V 4.7843 8.4987 125.3547 59.5148 34.8949 172.7188 4 T 5.1858 9.1222 116.4161 59.8574 73.1356 171.8094 5 L 5.2936 9.0641 125.7129 53.5038 44.9127 174.9659 6 V 4.8659 8.9456 126.8090 61.1242 34.3105 173.6491 7 E 4.7332 9.4191 129.4967 54.9763 31.5435 174.6137 8 I 4.8902 8.6678 127.1569 59.5603 41.0134 173.8407 9 N 5.2605 8.7973 124.0750 51.4788 40.2663 174.2684 10 V 4.5199 8.3318 123.9766 60.4185 34.2970 175.5966 11 K 4.0266 8.9722 127.1469 56.4216 32.4605 177.8105 12 E 3.8907 8.9574 124.8212 59.1753 29.6218 177.0229 13 D 4.7474 8.0214 115.1909 53.4194 39.9500 176.4584 14 K 4.5846 8.2015 118.3589 56.0413 33.5874 177.9819 15 V 3.6911 8.0297 120.6517 66.0744 31.3699 177.2918 16 D 4.4152 8.2294 118.3629 56.9775 38.9449 178.6818 17 Q 4.0132 8.0836 118.9732 58.3044 28.7071 178.1255 18 F 4.1067 8.4452 121.8477 61.3945 39.4410 177.3098 19 I 3.4519 8.0682 119.5658 64.1074 37.0127 177.8607 20 E 3.8402 8.0515 120.2012 59.3175 29.4427 179.0325 21 V 3.4091 7.8008 118.1943 66.1933 31.5882 178.0545 22 F 3.6080 8.0138 117.2625 59.7315 38.6651 177.7302 23 R 3.8498 8.4100 119.1029 59.3737 29.8376 178.4461 24 A 3.8986 7.7427 120.0526 54.9943 18.3048 179.1378 25 N 4.0791 7.9479 115.6016 56.8835 38.9145 176.4918 26 H 2.9688 8.5640 119.8831 58.8064 29.7305 176.8179 27 L 3.8794 7.6557 120.6923 58.1737 41.7351 178.8311 28 G 3.3350 7.8257 105.4728 47.7911 0.0000 175.8740 29 S 4.7068 8.1675 119.3923 60.6635 62.6843 176.7376 30 I 4.0592 7.3881 115.8611 62.9209 37.2877 177.6476 31 R 4.1561 7.2956 117.0640 56.2845 30.6632 176.5179 32 E 4.1853 7.7026 120.0099 55.6617 30.2579 177.6002 33 A 3.9672 8.9207 126.2364 55.1486 18.6647 178.6008 34 G 4.0480 8.0622 101.9869 45.4681 0.0000 172.3173 35 N 4.6541 8.0904 119.6563 53.1231 39.6702 175.4079 36 L 4.6182 8.6602 124.7031 55.5741 44.6230 177.1431 37 R 4.6887 7.4438 115.5927 54.9737 34.8718 174.7081 38 F 5.2475 8.7698 124.2829 57.2258 40.3600 171.6704 39 D 5.1286 9.6158 123.8253 52.2256 43.3775 175.0665 40 V 4.6930 8.5227 122.5483 61.3422 33.1455 174.6852 41 L 5.0831 9.2837 127.1636 52.9894 45.9593 175.3045 42 R 4.6865 8.4256 120.4185 54.0312 31.6214 174.9194 43 D 4.5828 8.8615 124.6806 54.7556 41.7140 177.3227 44 E 4.1506 8.9861 125.2858 58.6968 29.9309 177.1077 45 H 4.7080 7.8456 113.2680 55.2348 31.4802 173.4217 46 I 4.2293 8.2972 121.3198 58.9465 37.0438 174.8522 47 P 4.1791 0.0000 0.0000 64.7469 31.4853 177.5508 48 T 4.3872 7.7209 106.9250 60.9788 69.3188 172.9814 49 R 4.6875 7.3378 123.4974 54.9502 31.9578 174.8690 50 F 5.1278 8.9788 124.9978 55.8115 43.0112 173.9662 51 Y 5.2779 9.1144 117.7639 56.4356 42.0561 174.4535 52 I 4.7731 8.9809 124.6530 59.7416 40.0247 173.8946 53 Y 4.9589 9.0298 129.5030 56.2088 40.2012 173.9944 54 E 5.0066 8.9191 126.7149 54.3528 33.3288 175.2333 55 A 5.0673 8.3877 124.0539 50.5005 21.3829 174.5981 56 Y 5.0630 8.9121 117.8201 56.0765 42.2851 176.5195 57 T 4.3080 8.7842 112.3308 65.1670 69.0849 173.3747 58 D 4.5509 7.5567 118.1505 51.2949 42.6046 176.0643 59 E 3.8435 8.5273 117.6311 59.0413 29.2265 179.2966 60 A 3.9442 8.0216 120.6594 55.0837 18.4364 179.3109 61 A 3.9983 8.5190 119.2174 54.7892 18.4079 180.1460 62 V 2.6981 7.2202 116.5393 65.7846 31.3445 178.0712 63 A 3.8329 7.5681 119.3501 55.1354 18.5080 179.3236 64 I 3.7012 7.6753 118.2662 64.7128 37.2145 177.9117 65 H 4.1375 8.0796 119.1330 59.3018 29.3967 176.7041 66 K 2.9979 7.4221 116.8812 57.1205 31.9703 178.0756 67 T 4.3106 7.4077 109.8722 61.3709 70.1169 175.1482 68 T 4.1424 6.9882 113.0930 60.6040 69.9337 173.7847 69 P 4.2569 0.0000 0.0000 66.1131 31.3291 178.7417 70 H 4.1703 8.0731 113.5368 58.7432 28.4631 176.9919 71 Y 3.8763 7.4949 122.2436 60.4107 38.7517 177.8658 72 L 3.8572 8.0885 119.9467 57.7875 41.6679 179.5595 73 Q 3.9386 8.2062 118.2494 58.7716 28.5103 178.2025 74 C 3.8397 7.7740 119.7790 62.3620 31.3002 175.6558 75 V 3.3922 7.3670 119.8301 65.9780 30.7557 177.7515 76 E 3.9422 7.5843 116.4216 59.7506 29.4752 179.2412 77 Q 4.1241 7.8949 116.1099 58.2568 28.9866 177.9906 78 L 4.1804 8.3036 122.0053 57.5410 41.8990 178.3037 79 A 4.0085 7.4630 121.3595 54.9184 18.2036 176.9950 80 P 4.4865 0.0000 0.0000 64.4927 31.9149 176.1585 81 L 4.3836 8.0872 120.6093 55.7164 41.6982 178.2323 *83 T 4.1957 8.0001 107.8324 60.5247 70.3507 172.8655 84 G 3.9431 7.2994 109.7479 44.5623 0.0000 171.1864 85 P 4.4481 0.0000 0.0000 62.2380 31.8515 176.5613 