NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.1066 8.1801 120.6128 54.6254 43.8149 176.8122 14 A 4.2553 7.6249 120.3360 52.3606 18.7293 176.1074 15 I 4.1700 7.7993 122.3659 64.0664 40.7828 176.7302 16 A 3.6334 7.2589 120.5037 54.2118 18.7791 178.8390 17 I 3.0628 7.3047 115.8439 64.3820 37.3540 177.1199 18 A 4.0367 8.0203 121.2674 55.1408 18.4342 177.2158 19 N 4.0719 7.3903 109.7432 53.8308 39.1999 174.0276 20 P 4.5425 0.0000 0.0000 63.1801 30.7085 177.4569 21 I 4.2971 7.8959 121.2878 61.4530 38.8542 177.1167 22 F 4.3768 8.3193 121.4570 61.1962 38.9880 174.8503 23 P 3.5121 0.0000 0.0000 65.7143 31.0563 178.4690 24 Q 4.0248 7.9620 114.4950 57.8294 28.7967 177.0952 25 L 4.6765 7.1443 118.6629 54.3171 43.9473 177.4141 26 D 4.5392 8.4077 118.3063 57.8905 40.9028 177.7304 27 S 4.1062 8.3419 116.1480 61.5769 62.4201 176.4507 28 Q 3.7895 8.1092 120.3666 59.1229 27.9906 179.3181 29 L 4.3184 7.7039 119.0448 56.6602 41.7247 178.2248 30 R 4.3167 8.3961 115.9719 56.2684 30.2957 176.5499 31 A 4.4717 7.7609 120.2846 51.2615 20.6579 175.8480 32 G 3.5729 7.8133 101.7957 46.3046 0.0000 172.1934 33 R 4.7065 7.5898 115.8205 54.6975 34.0392 174.8565 34 H 5.5456 8.6805 117.6016 53.1433 31.7389 175.0637 35 I 4.5002 8.2999 122.7010 59.8594 35.9862 177.0937 36 S 5.0737 8.2167 122.6538 58.6273 63.4979 174.7114 37 I 4.1994 8.3547 121.3655 62.8655 38.0839 177.1254 38 E 4.3258 8.3269 118.4544 58.0649 29.6700 177.1799 39 M 4.6424 7.4372 118.8991 52.5114 32.1206 175.6862 40 L 4.0305 8.2594 124.8072 58.1341 42.6705 179.0397 41 D 4.5352 8.1215 116.2466 56.3518 41.5714 176.7994 42 E 4.4753 8.1603 117.9793 58.1841 31.2539 177.7534 43 H 4.0750 8.9930 118.6984 59.1016 29.9898 176.9868 44 A 4.2946 7.8580 119.5585 54.0592 16.8899 177.5439 45 F 4.6167 7.8344 116.1928 58.3625 39.7989 176.4579 46 L 4.1783 8.1000 118.5734 55.8087 42.3984 177.1116 47 M 4.2928 7.6626 116.8822 55.5576 32.5787 176.5053 48 D 4.4286 7.4022 117.6748 54.5222 42.4111 175.7700 49 F 4.5625 6.7129 119.0135 55.6946 40.0679 173.5743 50 Q 4.4025 8.2428 123.8921 57.8859 30.8948 178.1060 51 T 4.0598 7.6996 113.9555 66.3945 68.5547 176.8039 52 E 3.9861 8.1545 120.7245 58.9914 29.6753 177.6086 53 L 4.2134 7.2107 116.0715 54.5446 41.5485 176.9319 54 E 4.5449 7.7948 116.9527 54.8189 31.7485 176.1581 55 S 4.5342 7.5917 109.8665 59.6127 63.2539 174.6495 56 F 4.6556 7.9231 122.5027 60.8295 39.6071 176.1326 57 Y 4.4567 7.8703 113.8879 59.2443 37.8188 177.2253 58 R 4.0238 7.8758 119.6535 58.1746 30.5801 177.9869 59 R 4.1826 7.6313 114.2386 57.8241 30.1776 176.4952 60 Y 4.4686 7.9133 114.6478 57.2728 39.6044 174.9906 61 H 4.2768 9.0293 116.8649 56.7739 26.1987 174.6525 62 V 4.7301 8.6005 117.4171 61.2036 34.7120 173.6704 63 D 4.9379 8.5443 125.7677 52.3975 42.7841 177.7160 64 L 4.7441 8.6218 129.6018 55.2593 41.2068 176.7225 65 I 3.2284 6.7150 119.2745 60.9906 38.0293 175.5278 66 R 3.6702 7.8241 124.8315 53.2212 29.7525 174.4394 67 A 3.7417 7.2066 126.5926 51.2854 18.8019 176.9424 68 P 4.0789 0.0000 0.0000 65.7196 31.1180 176.9595 69 E 4.1462 8.0033 113.9512 55.7114 30.1145 175.2966 70 G 4.1367 8.3857 109.5665 45.0975 0.0000 174.5978 71 F 4.2056 8.8277 112.4659 56.1480 39.4933 175.9525 72 F 4.5820 8.5404 121.2480 55.8722 41.7044 173.6826 73 Y 4.9351 6.9760 114.2734 57.8749 42.4535 172.2012 74 L 5.0211 8.9317 117.8044 54.0637 45.9791 176.6977 75 R 4.6867 8.2128 119.6574 53.4963 30.1997 171.8024 76 P 4.3595 0.0000 0.0000 62.5535 32.3269 177.8484 77 K 4.2106 8.2929 123.3511 56.5573 32.2633 176.0237 78 A 4.1781 8.7132 121.4748 55.9960 18.9831 180.0371 79 S 4.5732 7.6544 110.2412 58.5369 63.0261 173.9636 80 T 4.2559 7.5166 114.8320 61.5264 68.9038 173.0773 81 L 4.4526 8.8847 121.7865 56.0865 43.1493 178.0378 82 I 4.0220 7.6103 117.4962 60.2552 37.8571 