NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4121 0.0000 0.0000 62.6486 32.7021 175.6413 3 K 4.5923 8.4809 122.4926 54.5903 35.3332 169.9254 4 V 4.8314 8.4335 114.4874 59.8579 36.4194 174.4127 5 T 5.0980 8.0840 110.6151 60.2164 71.5192 173.7876 6 V 4.8563 8.8805 123.5502 61.5284 34.8111 174.1104 7 S 5.1711 9.2925 125.1331 57.4642 64.7437 173.2526 8 I 5.0080 9.0125 125.5448 59.3284 40.1027 174.4224 9 K 4.7983 9.0671 127.7388 54.5083 35.1515 174.6081 10 V 4.7714 8.5203 126.8713 61.2446 33.7677 175.1473 11 V 4.4522 8.9844 128.0367 60.3015 33.0214 172.4913 12 P 4.9800 0.0000 0.0000 62.4440 32.6034 176.8013 13 A 4.5621 8.8478 125.2264 50.8185 17.3456 176.9129 14 V 4.5119 7.7190 112.3672 59.0505 36.3519 175.0806 15 E 4.0441 8.6865 119.7286 56.4317 30.2776 177.3716 16 D 4.4118 9.0437 120.7266 58.0097 40.8870 179.3730 17 G 3.7170 7.4440 105.1140 47.1403 0.0000 174.7308 18 R 4.4182 8.0452 118.0417 55.7775 30.7581 177.9015 19 L 4.0367 7.4319 120.4511 58.4820 41.5753 179.1633 20 H 4.3342 7.6704 115.3163 58.4222 28.8174 177.3329 21 E 3.7924 7.9729 120.7919 59.2633 29.6024 178.7990 22 V 3.3690 7.2111 116.8822 66.0630 31.4795 178.0428 23 I 3.6205 7.5466 118.9655 64.3242 36.8485 177.8316 24 D 4.3120 8.2512 120.1225 57.8007 40.6162 179.5178 25 R 3.7830 7.6210 117.4171 58.8675 29.8550 178.9803 26 A 3.9601 7.8225 120.6175 55.2528 18.4420 179.7815 27 I 3.3758 7.7738 118.4542 64.2420 36.9197 178.1021 28 E 3.7514 7.9105 119.1310 59.1807 29.7069 178.5246 29 K 3.7917 7.9953 119.4758 59.5798 32.3844 178.6664 30 I 2.0000 7.3044 120.3891 63.6336 36.6072 178.5219 31 S 3.4320 7.1753 113.9614 60.5175 62.8256 175.9879 32 S 4.3129 7.3081 116.3661 59.7462 63.0885 175.1434 33 W 4.3824 7.7296 122.0177 58.0196 29.6669 175.6773 34 G 3.5450 7.9872 105.2033 45.3017 0.0000 172.8000 *36 K 4.2758 7.4290 119.5843 56.6498 34.1254 174.7428 37 Y 5.4544 7.9891 123.3413 55.8401 41.5782 173.7046 38 E 4.4926 9.3324 121.0872 54.6364 33.2188 174.1285 39 V 4.2638 8.7024 127.5134 62.1950 32.2880 175.4341 40 G 4.1916 9.0636 117.1597 42.5758 0.0000 172.1869 41 P 4.4454 0.0000 0.0000 64.7612 31.1400 177.2838 42 S 4.6352 7.6055 110.8435 58.0638 64.8512 172.6245 43 N 4.7331 7.2913 117.7634 52.7851 41.1673 173.2396 44 T 5.0528 8.7321 116.0516 62.1192 71.5672 173.4809 45 T 5.0461 9.0671 123.6815 62.1811 70.6443 174.2043 46 V 4.9792 8.9149 119.8981 59.6763 34.7538 174.2574 47 E 5.0265 8.9919 124.7525 54.2171 31.6781 176.0432 48 G 3.9649 7.9079 113.2124 45.9844 0.0000 170.8314 49 E 4.3791 8.0278 120.1758 55.6503 30.4599 178.0178 50 F 4.3684 9.0630 128.8527 61.6266 39.7011 176.1988 51 E 3.7373 8.4796 118.1321 59.1139 29.7607 178.0143 52 E 3.9298 8.4777 119.8437 59.2682 29.8677 179.8107 53 I 3.7185 7.5822 117.9708 61.6171 36.4965 177.6534 *55 D 4.4238 8.2263 122.4856 54.4692 42.7205 178.3471 56 R 3.4608 7.6163 118.1077 58.7756 29.6286 179.2816 57 V 3.7081 7.7683 118.4955 65.6875 31.4215 178.0195 58 K 3.9134 8.0062 117.8594 59.7470 31.8951 178.8470 59 E 4.0076 7.9012 118.4211 59.2127 29.2893 179.0367 60 L 4.1432 8.3689 120.3754 58.3461 41.9765 178.9093 61 A 4.2978 7.9966 119.0670 55.4465 18.1994 179.4870 62 R 4.1094 8.0079 116.2878 59.5075 29.6383 178.6120 63 Y 4.2011 8.3974 119.4219 60.9043 38.8075 178.3101 64 L 4.1289 8.4310 119.6958 57.3060 40.1798 178.9424 65 E 4.5321 8.2824 120.6189 58.5495 29.2885 178.4361 66 Q 3.7640 7.3296 115.2445 57.9186 28.7179 177.2347 67 F 4.8112 7.6843 118.4690 57.1229 40.4482 175.9542 68 A 4.6671 7.2207 121.5193 50.7061 21.8501 177.1149 69 K 4.1646 8.8271 122.9724 58.4093 32.7613 177.2249 70 R 4.6729 7.8687 119.4200 54.4150 33.0930 173.7292 71 F 5.3722 8.0403 119.6342 55.7491 41.0896 173.4881 72 V 4.1741 8.9744 121.2439 61.9800 32.9767 174.3529 73 L 5.3258 8.6685 129.1917 53.4644 44.5769 175.1643 74 Q 4.7999 9.2925 125.2528 54.0383 32.1010 174.3639 75 L 5.2433 8.7099 123.1566 52.9293 44.5939 175.3293 76 D 4.8638 9.2327 123.7193 52.7705 43.3499 174.3146 77 I 4.9096 8.4159 127.0639 59.6983 39.5099 174.9214 78 D 4.7100 9.1665 127.9129 53.1798 42.3130 174.3144 79 Y 4.3277 8.5601 128.1523 55.6204 40.4465 174.6951 80 K 4.4883 8.0259 127.0786 53.8559 35.0267 174.9517 81 A 4.0794 8.6537 129.3894 53.9148 18.5854 177.5190 82 G 3.8485 8.4336 112.1311 44.4237 0.0000 174.0991 83 G 3.9794 8.5406 106.1918 45.3851 0.0000 172.9531 84 I 4.7618 8.2272 119.6978 