NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1921 8.3144 121.7892 56.3081 33.3979 174.0127 2 E 4.3242 8.3525 121.7906 52.7830 30.6606 174.7064 3 T 4.2653 8.6117 118.7977 61.0516 72.2916 174.8815 4 A 3.9608 8.4490 122.2309 55.0566 18.3405 179.7707 5 A 4.0692 7.9584 118.7710 55.2928 18.5947 179.5017 6 A 4.1333 8.0856 119.3656 55.2305 18.3936 179.7727 7 K 4.0170 8.3959 118.4104 59.4742 32.2262 178.6874 8 F 4.0344 8.3751 120.9507 61.3919 39.2903 176.9283 9 E 4.0147 8.3171 117.9786 59.4899 29.0918 179.3568 10 R 3.8811 7.8466 117.2684 59.6736 30.2563 178.2946 11 Q 4.0014 7.9920 116.4840 58.0942 28.9947 176.3619 12 H 4.7191 8.0013 114.1886 54.0549 31.7077 173.3561 13 M 4.6400 8.0825 118.7316 54.3047 33.1268 176.5888 14 D 4.7056 9.1252 123.1590 52.3737 42.0453 175.3179 15 S 4.3252 8.1310 119.8990 58.4435 63.5840 174.5313 *24 N 4.5820 7.9619 117.1764 52.5703 39.4121 173.2775 25 Y 3.9900 8.4834 121.3350 61.3203 38.6541 179.2766 26 C 4.1300 8.0415 116.5122 59.9709 35.5894 175.8080 27 N 4.3637 8.9338 118.4672 56.4703 38.0761 177.5253 28 Q 3.8913 8.1138 119.4508 59.2255 28.7718 178.5210 29 M 3.6946 7.7791 119.2386 58.3291 31.9945 178.1497 30 M 4.0638 8.0883 119.4932 57.8811 32.0078 178.6851 31 K 3.9818 7.6320 121.2682 59.1965 32.2933 179.0526 32 S 4.0714 7.9555 114.1433 61.6828 62.8463 175.5359 33 R 4.2959 8.0903 116.9748 55.5276 29.6765 175.6856 34 N 4.1893 7.9112 114.8363 54.8469 37.6981 175.0408 35 L 4.4349 8.2691 118.1068 55.5214 43.0057 178.0652 36 T 5.5787 7.5522 106.1516 60.4280 69.2174 175.9098 37 K 4.2605 8.3219 123.9916 59.1783 32.3119 177.4695 38 D 4.8366 7.6587 115.0783 51.9682 40.1763 174.6489 39 R 3.8085 7.2469 115.1468 56.5688 31.3200 173.4618 40 C 5.2535 8.7316 115.6442 54.9485 41.6479 173.8059 41 K 4.3985 8.3488 126.2310 55.1773 32.7836 174.7408 42 P 5.0025 0.0000 0.0000 64.7321 32.1852 176.5744 43 V 5.1129 7.5646 115.8002 60.4037 34.6765 174.0808 44 N 4.7620 8.9078 119.0352 52.8818 42.4553 172.9833 45 T 4.7870 7.9052 120.3509 61.6279 71.7752 172.8726 46 F 4.9517 8.9147 124.3206 55.6219 42.1732 174.5026 47 V 4.6070 8.8619 123.1866 61.0792 33.4378 175.6839 48 H 5.6256 8.7267 128.0872 53.9032 26.2670 173.3858 49 E 4.8118 7.6947 117.6801 53.3146 34.5927 176.5980 50 S 4.3653 8.3705 115.0770 58.2091 65.0738 174.9748 51 L 4.0032 8.0209 125.0610 58.5259 41.8956 179.5086 52 A 4.4060 7.8944 121.4606 54.7013 18.1324 179.1913 53 D 4.3613 7.8564 116.4386 57.2874 41.1387 178.7625 54 V 3.8237 7.7952 118.5438 65.9597 31.3738 178.1268 55 Q 3.9431 8.6524 118.0423 58.7835 28.6036 178.6041 56 A 4.1101 8.1964 121.6025 54.6723 18.2551 179.6531 57 V 3.5508 7.6419 116.9003 65.8316 31.3138 176.8414 58 C 4.0067 7.7858 114.5441 57.8320 39.9163 173.9823 59 S 4.6700 7.4479 114.5171 58.0028 63.9035 174.7919 60 Q 4.3301 7.4424 122.1043 56.4599 27.4071 177.8911 61 K 4.2461 8.2944 131.8810 56.7659 32.8867 174.8480 62 N 4.3843 8.7327 127.2392 53.4881 39.8416 174.2455 63 V 4.5716 8.2768 117.9022 59.3060 36.9555 174.4901 64 A 4.3085 8.3444 124.7071 52.0934 19.1494 178.5497 65 C 4.5632 9.2122 119.8561 56.1041 41.1399 174.9922 66 K 3.7762 8.4736 121.5792 59.9901 31.6487 177.9867 67 N 4.4792 8.0211 112.6027 53.2539 37.5124 175.8468 68 G 3.9261 8.4643 108.6623 45.6059 0.0000 174.0848 69 Q 4.2842 8.5968 119.6039 56.0424 29.3985 176.2397 70 T 4.6236 8.2986 107.6106 61.6367 69.1153 173.8611 71 N 5.0638 7.9857 118.3247 53.9992 38.4082 174.7623 72 C 5.3918 7.5061 114.7082 56.7811 43.2076 172.9126 73 Y 5.0265 8.8004 118.3309 56.4511 42.2384 173.7772 74 Q 5.1436 9.0364 125.5239 54.0161 31.3494 174.9394 75 S 4.3559 8.6593 121.7752 58.5580 63.2623 174.2570 76 Y 4.4092 8.9055 121.2398 60.5217 37.8577 176.5240 77 S 5.0543 7.8366 112.3997 56.4367 65.7917 174.2106 78 T 4.2556 8.2382 110.5288 61.8951 69.7921 173.6408 79 M 5.0310 9.0282 121.6676 53.3760 37.0865 174.6162 80 S 4.9913 9.4014 116.7817 57.8273 63.6110 173.0913 81 I 5.1995 9.0681 120.3082 59.5429 41.5758 174.0699 82 T 5.1036 9.0434 120.4523 61.9658 71.3525 172.5378 83 D 4.9857 9.3547 126.9118 53.1721 43.4658 174.2214 84 C 5.5289 9.1381 