175.6654 83 A 4.0789 8.5142 126.8831 52.6201 18.7557 176.9197 84 R 4.7216 8.2675 120.7523 54.8070 33.1724 175.2043 85 S 4.4127 8.2638 118.1219 57.9733 66.1435 172.2256 86 A 4.7074 8.3414 123.9014 51.1837 20.4386 175.3713 87 M 4.0723 8.3152 124.2444 54.4576 32.6430 179.5710 88 S 4.8762 7.0327 115.2982 58.1763 67.8406 174.3339 89 E 4.4978 8.1336 115.2024 58.5030 31.1353 177.7495 90 M 3.7793 8.1057 115.7983 58.5194 32.2733 177.3437 91 E 4.1212 8.0732 118.0161 58.4683 30.0440 177.4129 92 M 3.8781 7.6113 116.1999 56.1857 32.2655 176.7655 93 L 4.1812 8.9384 120.4314 56.7348 42.2138 177.2366 94 V 4.1678 7.0620 116.6495 63.2302 31.3616 176.2928 95 G 2.6653 7.0690 104.0157 46.0664 0.0000 175.6687 96 K 4.2388 7.8266 120.5927 58.9062 31.9411 179.3840 97 V 3.9066 7.2379 118.0657 64.9363 31.3629 177.1207 98 L 4.1992 7.2522 116.8818 56.3144 41.9993 176.8916 99 C 4.4739 7.3454 114.8126 60.0939 32.2329 173.4517 100 Y 4.4574 8.4848 120.9558 60.1639 38.9573 176.7180 101 L 4.0888 7.8758 116.5559 56.0363 42.4370 176.7594 102 Y 4.1367 7.8706 119.2955 58.3106 39.2341 175.8286 103 L 4.8137 7.0779 119.1909 54.7257 42.2758 176.1122 *181 S 4.8662 7.7386 113.8951 58.7255 64.1992 173.5011 182 E 3.9169 8.4323 118.1205 58.2471 29.4620 178.5167 183 A 2.9395 7.1509 120.7913 53.3573 18.3817 178.0885 184 V 4.3827 7.0497 113.7315 61.3214 31.7309 176.5688 185 F 4.2948 7.8376 119.5213 58.9208 39.4988 177.3720 186 R 4.1282 7.5126 120.1576 59.1747 30.0318 178.5941 187 F 4.5422 7.6167 111.6214 58.2888 38.6335 176.1601 188 G 4.1904 8.2066 109.7612 44.4482 0.0000 173.3849 189 A 4.5633 8.0258 117.3803 51.5446 19.2927 177.1416 190 D 4.6453 7.7321 117.6788 53.1407 41.0917 175.3533 *207 D 4.4615 8.7695 123.1286 53.2126 42.4694 175.7645 208 G 3.8821 8.2225 106.3450 46.7519 0.0000 174.7023 209 E 4.2892 8.3112 119.8385 57.0048 30.3417 175.4814 210 A 4.6749 7.5029 118.9967 51.8977 22.2438 174.4757 211 T 4.6088 7.8204 112.8464 62.8627 72.3981 174.1803 212 T 4.0724 8.3791 116.8938 62.5158 67.4049 174.3421 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 13 L 8.18 4.11 0.00 1.59 1.69 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.62 4.26 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 15 I 7.80 4.17 1.66 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 1.28 1.25 0.85 0.00 0.00 16 A 7.26 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.30 3.06 1.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.14 0.74 0.00 0.00 18 A 8.02 4.04 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 19 N 7.39 4.07 0.00 2.79 3.00 0.00 0.00 7.34 7.59 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 20 P 0.00 4.54 0.00 2.05 2.03 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 21 I 7.90 4.30 1.54 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.64 0.00 0.00 22 F 8.32 4.38 0.00 3.25 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 23 P 0.00 3.51 0.00 2.08 1.93 0.00 3.60 0.00 0.00 3.97 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 24 Q 7.96 4.02 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 25 L 7.14 4.68 0.00 1.55 1.68 1.04 1.22 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 26 D 8.41 4.54 0.00 1.87 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 0.00 0.00 0.00 0.00 27 S 8.34 4.11 0.00 3.83 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 28 Q 8.11 3.79 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 29 L 7.70 4.32 0.00 1.86 1.74 1.25 0.87 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 30 R 8.40 4.32 0.00 1.80 1.91 0.00 3.07 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.87 0.00 31 A 7.76 4.47 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 32 G 7.81 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 33 R 7.59 4.71 0.00 1.86 1.96 