58.4305 40.9669 174.8152 85 T 4.8514 8.2180 115.4530 59.0943 73.0416 175.2245 86 I 3.7279 8.9190 123.1971 64.8383 37.1207 178.6679 87 E 4.0052 8.1736 118.7021 59.5793 29.1113 179.1855 88 E 3.9830 7.8569 117.5362 59.0491 29.5147 179.0016 89 K 4.2948 7.5693 116.8779 58.0276 32.6509 178.5580 90 V 4.5940 7.8749 110.7982 61.2804 33.4843 177.9878 91 S 4.1364 8.3313 114.9037 61.1543 62.5136 176.5045 92 K 3.9622 7.9126 120.6860 58.9623 32.3739 176.9509 93 Y 4.5314 7.5536 116.5709 57.7094 38.1547 175.7784 94 R 4.2483 7.8295 125.3031 56.4112 31.0128 175.0861 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 2 P 0.00 4.41 0.00 1.98 2.02 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 3 K 8.48 4.59 0.00 1.79 1.76 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.54 7.81 4 V 8.43 4.83 2.21 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 0.52 0.00 0.00 1.22 0.00 0.00 5 T 8.08 5.10 4.30 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 1.24 0.00 0.00 6 V 8.88 4.86 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 1.21 0.00 0.00 1.14 0.00 0.00 7 S 9.29 5.17 0.00 3.83 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 8 I 9.01 5.01 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.98 0.00 0.00 9 K 9.07 4.80 0.00 1.82 1.65 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 10 V 8.52 4.77 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 0.66 0.00 0.00 0.90 0.00 0.00 11 V 8.98 4.45 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 1.07 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.98 0.00 2.16 2.06 0.00 3.83 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 1.99 1.95 0.00 13 A 8.85 4.56 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.72 4.51 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 0.79 0.00 0.00 0.93 0.00 0.00 15 E 8.69 4.04 0.00 2.14 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 2.36 2.30 0.00 16 D 9.04 4.41 0.00 2.81 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 17 G 7.44 3.72 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 0.00 0.00 0.00 18 R 8.05 4.42 0.00 1.93 1.92 0.00 3.15 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 19 L 7.43 4.04 0.00 1.83 1.71 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.67 4.33 0.00 3.14 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.97 3.79 0.00 1.97 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 2.20 2.25 0.00 22 V 7.21 3.37 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 0.85 0.00 0.00 0.92 0.00 0.00 23 I 7.55 3.62 1.98 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 1.77 0.70 0.87 0.00 0.00 24 D 8.25 4.31 0.00 2.78 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 25 R 7.62 3.78 0.00 1.56 1.75 0.00 2.85 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 26 A 7.82 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.38 1.76 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 1.31 0.86 0.80 0.00 0.00 28 E 7.91 3.75 0.00 1.98 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 2.25 2.26 0.00 29 K 8.00 3.79 0.00 1.63 1.78 0.00 1.55 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 30 I 7.30 2.00 1.32 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.37 0.09 0.00 0.00 31 S 7.18 3.43 0.00 3.82 3.58 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 32 S 7.31 4.31 0.00 4.06 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 33 W 7.73 4.38 0.00 3.45 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 34 G 7.99 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 0.00 0.00 0.00 *36 K 7.43 4.28 0.00 1.90 1.78 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 37 Y 7.99 5.45 0.00 3.05 2.86 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 0.00 0.00 0.00 38 E 9.33 4.49 0.00 1.96 1.79 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 2.19 2.20 0.00 39 V 8.70 4.26 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 0.83 0.00 0.00 1.05 0.00 0.00 40 G 9.06 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 41 P 0.00 4.45 0.00 2.18 2.20 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 42 S 7.61 4.64 0.00 3.97 3.99 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 43 N 7.29 4.73 0.00 3.09 2.94 0.00 0.00 6.59 7.10 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 44 T 8.73 5.05 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 