NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 W 5.0005 8.1333 120.5366 56.6855 31.7655 173.2802 4 K 4.9815 9.0947 120.3674 54.8828 33.5499 174.3272 5 I 5.3475 9.7578 128.2837 59.4443 41.3836 174.2235 6 A 5.1101 8.8428 126.7446 50.0045 22.4054 175.1413 7 V 4.6254 8.9316 121.1356 61.0282 34.7715 174.3790 8 V 4.8834 8.2902 128.5582 61.5828 33.7434 173.8044 9 D 4.7970 8.7303 124.7825 53.5664 44.8508 176.0670 10 D 4.7365 9.0771 124.1103 54.0932 40.1302 175.4369 11 D 4.6268 8.6190 121.8856 52.7009 41.5212 176.1680 12 K 3.8170 8.8732 128.7695 60.1423 31.9906 177.9846 13 N 4.3902 8.5711 116.3453 56.2615 38.3224 177.5622 14 I 3.8432 7.8246 121.2991 64.3678 37.2471 178.3093 15 L 3.9587 7.9413 119.3803 57.6959 41.4601 179.5071 16 K 3.9235 7.9969 119.1491 59.2453 32.0763 178.7498 17 K 3.9191 8.0875 119.8622 59.5785 32.1192 178.8592 18 V 3.6892 8.1867 118.8720 65.9307 31.5020 177.9855 19 S 4.1100 8.0524 113.9283 61.8016 62.6184 176.4223 20 E 4.0209 8.0614 120.9608 58.0967 29.1409 178.8178 21 K 4.1897 7.4858 119.2831 58.9263 32.8730 178.1909 22 L 4.2580 8.1962 118.1306 56.1325 41.7503 178.4697 23 Q 4.2152 8.2024 120.8090 59.5469 28.6347 178.6942 24 Q 4.1112 8.0794 116.6522 58.7700 28.7223 177.6491 25 L 4.4765 8.6474 119.9156 56.3323 42.3408 177.2721 26 G 3.9414 7.3966 104.7599 44.8408 0.0000 171.6743 27 R 4.1323 7.9510 119.7548 56.4113 30.9670 176.2057 28 V 4.9888 8.5394 123.9077 61.0491 33.9058 174.5052 29 K 4.7322 9.3115 127.7939 54.7270 34.8039 175.1454 30 T 4.9614 8.0062 113.8909 59.8514 71.1368 173.3927 31 F 4.9624 9.2330 123.2309 55.9061 42.5733 175.9694 32 L 4.6163 9.2226 120.9778 55.5459 42.4073 176.3575 33 T 5.0070 7.9525 108.6946 58.8726 73.2598 174.9909 34 G 3.6702 9.0157 107.5557 47.8518 0.0000 175.5468 35 E 4.0332 9.2083 122.0962 59.2280 29.4535 178.5388 36 D 4.4947 8.1103 118.0300 57.3860 41.2524 178.4503 37 F 2.7024 7.8284 121.0136 60.8903 39.1812 177.2676 38 L 3.5668 7.7328 117.3932 57.5099 41.4540 178.5273 39 N 4.6249 7.9836 113.5851 53.3422 39.9716 175.3759 40 D 4.8024 7.1652 121.7224 52.2102 40.6698 176.7281 41 E 4.1556 7.8227 125.2565 55.8270 28.3078 177.1925 42 E 4.3617 7.4669 118.4846 54.7553 32.1984 174.5020 43 A 4.3697 8.0347 127.4377 51.0414 19.7423 176.8024 44 F 4.9935 8.5628 121.5875 56.0007 41.8972 175.6420 45 H 4.6493 9.4142 121.6588 58.3885 29.8765 175.7727 46 V 5.0613 8.0025 116.3768 61.0826 35.5404 174.5559 47 V 4.6478 8.7850 125.9726 61.1193 34.6037 174.3315 48 V 4.2863 8.9551 129.5123 61.9051 32.7395 174.2754 49 L 4.7577 8.8270 130.7882 52.9439 44.6284 175.4147 50 D 5.3682 8.7103 125.8541 53.3053 42.9510 175.6340 51 V 4.1460 7.7566 120.6012 62.8772 31.9297 175.4019 *53 L 4.4362 7.9468 117.4560 53.3550 42.8043 175.6690 54 P 4.3498 0.0000 0.0000 65.0388 31.0127 175.8056 55 D 4.6585 7.7156 114.9210 53.5448 41.6961 175.0596 56 Y 4.6468 7.6293 119.4155 55.2778 40.4275 176.5789 57 S 4.6549 8.4480 117.9741 57.8171 65.6382 175.9101 58 G 3.7126 9.0270 112.2380 47.4617 0.0000 175.8701 59 Y 4.3848 7.4524 118.6093 61.1368 37.7364 178.1722 60 E 4.0715 7.8941 118.5781 59.5224 29.6976 179.1443 61 I 3.8038 7.5063 118.5897 64.2503 37.3411 177.7274 62 C 4.2693 8.1411 119.6196 62.4122 31.3023 176.9315 63 R 4.2236 7.7942 117.0982 56.7876 29.4183 178.6629 *65 I 4.1412 7.7310 121.5617 61.4856 39.1610 178.3320 66 K 3.8683 8.2078 118.4702 59.4772 32.0826 178.2270 67 E 4.0912 8.3488 117.6996 59.7810 29.6676 178.7742 68 T 4.1207 7.9273 113.7313 65.8933 69.0049 175.7988 69 R 4.5108 8.5614 123.8490 52.9028 30.7288 173.8722 70 P 4.1304 0.0000 0.0000 65.3300 31.7122 178.0033 71 E 3.7743 7.9023 116.1068 58.7113 29.6794 177.3996 72 T 4.0186 7.4993 116.0682 63.6265 69.2943 173.9068 73 W 4.5584 8.9732 126.2018 55.5527 30.8729 175.3544 74 V 4.6079 9.4473 126.0628 61.1856 33.4072 174.3338 75 I 4.8767 8.5400 129.6525 59.4449 39.2570 175.0331 76 L 4.4369 8.5353 128.5651 54.2505 43.1464 176.2284 77 L 4.8491 8.7333 125.1943 53.7019 44.8275 174.9764 78 T 4.8024 8.3793 119.9502 60.8128 70.9088 174.4868 79 L 4.0329 8.5499 124.2432 56.7906 42.0572 