123.1216 55.2215 39.8463 172.8265 85 R 5.3036 9.1620 124.3479 54.1274 32.9278 174.4396 86 E 4.1344 9.2880 126.7109 56.5350 30.7577 177.2619 87 T 4.2415 8.4791 114.0988 61.0073 69.6924 175.9432 88 G 3.6529 8.4526 111.1607 48.1192 0.0000 174.8658 89 S 4.3129 7.2955 113.3530 59.1837 63.6307 174.5676 90 S 4.2283 7.6057 116.9871 58.0114 62.8226 173.2148 91 K 4.5125 8.2756 126.2329 54.7536 35.2000 174.6870 92 Y 4.2707 8.7088 127.7539 57.4140 39.0884 174.1366 93 P 2.9700 0.0000 0.0000 63.5404 32.3107 176.3768 94 N 4.6218 7.9899 120.6906 52.1758 37.2371 174.3243 95 C 4.3978 7.7051 115.6071 57.1339 42.8401 173.7630 96 A 4.9037 8.5614 124.3548 50.5543 22.3195 174.6608 97 Y 5.0563 8.5277 117.4318 56.0659 42.2804 174.5373 98 K 4.6339 9.3476 123.8620 55.2448 34.6883 174.9599 99 T 5.0500 8.5659 123.4144 62.3521 70.4416 173.9248 100 T 4.5971 8.9874 123.5405 61.7564 71.5689 173.0085 101 Q 4.8902 8.7439 127.7216 55.4267 30.5602 174.1928 102 A 4.5941 8.6759 125.2913 51.3873 23.9442 174.7775 103 N 5.3543 8.6793 116.1048 51.7117 41.2288 174.2292 104 K 4.8738 9.1357 122.8624 54.7037 37.4326 175.6174 105 H 4.9463 8.8384 119.6124 55.8679 30.0232 174.6601 106 I 4.7469 8.5571 116.2485 59.4439 40.5903 174.4674 107 I 4.8961 8.2005 124.1959 59.6988 40.1494 175.0801 108 V 4.7848 8.5345 119.3729 59.3547 35.8296 174.3923 109 A 5.0148 8.5471 124.8038 50.9461 20.7860 175.6357 110 C 5.1549 8.7510 118.9099 55.3289 39.9207 173.2731 111 E 4.5791 8.5447 119.9620 56.1395 34.5098 175.4451 112 G 4.0931 9.7480 107.6526 44.9763 0.0000 171.7747 113 N 4.9967 8.1505 116.0143 50.7744 41.0048 172.2218 114 P 4.2947 0.0000 0.0000 62.7677 31.9247 175.6967 115 Y 4.6279 8.3654 121.7553 57.4787 38.6688 174.8059 116 V 4.4554 8.1562 119.6126 58.2807 36.4057 173.6425 117 P 4.3889 0.0000 0.0000 63.0339 30.9902 176.7223 118 V 4.3526 8.5045 116.0142 61.3104 34.1324 175.4889 119 H 5.1228 7.8070 116.4100 54.2082 33.5783 172.2632 120 F 4.8486 9.0354 124.3308 57.1659 39.3296 174.7095 121 D 4.5828 8.7869 127.7133 56.7283 41.9111 175.6178 122 A 4.5136 6.6115 117.4632 51.8282 22.4122 174.9686 123 S 5.2496 8.8574 114.1336 57.1144 66.5252 175.2752 124 V 4.1447 8.6512 115.6071 61.7839 32.2309 175.0648 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 K 8.31 4.19 0.00 1.73 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.35 4.32 0.00 2.04 1.83 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 2.22 2.37 0.00 3 T 8.61 4.27 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 1.22 0.00 0.00 4 A 8.45 3.96 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 5 A 7.96 4.07 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 6 A 8.09 4.13 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 7 K 8.40 4.02 0.00 1.91 2.01 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 F 8.38 4.03 0.00 3.10 3.20 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 0.00 9 E 8.32 4.01 0.00 2.29 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 2.49 2.67 0.00 10 R 7.85 3.88 0.00 1.81 1.94 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 11 Q 7.99 4.00 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 12 H 8.00 4.72 0.00 2.18 2.73 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.08 4.64 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 14 D 9.13 4.71 0.00 2.73 2.47 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 15 S 8.13 4.33 0.00 3.93 3.89 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 *24 N 7.96 4.58 0.00 3.09 3.04 0.00 0.00 5.74 7.57 0.00 0.00 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 Y 8.48 3.99 0.00 3.05 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 26 C 8.04 4.13 0.00 3.44 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 27 N 8.93 4.36 0.00 2.91 2.91 0.00 0.00 7.07 7.03 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 28 Q 8.11 3.89 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 29 M 7.78 3.69 0.00 1.00 0.88 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.07 0.00 30 M 8.09 4.06 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.49 0.00 31 K 7.63 