NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7268 8.4293 120.3920 54.7745 30.6677 174.3527 6 E 4.8810 8.6286 110.9245 53.1055 32.0867 176.5141 7 T 4.1013 8.4721 112.0859 61.4656 71.7624 176.3065 8 D 4.4038 8.7125 122.5556 58.1327 40.8323 179.5932 9 E 4.0472 8.1773 118.0988 59.3917 29.5295 179.0917 10 E 3.9839 8.0863 118.5345 59.2704 29.4758 179.0220 11 F 4.0881 8.2012 120.3223 61.6475 39.5221 176.6698 12 D 4.5483 8.7356 118.2694 57.5696 40.6095 179.0350 13 A 4.0240 8.3119 121.0877 55.1784 18.4481 179.6422 14 R 3.7086 7.8315 116.6316 59.4047 30.1182 179.3828 15 W 3.9328 7.7323 118.0135 59.3885 28.8459 178.6842 16 V 3.7654 7.8431 117.1902 66.5879 31.3404 177.5930 17 T 4.0381 8.5313 115.5788 66.9447 68.2114 175.5097 18 Y 3.8820 7.8246 120.9850 60.9715 38.5715 178.2404 19 F 4.6065 8.1495 115.6814 59.3620 39.2945 176.7253 20 N 4.7369 7.9138 114.9410 52.7201 38.9606 175.1250 21 K 3.7059 7.2366 122.2503 56.3199 32.6787 174.9047 22 P 4.2765 0.0000 0.0000 65.4674 31.3085 177.6252 23 D 4.9143 7.6848 115.1358 52.4611 40.0070 176.2077 24 I 3.7377 7.2754 120.1093 62.6898 38.5494 175.5312 25 D 4.8568 8.5886 126.9275 51.7663 42.6407 177.5845 26 A 4.0331 8.4236 120.5036 55.1082 18.3181 178.9757 27 W 4.1292 8.4687 126.3211 61.2016 30.5971 177.5025 28 E 4.2583 9.7594 118.3634 59.6273 28.9733 179.4240 29 L 4.3177 8.2394 119.9941 58.3437 42.2298 179.2804 30 R 3.8345 8.1019 117.8908 59.1570 30.0498 178.6166 31 K 3.5681 8.1042 119.8623 59.6213 31.8482 178.8113 32 G 3.7953 8.4552 105.5315 48.3183 0.0000 175.7049 33 M 4.1341 8.3441 121.6346 58.0341 31.7788 178.7007 34 N 4.3272 8.3893 116.2973 56.3213 38.9129 177.4815 35 T 3.8836 7.9849 117.2711 66.5555 68.7191 176.5356 36 L 3.6579 7.7208 122.3296 58.0350 41.7681 178.9196 37 V 3.9302 7.3797 109.9129 62.7421 31.6704 178.1615 38 G 3.4929 7.5966 105.4101 46.3747 0.0000 173.7285 39 Y 4.5509 6.4864 117.6312 57.6722 38.9933 175.8182 40 D 4.6755 8.4401 123.1677 51.5408 39.6887 175.0217 41 L 4.3137 7.1568 119.1929 54.8503 43.0044 174.7812 42 V 4.2269 8.1788 119.8217 60.4523 32.6747 174.1029 43 P 4.4732 0.0000 0.0000 62.3277 32.0779 176.1097 44 E 4.1908 8.7823 120.9707 56.0361 30.2447 176.3047 45 P 4.2785 0.0000 0.0000 65.8764 31.3596 179.0276 46 K 3.9477 8.1334 116.9706 59.9985 32.3372 179.2470 47 I 3.8564 7.9255 120.9013 64.3485 37.0945 178.3660 48 I 3.5597 7.7364 120.1469 64.3789 36.9572 177.3621 49 D 4.2579 8.7982 118.9303 57.6196 40.9440 178.0828 50 A 4.1427 8.0813 120.4006 55.5571 18.5077 179.5519 51 A 3.4906 7.9523 118.9610 54.9699 18.2978 179.8922 52 L 3.8794 8.2220 118.0085 57.9769 41.6361 179.9779 53 R 3.9639 8.0600 117.8368 58.9123 29.8968 178.9113 54 A 4.0339 7.7569 120.4085 55.3949 18.3335 179.2921 55 C 4.0156 7.9091 114.8886 62.9684 28.1189 176.4276 56 R 3.8922 7.8771 119.9958 59.7184 29.5640 178.8770 57 R 3.9891 8.2807 116.5299 58.5026 30.0243 178.0089 58 L 4.4927 7.7599 116.5798 53.2129 42.3200 175.9334 59 N 4.1760 8.3444 115.5773 54.7765 36.8774 175.0626 60 D 4.7874 8.2496 117.9315 51.8758 41.9929 175.3897 61 F 4.1516 8.7021 127.5853 60.5847 39.7275 176.3400 62 A 3.9726 8.1415 120.0102 55.4531 18.1982 179.6308 63 S 4.0273 8.7361 113.6679 61.5169 62.6584 176.8228 64 A 3.8128 7.3357 122.7841 55.1107 18.0547 179.9089 65 V 3.3719 7.0724 116.8678 65.9040 31.5463 178.2537 66 R 4.3592 7.7665 119.8656 58.9541 29.9098 178.4391 67 I 3.6256 7.9328 119.9080 64.4771 37.1760 178.4186 68 L 4.1146 7.6985 119.7877 57.8089 41.4938 179.4081 69 E 3.8962 8.2704 118.9474 59.0631 29.2463 179.6982 70 V 3.6359 7.8195 119.4968 64.3563 31.4404 178.5018 71 V 3.5572 7.5596 118.1573 65.7543 31.7586 177.5746 72 K 3.8468 7.6980 118.7996 59.4116 31.8437 178.0317 73 D 4.2551 7.9851 118.1994 57.4977 