177.6102 80 L 4.1408 7.9839 119.2243 55.3097 41.3173 176.9247 81 S 4.8391 8.5808 119.0793 58.0609 64.8669 174.5230 82 D 4.5833 7.8789 120.7177 52.8598 40.1699 176.7725 83 D 4.3395 8.8885 121.2417 57.9875 40.6298 179.1443 84 E 3.9323 8.2104 118.2461 59.6502 29.5788 179.4781 85 S 4.2723 8.2075 115.1354 61.2052 63.0289 176.9200 86 V 2.0000 7.2725 120.6361 65.4841 31.3254 177.9460 87 L 4.1185 7.9944 118.8228 57.7717 41.4787 179.7251 88 K 3.9513 7.8778 118.6683 58.9088 31.9514 179.7152 89 G 3.8192 7.9139 105.6799 48.1247 0.0000 175.9305 90 F 4.3224 7.9667 120.4466 59.9488 38.6412 177.4193 91 E 3.9387 8.1577 118.2581 58.9918 29.5012 178.0744 92 A 4.3056 7.6551 118.5815 52.6119 18.7308 177.9744 93 G 4.0135 8.0339 105.7671 44.9052 0.0000 174.0279 94 A 4.1305 7.6567 122.1219 52.3325 18.7110 178.0432 95 D 4.9760 8.9261 121.0050 55.4839 41.8209 175.9646 96 D 4.9003 7.6358 116.3456 53.6933 44.9220 173.6941 97 Y 4.7143 8.6647 123.2756 56.0767 41.3594 174.1243 98 V 4.6187 8.8736 127.7995 61.2552 34.2768 174.6650 99 T 5.0961 8.5550 116.8776 60.5078 70.8849 173.7972 100 K 4.9624 8.5303 122.8337 54.1310 33.9199 175.0278 101 P 4.4274 0.0000 0.0000 62.5155 32.0998 175.4187 102 F 4.9272 7.8816 114.3715 54.7957 40.9142 174.5070 103 N 4.6757 8.5770 119.3200 51.8364 39.9083 173.6781 104 P 4.6375 0.0000 0.0000 65.9915 31.5302 178.4748 105 E 4.0396 8.1674 116.9817 59.3230 29.3772 179.2245 106 I 3.7873 7.6167 119.5971 64.0918 37.2705 177.9995 107 L 3.8572 8.1946 121.3844 57.7761 41.8676 178.7204 108 L 3.8726 8.1068 120.1408 58.1307 42.0889 178.7220 109 A 3.9183 7.8168 120.4755 55.2933 18.3612 179.7735 110 R 3.5157 8.0108 116.5399 59.2001 30.1310 179.5238 111 V 3.6143 7.7613 117.9196 65.9057 31.6540 177.9328 112 K 3.7815 8.2815 118.9101 59.6672 31.7296 179.4419 113 R 3.8113 7.5657 114.4626 58.6972 29.5001 178.6545 114 F 3.7735 6.9583 117.4629 60.1032 38.7203 177.7184 115 L 3.5898 7.3517 117.1590 57.5541 41.3724 178.9891 116 E 4.1344 7.7491 116.3905 57.8686 29.4247 177.1723 117 R 4.2914 8.0539 123.6441 56.2525 30.3782 176.0228 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 3 W 8.13 5.00 0.00 3.41 3.36 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 4 K 9.09 4.98 0.00 1.88 1.82 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.61 7.81 5 I 9.76 5.35 2.00 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 1.33 1.09 1.02 0.00 0.00 6 A 8.84 5.11 0.23 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 7 V 8.93 4.63 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 0.91 0.00 0.00 0.90 0.00 0.00 8 V 8.29 4.88 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 0.81 0.00 0.00 0.37 0.00 0.00 9 D 8.73 4.80 0.00 2.70 2.41 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 10 D 9.08 4.74 0.00 2.81 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 11 D 8.62 4.63 0.00 2.71 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 12 K 8.87 3.82 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 13 N 8.57 4.39 0.00 2.92 2.85 0.00 0.00 7.04 6.95 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 14 I 7.82 3.84 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 1.02 0.00 0.00 15 L 7.94 3.96 0.00 1.84 1.71 0.95 0.81 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 16 K 8.00 3.92 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.44 7.81 17 K 8.09 3.92 0.00 2.11 1.95 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.58 7.81 18 V 8.19 3.69 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 0.99 0.00 0.00 0.91 0.00 0.00 19 S 8.05 4.11 0.00 4.11 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 20 E 8.06 4.02 0.00 2.03 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 0.00 2.36 2.60 0.00 21 K 7.49 4.19 0.00 1.88 2.01 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.55 7.81 22 L 8.20 4.26 0.00 1.75 1.72 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.20 4.22 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 Q 8.08 4.11 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 25 L 8.65 4.48 0.00 1.82 1.91 0.93 0.93 