NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 P 4.3224 0.0000 0.0000 60.9231 33.6801 176.0708 -1 F 4.4570 8.5927 117.0026 54.4071 40.0157 173.8744 0 T 4.4828 8.4724 112.3885 59.7268 71.4266 173.2054 0 L 4.4728 8.4824 120.5885 53.0268 44.0266 176.1054 3 H 4.9468 8.4241 116.1003 54.8028 32.7284 172.9825 4 I 4.2217 8.4323 124.1687 58.9627 40.4900 173.6582 5 E 4.6916 8.4832 130.5870 55.3264 30.8580 174.7047 6 F 5.5099 9.1317 126.0254 55.9990 42.6477 174.5242 7 I 4.7527 8.7067 122.3133 60.3457 39.4715 176.1866 8 T 3.4971 7.9845 123.9934 61.6018 70.2314 175.5836 9 D 4.3511 8.1901 121.1550 56.2462 39.2108 176.9433 10 L 4.3830 7.8203 118.7714 54.2604 41.7252 177.7272 11 G 3.9100 7.7870 104.9180 45.8394 0.0000 174.5347 12 A 4.1398 7.0710 121.5593 51.4104 19.9579 177.2373 13 K 4.5130 8.4052 121.8722 55.3257 33.0123 176.2454 14 V 4.4641 8.5690 127.8557 61.6634 35.0325 173.6615 15 T 4.9903 8.7045 124.3034 61.8289 70.8115 173.6779 16 V 4.4043 8.3966 126.4179 61.0721 33.4841 174.9200 17 D 4.9793 8.8086 127.6729 54.5175 40.5488 175.8596 18 V 4.3968 8.0053 120.1963 61.1417 34.4334 176.1358 19 E 4.1260 9.2619 127.5398 59.3027 29.7525 176.8571 20 S 4.5083 7.2569 108.3502 57.4416 65.9368 177.1092 21 A 3.9597 8.1825 123.8131 55.1229 18.1335 178.8603 22 D 4.6704 8.0572 112.7490 54.3499 40.1389 177.3256 23 K 4.4382 8.1710 119.4593 56.4168 33.0094 177.6044 24 L 3.9906 7.6164 122.0361 58.2541 42.0484 178.8386 25 L 4.0337 7.8814 118.2668 57.9115 41.7588 178.8882 26 D 4.3759 8.1367 118.3657 57.5160 40.8750 179.0499 27 V 3.7454 7.8212 118.2776 66.0759 31.5713 178.0488 28 Q 4.3225 8.2979 117.8892 59.2106 28.5552 179.1965 29 R 3.9106 8.0231 118.9118 59.0678 29.5411 178.7726 30 Q 3.7570 7.9469 119.0750 59.3391 29.1412 177.6066 31 Y 3.8156 7.7867 115.4595 58.6278 38.0826 178.0856 32 G 3.6631 8.1092 110.3099 48.5133 0.0000 176.6114 33 R 4.1392 7.8144 118.8325 58.7900 29.3978 179.1405 34 L 4.2296 6.9953 111.4325 55.1359 41.7847 177.7707 35 G 4.0600 8.5670 107.8501 44.9098 0.0000 173.9462 36 W 4.6838 8.1340 119.6692 56.7862 29.6760 175.7829 37 T 5.0026 8.9405 112.9260 60.0000 71.9342 172.6479 38 S 4.9461 8.4082 117.2576 57.0950 64.6188 174.6584 39 G 3.8633 8.9984 116.3126 44.8187 0.0000 171.5004 40 E 4.6942 8.1947 116.8220 54.0983 31.8106 176.1251 41 V 3.2617 8.0765 121.4368 61.8710 32.2675 174.4820 42 P 4.2811 0.0000 0.0000 61.9861 31.9207 175.5657 43 V 3.8244 7.9505 120.2645 64.1697 31.6033 176.3819 44 G 3.7708 8.5500 116.5024 44.6916 0.0000 173.4590 45 G 3.7383 7.4547 104.6338 44.3433 0.0000 172.6307 46 Y 3.9681 7.8940 116.3252 58.0720 38.5104 176.9434 47 Q 4.3384 8.2354 121.0337 54.4108 30.6140 175.0319 48 F 5.1762 7.9959 122.5424 54.9311 42.1631 173.8993 49 P 4.6984 0.0000 0.0000 62.8554 31.9127 178.5812 50 L 4.0855 8.2213 125.5375 59.7032 40.9066 178.8165 51 E 4.3533 8.2309 118.7658 59.5628 29.0566 178.9015 52 N 4.6119 8.1993 117.6250 55.8959 38.3012 177.6431 53 E 4.3899 7.7892 119.9771 60.2535 29.8707 182.5471 54 P 4.8380 0.0000 0.0000 64.2997 32.7422 176.3962 55 D 4.7749 7.6196 118.5895 50.7342 39.0960 173.0323 56 F 4.2847 8.0133 127.8453 56.8489 41.7442 175.2016 57 D 4.3907 6.4749 126.0424 52.3503 39.8684 176.8559 58 W 4.6943 8.4152 126.9292 58.6549 29.7013 178.9092 59 S 4.2708 8.4666 113.9873 60.9713 62.5950 176.3362 60 L 4.0355 7.4695 120.2917 56.9783 41.4036 177.7969 61 I 4.6212 7.7982 108.9363 60.1810 38.2900 175.3312 62 G 3.8865 8.6468 107.5821 46.6656 0.0000 173.3128 63 A 5.3058 8.0057 121.4290 49.4574 22.5719 177.2495 64 R 4.8184 8.3506 119.8695 