3.98 0.00 1.91 1.91 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.38 7.81 32 S 7.96 4.07 0.00 3.77 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 33 R 8.09 4.30 0.00 1.95 2.09 0.00 3.60 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 34 N 7.91 4.19 0.00 2.84 2.85 0.00 0.00 7.01 7.32 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 35 L 8.27 4.43 0.00 1.74 1.64 0.77 0.79 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 36 T 7.55 5.58 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 1.37 0.00 0.00 37 K 8.32 4.26 0.00 1.81 1.96 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.56 7.81 38 D 7.66 4.84 0.00 2.62 2.68 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 0.00 0.00 0.00 0.00 39 R 7.25 3.81 0.00 1.85 1.87 0.00 2.90 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 40 C 8.73 5.25 0.00 3.02 3.18 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 41 K 8.35 4.40 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 42 P 0.00 5.00 0.00 2.14 2.10 0.00 3.90 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 43 V 7.56 5.11 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 0.72 0.00 0.00 0.97 0.00 0.00 44 N 8.91 4.76 0.00 2.61 2.28 0.00 0.00 7.15 6.58 0.00 0.00 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 T 7.91 4.79 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 0.80 0.00 0.00 46 F 8.91 4.95 0.00 2.97 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 47 V 8.86 4.61 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 1.17 0.00 0.00 1.07 0.00 0.00 48 H 8.73 5.63 0.00 3.02 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.69 4.81 0.00 1.95 1.84 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 2.26 2.28 0.00 50 S 8.37 4.37 0.00 4.07 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 51 L 8.02 4.00 0.00 1.72 1.75 1.08 1.28 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 52 A 7.89 4.41 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 53 D 7.86 4.36 0.00 2.86 2.78 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 0.00 0.00 0.00 0.00 54 V 7.80 3.82 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 1.24 0.00 0.00 1.04 0.00 0.00 55 Q 8.65 3.94 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 56 A 8.20 4.11 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 57 V 7.64 3.55 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 1.05 0.00 0.00 1.00 0.00 0.00 58 C 7.79 4.01 0.00 2.84 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 S 7.45 4.67 0.00 3.93 3.81 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 60 Q 7.44 4.33 0.00 1.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 61 K 8.29 4.25 0.00 1.77 1.75 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 62 N 8.73 4.38 0.00 2.68 2.61 0.00 0.00 7.00 7.71 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 63 V 8.28 4.57 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 0.75 0.00 0.00 0.80 0.00 0.00 64 A 8.34 4.31 1.19 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 0.00 0.00 65 C 9.21 4.56 0.00 3.23 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 66 K 8.47 3.78 0.00 1.70 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.60 7.81 67 N 8.02 4.48 0.00 2.82 2.92 0.00 0.00 6.17 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 68 G 8.46 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 69 Q 8.60 4.28 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 70 T 8.30 4.62 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 1.17 0.00 0.00 71 N 7.99 5.06 0.00 3.08 3.18 0.00 0.00 6.02 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 72 C 7.51 5.39 0.00 3.01 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 73 Y 8.80 5.03 0.00 2.83 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 74 Q 9.04 5.14 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 75 S 8.66 4.36 0.00 3.98 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 76 Y 8.91 4.41 0.00 3.05 2.98 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 77 S 7.84 5.05 0.00 3.89 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 