NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2948 8.2876 121.4683 56.0800 31.0582 175.8308 7 R 4.0402 8.7661 117.3148 57.0090 29.4011 173.5099 8 V 3.6125 8.0991 118.7789 65.5709 32.1065 178.3965 9 L 4.0786 7.7093 119.0483 58.0285 42.3122 178.3435 10 Q 4.1624 7.9769 117.6395 58.8394 28.6617 179.6489 11 A 4.7402 7.8955 119.3241 52.3785 18.2928 178.8904 *13 A 4.1893 8.0027 125.6999 53.7231 20.3230 179.5636 14 E 3.8836 8.1425 116.0480 59.6049 29.6955 178.1999 15 N 4.8874 8.4184 113.8787 52.8998 37.9840 176.3170 16 L 4.6560 7.5565 118.7605 53.6580 45.5918 177.9350 17 G 3.6658 7.6927 107.0040 46.3759 0.0000 176.6315 18 E 3.9845 9.0476 125.2780 57.8639 29.1426 177.0241 19 G 3.7290 7.8890 106.9966 45.3211 0.0000 173.1319 20 L 4.2651 7.6214 123.1187 53.8922 42.5763 175.1301 21 P 4.3346 0.0000 0.0000 62.5666 31.8200 177.3706 22 R 3.8450 8.7095 121.6997 59.3079 30.3221 178.3341 23 A 4.0312 7.9287 118.9772 54.3704 18.3378 179.5406 24 I 3.6102 7.7209 118.9924 64.1868 37.2174 176.7473 25 P 4.2528 0.0000 0.0000 65.4851 31.1611 178.5751 26 L 3.9968 7.4617 117.8092 57.7890 41.4711 179.6415 27 L 3.9684 8.2198 118.8161 57.7287 41.3596 179.2558 28 A 3.9697 7.8673 119.5821 55.1527 18.3272 179.1014 29 E 4.0166 8.1991 116.7314 58.9210 29.9471 178.2684 30 K 4.4852 8.3690 115.6186 56.0906 35.0307 176.5775 31 A 4.7342 8.4867 122.4100 48.8323 19.3229 174.8504 32 P 4.3871 0.0000 0.0000 65.6306 31.5760 178.9375 33 G 3.6127 8.0418 104.8600 47.4688 0.0000 175.3262 34 L 4.0456 8.0155 122.7194 57.7629 42.1147 178.7616 35 L 3.9817 7.7990 120.0133 58.0537 42.0304 178.8366 36 L 4.0323 8.0029 119.1296 57.6637 41.5256 179.0214 37 E 3.9631 8.2658 119.4049 59.3527 29.5823 178.1973 38 H 4.2910 8.6426 118.7223 59.4740 29.9652 177.4474 39 G 3.6153 8.1925 107.3715 47.6856 0.0000 175.6551 40 R 3.9632 8.4321 121.7152 59.2888 30.1679 178.8109 41 S 4.2675 8.6025 114.6342 61.0550 62.7402 176.0708 42 W 4.0315 8.1314 131.4048 60.6247 30.5587 177.8281 43 T 4.1873 7.9754 108.1202 64.9743 68.1629 175.4337 44 Y 4.1961 7.9577 121.5987 60.2647 38.8575 177.0609 45 A 3.8471 7.7686 118.4292 51.2718 18.4780 175.0746 *47 P 4.2404 0.0000 0.0000 63.0913 32.4439 176.2637 48 E 3.9830 8.5873 118.6847 57.7124 30.4238 177.2599 49 K 3.8262 8.5010 120.2216 57.6021 30.0527 174.3890 50 G 4.1269 7.4303 109.8576 45.0667 0.0000 173.1704 51 A 4.1677 8.5810 122.2725 53.8443 19.0349 177.8571 52 L 4.8348 7.4690 113.7845 52.3404 45.2171 176.5780 53 D 4.6719 8.2937 121.3428 52.9606 41.8110 177.3341 54 E 4.0216 8.6928 119.3568 59.1708 29.2810 179.7010 55 K 3.9383 8.0255 119.4207 59.9182 32.4132 178.8193 56 T 3.8596 8.6885 116.3896 66.5924 68.3442 176.8207 57 R 3.8787 8.1228 119.9366 59.6887 30.0711 179.2674 58 T 3.9529 8.0615 115.3788 66.7197 68.3760 176.8298 59 L 4.0447 8.1990 121.0025 57.6429 41.5363 179.7109 60 I 3.7067 7.9822 120.0262 64.3784 37.0527 178.4487 61 L 3.9428 8.0007 119.8680 57.5408 41.4087 179.4093 62 L 4.0549 8.4148 120.8889 58.0318 42.0912 179.1227 63 G 3.6808 8.3873 106.0648 47.9684 0.0000 175.6363 64 I 3.6964 7.9488 122.3039 63.9934 37.1356 178.2879 65 A 3.9972 8.1347 121.6014 55.2924 17.6486 179.7583 66 L 3.9387 8.0788 117.1525 57.9160 41.5067 179.6261 67 A 4.0823 8.0746 119.9733 54.5478 18.4118 178.7637 68 T 4.3556 8.0937 106.0609 60.9318 69.4483 175.2349 69 G 3.7452 7.5576 108.8057 47.1782 0.0000 175.0249 70 S 4.3886 7.8654 115.9489 56.5424 61.9876 173.2730 71 E 3.8945 8.6634 129.8552 59.2711 29.5126 178.1818 72 A 4.0202 7.9770 120.0940 55.4720 18.2705 179.2203 73 C 4.2192 7.7124 114.1481 62.4540 28.2971 176.2431 74 V 3.7463 7.8234 119.5201 65.8674 31.5061 177.6600 75 K 4.1735 8.0657 119.1186 59.3975 32.0041 179.0812 76 A 4.2887 8.1930 118.1435 52.4645 18.0257 178.7604 *78 A 4.2287 7.8969 124.7270 53.9829 20.7441 179.8865 79 H 