40.9263 178.4728 74 K 3.8873 8.5656 117.5515 59.1572 32.2861 178.5456 75 A 4.2263 8.1519 119.9383 51.6702 18.5342 178.9625 76 G 3.6691 8.5462 106.4141 46.2980 0.0000 174.0919 77 P 4.4111 0.0000 0.0000 63.8358 31.7572 176.8948 78 H 4.6622 8.0015 118.4812 55.0718 26.7138 175.8809 79 K 4.2205 8.1640 122.3380 58.1304 32.4373 177.3036 80 E 4.3550 8.0881 116.8013 57.4057 30.0762 178.4642 81 I 3.8229 7.7399 122.0036 64.7347 37.1725 177.5212 82 Y 4.1881 8.0376 119.8480 60.3708 38.7144 175.7669 83 P 4.0621 0.0000 0.0000 65.6836 31.3701 177.9015 84 Y 3.9640 7.8305 118.3158 60.5838 38.7203 178.3080 85 V 3.3329 7.8662 119.1261 65.9274 31.6742 178.0623 86 I 3.4015 7.5510 119.7556 64.2362 36.6672 177.8219 87 Q 3.8289 7.6792 119.2628 59.6742 28.8302 178.7520 88 E 3.9044 7.5948 117.5440 58.5175 29.6525 178.3727 89 L 4.3215 7.5655 117.5485 54.8945 42.0794 178.3105 90 R 3.7952 7.7791 119.9288 59.3521 29.8965 176.2592 91 P 4.2278 0.0000 0.0000 65.8150 31.3080 178.8155 92 T 3.8902 7.7531 114.0652 66.4519 68.5261 176.6330 93 L 3.9679 8.0630 121.0825 57.8997 41.3365 179.2018 94 N 4.2751 8.3634 116.5270 56.5049 38.3344 176.9239 95 E 3.9389 8.4214 119.3207 58.9501 29.8330 178.0380 96 L 4.5136 8.0319 115.9485 53.6375 42.4148 176.6699 97 G 3.8331 7.6829 106.5061 46.5630 0.0000 173.8901 98 I 4.3757 7.7364 121.3592 60.0781 37.5217 176.3439 99 S 4.9291 9.2304 122.1811 57.3290 63.6987 175.1139 100 T 4.0857 8.5831 115.5307 61.1635 70.4321 173.2595 101 P 4.2499 0.0000 0.0000 66.1729 31.2770 178.6254 102 E 4.4554 8.1049 117.7378 59.1794 29.5753 179.1017 103 E 4.1240 8.1184 117.8116 58.7076 29.2732 178.4400 104 L 4.7151 7.5297 116.4117 53.1107 42.2891 176.2590 105 G 4.0236 8.1586 107.2284 46.7487 0.0000 174.4145 106 L 4.4632 8.7504 118.1385 54.3890 42.1340 177.1719 107 D 4.6891 7.8909 118.3002 52.7231 40.1211 175.5168 108 K 4.4719 7.6090 119.9120 55.1107 34.1671 176.7819 109 V 3.7726 8.4416 115.4792 61.7936 31.4030 175.9126 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 5 H 8.43 4.73 0.00 3.13 3.08 0.00 5.81 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 6 E 8.63 4.88 0.00 2.37 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 0.00 2.08 2.40 0.00 7 T 8.47 4.10 4.49 0.00 0.00 0.00 0.00 0.00 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 8 D 8.71 4.40 0.00 2.71 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 9 E 8.18 4.05 0.00 2.09 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 0.00 2.43 2.50 0.00 10 E 8.09 3.98 0.00 2.16 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 0.00 2.35 2.34 0.00 11 F 8.20 4.09 0.00 3.24 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 12 D 8.74 4.55 0.00 3.01 2.85 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 13 A 8.31 4.02 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 14 R 7.83 3.71 0.00 2.02 1.48 0.00 2.70 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 15 W 7.73 3.93 0.00 3.15 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 16 V 7.84 3.77 2.29 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 0.91 0.00 0.00 1.15 0.00 0.00 17 T 8.53 4.04 4.38 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 1.18 0.00 0.00 18 Y 7.82 3.88 0.00 2.76 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 19 F 8.15 4.61 0.00 3.30 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 20 N 7.91 4.74 0.00 3.01 2.90 0.00 0.00 6.86 7.54 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 21 K 7.24 3.71 0.00 1.60 1.61 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.40 7.81 22 P 0.00 4.28 0.00 2.07 2.11 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 23 D 7.68 4.91 0.00 2.77 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 24 I 7.28 3.74 