NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7333 8.1333 121.3336 56.0820 31.0754 177.2862 20 K 4.1329 8.0031 117.3160 58.5401 31.5354 177.2204 21 D 4.3536 8.8511 119.4391 57.5405 41.7419 178.0894 22 K 4.6879 7.9800 119.7960 58.6990 32.1421 178.8337 23 E 3.9686 8.7635 120.2560 59.3650 29.4989 178.7713 24 F 4.2579 8.5266 120.6391 61.4428 39.6217 177.0822 25 Q 3.9615 8.3150 117.7969 58.9467 28.4123 179.0781 26 V 3.6158 8.3048 119.6863 66.0050 31.5264 178.1427 27 L 3.9790 8.0358 118.8070 57.5218 41.3343 179.2595 28 F 3.3415 8.2984 121.0189 60.9905 39.2363 177.1785 29 V 3.2789 7.8319 117.8570 66.0727 31.2847 177.8892 30 L 3.8747 8.0009 118.7891 58.0640 41.3256 179.7808 31 T 3.6344 7.7362 115.7363 66.5021 68.3212 176.8578 32 I 3.3851 7.2335 121.8480 64.2871 36.9754 178.4890 33 L 4.0223 7.9318 120.0265 58.1304 41.5002 179.8177 34 T 3.9583 7.9231 115.7509 66.5917 68.3238 176.8780 35 L 4.2077 8.1530 121.3063 57.6832 41.5102 179.6176 36 I 3.7238 8.3146 120.3632 64.3928 37.1823 178.2672 37 S 4.2172 8.5048 114.4260 61.4917 62.1919 176.5470 38 G 3.7521 8.1132 109.4386 47.2655 0.0000 175.9973 39 T 4.0599 8.1860 118.1518 66.6623 68.1979 176.8641 40 I 3.7011 8.1015 122.0675 64.1005 36.9824 178.3657 41 F 3.5794 7.8796 121.0766 61.4845 39.1386 177.0206 42 Y 4.0166 7.8634 116.5016 60.7777 37.4072 178.4580 43 S 4.9758 8.2399 116.2410 60.2612 63.1722 175.8572 44 T 4.1653 6.9343 110.6515 63.5772 69.5835 176.3819 45 V 3.4410 7.2175 120.9662 64.6243 31.4588 176.3753 46 E 4.3576 7.8588 115.6951 55.2138 30.3044 175.5192 47 G 3.8720 7.7109 106.5167 46.7412 0.0000 173.4418 48 L 4.5970 7.2653 117.2519 52.3351 44.6238 177.3041 49 R 4.3088 8.0883 120.1596 55.4500 31.9158 176.0386 50 P 4.2304 0.0000 0.0000 66.1398 31.3242 178.7644 51 I 3.6955 7.7059 116.5038 64.2256 37.9278 177.5632 52 D 4.3164 7.9276 119.0869 57.2224 40.7576 178.3728 53 A 4.0696 8.5239 121.7499 55.0078 18.3191 179.5222 54 L 3.9814 8.3360 119.1764 58.4403 42.2126 178.4636 55 Y 3.9635 8.3087 119.6860 60.7624 38.7200 177.9515 56 F 4.2092 8.9077 122.0040 61.3252 39.4592 177.3270 57 S 4.2754 8.2483 114.9545 61.5097 62.6368 176.8819 58 V 3.4386 7.8743 120.9332 66.1989 31.3410 178.6579 59 V 3.5066 7.4913 111.9062 64.1406 31.2864 178.9450 60 T 3.6352 7.4291 115.8424 66.5673 68.1516 176.9270 61 L 4.0003 7.5952 119.1322 56.8113 41.6939 178.5018 62 T 4.0267 7.3587 107.6433 60.9453 69.2846 175.4110 63 T 3.4388 7.5471 110.5815 62.2700 68.2777 172.9877 64 V 3.5338 7.3021 122.2358 64.9235 31.5998 177.6500 65 G 3.9832 8.3375 102.7594 45.4964 0.0000 171.9715 66 D 4.9540 8.3455 117.9261 52.1480 42.6266 176.0297 67 G 3.9316 8.9567 114.9087 46.8853 0.0000 172.5799 68 N 4.8237 8.3836 116.0237 54.2247 40.9538 174.7119 69 F 4.7764 7.9876 117.1856 57.0473 40.7514 174.9881 70 S 4.2126 6.5978 120.7368 55.9710 66.7351 172.4108 71 P 4.0191 0.0000 0.0000 63.6209 31.4382 176.2500 72 Q 4.2613 9.0308 121.9986 57.1965 29.9087 176.8901 73 T 4.5445 7.9643 108.5675 60.7158 71.9143 175.6481 74 D 4.5326 8.5994 121.9381 57.1107 40.9405 178.9032 75 F 4.7683 8.4007 121.5054 61.3941 39.5265 177.3677 76 G 3.9198 8.6332 105.5536 47.6337 0.0000 175.9955 77 K 4.1777 8.2622 120.7396 59.4589 32.1042 179.5024 78 I 3.8236 7.8928 119.8625 64.3347 36.9840 178.3100 79 F 3.8753 8.3052 121.5059 61.4399 39.0149 177.2248 80 T 4.1071 8.3455 115.4843 66.8278 68.3736 176.4965 81 I 3.7808 7.8886 121.5595 64.5966 37.2009 178.5756 82 L 4.0959 7.7614 119.3061 57.7936 41.2392 178.8549 83 Y 3.9555 8.3187 119.9353 60.5790 38.5525 178.2431 84 I 3.5367 8.0078 120.8612 64.5474 37.0494 178.5239 85 F 4.0560 7.7080 116.5205 60.4588 38.7648 177.3684 86 I 4.1254 7.9192 118.6403 63.1697 37.3483 177.6798 87 G 3.6320 8.2184 106.1392 46.0125 0.0000 176.0130 88 I 3.9946 7.8743 122.6866 64.2533 37.0672 178.4462 89 G 3.7034 8.0784 106.0432 47.7846 0.0000 175.2708 90 L 3.9433 7.8031 122.7097 57.8156 42.2055 178.9781 91 V 3.5472 7.9374 118.3941 66.0904 31.3322 177.9117 92 F 4.0839 8.5722 117.4266 59.8299 38.7919 178.1393 93 G 3.6580 8.1738 106.0373 47.6334 0.0000 175.6834 94 F 4.2884 8.6834 123.4902 61.1861 39.4015 177.3502 95 I 3.4781 8.0300 119.6488 64.3618 36.7431 177.9086 96 H 4.1110 8.5422 119.3127 59.3849 29.7142 177.5604 97 K 3.9489 8.1354 120.2434 59.1821 31.7686 179.1636 98 L 3.6981 8.0934 120.8995 57.8827 41.9616 178.8896 99 A 4.2107 7.8800 122.0531 54.8249 18.1683 179.7826 100 V 3.5557 7.7545 115.4480 65.0147 31.7768 176.9457 101 N 4.7399 8.1237 113.4505 52.8366 39.3780 174.7356 102 V 3.9835 7.0440 118.1261 64.0789 33.6782 177.4452 103 Q 3.9027 8.3761 118.9938 58.6790 28.4087 178.3806 