NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9983 8.2133 109.7413 44.7623 0.0000 173.8695 -2 P 4.1250 0.0000 0.0000 64.6532 31.7376 176.1273 -1 L 4.2193 8.5388 120.2739 57.7585 44.0555 178.0150 0 G 3.8646 7.3968 105.1874 47.2826 0.0000 174.1615 1 S 4.8171 8.9679 119.3394 57.5255 64.2600 172.5138 2 W 4.8842 8.1949 119.9386 57.0000 29.6430 176.5134 3 V 4.4129 9.1848 123.0098 61.4583 33.9155 174.2122 4 I 4.7828 8.1887 128.3362 59.0928 40.6942 173.7925 5 P 4.6006 0.0000 0.0000 60.6772 32.6868 174.0269 6 P 4.2837 0.0000 0.0000 62.9554 31.7967 175.8203 7 I 4.6045 8.1677 120.5201 59.6364 39.9286 174.5552 8 S 5.0183 8.6463 121.2970 56.6330 66.1178 172.9222 9 C 4.8835 8.8262 123.5405 56.7111 34.1504 171.4600 10 P 4.8853 0.0000 0.0000 61.9582 30.9190 176.1672 11 E 4.1549 8.7755 120.6687 56.4714 31.3024 176.2460 12 N 4.4495 8.6082 115.0277 54.3256 36.6701 175.0711 13 E 4.2422 7.5780 117.0335 56.4218 30.1625 176.9538 14 K 4.5143 8.2401 120.1341 55.1794 33.7596 178.4172 15 G 3.2439 8.1151 110.2255 44.0259 0.0000 171.4446 16 P 4.2909 0.0000 0.0000 62.7195 32.0169 175.5703 17 F 4.7575 8.2860 119.1503 55.3717 40.8364 173.9057 18 P 4.9013 0.0000 0.0000 62.8201 32.6184 175.1242 19 K 4.4800 8.8465 122.4266 54.3194 34.5939 175.1026 20 N 4.5674 8.6332 124.9121 54.0416 38.5159 173.8791 21 L 4.5692 9.5290 124.2633 55.8938 42.3270 177.1662 22 V 4.7552 7.5474 109.1485 60.1138 37.1880 173.1111 23 Q 4.1644 8.0280 122.9757 54.4293 30.0321 174.8041 24 I 4.1662 8.3213 128.5014 60.6587 38.9537 175.2932 25 K 4.6988 8.6455 124.2813 54.7682 37.0105 175.0029 26 S 5.1103 9.2577 118.6508 56.5466 64.8865 174.4370 27 N 4.6236 9.3389 123.7063 54.3058 38.4585 177.2787 28 K 4.0367 7.9472 121.4567 58.5401 31.8769 178.0051 29 D 5.1074 7.6250 119.9120 54.7660 39.3528 178.0504 30 K 4.2008 7.9088 119.9371 58.0906 32.0378 177.2043 31 E 4.6037 8.7632 115.4879 54.2073 30.2683 175.8393 32 G 4.2506 7.5426 111.8156 45.1047 0.0000 172.3877 33 K 4.0178 8.1511 119.9745 56.3706 32.5718 176.7458 34 V 4.4001 7.5938 121.9739 60.9123 34.2804 174.4868 35 F 4.8614 8.6281 124.7982 55.8732 42.3602 173.6209 36 Y 5.5151 9.0111 121.4641 56.6898 40.7304 174.9110 37 S 5.2305 9.1658 116.2420 57.1674 67.1581 172.6368 38 I 5.4185 8.4724 113.3026 59.4860 40.5512 174.1740 39 T 4.8461 9.2088 113.3589 59.9961 72.9184 171.9334 40 G 4.2689 9.4183 107.8712 43.7796 0.0000 173.3953 41 Q 4.5650 8.0119 117.9820 57.3854 28.7634 177.1204 42 G 4.6694 9.4157 112.0693 44.4552 0.0000 173.2239 43 A 4.9173 8.3980 120.1613 50.6251 21.4297 176.3085 44 D 4.9798 8.4515 119.2781 52.4198 41.3087 177.0287 45 T 4.8098 7.6966 109.3607 58.8272 72.6016 171.4498 46 P 4.5295 0.0000 0.0000 62.7134 32.2694 174.2845 47 P 4.5228 0.0000 0.0000 62.2447 