NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.8782 8.3244 122.8134 58.2283 39.3674 172.0692 3 R 4.0056 7.1304 125.1556 53.6441 30.7875 175.6033 4 C 4.5073 8.4756 123.6766 56.0404 42.6004 171.5386 5 P 4.4750 0.0000 0.0000 62.6981 31.4703 175.8534 6 T 3.9818 8.3515 116.4974 66.1648 68.6243 174.2844 7 T 3.5164 9.0752 120.2676 61.1629 66.5681 171.1421 8 W 4.8460 8.1715 119.9633 56.1229 30.9513 175.7504 9 S 5.0064 9.5635 118.8254 56.9302 64.9634 172.8862 10 A 5.3010 8.8513 126.1047 50.6675 19.9713 177.0142 11 S 4.3342 8.8077 118.2487 56.4084 65.6823 174.4567 12 K 3.9354 8.6194 120.2372 59.2524 31.9490 177.6723 13 L 4.4030 7.3660 112.7240 54.3181 43.6865 175.2388 14 Y 5.1637 7.6877 114.9283 56.2574 42.7424 173.4240 15 C 5.5050 8.6069 118.3445 55.4973 38.6248 172.9483 16 Y 5.6440 9.4088 120.1329 56.5520 42.0266 174.5831 17 K 4.3410 8.7230 122.3946 54.5655 35.9018 172.9984 18 P 4.8350 0.0000 0.0000 62.1786 32.8797 175.2548 19 F 4.5152 8.5981 120.2118 55.7832 41.8973 176.2683 20 K 4.0609 8.8118 121.8306 57.7438 32.7657 177.4386 21 E 4.0470 8.0617 117.1819 56.2456 29.8564 176.2966 22 K 4.6055 8.5613 123.0242 56.0050 33.0601 176.3967 23 K 5.0188 9.3693 123.6272 54.5511 37.1620 176.0806 24 T 4.8943 8.6877 112.6928 61.0838 69.7555 175.0441 25 W 2.8057 8.5178 132.1154 60.4889 30.3868 178.1770 26 I 3.5661 7.7123 118.0695 63.7526 37.4744 177.3132 27 E 3.8670 7.8597 117.9233 58.5575 29.4685 179.0525 28 A 2.8591 7.5027 122.1381 54.6551 18.3779 178.9410 29 E 3.4774 7.3548 117.9635 59.5416 29.3806 179.3901 30 R 3.8439 7.9557 118.1354 58.9532 29.8536 178.6512 31 F 3.8925 8.0974 119.9973 61.6377 39.7491 176.2688 32 C 4.6718 8.5969 116.0201 60.0879 39.7888 175.9967 33 A 4.3252 7.7192 122.6638 54.2509 16.8623 179.5063 34 K 3.9664 7.7221 117.2386 59.3021 31.8265 179.4896 35 Q 4.0629 7.6401 117.0056 58.4384 29.1466 175.9234 36 A 3.8849 6.9214 118.0533 50.6658 22.2844 175.0142 37 E 3.9117 8.4541 120.7638 57.8814 29.7770 176.5847 38 N 4.2995 8.9327 121.9540 54.0362 36.4365 174.2931 39 G 3.9757 7.6986 106.1290 46.9420 0.0000 173.1846 40 H 5.3058 9.3074 119.1003 53.9125 34.0270 172.9063 41 L 4.6518 8.6751 120.4383 55.2454 42.3851 178.1328 42 V 3.9511 8.8535 122.0675 62.0762 32.3692 175.3784 43 S 4.9091 8.6002 117.7148 56.4844 65.1852 173.6688 44 I 4.5849 8.1582 122.4889 60.0462 38.7015 175.5825 45 G 4.0649 8.9447 114.5510 45.5632 0.0000 172.8008 46 S 4.6010 7.5501 113.2299 56.2798 66.5359 175.6562 47 A 3.9916 8.4957 123.9416 55.3332 18.0083 179.8456 48 A 3.9716 7.9934 118.7948 55.2939 18.5693 179.3223 49 E 3.9284 8.3393 117.6609 59.2923 29.7225 178.7958 50 A 4.1669 8.4007 121.0760 55.4677 18.4647 179.4259 51 D 4.3326 8.4800 117.5577 57.3227 40.9079 178.7873 52 F 3.8416 8.5062 121.4454 61.1193 39.4460 176.8941 53 L 3.6803 8.4526 120.3551 58.1754 41.7623 178.5648 54 D 4.2640 8.1709 118.7936 57.3712 40.7215 178.8748 55 L 3.7656 7.6206 119.3671 57.5637 41.4165 179.5396 56 V 3.2347 7.2032 118.0980 65.9174 31.3317 178.1600 57 I 2.9466 7.3020 119.1896 64.2166 36.6687 178.6612 58 V 3.5781 7.3849 117.6837 65.8935 31.3774 177.7906 59 V 3.6019 7.7897 117.6254 65.8138 31.3369 177.1833 60 N 4.4466 7.3395 114.8934 54.9149 39.2070 176.5463 61 F 5.2887 8.5728 121.1328 57.0465 40.2197 178.3035 *65 R 3.9893 8.2025 126.7881 57.0647 29.9616 172.4155 66 Y 5.0134 7.4859 120.3641 54.3489 42.1499 174.7416 67 R 5.0066 8.5805 120.3823 55.1972 32.7529 173.8570 68 A 4.9481 8.9698 127.9202 49.5837 22.9445 175.0971 69 W 5.0358 9.5248 122.5149 57.5535 30.3385 176.1124 70 T 4.7290 