1.91 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 1.38 0.83 1.01 0.00 0.00 25 D 8.59 4.86 0.00 3.05 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 26 A 8.42 4.03 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 27 W 8.47 4.13 0.00 3.47 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.76 4.26 0.00 2.22 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 0.00 2.77 2.95 0.00 29 L 8.24 4.32 0.00 1.91 1.93 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 3.83 0.00 1.83 1.82 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 31 K 8.10 3.57 0.00 0.79 1.53 0.00 1.22 0.00 0.00 1.25 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 32 G 8.46 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 0.00 0.00 0.00 33 M 8.34 4.13 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.86 0.00 34 N 8.39 4.33 0.00 2.63 2.79 0.00 0.00 7.09 7.29 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 35 T 7.98 3.88 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 36 L 7.72 3.66 0.00 0.75 1.50 0.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.38 3.93 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 0.70 0.00 0.00 0.94 0.00 0.00 38 G 7.60 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.49 4.55 0.00 3.06 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 40 D 8.44 4.68 0.00 2.66 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 41 L 7.16 4.31 0.00 1.66 1.48 1.01 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.18 4.23 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 0.90 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.47 0.00 2.08 1.97 0.00 3.76 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 1.99 2.10 0.00 44 E 8.78 4.19 0.00 2.10 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 0.00 2.49 2.65 0.00 45 P 0.00 4.28 0.00 2.14 2.06 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 46 K 8.13 3.95 0.00 2.03 2.12 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.62 7.81 47 I 7.93 3.86 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 1.13 0.00 0.00 48 I 7.74 3.56 1.98 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 1.74 0.86 0.86 0.00 0.00 49 D 8.80 4.26 0.00 2.78 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 50 A 8.08 4.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.49 0.47 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 52 L 8.22 3.88 0.00 1.76 1.67 0.87 0.74 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 53 R 8.06 3.96 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 54 A 7.76 4.03 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 55 C 7.91 4.02 0.00 3.27 3.16 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 56 R 7.88 3.89 0.00 1.96 2.07 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 8.28 3.99 0.00 1.93 2.01 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 58 L 7.76 4.49 0.00 1.81 1.72 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.34 4.18 0.00 2.85 2.90 0.00 0.00 6.59 8.01 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 60 D 8.25 4.79 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 61 F 8.70 4.15 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 62 A 8.14 3.97 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 63 S 8.74 4.03 0.00 3.95 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 64 A 7.34 3.81 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 65 V 7.07 3.37 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 0.94 0.00 0.00 0.47 0.00 0.00 66 R 7.77 4.36 0.00 2.02 2.00 0.00 3.29 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 67 I 7.93 3.63 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.79 0.00 0.00 68 L 7.70 4.11 