55.7461 34.3571 175.5815 65 K 4.5603 8.7595 126.3282 54.9720 33.1504 178.2250 *66 W 4.7309 8.2705 127.7031 55.1386 30.8278 172.1171 67 T 4.8301 8.5982 126.0886 62.9040 68.9397 175.3232 68 N 4.4343 8.6502 123.2036 51.5461 38.8678 171.1647 69 P 4.6289 0.0000 0.0000 62.6160 30.0948 175.0475 70 E 4.6250 7.2372 112.6541 55.9745 34.4123 177.7798 71 G 3.9651 8.3626 106.6547 46.2173 0.0000 173.7470 72 E 4.5274 7.8333 121.5998 54.8990 32.5018 174.7449 73 E 5.0129 8.4528 123.6250 54.5945 32.2243 172.1476 *75 I 3.8671 8.1981 123.4020 61.9040 38.9712 175.0976 76 L 5.1725 8.6204 129.9822 53.6509 42.2168 171.7820 77 H 4.8163 8.8969 123.8992 54.2320 32.0399 173.4039 78 R 3.8696 9.3500 127.4114 57.7636 27.9568 176.5751 79 G 4.0297 8.3185 100.6800 46.3518 0.0000 173.6201 80 H 4.6671 7.9556 114.4449 54.2859 33.7062 173.2575 81 A 4.7361 8.1921 126.0454 51.0764 20.0752 176.0972 82 Y 4.7967 8.3517 122.2190 56.6706 41.2320 176.0993 83 R 4.7283 8.4395 122.0225 54.8143 33.4645 174.2215 84 R 4.3283 8.7447 126.5621 56.3702 30.8069 177.1271 85 R 4.5802 8.7732 126.2449 55.0845 32.0578 170.7100 86 E 4.5693 8.7035 125.9994 55.4203 31.1422 175.2597 87 L 4.8710 9.0684 128.1125 53.8271 45.6316 175.6495 88 E 4.9005 8.8174 120.9916 53.9709 31.6708 173.9808 89 A 4.9606 8.2875 126.4693 49.8419 22.3042 175.4767 90 V 4.9691 7.8879 122.5683 59.9700 34.7526 174.6714 91 D 4.5760 7.7176 119.7627 53.8148 43.9673 175.1430 92 S 5.1423 8.5283 116.7446 58.2664 66.8406 174.4863 93 R 5.1444 8.3446 123.0753 55.5102 33.8370 173.1057 94 K 5.8887 9.1846 123.8093 52.8698 34.5334 176.1314 *96 K 4.1042 8.6256 125.0442 56.6890 33.6213 176.1724 97 L 4.1012 8.1081 120.0053 53.6989 41.3800 176.6387 98 P 4.5361 0.0000 0.0000 61.6920 32.0037 175.3916 99 A 4.7868 8.0463 121.1965 49.9589 22.2324 177.2831 100 A 3.9137 8.6323 122.5715 55.4220 18.7802 179.9867 101 V 3.7186 7.9723 110.4598 64.8382 31.8410 178.0945 102 K 4.0812 7.4883 123.0975 55.3105 32.0567 179.0003 *103 Y 4.2430 8.5969 122.9324 58.8138 37.1363 173.8244 104 S 4.7392 7.5270 115.7625 58.0085 67.7845 173.8321 105 R 4.4988 8.4376 123.3799 55.7769 29.1187 179.1021 *108 K 4.2372 8.1856 118.5571 55.7814 31.8850 171.9872 109 N 5.3412 8.1444 121.1276 50.3159 40.1957 175.0910 110 T 3.8668 8.5128 119.5651 65.4178 68.3511 173.9939 111 D 5.1382 7.6128 119.0691 52.5788 44.6013 174.1026 112 P 5.8500 0.0000 0.0000 60.9859 34.8709 172.8476 113 E 4.7192 8.9589 125.6772 56.2066 31.0390 176.6247 *114 H 5.3851 7.9415 124.4216 53.1309 30.0603 171.9563 115 V 4.1263 7.4187 123.3250 61.9381 37.0630 172.3112 116 R 4.5974 9.0874 119.9579 58.6260 30.2677 172.8135 117 E 3.6379 7.7066 109.7184 54.7786 30.1717 174.2612 118 K 4.1723 8.5601 123.5593 55.1230 32.9732 176.8540 119 A 3.8668 8.4671 127.6727 51.4859 19.0681 176.4106 120 D 4.3924 8.4650 120.6554 52.7951 39.5774 177.7258 121 G 3.7788 8.5526 106.5057 47.3510 0.0000 175.2444 122 E 3.9142 10.3578 118.1942 59.4949 29.7544 178.8470 123 F 4.2846 8.1756 120.6592 60.3918 39.1717 176.1069 124 E 4.6081 7.8761 120.0631 55.9721 30.5007 181.3117 *125 Y 3.9307 8.2136 120.8495 58.1432 37.2650 177.8799 126 V 3.6177 8.4691 118.2288 61.8839 32.5051 176.5650 127 T 3.6915 8.4533 113.1722 62.2895 69.8278 171.7307 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 P 0.00 4.32 0.00 2.79 2.25 0.00 3.76 0.00 0.00 3.71 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 -1 F 8.59 4.46 0.00 3.08 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 0 T 8.47 4.48 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 1.29 0.00 0.00 