0.00 3.24 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 34 H 8.68 5.55 0.00 3.21 3.59 0.00 5.76 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 35 I 8.30 4.50 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.96 0.00 0.00 36 S 8.22 5.07 0.00 4.00 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 0.00 37 I 8.35 4.20 1.88 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 1.01 1.13 0.84 0.00 0.00 38 E 8.33 4.33 0.00 2.03 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 2.39 2.43 0.00 39 M 7.44 4.64 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 40 L 8.26 4.03 0.00 1.70 1.71 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.12 4.54 0.00 2.71 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 42 E 8.16 4.48 0.00 2.07 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 2.32 2.29 0.00 43 H 8.99 4.08 0.00 3.41 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.86 4.29 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 45 F 7.83 4.62 0.00 3.35 3.26 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 0.00 46 L 8.10 4.18 0.00 1.19 0.93 0.37 0.73 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 47 M 7.66 4.29 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 48 D 7.40 4.43 0.00 2.20 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 49 F 6.71 4.56 0.00 2.79 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 50 Q 8.24 4.40 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 51 T 7.70 4.06 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 1.19 0.00 0.00 52 E 8.15 3.99 0.00 2.02 1.88 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 2.44 2.34 0.00 53 L 7.21 4.21 0.00 1.65 1.33 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.79 4.54 0.00 1.90 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 2.23 2.37 0.00 55 S 7.59 4.53 0.00 3.99 3.87 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 56 F 7.92 4.66 0.00 3.11 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 57 Y 7.87 4.46 0.00 3.02 2.99 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 58 R 7.88 4.02 0.00 2.03 1.97 0.00 3.14 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.09 0.00 59 R 7.63 4.18 0.00 1.96 2.00 0.00 3.17 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 60 Y 7.91 4.47 0.00 3.03 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 61 H 9.03 4.28 0.00 3.46 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.60 4.73 2.17 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 0.81 0.00 0.00 0.99 0.00 0.00 63 D 8.54 4.94 0.00 2.68 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 64 L 8.62 4.74 0.00 1.87 1.70 0.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 I 6.71 3.23 0.98 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 1.17 0.76 0.61 0.00 0.00 66 R 7.82 3.67 0.00 1.31 1.50 0.00 3.10 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 67 A 7.21 3.74 0.44 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 68 P 0.00 4.08 0.00 2.16 2.17 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 69 E 8.00 4.15 0.00 1.60 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 2.50 1.71 0.00 70 G 8.39 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 0.00 0.00 0.00 71 F 8.83 4.21 0.00 3.38 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 72 F 8.54 4.58 0.00 3.27 3.02 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 73 Y 6.98 4.94 0.00 3.37 3.50 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 74 L 8.93 5.02 0.00 1.66 1.57 0.74 0.85 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 75 R 8.21 4.69 0.00 1.96 1.88 0.00 3.42 0.00 0.00 3.