1.25 0.00 0.00 45 T 9.07 5.05 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 46 V 8.91 4.98 2.31 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 0.77 0.00 0.00 1.24 0.00 0.00 47 E 8.99 5.03 0.00 2.00 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 2.25 2.25 0.00 48 G 7.91 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.03 4.38 0.00 2.00 1.83 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 2.41 2.26 0.00 50 F 9.06 4.37 0.00 2.96 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 51 E 8.48 3.74 0.00 1.96 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 2.36 2.55 0.00 52 E 8.48 3.93 0.00 2.06 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 2.12 2.15 0.00 53 I 7.58 3.72 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.98 0.00 0.00 *55 D 8.23 4.42 0.00 2.69 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 56 R 7.62 3.46 0.00 0.67 0.66 0.00 2.43 0.00 0.00 2.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 57 V 7.77 3.71 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 1.11 0.00 0.00 1.11 0.00 0.00 58 K 8.01 3.91 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.49 7.81 59 E 7.90 4.01 0.00 2.12 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 2.32 2.37 0.00 60 L 8.37 4.14 0.00 2.24 2.09 1.04 1.48 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 61 A 8.00 4.30 1.52 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 0.00 0.00 62 R 8.01 4.11 0.00 2.04 2.06 0.00 3.35 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 63 Y 8.40 4.20 0.00 3.19 3.33 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 0.00 0.00 0.00 0.00 64 L 8.43 4.13 0.00 1.37 1.14 0.58 1.08 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 65 E 8.28 4.53 0.00 2.20 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 0.00 2.31 2.24 0.00 66 Q 7.33 3.76 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 67 F 7.68 4.81 0.00 3.04 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 68 A 7.22 4.67 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 69 K 8.83 4.16 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 70 R 7.87 4.67 0.00 1.86 1.74 0.00 3.15 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 F 8.04 5.37 0.00 3.14 2.96 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 0.00 0.00 0.00 72 V 8.97 4.17 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 1.04 0.00 0.00 0.96 0.00 0.00 73 L 8.67 5.33 0.00 2.01 1.68 1.09 0.91 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 74 Q 9.29 4.80 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 75 L 8.71 5.24 0.00 1.58 1.66 1.01 1.10 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 76 D 9.23 4.86 0.00 2.80 2.57 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 77 I 8.42 4.91 1.97 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 1.03 0.00 0.00 78 D 9.17 4.71 0.00 2.74 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 79 Y 8.56 4.33 0.00 2.85 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 80 K 8.03 4.49 0.00 1.74 1.51 0.00 1.77 0.00 0.00 2.02 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 81 A 8.65 4.08 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 82 G 8.43 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 0.00 0.00 0.00 83 G 8.54 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 84 I 8.23 4.76 1.84 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 1.36 0.75 0.89 0.00 0.00 85 T 8.22 4.85 4.39 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 1.23 0.00 0.00 86 I 8.92 3.73 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.92 0.00 0.00 87 E 8.17 4.01 0.00 2.01 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 2.40 2.41 0.00 88 E 7.86 3.98 0.00 2.07 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 2.35 2.35 0.00 89 K 7.57 4.29 0.00 1.95 1.90 0.00 1.75 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 90 V 7.87 4.59 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 0.97 0.00 0.00 1.03 0.00 0.00 91 S 8.33 4.14 0.00 4.03 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 92 K 7.91 3.96 0.00 1.60 1.79 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.97 0.21 7.81 93 Y 7.55 4.53 0.00 3.14 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 94 R 7.83 4.25 0.00 1.89 1.77 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.