104 L 3.8957 7.9014 121.3530 57.8587 42.0809 177.3471 105 P 4.1838 0.0000 0.0000 65.4280 31.2424 178.6108 106 S 4.0152 7.8571 111.6035 61.2948 62.0980 176.2063 107 I 3.6646 7.9104 121.6720 64.4150 37.1711 178.0327 108 L 4.1025 8.1203 120.0067 57.9370 41.2714 179.5421 109 S 4.0949 8.2711 113.1568 61.3570 62.1343 175.2783 110 N 4.7021 8.0703 116.2733 54.1872 38.6157 176.0497 111 L 4.5347 7.4289 119.5241 53.4568 42.7879 176.5658 112 V 3.7719 6.8578 119.2280 61.6669 32.0076 173.7208 113 P 4.5425 0.0000 0.0000 62.4875 32.2863 176.3742 114 R 4.1933 8.3249 119.0711 56.4988 30.8636 175.2180 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 *19 W 8.13 4.73 0.00 2.44 2.36 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 20 K 8.00 4.13 0.00 1.88 1.91 0.00 1.63 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 21 D 8.85 4.35 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.98 4.69 0.00 1.85 1.88 0.00 2.06 0.00 0.00 2.07 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.33 7.81 23 E 8.76 3.97 0.00 2.13 2.23 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 2.41 2.39 0.00 24 F 8.53 4.26 0.00 3.15 3.32 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 25 Q 8.32 3.96 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.76 0.00 26 V 8.30 3.62 2.23 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 1.13 0.00 0.00 1.04 0.00 0.00 27 L 8.04 3.98 0.00 2.00 1.92 1.04 0.84 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 28 F 8.30 3.34 0.00 2.64 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 29 V 7.83 3.28 2.18 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 1.00 0.00 0.00 1.06 0.00 0.00 30 L 8.00 3.87 0.00 1.77 1.62 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.74 3.63 3.55 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 0.80 0.00 0.00 32 I 7.23 3.39 1.51 0.00 0.00 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 0.40 -0.34 0.70 0.00 0.00 33 L 7.93 4.02 0.00 1.74 1.68 0.88 0.90 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 34 T 7.92 3.96 4.31 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 1.19 0.00 0.00 35 L 8.15 4.21 0.00 1.77 1.72 0.80 1.08 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 36 I 8.31 3.72 2.02 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 1.39 0.85 0.91 0.00 0.00 37 S 8.50 4.22 0.00 3.95 4.20 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 0.00 0.00 0.00 0.00 38 G 8.11 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 39 T 8.19 4.06 4.42 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 1.29 0.00 0.00 40 I 8.10 3.70 1.99 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 1.40 1.34 0.87 0.00 0.00 41 F 7.88 3.58 0.00 2.54 2.18 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 42 Y 7.86 4.02 0.00 3.20 2.94 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 43 S 8.24 4.98 0.00 4.07 4.05 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 44 T 6.93 4.17 4.10 0.00 0.00 0.00 0.00 0.00 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 45 V 7.22 3.44 0.76 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 0.47 0.00 0.00 0.04 0.00 0.00 46 E 7.86 4.36 0.00 2.32 2.18 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 2.28 2.66 0.00 47 G 7.71 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 0.00 0.00 0.00 48 L 7.27 4.60 0.00 1.55 1.34 0.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.09 4.31 0.00 1.79 1.81 0.00 3.13 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 50 P 0.00 4.23 0.00 2.15 2.13 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 51 I 7.71 3.70 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.88 0.00 0.00 52 D 7.93 4.32 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.07 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 54 L 8.34 3.98 0.00 1.87 1.96 0.95 1.15 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 55 Y 8.31 3.96 0.00 3.17 3.13 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 0.00 56 F 8.91 4.21 0.00 3.17 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 57 S 8.25 4.28 0.00 4.24 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 0.00 58 V 7.87 3.44 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 0.88 0.00 0.00 0.93 0.00 0.00 59 V 7.49 3.51 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 0.02 0.00 0.00 0.79 0.00 0.00 60 T 7.43 3.64 4.10 0.00 0.00 0.00 0.00 0.00 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 61 L 7.60 4.00 0.00 1.44 1.51 0.42 0.43 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 62 T 7.36 4.03 4.12 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 