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 26 G 7.40 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.95 4.13 0.00 1.91 1.97 0.00 3.09 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 28 V 8.54 4.99 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 0.84 0.00 0.00 1.07 0.00 0.00 29 K 9.31 4.73 0.00 2.02 1.44 0.00 2.14 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.62 7.81 30 T 8.01 4.96 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 1.15 0.00 0.00 31 F 9.23 4.96 0.00 3.01 3.01 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 32 L 9.22 4.62 0.00 1.90 1.74 0.94 0.81 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 33 T 7.95 5.01 4.68 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 1.27 0.00 0.00 34 G 9.02 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 35 E 9.21 4.03 0.00 2.31 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 2.38 2.46 0.00 36 D 8.11 4.49 0.00 3.13 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 37 F 7.83 2.70 0.00 2.45 2.92 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 38 L 7.73 3.57 0.00 1.47 1.52 0.15 1.10 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 39 N 7.98 4.62 0.00 2.79 2.86 0.00 0.00 6.82 7.65 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 40 D 7.17 4.80 0.00 2.96 2.58 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 0.00 0.00 0.00 0.00 41 E 7.82 4.16 0.00 2.02 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 2.22 2.24 0.00 42 E 7.47 4.36 0.00 1.61 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 1.47 1.85 0.00 43 A 8.03 4.37 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 44 F 8.56 4.99 0.00 3.11 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 45 H 9.41 4.65 0.00 3.29 3.45 0.00 5.56 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 46 V 8.00 5.06 2.19 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 1.11 0.00 0.00 1.05 0.00 0.00 47 V 8.78 4.65 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 0.45 0.00 0.00 0.90 0.00 0.00 48 V 8.96 4.29 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 0.74 0.00 0.00 0.84 0.00 0.00 49 L 8.83 4.76 0.00 1.45 1.26 0.65 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.71 5.37 0.00 2.95 2.43 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 0.00 51 V 7.76 4.15 1.85 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 0.24 0.00 0.00 0.55 0.00 0.00 *53 L 7.95 4.44 0.00 2.04 1.65 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.35 0.00 2.18 2.19 0.00 3.74 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 2.02 1.98 0.00 55 D 7.72 4.66 0.00 2.61 2.70 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 0.00 0.00 0.00 56 Y 7.63 4.65 0.00 2.94 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 57 S 8.45 4.65 0.00 4.02 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 58 G 9.03 3.71 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 0.00 0.00 0.00 59 Y 7.45 4.38 0.00 3.06 2.91 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 60 E 7.89 4.07 0.00 2.18 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 2.46 2.48 0.00 61 I 7.51 3.80 1.77 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 1.21 0.57 0.77 0.00 0.00 62 C 8.14 4.27 0.00 3.09 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 63 R 7.79 4.22 0.00 2.19 1.95 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 *65 I 7.73 4.14 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.97 0.00 0.00 66 K 8.21 3.87 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.60 1.54 7.81 67 E 8.35 4.09 0.00 1.93 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 0.00 2.34 2.50 0.00 68 T 7.93 4.12 4.23 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 1.18 0.00 0.00 69 R 8.56 4.51 0.00 1.80 1.77 0.00 3.19 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 70 P 0.00 4.13 0.00 1.95 2.05 0.00 3.62 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 1.98 2.31 0.00 71 E 7.90 3.77 0.00 1.83 1.85 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 2.25 2.27 0.00 72 T 