NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3396 8.1749 117.3746 62.5808 69.9265 173.4047 2 P 4.2718 0.0000 0.0000 62.3842 31.8661 175.1514 3 Q 4.4834 8.0496 119.4942 56.0231 30.4231 175.0293 4 N 5.0273 7.4544 115.4702 50.4396 41.7829 174.8305 5 I 3.7094 8.1894 119.6335 64.2981 37.8004 177.8591 6 T 3.8565 7.7687 115.7608 66.4096 68.6397 175.9434 7 D 4.4314 8.4210 120.8748 57.3421 40.9120 178.3985 8 L 3.8875 7.6178 120.6740 58.5457 41.9079 178.3192 9 C 4.3325 8.2870 116.5533 58.9380 43.5880 174.5133 10 A 4.0240 7.6493 120.4324 53.1104 18.4443 177.1825 11 E 3.9918 7.5009 117.2306 56.0911 29.6184 175.0557 12 Y 5.0782 7.1301 113.5774 56.6908 41.7157 173.9541 13 H 4.7110 9.1180 120.9809 56.3662 30.8806 174.4715 14 N 4.2730 8.7055 124.4164 54.8247 35.2675 173.9261 15 T 5.1096 7.5797 106.8190 59.9665 71.8440 173.6177 16 Q 4.4203 7.8295 117.7983 55.4684 32.3313 172.6260 17 I 4.6445 8.5325 127.6883 61.2185 38.4936 174.9155 18 H 4.8977 9.1578 122.6903 54.2384 32.5708 172.5427 19 T 4.7357 8.5091 118.5101 62.1800 69.7665 173.5417 20 L 4.2000 8.8841 126.5553 54.3410 43.7183 177.1641 21 N 4.1730 7.9545 113.6930 53.3295 36.2990 172.6021 22 D 4.6915 7.7165 114.8677 52.9410 45.0121 174.2575 23 K 4.9223 8.4280 122.2873 55.8531 33.8294 176.5291 24 I 3.3786 8.0667 120.8072 61.1014 37.6237 176.1762 25 F 4.6951 9.2659 129.4834 60.9268 39.8376 175.3982 26 S 4.4451 7.7107 108.4870 56.7060 66.8420 172.2260 27 Y 4.9663 7.7614 120.9650 56.1009 41.6482 174.3000 28 T 4.2668 8.5108 123.0477 61.5302 71.6317 172.4475 29 E 4.8654 8.3869 127.0509 54.3467 32.3932 174.9873 30 S 4.6818 8.7949 120.2601 56.8113 65.9151 174.0257 31 L 4.6185 8.6259 125.2602 55.2974 41.1434 177.3583 32 A 3.9939 7.6334 123.7404 54.3731 16.0072 177.2320 33 G 3.3535 8.6290 107.4541 46.9367 0.0000 175.0919 *34 K 4.1134 8.6298 131.0057 55.6131 31.3899 173.2482 *35 D 5.0809 7.3566 115.2116 53.3818 40.5125 183.3699 36 E 4.6540 8.1140 121.7460 57.2593 28.2539 176.8104 37 M 4.9988 8.8539 120.8603 53.0385 35.5060 174.2655 38 A 5.0773 8.4198 120.3762 50.2473 22.8797 175.2112 39 I 4.9293 8.7380 122.1864 59.5901 41.2766 174.3238 40 I 5.0661 8.6492 121.1848 59.2318 40.4006 174.7924 41 T 5.2790 8.6291 113.9253 60.1397 72.5199 172.5912 42 F 5.3319 8.7908 120.2758 55.3340 42.2728 176.5490 43 K 3.6119 8.3208 122.9880 59.6567 31.9629 177.5638 44 N 4.5785 8.2149 112.8151 53.1166 37.0797 175.2598 45 G 4.0134 8.2538 108.9796 45.4948 0.0000 174.4071 46 A 4.0450 7.5080 121.0558 53.0250 19.4320 176.8509 47 T 4.9668 7.7628 116.6457 61.7806 72.3026 173.2748 48 F 5.2601 9.2081 123.3244 55.8258 43.9400 173.4721 49 Q 5.0546 9.1030 117.2616 54.8528 32.7002 173.7168 50 V 4.7206 7.9530 119.5794 60.8087 33.0820 175.5173 51 E 4.1459 9.0243 127.3949 56.2268 30.0709 176.9434 52 V 3.9140 8.1468 121.8966 62.2877 32.2240 175.6695 53 P 4.5585 0.0000 0.0000 62.1009 29.2682 176.0085 54 G 3.8527 8.0668 116.4666 46.2811 0.0000 170.8694 55 S 4.7664 8.3019 113.5590 59.0816 62.7930 175.1797 56 Q 4.4932 7.9686 115.9108 55.5803 29.8112 174.8017 57 H 4.4637 8.0018 116.6774 55.3150 29.1450 175.7836 58 I 4.0181 8.1536 124.5965 60.9660 38.8160 176.5527 59 D 4.4171 8.6458 119.9305 58.1796 40.5217 179.4564 60 S 4.1417 7.9913 113.9069 61.3298 63.0621 176.3313 61 Q 3.9696 8.0401 121.4719 58.9435 28.5313 178.6754 62 K 3.9237 7.7105 118.5830 59.3601 32.1977 179.3600 63 K 4.0208 7.7088 119.5414 59.1315 32.0915 178.7821 64 A 4.0974 8.2879 121.4145 54.8884 17.8939 179.6704 65 I 3.7348 7.9407 118.6346 64.4703 37.1987 178.5031 66 E 4.0111 8.1603 119.7018 59.2108 29.2567 179.2417 67 R 3.8872 7.9164 118.4970 59.7001 30.2626 178.2395 68 M 4.0505 8.2328 117.9593 58.6361 32.2184 