0 L 8.48 4.47 0.00 1.71 1.45 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.42 4.95 0.00 2.95 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.43 4.22 1.70 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 1.10 0.74 0.00 0.00 5 E 8.48 4.69 0.00 2.02 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 2.30 2.30 0.00 6 F 9.13 5.51 0.00 3.15 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 7 I 8.71 4.75 1.90 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 1.25 0.90 0.86 0.00 0.00 8 T 7.98 3.50 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 0.89 0.00 0.00 9 D 8.19 4.35 0.00 2.84 2.95 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 10 L 7.82 4.38 0.00 1.65 1.65 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.79 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.07 4.14 1.09 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 13 K 8.41 4.51 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 14 V 8.57 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 1.13 0.00 0.00 0.82 0.00 0.00 15 T 8.70 4.99 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 16 V 8.40 4.40 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 1.03 0.00 0.00 0.81 0.00 0.00 17 D 8.81 4.98 0.00 2.62 2.60 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 0.00 0.00 0.00 18 V 8.01 4.40 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 1.06 0.00 0.00 0.94 0.00 0.00 19 E 9.26 4.13 0.00 1.99 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 2.28 2.29 0.00 20 S 7.26 4.51 0.00 3.90 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 21 A 8.18 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 22 D 8.06 4.67 0.00 2.80 2.79 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 23 K 8.17 4.44 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.41 7.81 24 L 7.62 3.99 0.00 1.72 1.81 0.93 0.60 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 25 L 7.88 4.03 0.00 1.74 1.70 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.14 4.38 0.00 2.83 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 27 V 7.82 3.75 2.33 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 1.31 0.00 0.00 1.06 0.00 0.00 28 Q 8.30 4.32 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 29 R 8.02 3.91 0.00 1.99 1.93 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 30 Q 7.95 3.76 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.96 1.55 0.00 31 Y 7.79 3.82 0.00 2.24 1.86 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 32 G 8.11 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 33 R 7.81 4.14 0.00 1.85 1.88 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 34 L 7.00 4.23 0.00 1.41 1.67 0.29 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.57 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 36 W 8.13 4.68 0.00 2.88 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 37 T 8.94 5.00 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 38 S 8.41 4.95 0.00 3.85 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 39 G 9.00 3.86 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 0.00 0.00 0.00 40 E 8.19 4.69 0.00 1.93 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 2.23 2.20 0.00 41 V 8.08 3.26 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 0.41 0.00 0.00 0.95 0.00 0.00 42 P 0.00 4.28 0.00 2.01 1.81 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 43 V 7.95 3.82 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 0.74 0.00 0.00 0.88 0.00 0.00 44 G 8.55 3.77 