86 R 4.3461 8.4146 118.8154 56.6507 31.0301 176.0085 87 K 4.7348 8.7933 121.1927 54.5388 35.1767 175.1814 88 K 5.0863 8.6093 124.2278 54.9759 35.3477 175.1177 89 T 4.5390 8.9603 123.4371 61.6633 71.5072 173.1357 90 V 4.5857 7.9841 124.9758 61.2624 33.8734 174.5290 91 F 5.0812 9.1122 124.3237 55.8981 43.7967 173.3994 92 I 4.8020 8.4753 120.8967 59.4742 39.1226 176.0161 93 G 3.8363 8.7984 115.9424 45.3970 0.0000 173.3311 94 L 4.4761 8.3450 121.4292 54.0170 43.0866 174.7034 *96 P 4.1993 0.0000 0.0000 61.6066 32.3503 176.6926 97 G 3.6649 8.5877 107.4865 46.4821 0.0000 172.2345 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 H 8.30 4.79 0.00 3.35 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.50 4.78 2.18 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 0.61 0.00 0.00 0.88 0.00 0.00 4 T 9.12 5.19 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 1.26 0.00 0.00 5 L 9.06 5.29 0.00 2.18 1.83 1.14 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.95 4.87 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 1.06 0.00 0.00 1.02 0.00 0.00 7 E 9.42 4.73 0.00 2.13 1.80 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 2.03 1.67 0.00 8 I 8.67 4.89 1.78 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 1.29 0.56 0.92 0.00 0.00 9 N 8.80 5.26 0.00 2.53 2.67 0.00 0.00 6.84 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 10 V 8.33 4.52 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 0.72 0.00 0.00 -0.01 0.00 0.00 11 K 8.97 4.03 0.00 1.90 1.91 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 12 E 8.96 3.89 0.00 1.93 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 2.31 2.33 0.00 13 D 8.02 4.75 0.00 2.84 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 14 K 8.20 4.58 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.50 7.81 15 V 8.03 3.69 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 1.36 0.00 0.00 1.10 0.00 0.00 16 D 8.23 4.42 0.00 2.97 2.97 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 17 Q 8.08 4.01 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 18 F 8.45 4.11 0.00 3.15 3.19 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 0.00 19 I 8.07 3.45 2.03 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 1.69 0.73 0.92 0.00 0.00 20 E 8.05 3.84 0.00 2.07 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 2.28 2.32 0.00 21 V 7.80 3.41 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 0.64 0.00 0.00 0.94 0.00 0.00 22 F 8.01 3.61 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.85 0.00 1.94 2.02 0.00 3.07 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 24 A 7.74 3.90 1.27 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 0.00 0.00 0.00 25 N 7.95 4.08 0.00 2.42 2.44 0.00 0.00 6.87 7.47 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 26 H 8.56 2.97 0.00 3.29 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.66 3.88 0.00 1.69 1.79 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.83 3.33 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 29 S 8.17 4.71 0.00 3.09 3.98 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 30 I 7.39 4.06 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.09 0.85 0.00 0.00 31 R 7.30 4.16 0.00 1.95 1.99 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 32 E 7.70 4.19 0.00 2.30 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 2.45 2.56 0.00 33 A 8.92 3.97 1.31 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 0.00 0.00 34 G 8.06 4.05 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 0.00 0.00 0.00 35 N 8.09 4.65 0.00 2.96 2.83 0.00 0.00 6.99 6.00 0.00 0.00 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 L 8.66 4.62 0.00 1.50 1.63 0.97 0.84 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 37 R 7.44 4.69 0.00 1.68 1.93 0.00 3.48 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 38 F 8.77 5.25 0.00 3.01 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 39 D 9.62 5.13 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.69 2.21 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 0.90 0.00 0.00 1.23 0.00 0.00 41 L 9.28 5.08 0.00 1.88 1.57 0.90 0.65 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 42 R 8.43 4.69 0.00 1.74 1.67 0.00 3.12 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 43 D 8.86 4.58 0.00 2.87 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 44 E 8.99 