9.1381 114.8755 59.7994 70.8346 174.6206 71 G 4.1247 9.0042 108.7907 45.9729 0.0000 173.0117 72 L 4.6312 8.0369 123.5514 54.1219 43.2654 175.7486 73 T 5.1327 8.2514 115.0170 59.9893 72.3637 172.8917 74 E 4.5087 8.6426 121.4667 55.8072 30.4345 177.3832 75 R 4.3157 8.4868 121.4503 55.4121 31.3277 176.2686 76 N 4.7150 8.3960 117.0150 53.2436 39.2924 175.2194 77 L 3.8702 8.0898 121.0623 54.9446 43.0922 176.1146 78 K 4.7171 7.9583 122.3551 54.3820 35.1747 176.0962 79 W 4.4850 8.9540 127.6536 56.8164 29.5975 177.4646 80 T 3.9330 8.7316 111.1501 64.4224 68.2777 174.8043 81 N 4.5497 8.2496 117.6454 53.2097 37.6353 175.7633 82 G 3.9743 8.4208 108.5449 45.3078 0.0000 174.1879 83 A 4.2639 8.3200 123.3668 51.7312 19.0408 177.3772 84 S 4.3940 8.5385 117.6067 58.6573 63.4492 175.1732 85 V 4.0044 7.5201 124.2881 62.0764 29.3876 175.6822 86 S 4.4163 7.9403 121.9963 59.9913 64.0688 173.9249 87 Y 4.3441 7.8533 124.8828 56.4901 39.7732 175.0885 88 E 4.4865 7.3594 122.1975 54.7259 32.9214 174.0756 89 N 4.9462 8.0856 116.1319 52.9081 39.5623 174.7766 90 L 4.1955 7.7622 116.8941 54.6389 42.7488 177.2679 91 Y 4.3738 8.8564 124.1403 60.0159 39.0843 176.0123 92 E 4.5904 7.7986 116.6818 53.3146 32.8266 173.9595 93 P 4.2501 0.0000 0.0000 62.8484 31.9793 175.3464 94 Y 4.3939 8.4255 123.1124 56.1843 39.1044 174.8584 95 I 4.2557 7.4654 127.9791 58.9901 39.6373 175.7415 96 R 3.7701 8.3086 125.2772 56.1064 30.5827 176.3794 97 K 4.4788 8.8122 122.0840 55.0221 35.4415 174.6742 98 C 5.2052 8.5386 118.1930 58.0265 32.4669 173.0071 99 F 5.5123 9.1877 118.1397 56.1612 41.7284 175.5381 100 V 5.0815 8.9884 116.7776 60.0402 34.4360 175.1116 101 V 5.2423 8.7339 122.6740 60.8097 33.7777 174.9290 102 Q 4.9480 9.3780 120.8619 52.5702 33.6672 172.6185 103 P 4.6763 0.0000 0.0000 63.1757 32.0010 176.8353 *104 W 4.6247 8.9071 124.7553 56.2269 31.8030 173.9901 *105 E 3.7491 9.9698 122.9632 55.9060 26.2482 172.8753 106 G 4.0956 8.2772 111.2694 46.1051 0.0000 173.1602 *107 K 4.7401 7.4824 121.3751 52.8680 34.2720 179.8370 108 S 5.5507 8.6353 108.6331 58.5137 66.4320 173.3679 109 K 4.7326 9.2584 118.8192 54.5180 36.4257 175.1522 110 W 5.7478 8.5064 121.6745 55.7063 30.8373 175.2615 111 Y 4.9506 9.6469 122.6833 55.7538 40.7032 175.5472 112 K 3.9425 8.7819 122.6722 56.6140 33.0183 176.1125 113 A 4.7200 8.8970 124.6244 50.0648 23.5231 174.9645 114 D 4.6548 8.7981 119.5943 54.7333 41.8762 177.3670 115 C 4.0633 9.0643 123.6029 62.2352 28.3582 174.8263 116 E 4.4718 8.2356 117.3326 56.4313 29.8454 176.0676 117 E 4.2280 8.2352 121.8318 56.2618 30.9630 175.6220 118 K 4.8463 8.6610 125.8232 55.9149 33.2236 175.7906 119 N 5.0856 9.5164 121.2266 50.9223 43.6942 173.7614 120 A 4.7964 8.4981 122.4070 53.0301 19.9306 176.0871 121 F 5.4376 8.7745 112.5986 56.0084 42.1123 173.1551 122 L 5.1969 8.8457 119.6058 53.3487 44.4740 175.1547 123 C 5.6533 9.4392 121.6630 55.4201 44.4201 172.8405 124 K 5.4385 9.3356 122.4863 54.9793 35.7835 174.9058 125 F 5.5220 8.8117 120.0656 54.5684 41.6747 171.7650 126 P 4.8160 0.0000 0.0000 62.5650 31.8691 176.3139 127 K 3.6729 8.4467 125.6625 57.3965 32.8966 176.1010 128 P 3.9978 0.0000 0.0000 62.2198 30.8501 173.6772 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 F 8.32 4.88 0.00 3.03 2.99 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 3 R 7.13 4.01 0.00 1.67 1.49 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 4 C 8.48 4.51 0.00 3.09 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 5 P 0.00 4.48 0.00 2.29 2.16 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 