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 76 P 0.00 4.36 0.00 2.10 2.19 0.00 3.79 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 2.22 2.14 0.00 77 K 8.29 4.21 0.00 1.82 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.62 7.81 78 A 8.71 4.18 1.29 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 0.00 0.00 79 S 7.65 4.57 0.00 3.87 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 80 T 7.52 4.26 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 1.38 0.00 0.00 81 L 8.88 4.45 0.00 1.71 1.53 0.71 0.91 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 82 I 7.61 4.02 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.89 0.00 0.00 83 A 8.51 4.08 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 84 R 8.27 4.72 0.00 1.75 1.78 0.00 3.27 0.00 0.00 3.56 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 85 S 8.26 4.41 0.00 3.86 3.76 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 86 A 8.34 4.71 1.23 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 87 M 8.32 4.07 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 88 S 7.03 4.88 0.00 4.07 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 89 E 8.13 4.50 0.00 1.99 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 2.28 2.31 0.00 90 M 8.11 3.78 0.00 1.98 2.09 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 2.55 2.61 0.00 91 E 8.07 4.12 0.00 2.02 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 2.34 2.33 0.00 92 M 7.61 3.88 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.68 0.00 93 L 8.94 4.18 0.00 1.51 1.56 0.87 0.70 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 94 V 7.06 4.17 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 0.77 0.00 0.00 0.90 0.00 0.00 95 G 7.07 2.67 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 96 K 7.83 4.24 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.82 1.64 7.81 97 V 7.24 3.91 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 1.04 0.00 0.00 0.89 0.00 0.00 98 L 7.25 4.20 0.00 1.73 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.35 4.47 0.00 3.12 3.03 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 0.00 0.00 0.00 0.00 100 Y 8.48 4.46 0.00 2.93 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 0.00 101 L 7.88 4.09 0.00 1.74 1.70 0.96 0.84 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 0.00 102 Y 7.87 4.14 0.00 3.17 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 0.00 103 L 7.08 4.81 0.00 1.53 1.57 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *181 S 7.74 4.87 0.00 3.85 3.92 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 0.00 182 E 8.43 3.92 0.00 2.28 1.73 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 2.52 2.28 0.00 183 A 7.15 2.94 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 0.00 184 V 7.05 4.38 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 0.46 0.00 0.00 1.04 0.00 0.00 185 F 7.84 4.29 0.00 3.02 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 7.51 4.13 0.00 1.28 1.56 0.00 2.21 0.00 0.00 2.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 187 F 7.62 4.54 0.00 3.18 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 0.00 188 G 8.21 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 0.00 0.00 0.00 0.00 189 A 8.03 4.56 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 0.00 190 D 7.73 4.65 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 D 8.77 4.46 0.00 2.74 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 0.00 208 G 8.22 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 0.00 209 E 8.31 4.29 0.00 1.99 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 0.00 2.30 2.28 0.00 210 A 7.50 4.67 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 0.00 211 T 7.82 4.61 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 0.00 212 T 8.38 4.07 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 * Residues marked with a * may have inaccurate shift predictions.