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 0.00 0.00 0.00 45 G 7.45 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.89 3.97 0.00 2.35 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 0.00 0.00 0.00 47 Q 8.24 4.34 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 48 F 8.00 5.18 0.00 3.08 2.95 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 49 P 0.00 4.70 0.00 2.28 2.46 0.00 3.98 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 50 L 8.22 4.09 0.00 1.74 1.59 0.92 1.19 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 51 E 8.23 4.35 0.00 1.99 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 2.42 2.37 0.00 52 N 8.20 4.61 0.00 3.01 3.00 0.00 0.00 7.20 8.48 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 53 E 7.79 4.39 0.00 2.03 1.86 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 2.26 2.22 0.00 54 P 0.00 4.84 0.00 2.03 2.16 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 55 D 7.62 4.77 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 4.28 0.00 2.64 2.07 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 0.00 57 D 6.47 4.39 0.00 2.53 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 0.00 0.00 0.00 58 W 8.42 4.69 0.00 3.54 3.30 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 59 S 8.47 4.27 0.00 4.03 4.15 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 60 L 7.47 4.04 0.00 1.41 1.64 0.45 0.48 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 61 I 7.80 4.62 1.97 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 1.50 1.01 0.55 0.00 0.00 62 G 8.65 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 0.00 0.00 0.00 63 A 8.01 5.31 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 64 R 8.35 4.82 0.00 1.44 1.72 0.00 3.24 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 65 K 8.76 4.56 0.00 1.53 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.00 7.81 *66 W 8.27 4.73 0.00 2.22 2.07 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 0.00 67 T 8.60 4.83 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 1.27 0.00 0.00 68 N 8.65 4.43 0.00 2.74 2.61 0.00 0.00 6.85 7.75 0.00 0.00 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 P 0.00 4.63 0.00 2.16 2.13 0.00 3.76 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 1.97 1.95 0.00 70 E 7.24 4.63 0.00 1.96 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 2.12 1.85 0.00 71 G 8.36 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 72 E 7.83 4.53 0.00 1.96 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 2.25 2.25 0.00 73 E 8.45 5.01 0.00 1.79 1.70 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 2.17 1.74 0.00 *75 I 8.20 3.87 1.59 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.48 0.17 0.00 0.00 76 L 8.62 5.17 0.00 1.32 1.55 0.92 0.59 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 77 H 8.90 4.82 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.35 3.87 0.00 2.13 2.08 0.00 3.47 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 79 G 8.32 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 80 H 7.96 4.67 0.00 3.75 2.85 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.19 4.74 1.14 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 0.00 0.00 82 Y 8.35 4.80 0.00 2.89 2.79 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 83 R 8.44 4.73 0.00 1.46 1.74 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 84 R 8.74 4.33 0.00 1.86 1.90 0.00 3.20 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 85 R 8.77 4.58 0.00 1.50 1.75 0.00 3.32 0.00 0.00 3.09 