178.3765 69 K 4.1563 7.9020 118.2185 59.3211 32.2338 179.0952 70 D 4.3799 8.1099 119.1660 57.6450 40.6582 178.9149 71 T 3.8884 8.1198 116.3025 66.6571 68.3570 176.7865 72 L 4.0532 7.8777 120.4802 57.5229 41.5444 179.5633 73 R 3.1072 7.8411 118.5877 59.2709 30.0907 178.4216 74 I 3.5781 7.7950 118.2175 63.8970 37.9218 177.6358 75 A 3.9570 8.3486 122.0802 55.2112 18.3620 178.9423 76 Y 3.8534 8.1481 118.1656 60.9723 38.7252 178.4197 77 L 3.8053 8.0414 118.7740 57.0007 41.7386 178.5645 78 T 4.2328 7.5637 107.0812 60.2704 69.7173 174.0966 79 E 3.5776 7.6191 119.2879 57.5162 27.4805 174.5615 80 A 4.2836 7.8927 119.5894 51.4795 19.6259 178.5141 81 K 4.1857 8.6084 123.3366 56.1875 33.7774 175.6670 82 V 3.9426 8.8146 128.4051 62.3432 32.4728 175.0853 83 E 4.2655 9.5085 131.7591 57.3868 29.7952 176.1450 84 K 5.1149 8.5105 115.8797 54.5181 37.5046 174.6671 85 L 4.9100 8.5961 120.4663 53.1572 45.9658 175.1439 86 C 4.9473 8.7439 123.8918 55.3406 39.0287 172.8163 87 V 4.7200 8.2503 119.5723 59.1080 34.8859 175.0581 88 W 5.0529 8.9589 123.1544 55.6528 30.0818 176.4779 89 N 5.0854 8.9111 123.0325 52.5759 37.5172 175.2854 90 N 5.0538 7.9231 114.8407 52.5658 37.7892 174.1444 91 K 4.5763 7.9285 117.4210 56.1455 35.4581 175.3554 92 T 4.3696 8.1590 118.6266 61.0214 69.9354 172.3983 93 P 4.5135 0.0000 0.0000 61.7107 33.0517 176.1149 94 H 4.5269 8.5673 117.5838 56.4376 29.6632 175.0222 95 A 4.8225 8.9714 125.9252 51.8500 19.6240 176.3745 96 I 4.0447 8.9657 124.8196 61.4929 37.1254 175.8186 97 A 4.3508 8.7427 128.6335 52.8269 20.7344 176.5235 98 A 4.6514 7.3291 114.4682 50.8194 22.9383 175.1872 99 I 5.0766 8.1562 118.6980 59.2516 41.5463 174.4940 100 S 4.8538 8.7721 121.7840 56.7955 66.2193 172.6507 101 M 5.1875 8.6463 120.8062 53.6890 35.1528 174.6580 102 A 4.6993 8.1232 123.3324 50.2006 22.9278 176.0578 103 N 4.4526 8.7229 116.8767 53.6738 38.6367 175.2727 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 T 8.17 4.34 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 2 P 0.00 4.27 0.00 2.12 2.01 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 3 Q 8.05 4.48 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 4 N 7.45 5.03 0.00 2.83 2.86 0.00 0.00 5.86 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 5 I 8.19 3.71 1.84 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 1.59 1.52 0.87 0.00 0.00 6 T 7.77 3.86 4.21 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 1.18 0.00 0.00 7 D 8.42 4.43 0.00 2.88 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 8 L 7.62 3.89 0.00 1.78 1.83 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.29 4.33 0.00 3.16 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 10 A 7.65 4.02 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 11 E 7.50 3.99 0.00 1.61 1.12 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 2.05 2.06 0.00 12 Y 7.13 5.08 0.00 3.10 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 13 H 9.12 4.71 0.00 3.19 3.38 0.00 6.02 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 14 N 8.71 4.27 0.00 3.08 3.15 0.00 0.00 6.79 7.05 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 15 T 7.58 5.11 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 1.00 0.00 0.00 16 Q 7.83 4.42 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.10 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 17 I 8.53 4.64 1.82 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 1.29 0.89 0.86 0.00 0.00 18 H 9.16 4.90 0.00 2.95 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.74 4.19 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 1.17 0.00 0.00 20 L 8.88 4.20 0.00 1.25 1.25 0.50 0.60 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 