NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4412 8.3349 115.4128 57.8910 64.3556 173.4554 2 K 4.1206 8.4840 123.2892 56.1962 32.9915 175.2004 3 T 4.2003 8.5002 117.7626 65.4375 70.9014 175.1353 4 N 4.3289 7.9643 121.1466 53.2044 39.6170 173.0663 5 P 4.2716 0.0000 0.0000 65.8750 31.4476 178.8615 6 R 3.8735 8.4265 116.7522 59.2695 30.1001 178.8193 7 L 4.1457 8.1311 119.4788 58.1628 41.8764 179.1829 8 S 4.1152 7.8596 114.7984 61.5088 62.7265 176.7120 9 S 4.0532 7.9691 117.8072 61.4582 62.6423 176.1126 10 L 4.0089 8.3415 123.3674 58.6065 41.7204 179.2492 11 I 3.7236 7.7283 118.9902 64.1224 36.9881 178.2322 12 A 3.9588 8.1094 121.7263 55.3402 18.3029 179.2921 13 D 4.2554 8.8367 118.3423 57.6869 40.9655 178.9949 14 L 3.9124 8.3249 119.6188 57.8599 41.5884 179.9930 15 K 4.0124 8.0406 118.2319 59.4697 32.0595 179.1612 16 S 4.0918 8.0575 113.2250 61.4250 62.2599 176.1381 17 A 3.9914 8.1286 122.9695 55.2937 17.9796 179.4650 18 A 4.8485 7.9368 119.1704 54.5617 18.4118 179.7467 19 R 4.1708 7.7499 115.6967 59.1632 30.6553 179.0388 20 S 4.2813 8.4054 113.5809 61.0249 63.4658 175.4414 21 S 4.5583 7.9581 117.0387 57.5860 63.7612 174.8766 22 G 4.0237 8.5444 107.3576 45.9059 0.0000 173.9846 23 G 3.5695 8.1115 110.0627 44.6046 0.0000 174.7057 24 A 4.5622 8.2495 126.0980 52.5878 21.2846 178.9793 25 V 3.5298 7.3792 109.4582 64.1061 31.6307 178.1796 26 W 5.1175 7.6582 118.3582 60.2790 28.7125 178.7354 27 G 3.6849 8.1688 103.5181 47.5702 0.0000 174.9045 28 D 4.4189 7.7748 120.2350 57.2829 41.3232 178.1044 29 V 3.6126 8.9628 119.5774 66.3277 31.5118 177.9636 30 A 4.0150 8.5154 120.5600 55.2841 18.0114 179.5051 31 E 3.9728 8.0334 116.1347 59.3296 29.6891 179.2629 32 R 4.0883 7.8816 118.4491 59.2789 30.1416 178.3290 33 L 3.8342 7.9098 117.6815 57.4634 41.6271 178.9051 34 E 4.1862 7.9682 117.2843 57.4475 29.6080 177.3787 35 K 4.3457 7.5460 118.6330 54.6034 33.2906 174.8959 36 P 4.2784 0.0000 0.0000 62.9910 31.8770 177.8415 37 R 3.5652 8.7207 121.0065 59.3513 30.0832 179.0123 38 R 3.9323 7.9170 112.5925 58.2894 29.5021 177.0282 39 T 4.3796 7.9578 107.9530 61.7551 69.3986 174.6840 40 H 4.5508 8.0436 119.8956 55.3274 29.7282 174.8752 41 A 4.1940 8.1285 124.1336 52.3351 19.5394 176.9079 42 E 4.9229 8.7275 120.2506 54.5264 31.4984 174.3599 43 V 4.4681 8.6775 124.2113 60.9233 34.5647 174.2475 44 N 5.4632 8.4818 123.7406 51.3775 40.4696 175.9047 45 L 4.0310 8.8516 121.2930 58.3570 41.2805 180.1435 46 G 3.7124 7.9453 105.3833 47.5266 0.0000 175.2917 47 R 3.9093 8.2760 120.6743 58.4946 30.2612 178.6022 48 I 3.7621 7.5047 119.3681 64.4182 37.1159 177.7269 49 E 3.9506 8.2794 118.9054 59.0469 29.3475 178.2678 50 R 3.9899 7.0323 117.4183 57.7034 30.2224 176.2413 51 Y 4.8525 7.3351 112.7791 57.2516 39.3136 174.7903 52 A 4.8117 7.9806 123.3294 50.5187 20.8161 177.0372 53 Q 4.6827 7.7886 118.4411 53.8297 31.6283 175.3847 54 E 4.0946 8.5619 118.4715 57.4959 30.0782 176.4141 55 D 4.7582 8.7202 117.5904 55.0363 38.5013 173.8743 56 E 4.6582 7.6933 119.6849 54.7843 32.0157 174.8622 57 T 4.1833 8.6040 124.7735 63.9769 69.9032 173.6606 58 V 4.4716 8.5594 126.4646 61.8633 33.3696 174.5455 59 V 4.8187 9.2821 128.6955 61.1850 33.7725 174.2545 60 V 4.7700 8.3376 128.8924 59.6579 32.7392 174.8531 61 P 4.6093 0.0000 0.0000 60.9540 29.7206 174.5395 62 G 4.2169 7.1841 115.1110 47.4368 0.0000 174.2314 63 K 4.9687 9.4860 126.6303 54.3034 35.8256 174.5047 64 V 4.7540 8.1504 126.1276 61.5067 33.4445 174.6176 65 L 5.1115 9.6961 127.9022 52.7483 44.6358 177.6471 66 G 3.8417 8.7725 108.9299 46.6372 0.0000 174.4140 67 S 4.1011 8.1287 117.4872 59.4994 63.3438 175.1187 68 G 3.9973 8.7132 110.5697 45.0884 0.0000 172.3086 69 V 4.2477 7.9775 117.4049 60.6053 33.3355 174.3124 70 L 4.7450 8.5064 128.5085 53.6877 43.1864 175.2596 71 Q 4.4477 9.8821 126.6942 56.6520 30.3484 177.0125 72 K 4.0766 8.1955 115.9017 56.9652 32.5158 176.5282 73 D 5.4868 8.2323 121.6635 52.1392 39.9830 175.1231 74 V 4.5257 7.7765 115.2155 59.2825 36.5011 174.8237 75 T 4.8421 8.3615 119.1589 62.2952 69.9782 