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 86 E 8.70 4.57 0.00 2.00 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 0.00 2.31 2.45 0.00 87 L 9.07 4.87 0.00 1.73 1.45 0.93 1.36 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 88 E 8.82 4.90 0.00 2.00 1.70 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 2.13 1.84 0.00 89 A 8.29 4.96 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 90 V 7.89 4.97 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 1.14 0.00 0.00 1.00 0.00 0.00 91 D 7.72 4.58 0.00 2.33 2.50 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 92 S 8.53 5.14 0.00 3.80 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 93 R 8.34 5.14 0.00 1.48 1.72 0.00 3.23 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 94 K 9.18 5.89 0.00 1.68 1.75 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.52 7.81 *96 K 8.63 4.10 0.00 1.64 1.32 0.00 1.42 0.00 0.00 1.19 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.35 7.81 97 L 8.11 4.10 0.00 1.69 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.54 0.00 2.03 2.01 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 99 A 8.05 4.79 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 0.00 100 A 8.63 3.91 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 0.00 101 V 7.97 3.72 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 0.70 0.00 0.00 0.96 0.00 0.00 102 K 7.49 4.08 0.00 1.82 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *103 Y 8.60 4.24 0.00 2.32 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 0.00 104 S 7.53 4.74 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 0.00 105 R 8.44 4.50 0.00 1.92 1.58 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.00 *108 K 8.19 4.24 0.00 1.79 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 109 N 8.14 5.34 0.00 2.95 2.84 0.00 0.00 6.25 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 0.00 110 T 8.51 3.87 3.63 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 1.27 0.00 0.00 111 D 7.61 5.14 0.00 2.35 2.44 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 0.00 112 P 0.00 5.85 0.00 2.06 2.14 0.00 4.11 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 113 E 8.96 4.72 0.00 2.04 2.07 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 2.46 2.52 0.00 *114 H 7.94 5.39 0.00 2.69 2.81 0.00 7.32 0.00 0.00 0.00 0.00 6.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.42 4.13 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 0.60 0.00 0.00 0.93 0.00 0.00 116 R 9.09 4.60 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 117 E 7.71 3.64 0.00 2.01 1.75 0.00 0.00 0.00 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 1.93 0.00 118 K 8.56 4.17 0.00 1.87 1.88 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.40 7.81 119 A 8.47 3.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.39 0.00 2.83 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 0.00 121 G 8.55 3.78 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 0.00 0.00 0.00 122 E 10.36 3.91 0.00 2.09 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 2.00 2.41 0.00 123 F 8.18 4.28 0.00 3.10 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 0.00 124 E 7.88 4.61 0.00 1.75 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 2.26 1.98 0.00 *125 Y 8.21 3.93 0.00 2.09 2.14 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 0.00 126 V 8.47 3.62 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 0.79 0.00 0.00 0.89 0.00 0.00 127 T 8.45 3.69 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.