21 N 7.95 4.17 0.00 2.77 2.81 0.00 0.00 6.61 8.06 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 22 D 7.72 4.69 0.00 2.86 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 23 K 8.43 4.92 0.00 1.94 1.86 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.58 7.81 24 I 8.07 3.38 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.47 0.94 0.00 0.00 25 F 9.27 4.70 0.00 3.12 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 26 S 7.71 4.45 0.00 3.68 3.46 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 27 Y 7.76 4.97 0.00 2.32 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 0.00 0.00 0.00 0.00 28 T 8.51 4.27 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 1.06 0.00 0.00 29 E 8.39 4.87 0.00 1.67 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 2.14 2.24 0.00 30 S 8.79 4.68 0.00 3.83 3.56 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 31 L 8.63 4.62 0.00 1.76 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.63 3.99 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 33 G 8.63 3.35 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 0.00 *34 K 8.63 4.11 0.00 1.87 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.24 7.81 *35 D 7.36 5.08 0.00 2.67 2.52 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 36 E 8.11 4.65 0.00 1.83 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 0.00 2.32 2.37 0.00 37 M 8.85 5.00 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 38 A 8.42 5.08 1.24 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 0.00 0.00 39 I 8.74 4.93 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.86 0.00 0.00 40 I 8.65 5.07 1.79 0.00 0.00 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 1.45 0.96 1.04 0.00 0.00 41 T 8.63 5.28 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 1.22 0.00 0.00 42 F 8.79 5.33 0.00 3.34 3.07 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 43 K 8.32 3.61 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.06 7.81 44 N 8.21 4.58 0.00 2.90 2.93 0.00 0.00 6.19 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 45 G 8.25 4.01 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 0.00 0.00 0.00 46 A 7.51 4.04 1.40 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 0.00 0.00 0.00 47 T 7.76 4.97 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 1.21 0.00 0.00 48 F 9.21 5.26 0.00 3.07 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 49 Q 9.10 5.05 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 50 V 7.95 4.72 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 0.85 0.00 0.00 1.01 0.00 0.00 51 E 9.02 4.15 0.00 2.06 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 2.38 2.44 0.00 52 V 8.15 3.91 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 0.90 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.56 0.00 2.22 2.05 0.00 3.83 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 2.00 2.13 0.00 54 G 8.07 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 0.00 0.00 0.00 55 S 8.30 4.77 0.00 3.86 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 56 Q 7.97 4.49 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.84 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 57 H 8.00 4.46 0.00 3.31 3.24 0.00 5.72 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 58 I 8.15 4.02 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.92 0.00 0.00 59 D 8.65 4.42 0.00 2.69 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 60 S 7.99 4.14 0.00 4.06 4.14 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 61 Q 8.04 3.97 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 62 K 7.71 3.92 