173.7367 76 V 4.5403 8.8339 128.2149 61.7870 33.3000 175.8414 77 A 5.6577 9.8018 127.0421 50.9000 20.3885 176.6830 *78 A 4.2426 8.0059 120.5341 51.8918 20.0830 177.5140 79 V 3.6372 8.0165 119.3792 65.9672 32.3892 175.8335 80 D 4.5612 7.0930 116.0620 53.4859 44.2462 174.6298 81 F 5.4795 9.0038 122.1447 55.3619 42.2965 175.3661 82 S 4.3451 8.9277 117.1328 58.0442 63.9354 175.5396 83 G 3.6802 8.8474 107.4537 48.7733 0.0000 175.5123 84 T 3.9312 8.1687 117.5679 65.7887 68.4033 176.2503 85 A 3.9970 8.1588 122.1288 55.4356 18.5644 179.0669 86 E 3.6536 8.2278 117.4749 60.3652 29.7599 178.7127 87 T 3.8563 8.1164 115.6863 65.9314 67.3730 176.3795 88 K 4.0650 8.0265 119.4538 60.0473 32.2812 179.2095 89 I 3.6720 8.1452 119.9442 64.6392 36.9693 178.2527 90 D 4.7947 7.9647 119.5132 56.4295 40.5694 178.8593 91 Q 4.0978 7.7435 117.9133 58.7612 29.1904 177.8660 92 V 4.2785 7.3818 111.7381 61.8894 33.7282 175.3664 93 G 4.1106 8.1849 111.7131 44.3801 0.0000 174.4526 94 E 4.8527 9.8166 127.1873 54.8010 33.2446 172.6981 95 A 4.8310 9.1432 129.9727 50.6966 20.2759 176.4534 96 V 4.6007 9.0610 122.0232 60.9675 35.9127 174.6853 97 S 5.0497 8.6201 119.8007 57.5319 64.2517 175.1989 98 L 3.8696 8.1454 122.9490 57.9584 41.1100 179.9994 99 E 3.8855 7.6934 118.0127 59.1665 29.3855 179.2266 100 Q 3.8905 8.1692 117.9631 58.7923 28.7662 178.2227 101 A 3.9988 7.9578 121.2773 55.5875 18.1942 179.4146 102 I 2.9003 7.5008 118.3463 64.2266 36.7832 178.3591 103 E 3.9669 7.4900 119.0301 59.3493 29.7975 178.2484 104 N 4.5935 8.3377 113.6322 54.1736 40.0234 174.9633 105 N 4.8825 7.8851 116.2276 52.2475 40.9813 173.3585 106 P 4.8978 0.0000 0.0000 65.3436 31.8895 178.2003 107 E 4.0350 8.5205 117.5960 56.9273 30.1922 176.0359 108 G 3.7509 8.3945 107.9255 46.4070 0.0000 172.6031 109 S 4.5933 8.2687 111.4873 57.5106 66.8004 174.2470 110 H 4.0231 8.4769 115.9326 57.0644 25.8278 174.6916 111 V 4.9251 7.2831 115.9210 59.9275 35.0803 175.9537 112 R 4.5914 9.3503 123.5007 54.5660 32.6728 174.5002 113 V 4.5834 8.3434 126.2019 62.1558 32.6399 174.9438 114 I 4.7833 8.5596 128.4664 59.3715 40.2702 175.8572 115 R 4.1910 8.4806 122.0394 56.3686 29.5345 174.9124 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 S 8.33 4.44 0.00 3.99 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 2 K 8.48 4.12 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.50 4.20 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 1.21 0.00 0.00 4 N 7.96 4.33 0.00 2.75 2.73 0.00 0.00 7.15 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 5 P 0.00 4.27 0.00 2.19 2.10 0.00 3.65 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 2.12 2.19 0.00 6 R 8.43 3.87 0.00 1.92 1.97 0.00 3.13 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 1.64 1.77 0.00 7 L 8.13 4.15 0.00 1.75 1.83 0.93 0.94 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 8 S 7.86 4.12 0.00 4.16 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 9 S 7.97 4.05 0.00 3.99 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 10 L 8.34 4.01 0.00 1.66 1.89 0.88 1.11 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 11 I 7.73 3.72 2.01 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 1.45 0.73 0.92 0.00 0.00 12 A 8.11 3.96 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 13 D 8.84 4.26 0.00 2.68 2.65 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 14 L 8.32 3.91 0.00 1.89 1.93 0.93 0.74 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 15 K 8.04 4.01 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.67 7.81 16 S 8.06 4.09 0.00 3.90 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 17 A 8.13 3.99 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 18 A 7.94 4.85 1.54 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 0.00 0.00 19 R 7.75 4.17 0.00 1.95 2.01 0.00 3.19 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 1.66 1.87 0.00 20 S 8.41 4.28 0.00 3.89 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 21 S 7.96 4.56 0.00 4.26 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 