6 T 8.35 3.98 4.32 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 1.26 0.00 0.00 7 T 9.08 3.52 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 1.24 0.00 0.00 8 W 8.17 4.85 0.00 3.37 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 9 S 9.56 5.01 0.00 3.83 3.85 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 0.00 0.00 0.00 10 A 8.85 5.30 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 11 S 8.81 4.33 0.00 3.62 3.29 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 12 K 8.62 3.94 0.00 1.69 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.44 7.81 13 L 7.37 4.40 0.00 0.81 0.84 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.69 5.16 0.00 2.57 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 0.00 0.00 0.00 0.00 15 C 8.61 5.51 0.00 1.23 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 16 Y 9.41 5.64 0.00 2.92 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 17 K 8.72 4.34 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.43 7.81 18 P 0.00 4.83 0.00 1.58 1.51 0.00 3.24 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 19 F 8.60 4.52 0.00 1.51 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 0.00 0.00 0.00 0.00 20 K 8.81 4.06 0.00 1.71 1.79 0.00 1.51 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.28 1.15 7.81 21 E 8.06 4.05 0.00 2.11 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 2.33 2.23 0.00 22 K 8.56 4.61 0.00 1.70 1.83 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 9.37 5.02 0.00 1.42 1.45 0.00 0.89 0.00 0.00 1.44 0.00 0.00 2.59 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.29 1.37 7.81 24 T 8.69 4.89 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 1.36 0.00 0.00 25 W 8.52 2.81 0.00 1.91 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 26 I 7.71 3.57 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.29 0.91 0.00 0.00 27 E 7.86 3.87 0.00 2.15 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 0.00 2.41 2.18 0.00 28 A 7.50 2.86 0.72 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 0.00 0.00 29 E 7.35 3.48 0.00 1.16 1.44 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 2.00 2.20 0.00 30 R 7.96 3.84 0.00 1.94 1.89 0.00 3.14 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 F 8.10 3.89 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.60 4.67 0.00 3.19 3.37 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 33 A 7.72 4.33 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.72 3.97 0.00 1.61 1.65 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.45 7.81 35 Q 7.64 4.06 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 36 A 6.92 3.88 -0.02 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 37 E 8.45 3.91 0.00 1.81 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 2.23 2.28 0.00 38 N 8.93 4.30 0.00 2.95 2.99 0.00 0.00 7.10 7.65 0.00 0.00 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 G 7.70 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 0.00 0.00 0.00 40 H 9.31 5.31 0.00 3.18 3.18 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.68 4.65 0.00 1.58 1.69 -0.