4.1568 8.3581 113.0017 58.7424 28.6527 178.0418 80 R 4.1332 8.3876 121.7707 58.8625 29.9669 178.3887 81 A 4.0311 8.0080 120.0002 55.2835 18.5728 179.6249 82 K 3.9647 8.0356 116.8263 59.6514 31.8471 179.8912 83 R 4.0145 7.8366 117.6610 58.9219 30.0937 178.3924 84 L 4.2962 7.8613 116.8317 55.1032 41.7652 177.6670 85 G 3.8829 7.6763 106.5858 45.8491 0.0000 173.8534 86 L 4.1463 7.7683 119.4144 54.0589 42.3416 178.1840 87 S 4.3874 8.3850 117.4382 57.8839 65.2097 175.3129 88 K 3.9132 8.5570 123.8583 59.8511 31.9293 178.9874 89 E 3.9330 8.1536 118.1601 59.3652 29.4480 179.0236 90 A 4.0073 8.0500 120.8561 55.0786 18.3957 179.7258 91 L 4.0099 8.0012 117.6340 57.8332 41.7769 179.6373 92 L 4.0660 8.2483 119.2570 57.5167 41.4533 179.1179 93 E 3.9731 8.4123 119.6392 59.4849 29.5752 178.9444 94 T 3.8518 7.9597 115.9588 66.4099 68.4570 176.3922 95 L 3.9643 7.8785 122.3241 58.1466 42.0936 179.1979 96 K 4.0028 8.1618 118.4378 59.4846 31.8541 179.4693 97 I 3.6973 8.0717 120.1258 64.2740 37.1496 178.3592 98 A 3.9719 8.1632 121.7271 54.9824 18.0410 179.6706 99 R 3.8304 8.1303 117.3426 59.6905 30.1129 178.6240 100 Q 3.9583 8.3936 119.3296 58.9606 29.0392 177.8601 101 A 3.9191 8.2733 122.1530 55.3767 18.1906 179.6898 102 Q 3.9746 7.8397 114.8699 58.8561 28.8972 178.5378 103 A 4.1348 7.7786 121.8615 55.1805 18.4027 179.2161 104 N 4.2322 8.8425 115.4941 56.6891 38.7317 177.4892 105 A 3.9803 8.1404 121.8473 54.9564 18.1586 179.9293 106 V 3.6004 7.3989 116.4358 66.2050 31.9445 178.0076 107 L 4.2447 7.9670 118.4835 57.6786 41.2983 179.5069 108 G 3.6473 8.0865 105.0905 47.6196 0.0000 174.4867 109 H 4.6559 7.7981 115.0991 56.0229 29.3842 176.2817 110 A 4.3113 7.9616 122.8794 52.4946 18.6562 178.9651 111 A 3.9422 8.0060 120.0278 55.0509 18.1554 177.8944 112 P 4.1642 0.0000 0.0000 65.4598 31.5921 178.4585 113 L 4.1019 7.7841 118.6761 58.2118 42.2683 178.6275 114 L 4.0070 8.0106 118.9221 57.9867 41.2934 179.3577 115 E 4.0210 8.2534 117.7875 59.1780 29.4763 178.9344 116 V 4.0123 7.5340 109.6097 61.6883 32.0153 176.1958 117 L 4.2240 7.6336 124.4032 54.9034 41.6041 176.4510 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 6 E 8.29 4.29 0.00 1.98 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 2.27 2.25 0.00 7 R 8.77 4.04 0.00 2.06 2.15 0.00 2.81 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 8 V 8.10 3.61 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 0.83 0.00 0.00 0.99 0.00 0.00 9 L 7.71 4.08 0.00 1.64 1.81 0.90 0.71 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 10 Q 7.98 4.16 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 11 A 7.90 4.74 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 *13 A 8.00 4.19 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 14 E 8.14 3.88 0.00 2.23 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 2.42 0.00 15 N 8.42 4.89 0.00 2.93 2.99 0.00 0.00 6.90 6.18 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 16 L 7.56 4.66 0.00 1.64 1.65 0.87 0.93 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 17 G 7.69 3.67 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 0.00 0.00 0.00 18 E 9.05 3.98 0.00 1.95 1.93 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 2.28 2.27 0.00 19 G 7.89 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 0.00 0.00 0.00 20 L 7.62 4.27 0.00 1.67 1.61 0.88 0.97 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 21 P 0.00 4.33 0.00 2.20 1.96 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 22 R 8.71 3.85 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 23 A 7.93 4.03 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 24 I 7.72 3.61 1.94 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 1.49 0.89 0.88 0.00 0.00 25 P 0.00 4.25 0.00 2.14 2.08 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 