4.15 0.00 1.87 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 1.87 2.19 0.00 45 H 7.85 4.71 0.00 3.29 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.30 4.23 1.80 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 1.28 0.99 0.86 0.00 0.00 47 P 0.00 4.18 0.00 2.00 2.08 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 48 T 7.72 4.39 4.43 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 1.21 0.00 0.00 49 R 7.34 4.69 0.00 1.84 1.62 0.00 3.03 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.17 0.00 50 F 8.98 5.13 0.00 2.74 2.97 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 51 Y 9.11 5.28 0.00 2.95 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 52 I 8.98 4.77 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.96 0.51 0.00 0.00 53 Y 9.03 4.96 0.00 2.97 2.83 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 54 E 8.92 5.01 0.00 1.90 1.79 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 1.47 1.87 0.00 55 A 8.39 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.91 5.06 0.00 2.96 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 57 T 8.78 4.31 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 1.31 0.00 0.00 58 D 7.56 4.55 0.00 2.88 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 59 E 8.53 3.84 0.00 1.98 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 2.11 2.34 0.00 60 A 8.02 3.94 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 61 A 8.52 4.00 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.22 2.70 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 0.79 0.00 0.00 0.79 0.00 0.00 63 A 7.57 3.83 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 64 I 7.68 3.70 1.96 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 1.37 0.95 0.89 0.00 0.00 65 H 8.08 4.14 0.00 3.00 3.00 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.42 3.00 0.00 1.57 1.45 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.99 7.81 67 T 7.41 4.31 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 1.21 0.00 0.00 68 T 6.99 4.14 4.10 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 1.30 0.00 0.00 69 P 0.00 4.26 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 70 H 8.07 4.17 0.00 3.27 3.50 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.49 3.88 0.00 2.80 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 72 L 8.09 3.86 0.00 1.73 1.69 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.21 3.94 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 74 C 7.77 3.84 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 75 V 7.37 3.39 1.87 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 0.90 0.00 0.00 0.26 0.00 0.00 76 E 7.58 3.94 0.00 2.11 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 2.31 2.41 0.00 77 Q 7.89 4.12 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 78 L 8.30 4.18 0.00 1.89 1.74 1.32 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.46 4.01 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 P 0.00 4.49 0.00 2.20 2.19 0.00 3.83 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 2.09 1.99 0.00 81 L 8.09 4.38 0.00 1.95 1.80 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *83 T 8.00 4.20 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 1.22 0.00 0.00 84 G 7.30 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 85 P 0.00 4.45 0.00 2.20 2.08 0.00 3.78 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 1.99 0.00 86 R 8.41 4.35 0.00 1.78 1.97 0.00 3.29 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 87 K 8.79 4.73 0.00 1.73 1.70 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 88 K 8.61 5.09 0.00 1.75 1.64 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.46 7.81 89 T 8.96 4.54 4.07 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 0.55 0.00 0.00 90 V 7.98 4.59 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 0.71 0.00 0.00 0.89 0.00 0.00 91 F 9.11 5.08 0.00 2.97 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 92 I 8.48 4.80 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.95 0.00 0.00 93 G 8.80 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 94 L 8.35 4.48 0.00 1.63 1.69 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *96 P 0.00 4.20 0.00 2.21 2.10 0.00 3.95 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 97 G 8.59 3.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.