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.85 3.95 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 0.96 0.00 0.00 1.11 0.00 0.00 43 S 8.60 4.91 0.00 3.95 3.85 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 0.00 0.00 0.00 44 I 8.16 4.58 2.02 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 1.40 0.57 1.22 0.00 0.00 45 G 8.94 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 0.00 0.00 0.00 46 S 7.55 4.60 0.00 4.05 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 47 A 8.50 3.99 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 48 A 7.99 3.97 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 49 E 8.34 3.93 0.00 2.16 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 0.00 2.42 2.44 0.00 50 A 8.40 4.17 1.52 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 0.00 0.00 51 D 8.48 4.33 0.00 2.91 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 52 F 8.51 3.84 0.00 3.21 3.11 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 53 L 8.45 3.68 0.00 1.79 1.81 0.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.17 4.26 0.00 2.89 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 55 L 7.62 3.77 0.00 1.37 1.41 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.20 3.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.41 0.00 0.00 57 I 7.30 2.95 1.52 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.11 -0.05 0.00 0.00 58 V 7.38 3.58 1.97 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 0.76 0.00 0.00 0.92 0.00 0.00 59 V 7.79 3.60 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 0.78 0.00 0.00 0.84 0.00 0.00 60 N 7.34 4.45 0.00 2.16 2.38 0.00 0.00 6.92 8.23 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 61 F 8.57 5.29 0.00 2.92 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.99 0.00 1.85 1.79 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 66 Y 7.49 5.01 0.00 3.22 3.26 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 67 R 8.58 5.01 0.00 1.65 1.69 0.00 3.34 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 68 A 8.97 4.95 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 69 W 9.52 5.04 0.00 3.39 3.12 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 70 T 9.14 4.73 4.16 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 1.15 0.00 0.00 71 G 9.00 4.12 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 0.00 72 L 8.04 4.63 0.00 1.62 1.55 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.25 5.13 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 0.05 0.00 0.00 74 E 8.64 4.51 0.00 1.83 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 2.51 2.57 0.00 75 R 8.49 4.32 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 76 N 8.40 4.71 0.00 2.60 2.72 0.00 0.00 6.97 7.85 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 77 L 8.09 3.87 0.00 1.16 1.07 0.43 -0.08 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 78 K 7.96 4.72 0.00 1.64 1.57 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 79 W 8.95 4.49 0.00 3.63 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 80 T 8.73 3.93 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 1.28 0.00 0.00 81 N 8.25 4.55 0.00 2.86 2.97 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.42 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 83 A 8.32 4.26 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 84 S 8.54 4.39 0.00 3.94 3.85 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 0.00 0.00 0.00 85 V 7.52 4.00 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 0.61 0.00 0.00 0.05 0.00 0.00 86 S 7.94 4.42 0.00 4.12 3.92 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 87 Y 7.85 4.34 0.00 3.03 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 88 E 7.36 4.49 0.00 1.88 1.67 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 1.97 2.18 0.00 89 N 8.09 4.95 0.00 2.74 2.84 0.00 0.00 7.05 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.76 4.20 0.00 1.65 1.77 