22 G 8.54 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 23 G 8.11 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.56 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 25 V 7.38 3.53 1.68 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 0.61 0.00 0.00 -0.36 0.00 0.00 26 W 7.66 5.12 0.00 3.35 3.18 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 0.00 0.00 0.00 0.00 27 G 8.17 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 28 D 7.77 4.42 0.00 2.97 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 29 V 8.96 3.61 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 1.03 0.00 0.00 1.13 0.00 0.00 30 A 8.52 4.02 1.44 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 0.00 0.00 31 E 8.03 3.97 0.00 2.17 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 2.36 2.49 0.00 32 R 7.88 4.09 0.00 1.92 2.04 0.00 3.42 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 33 L 7.91 3.83 0.00 1.64 1.68 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.97 4.19 0.00 2.24 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 2.36 2.47 0.00 35 K 7.55 4.35 0.00 1.99 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.67 7.81 36 P 0.00 4.28 0.00 2.15 1.96 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.72 3.57 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 38 R 7.92 3.93 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.96 4.38 4.26 0.00 0.00 0.00 0.00 0.00 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 40 H 8.04 4.55 0.00 3.25 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.13 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.92 0.00 1.80 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 2.20 2.28 0.00 43 V 8.68 4.47 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 1.02 0.00 0.00 0.94 0.00 0.00 44 N 8.48 5.46 0.00 2.69 2.86 0.00 0.00 7.60 6.74 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 45 L 8.85 4.03 0.00 1.81 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.95 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 47 R 8.28 3.91 0.00 1.91 2.06 0.00 3.19 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 48 I 7.50 3.76 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.52 0.96 0.00 0.00 49 E 8.28 3.95 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 2.44 2.32 0.00 50 R 7.03 3.99 0.00 1.47 1.34 0.00 2.40 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 51 Y 7.34 4.85 0.00 2.95 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 52 A 7.98 4.81 1.32 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 0.00 0.00 0.00 53 Q 7.79 4.68 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 54 E 8.56 4.09 0.00 2.06 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 0.00 2.66 2.35 0.00 55 D 8.72 4.76 0.00 2.80 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 56 E 7.69 4.66 0.00 1.80 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 2.24 2.31 0.00 57 T 8.60 4.18 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 1.39 0.00 0.00 58 V 8.56 4.47 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.28 4.82 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 1.07 0.00 0.00 1.21 0.00 0.00 60 V 8.34 4.77 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 0.88 0.00 0.00 0.97 0.00 0.00 61 P 0.00 4.61 0.00 2.13 2.24 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.18 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 0.00 0.00 0.00 0.00 63 K 9.49 4.97 0.00 1.70 1.57 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81 64 V 8.15 4.75 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 1.06 0.00 0.00 0.75 0.00 0.00 65 L 9.70 5.11 0.00 1.83 1.54 0.93 0.73 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 66 G 8.77 3.84 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 0.00 0.00 0.00 67 S 8.13 4.10 0.00 4.24 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 68 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.25 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 0.93 0.00 0.00 70 L 8.51 4.75 0.00 