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 63 K 7.71 4.02 0.00 1.73 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 64 A 8.29 4.10 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 65 I 7.94 3.73 2.03 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 1.51 1.07 0.94 0.00 0.00 66 E 8.16 4.01 0.00 2.15 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 2.59 2.46 0.00 67 R 7.92 3.89 0.00 1.92 2.12 0.00 3.11 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 1.64 1.65 0.00 68 M 8.23 4.05 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 7.90 4.16 0.00 2.02 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.77 7.81 70 D 8.11 4.38 0.00 2.93 2.72 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 71 T 8.12 3.89 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 1.22 0.00 0.00 72 L 7.88 4.05 0.00 1.84 1.83 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.84 3.11 0.00 1.71 1.91 0.00 3.03 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.00 74 I 7.79 3.58 1.83 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 1.43 1.03 0.99 0.00 0.00 75 A 8.35 3.96 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 76 Y 8.15 3.85 0.00 3.04 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 77 L 8.04 3.81 0.00 1.56 1.64 0.87 0.98 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 78 T 7.56 4.23 4.19 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 1.16 0.00 0.00 79 E 7.62 3.58 0.00 2.10 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 0.00 2.06 2.03 0.00 80 A 7.89 4.28 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 81 K 8.61 4.19 0.00 1.88 1.71 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.55 7.81 82 V 8.81 3.94 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 0.90 0.00 0.00 1.16 0.00 0.00 83 E 9.51 4.27 0.00 2.06 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 2.26 2.26 0.00 84 K 8.51 5.11 0.00 1.63 1.64 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.60 4.91 0.00 1.08 1.08 -0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.74 4.95 0.00 2.89 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 87 V 8.25 4.72 2.35 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 0.74 0.00 0.00 0.96 0.00 0.00 88 W 8.96 5.05 0.00 3.49 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 89 N 8.91 5.09 0.00 2.84 3.10 0.00 0.00 6.92 8.05 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 90 N 7.92 5.05 0.00 2.90 2.99 0.00 0.00 6.53 7.01 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 91 K 7.93 4.58 0.00 1.74 1.89 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 92 T 8.16 4.37 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 1.17 0.00 0.00 93 P 0.00 4.51 0.00 1.91 1.92 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 94 H 8.57 4.53 0.00 3.32 3.45 0.00 5.62 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 95 A 8.97 4.82 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.97 4.04 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.87 0.88 0.00 0.00 97 A 8.74 4.35 -0.09 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 98 A 7.33 4.65 1.12 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 99 I 8.16 5.08 1.84 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 1.39 0.97 0.91 0.00 0.00 100 S 8.77 4.85 0.00 3.90 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 0.00 101 M 8.65 5.19 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.12 4.70 1.15 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 0.00 0.00 103 N 8.72 4.45 0.00 2.70 2.75 0.00 0.00 6.82 7.56 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 * Residues marked with a * may have inaccurate shift predictions.