78 T 8.24 4.26 4.17 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 1.00 0.00 0.00 79 M 9.03 5.03 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 S 9.40 4.99 0.00 3.94 3.90 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 81 I 9.07 5.20 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 1.03 0.00 0.00 82 T 9.04 5.10 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 D 9.35 4.99 0.00 2.77 2.56 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 84 C 9.14 5.53 0.00 2.90 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 85 R 9.16 5.30 0.00 1.89 1.79 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 86 E 9.29 4.13 0.00 2.00 1.72 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 1.99 1.75 0.00 87 T 8.48 4.24 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 1.17 0.00 0.00 88 G 8.45 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.30 4.31 0.00 4.06 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 90 S 7.61 4.23 0.00 3.79 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 91 K 8.28 4.51 0.00 1.81 1.56 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 Y 8.71 4.27 0.00 2.95 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 P 0.00 2.97 0.00 1.78 1.39 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 94 N 7.99 4.62 0.00 2.77 2.75 0.00 0.00 6.89 7.70 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 95 C 7.71 4.40 0.00 3.13 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 96 A 8.56 4.90 1.10 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 97 Y 8.53 5.06 0.00 2.87 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 98 K 9.35 4.63 0.00 1.81 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 99 T 8.57 5.05 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 1.32 0.00 0.00 100 T 8.99 4.60 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 1.24 0.00 0.00 101 Q 8.74 4.89 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 102 A 8.68 4.59 1.25 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 0.00 0.00 0.00 103 N 8.68 5.35 0.00 2.63 2.73 0.00 0.00 6.54 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 0.00 104 K 9.14 4.87 0.00 1.70 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 105 H 8.84 4.95 0.00 3.08 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.56 4.75 1.68 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 1.26 0.70 1.11 0.00 0.00 107 I 8.20 4.90 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.80 0.00 0.00 108 V 8.53 4.78 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 0.66 0.00 0.00 0.81 0.00 0.00 109 A 8.55 5.01 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 0.00 110 C 8.75 5.15 0.00 1.91 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 0.00 0.00 0.00 111 E 8.54 4.58 0.00 1.82 1.78 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 0.00 2.24 2.22 0.00 112 G 9.75 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.15 5.00 0.00 2.65 2.68 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.29 0.00 2.22 2.05 0.00 3.82 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 1.99 1.96 0.00 115 Y 8.37 4.63 0.00 2.81 2.87 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 0.00 116 V 8.16 4.46 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 0.67 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.39 0.00 0.49 1.19 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 118 V 8.50 4.35 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 0.63 0.00 0.00 0.96 0.00 0.00 119 H 7.81 5.12 0.00 3.06 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.04 4.85 0.00 2.86 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 0.00 121 D 8.79 4.58 0.00 2.62 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 0.00 122 A 6.61 4.51 1.19 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 0.00 0.00 123 S 8.86 5.25 0.00 3.85 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 0.00 124 V 8.65 4.14 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 0.61 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.