1.59 1.54 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.88 4.45 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 72 K 8.20 4.08 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.44 1.84 7.81 73 D 8.23 5.49 0.00 2.79 2.55 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 74 V 7.78 4.53 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 0.78 0.00 0.00 0.96 0.00 0.00 75 T 8.36 4.84 4.29 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 1.27 0.00 0.00 76 V 8.83 4.54 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 1.08 0.00 0.00 1.03 0.00 0.00 77 A 9.80 5.66 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 *78 A 8.01 4.24 1.30 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 0.00 0.00 79 V 8.02 3.64 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 0.70 0.00 0.00 0.89 0.00 0.00 80 D 7.09 4.56 0.00 2.77 2.37 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 81 F 9.00 5.48 0.00 2.86 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 82 S 8.93 4.35 0.00 3.95 4.04 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 0.00 0.00 0.00 83 G 8.85 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 84 T 8.17 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 A 8.16 4.00 1.56 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 0.00 0.00 86 E 8.23 3.65 0.00 2.01 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 0.00 2.18 2.05 0.00 87 T 8.12 3.86 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 1.20 0.00 0.00 88 K 8.03 4.06 0.00 1.94 1.91 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 89 I 8.15 3.67 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 1.57 0.71 0.89 0.00 0.00 90 D 7.96 4.79 0.00 2.74 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 91 Q 7.74 4.10 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 92 V 7.38 4.28 2.20 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 0.76 0.00 0.00 1.00 0.00 0.00 93 G 8.18 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.82 4.85 0.00 2.00 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 2.19 2.22 0.00 95 A 9.14 4.83 0.50 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 0.00 0.00 96 V 9.06 4.60 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 1.08 0.00 0.00 0.92 0.00 0.00 97 S 8.62 5.05 0.00 4.19 4.04 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 0.00 0.00 0.00 98 L 8.15 3.87 0.00 1.69 1.62 0.99 0.79 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 99 E 7.69 3.89 0.00 2.14 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 0.00 2.28 2.31 0.00 100 Q 8.17 3.89 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.96 4.00 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 0.00 102 I 7.50 2.90 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.56 0.63 0.00 0.00 103 E 7.49 3.97 0.00 1.86 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 2.31 2.33 0.00 104 N 8.34 4.59 0.00 2.73 2.89 0.00 0.00 6.91 7.89 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 0.00 105 N 7.89 4.88 0.00 2.78 3.05 0.00 0.00 6.87 9.03 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 0.00 106 P 0.00 4.90 0.00 2.31 2.30 0.00 3.51 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.52 4.04 0.00 2.15 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 2.43 2.40 0.00 108 G 8.39 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 0.00 109 S 8.27 4.59 0.00 3.93 3.79 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 0.00 110 H 8.48 4.02 0.00 3.36 3.37 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 0.00 111 V 7.28 4.93 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 0.41 0.00 0.00 0.94 0.00 0.00 112 R 9.35 4.59 0.00 2.13 1.81 0.00 3.12 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 113 V 8.34 4.58 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 0.83 0.00 0.00 0.89 0.00 0.00 114 I 8.56 4.78 1.92 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 1.33 1.14 1.02 0.00 0.00 115 R 8.48 4.19 0.00 1.85 1.83 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.