7.50 4.02 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 1.35 0.00 0.00 73 W 8.97 4.56 0.00 3.12 2.54 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 0.00 74 V 9.45 4.61 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 0.80 0.00 0.00 0.88 0.00 0.00 75 I 8.54 4.88 1.83 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 1.49 0.71 0.86 0.00 0.00 76 L 8.54 4.44 0.00 1.20 1.11 1.05 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.73 4.85 0.00 1.40 1.27 0.73 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.38 4.80 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 0.85 0.00 0.00 79 L 8.55 4.03 0.00 1.68 1.73 0.93 1.03 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 80 L 7.98 4.14 0.00 1.82 1.79 0.99 0.72 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 81 S 8.58 4.84 0.00 3.88 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 82 D 7.88 4.58 0.00 2.84 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 83 D 8.89 4.34 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.93 0.00 2.37 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 2.40 2.46 0.00 85 S 8.21 4.27 0.00 4.14 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 86 V 7.27 2.00 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 1.03 0.00 0.00 0.52 0.00 0.00 87 L 7.99 4.12 0.00 1.83 1.68 0.94 0.62 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 88 K 7.88 3.95 0.00 1.56 0.95 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.25 1.50 7.81 89 G 7.91 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 0.00 0.00 0.00 90 F 7.97 4.32 0.00 3.14 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 91 E 8.16 3.94 0.00 2.21 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 0.00 2.30 2.32 0.00 92 A 7.66 4.31 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.03 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 94 A 7.66 4.13 1.17 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 0.00 0.00 95 D 8.93 4.98 0.00 2.62 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 96 D 7.64 4.90 0.00 3.11 2.59 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 97 Y 8.66 4.71 0.00 2.43 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 98 V 8.87 4.62 1.92 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 0.93 0.00 0.00 0.89 0.00 0.00 99 T 8.56 5.10 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 1.40 0.00 0.00 100 K 8.53 4.96 0.00 1.70 1.83 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.45 7.81 101 P 0.00 4.43 0.00 2.08 1.99 0.00 3.72 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 1.98 1.93 0.00 102 F 7.88 4.93 0.00 3.09 3.21 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 0.00 103 N 8.58 4.68 0.00 2.83 2.80 0.00 0.00 6.88 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 0.00 104 P 0.00 4.64 0.00 2.25 2.24 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 105 E 8.17 4.04 0.00 1.99 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 2.41 2.35 0.00 106 I 7.62 3.79 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.92 0.00 0.00 107 L 8.19 3.86 0.00 1.65 1.80 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.11 3.87 0.00 1.90 1.84 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.82 3.92 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 0.00 110 R 8.01 3.52 0.00 1.87 1.75 0.00 3.08 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 1.49 1.73 0.00 111 V 7.76 3.61 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 1.01 0.00 0.00 0.96 0.00 0.00 112 K 8.28 3.78 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 113 R 7.57 3.81 0.00 1.68 1.83 0.00 2.21 0.00 0.00 2.67 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 114 F 6.96 3.77 0.00 2.70 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 0.00 115 L 7.35 3.59 0.00 1.45 0.95 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.75 4.13 0.00 2.03 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 2.33 2.52 0.00 117 R 8.05 4.29 0.00 2.16 2.13 0.00 3.52 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.