0.00 1.80 1.88 0.91 1.02 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 69 E 8.27 3.90 0.00 2.17 1.91 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 2.25 2.39 0.00 70 V 7.82 3.64 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 0.83 0.00 0.00 0.87 0.00 0.00 71 V 7.56 3.56 2.32 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 0.95 0.00 0.00 1.04 0.00 0.00 72 K 7.70 3.85 0.00 0.79 1.49 0.00 0.80 0.00 0.00 1.06 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 0.99 7.81 73 D 7.99 4.26 0.00 2.89 2.74 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 74 K 8.57 3.89 0.00 1.91 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.59 7.81 75 A 8.15 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 77 P 0.00 4.41 0.00 2.07 2.11 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 78 H 8.00 4.66 0.00 3.35 3.31 0.00 5.62 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 79 K 8.16 4.22 0.00 1.72 1.90 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 80 E 8.09 4.35 0.00 2.19 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 2.35 2.34 0.00 81 I 7.74 3.82 2.06 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 1.42 0.70 1.01 0.00 0.00 82 Y 8.04 4.19 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 2.24 2.10 0.00 3.85 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 2.25 2.24 0.00 84 Y 7.83 3.96 0.00 3.08 3.25 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 85 V 7.87 3.33 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 0.95 0.00 0.00 1.14 0.00 0.00 86 I 7.55 3.40 1.47 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.29 0.72 0.00 0.00 87 Q 7.68 3.83 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 88 E 7.59 3.90 0.00 1.81 1.81 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 1.47 2.06 0.00 89 L 7.57 4.32 0.00 1.59 1.62 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.78 3.80 0.00 2.11 1.90 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 91 P 0.00 4.23 0.00 2.17 2.06 0.00 3.60 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 2.08 2.15 0.00 92 T 7.75 3.89 4.36 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 1.21 0.00 0.00 93 L 8.06 3.97 0.00 1.77 1.89 0.86 0.92 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 94 N 8.36 4.28 0.00 2.90 2.87 0.00 0.00 6.72 7.77 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 95 E 8.42 3.94 0.00 1.92 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 0.00 2.33 2.37 0.00 96 L 8.03 4.51 0.00 1.68 1.72 0.92 0.81 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 97 G 7.68 3.83 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 0.00 0.00 0.00 98 I 7.74 4.38 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.82 0.00 0.00 99 S 9.23 4.93 0.00 4.09 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 0.00 100 T 8.58 4.09 4.54 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 1.20 0.00 0.00 101 P 0.00 4.25 0.00 2.19 2.16 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 102 E 8.10 4.46 0.00 2.12 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 0.00 2.52 2.54 0.00 103 E 8.12 4.12 0.00 2.23 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 2.36 2.39 0.00 104 L 7.53 4.72 0.00 1.64 1.74 1.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.16 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 0.00 0.00 0.00 106 L 8.75 4.46 0.00 1.73 1.70 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.89 4.69 0.00 2.82 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 0.00 108 K 7.61 4.47 0.00 1.88 1.85 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.44 7.81 109 V 8.44 3.77 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 0.66 0.00 0.00 0.92 0.00 0.00