26 L 7.46 4.00 0.00 1.77 1.72 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 3.97 0.00 1.86 1.71 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.87 3.97 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 29 E 8.20 4.02 0.00 2.08 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 0.00 2.32 2.34 0.00 30 K 8.37 4.49 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 31 A 8.49 4.73 1.20 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 0.00 0.00 32 P 0.00 4.39 0.00 2.27 2.47 0.00 3.70 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 2.08 2.05 0.00 33 G 8.04 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.05 0.00 1.80 1.86 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.80 3.98 0.00 1.80 1.81 0.93 0.66 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 36 L 8.00 4.03 0.00 1.93 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.27 3.96 0.00 2.12 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 2.33 2.40 0.00 38 H 8.64 4.29 0.00 3.39 3.59 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.19 3.62 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 0.00 0.00 0.00 40 R 8.43 3.96 0.00 1.99 2.09 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 41 S 8.60 4.27 0.00 4.14 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 0.00 42 W 8.13 4.03 0.00 3.51 3.23 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 43 T 7.98 4.19 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 1.36 0.00 0.00 44 Y 7.96 4.20 0.00 3.05 3.28 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 0.00 45 A 7.77 3.85 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 *47 P 0.00 4.24 0.00 2.19 2.06 0.00 3.67 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 1.83 1.89 0.00 48 E 8.59 3.98 0.00 1.99 1.94 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 2.33 2.36 0.00 49 K 8.50 3.83 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.42 7.81 50 G 7.43 4.13 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 0.00 0.00 0.00 51 A 8.58 4.17 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 52 L 7.47 4.83 0.00 1.57 1.52 0.88 1.01 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 53 D 8.29 4.67 0.00 2.95 2.80 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 54 E 8.69 4.02 0.00 2.03 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 2.44 2.36 0.00 55 K 8.03 3.94 0.00 1.83 1.96 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 56 T 8.69 3.86 4.34 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 1.20 0.00 0.00 57 R 8.12 3.88 0.00 2.05 1.97 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 58 T 8.06 3.95 4.40 0.00 0.00 0.00 0.00 0.00 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 59 L 8.20 4.04 0.00 1.69 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.98 3.71 1.96 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 1.50 0.70 0.87 0.00 0.00 61 L 8.00 3.94 0.00 1.85 1.72 0.78 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.41 4.05 0.00 1.84 1.87 0.94 0.92 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 63 G 8.39 3.68 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 0.00 0.00 0.00 64 I 7.95 3.70 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.90 0.00 0.00 65 A 8.13 4.00 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 66 L 8.08 3.94 0.00 1.88 1.73 0.93 0.67 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 67 A 8.07 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.36 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 1.21 0.00 0.00 69 G 7.56 3.75 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 0.00 70 S 7.87 4.39 0.00 3.94 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 71 E 8.66 3.89 0.00 2.08 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 