1.03 0.00 0.00 63 T 7.55 3.44 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 1.28 0.00 0.00 64 V 7.30 3.53 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 0.75 0.00 0.00 0.91 0.00 0.00 65 G 8.34 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.35 4.95 0.00 2.95 3.11 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 67 G 8.96 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 0.00 0.00 0.00 68 N 8.38 4.82 0.00 2.72 2.89 0.00 0.00 6.80 7.30 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 69 F 7.99 4.78 0.00 2.97 3.20 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 0.00 0.00 0.00 0.00 70 S 6.60 4.21 0.00 3.61 3.54 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 71 P 0.00 4.02 0.00 2.10 2.21 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 72 Q 9.03 4.26 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 73 T 7.96 4.54 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 1.26 0.00 0.00 74 D 8.60 4.53 0.00 2.87 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 75 F 8.40 4.77 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 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 0.00 0.00 0.00 77 K 8.26 4.18 0.00 2.09 1.96 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.83 7.81 78 I 7.89 3.82 2.26 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 1.84 1.55 1.04 0.00 0.00 79 F 8.31 3.88 0.00 2.41 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.11 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 81 I 7.89 3.78 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 1.11 0.00 0.00 82 L 7.76 4.10 0.00 1.62 1.63 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.32 3.96 0.00 2.03 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 84 I 8.01 3.54 1.86 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 1.42 0.63 0.52 0.00 0.00 85 F 7.71 4.06 0.00 3.04 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 86 I 7.92 4.13 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 1.66 0.74 0.89 0.00 0.00 87 G 8.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.87 3.99 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.66 1.01 0.00 0.00 89 G 8.08 3.70 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 0.00 0.00 0.00 90 L 7.80 3.94 0.00 1.74 1.77 0.91 0.78 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 91 V 7.94 3.55 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 0.67 0.00 0.00 0.80 0.00 0.00 92 F 8.57 4.08 0.00 3.28 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 93 G 8.17 3.66 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 0.00 0.00 0.00 94 F 8.68 4.29 0.00 3.00 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 95 I 8.03 3.48 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.90 0.00 0.00 96 H 8.54 4.11 0.00 3.37 3.53 0.00 5.78 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 97 K 8.14 3.95 0.00 2.07 2.05 0.00 1.73 0.00 0.00 2.00 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.58 7.81 98 L 8.09 3.70 0.00 1.22 1.54 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.88 4.21 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 0.00 100 V 7.75 3.56 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 0.81 0.00 0.00 0.76 0.00 0.00 101 N 8.12 4.74 0.00 2.68 2.72 0.00 0.00 6.73 7.53 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 0.00 102 V 7.04 3.98 1.89 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 0.76 0.00 0.00 -0.20 0.00 0.00 103 Q 8.38 3.90 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 104 L 7.90 3.90 0.00 1.81 1.76 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.11 2.02 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 106 S 7.86 4.02 0.00 3.91 3.95 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 0.00 107 I 7.91 3.66 1.99 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 1.49 0.83 0.89 0.00 0.00 108 L 8.12 4.10 0.00 1.79 1.69 0.89 0.94 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 0.00 109 S 8.27 4.09 0.00 3.88 4.03 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 0.00 110 N 8.07 4.70 0.00 2.90 2.83 0.00 0.00 6.97 7.45 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 0.00 111 L 7.43 4.53 0.00 1.75 1.68 0.91 0.92 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 0.00 112 V 6.86 3.77 2.18 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 0.76 0.00 0.00 1.00 0.00 0.00 113 P 0.00 4.54 0.00 2.21 2.02 0.00 3.75 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 1.97 1.97 0.00 114 R 8.32 4.19 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.