0.88 0.85 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 91 Y 8.86 4.37 0.00 2.86 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 92 E 7.80 4.59 0.00 1.97 1.73 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 1.82 1.84 0.00 93 P 0.00 4.25 0.00 1.99 1.95 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 94 Y 8.43 4.39 0.00 2.84 2.84 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 95 I 7.47 4.26 1.70 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 1.33 0.70 0.79 0.00 0.00 96 R 8.31 3.77 0.00 1.64 1.70 0.00 3.27 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 97 K 8.81 4.48 0.00 1.33 1.64 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.36 7.81 98 C 8.54 5.21 0.00 2.51 2.30 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 99 F 9.19 5.51 0.00 3.11 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 0.00 100 V 8.99 5.08 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 0.02 0.00 0.00 0.95 0.00 0.00 101 V 8.73 5.24 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 0.99 0.00 0.00 1.38 0.00 0.00 102 Q 9.38 4.95 0.00 1.76 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 103 P 0.00 4.68 0.00 2.06 1.84 0.00 3.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.39 0.00 *104 W 8.91 4.62 0.00 2.48 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 0.00 0.00 0.00 0.00 *105 E 9.97 3.75 0.00 1.95 1.92 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 2.24 1.86 0.00 106 G 8.28 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 0.00 0.00 0.00 0.00 *107 K 7.48 4.74 0.00 1.64 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.22 7.81 108 S 8.64 5.55 0.00 4.37 4.18 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 0.00 0.00 0.00 0.00 109 K 9.26 4.73 0.00 1.77 1.41 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.51 7.81 110 W 8.51 5.75 0.00 3.26 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 0.00 111 Y 9.65 4.95 0.00 2.91 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 0.00 112 K 8.78 3.94 0.00 1.54 1.53 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.76 1.20 7.81 113 A 8.90 4.72 1.23 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 0.00 114 D 8.80 4.65 0.00 2.76 2.64 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 0.00 115 C 9.06 4.06 0.00 2.94 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 0.00 116 E 8.24 4.47 0.00 2.02 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 2.29 2.38 0.00 117 E 8.24 4.23 0.00 2.23 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 0.00 2.29 2.31 0.00 118 K 8.66 4.85 0.00 1.73 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.52 7.81 119 N 9.52 5.09 0.00 1.53 2.23 0.00 0.00 6.47 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.50 4.80 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 0.00 121 F 8.77 5.44 0.00 3.25 3.36 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 0.00 122 L 8.85 5.20 0.00 1.66 1.66 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 123 C 9.44 5.65 0.00 3.25 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 0.00 124 K 9.34 5.44 0.00 1.77 1.60 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.55 7.81 125 F 8.81 5.52 0.00 2.95 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 0.00 126 P 0.00 4.82 0.00 2.04 2.16 0.00 4.03 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 127 K 8.45 3.67 0.00 1.35 1.29 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.37 7.81 128 P 0.00 4.00 0.00 2.16 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.