2.39 2.40 0.00 72 A 7.98 4.02 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 73 C 7.71 4.22 0.00 2.98 3.05 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 74 V 7.82 3.75 2.23 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 0.81 0.00 0.00 0.95 0.00 0.00 75 K 8.07 4.17 0.00 1.91 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 76 A 8.19 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.23 1.45 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 0.00 0.00 79 H 8.36 4.16 0.00 3.27 3.49 0.00 5.82 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 80 R 8.39 4.13 0.00 2.04 2.07 0.00 3.22 0.00 0.00 3.45 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 81 A 8.01 4.03 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 82 K 8.04 3.96 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.57 7.81 83 R 7.84 4.01 0.00 1.95 2.00 0.00 3.20 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 84 L 7.86 4.30 0.00 1.80 1.73 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.68 3.88 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 0.00 0.00 0.00 86 L 7.77 4.15 0.00 1.80 1.62 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.38 4.39 0.00 4.16 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 88 K 8.56 3.91 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 89 E 8.15 3.93 0.00 2.09 1.98 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 2.40 2.44 0.00 90 A 8.05 4.01 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 91 L 8.00 4.01 0.00 1.85 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.25 4.07 0.00 1.68 1.71 0.92 1.05 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 93 E 8.41 3.97 0.00 2.14 1.94 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 2.30 2.35 0.00 94 T 7.96 3.85 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 1.26 0.00 0.00 95 L 7.88 3.96 0.00 1.78 1.85 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.16 4.00 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 97 I 8.07 3.70 2.02 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 1.45 0.80 0.91 0.00 0.00 98 A 8.16 3.97 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 99 R 8.13 3.83 0.00 1.96 2.13 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 100 Q 8.39 3.96 0.00 2.27 2.23 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 2.35 2.55 0.00 101 A 8.27 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 3.97 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 103 A 7.78 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 0.00 104 N 8.84 4.23 0.00 2.90 2.89 0.00 0.00 6.95 6.72 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 0.00 105 A 8.14 3.98 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 0.00 106 V 7.40 3.60 2.25 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 0.88 0.00 0.00 1.00 0.00 0.00 107 L 7.97 4.24 0.00 1.88 1.70 0.92 0.90 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 0.00 108 G 8.09 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 0.00 109 H 7.80 4.66 0.00 3.28 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.96 4.31 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 0.00 111 A 8.01 3.94 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 0.00 112 P 0.00 4.16 0.00 2.04 2.14 0.00 3.79 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 2.04 2.16 0.00 113 L 7.78 4.10 0.00 1.76 1.84 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.01 4.01 0.00 1.85 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.25 4.02 0.00 2.09 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 2.47 2.51 0.00 116 V 7.53 4.01 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 0.75 0.00 0.00 1.04 0.00 0.00 117 L 7.63 4.22 0.00 1.65 1.57 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.