32.4799 176.2301 48 V 4.1035 8.4383 119.0825 62.4263 32.0775 176.4700 49 G 3.9012 8.9455 112.3299 46.0134 0.0000 174.6570 50 V 3.4759 7.6752 121.8114 64.7687 32.3894 175.7855 51 F 5.4616 8.3878 119.2420 55.5071 41.8802 174.9591 52 I 4.8830 8.9075 115.3840 59.2190 41.5303 173.7644 53 I 5.1629 8.2313 122.0444 59.1085 41.2198 174.1830 54 E 4.3999 9.2957 130.9975 55.7267 29.8976 177.7390 55 R 4.7064 9.0189 123.8749 58.3410 29.9537 178.2505 56 E 4.2381 8.3837 117.0557 57.7297 30.3058 176.9982 57 T 4.1737 8.1287 107.1235 61.3792 69.9084 175.8636 58 G 3.6682 8.4297 109.4470 45.4795 0.0000 172.7658 59 W 4.6125 7.9978 121.0976 56.4980 30.1425 175.0474 60 L 4.8895 9.2930 128.9385 54.3396 42.9176 175.6142 61 K 5.3522 9.5043 125.7986 54.6059 36.3164 175.4100 62 V 4.6808 8.7139 123.0473 60.7821 33.3375 176.3827 63 T 4.6722 8.4722 113.1099 61.8020 69.6000 173.8605 64 E 3.6368 7.3185 118.3514 53.8421 32.2506 172.8121 65 P 4.3183 0.0000 0.0000 63.0019 32.1151 176.3539 66 L 4.5564 8.4538 123.1409 53.8488 44.7228 175.2591 67 D 4.5274 8.3279 118.8137 52.9459 43.0349 175.6661 68 R 3.9602 9.4870 128.4720 59.3954 30.3400 178.6465 69 E 4.0774 8.1804 115.7751 58.8600 29.7503 178.4167 70 R 4.0718 7.4183 114.7956 58.1490 30.4462 176.8880 71 I 4.3230 7.7261 118.5481 59.7916 40.3088 175.1000 72 A 4.4731 8.4345 127.0267 53.1987 20.1760 176.2075 73 T 5.1399 7.2610 108.2125 60.9733 70.6778 172.4963 74 Y 4.8449 9.0317 123.6042 56.5151 42.6688 174.5070 75 T 4.7959 8.6879 118.7394 62.0492 70.7926 173.3968 76 L 5.0089 8.4712 126.0191 52.8010 45.8593 175.4630 77 F 5.1751 9.1258 118.8225 55.7467 42.3712 174.7833 78 S 5.1146 8.8759 118.5723 57.5071 65.2419 172.8581 79 H 5.6900 9.7637 118.7228 54.1861 33.0100 172.3746 80 A 5.0617 8.7716 121.8501 50.4158 22.0411 175.4445 81 V 5.0301 8.7432 115.5575 59.4179 36.4349 175.9046 82 S 5.0180 8.8893 118.1314 57.0699 64.3443 175.0688 83 S 4.0032 8.8590 114.8707 61.6058 61.8642 174.5264 84 N 4.5569 8.1082 114.3983 53.3240 38.4185 175.8172 85 G 3.9526 8.2441 107.8719 45.0611 0.0000 173.7479 86 N 4.5971 7.6767 117.2609 51.9660 39.5311 174.5335 87 A 4.5062 8.4931 125.5072 52.5900 18.8951 177.8167 88 V 4.2130 8.3408 115.3163 61.1649 32.8025 175.5354 89 E 4.6769 7.5075 117.7426 54.1520 33.4170 174.6499 90 D 4.6855 8.6161 120.3313 53.3069 41.6685 174.8071 91 P 4.6239 0.0000 0.0000 63.9053 32.0967 174.9725 92 M 4.3989 8.4344 124.2217 53.5889 34.0857 174.3957 93 E 3.8301 8.6296 127.6465 55.8500 30.7295 175.5335 94 I 4.3178 8.3089 127.9477 59.2364 40.4017 174.1710 95 L 4.6880 8.3767 129.1208 54.0215 43.4377 175.4003 96 I 4.5383 8.6414 127.3935 59.9762 39.6544 174.4831 97 T 4.9639 8.3329 124.3118 61.8839 70.6205 173.8598 98 V 4.7128 8.8305 127.6939 62.3191 32.3382 175.2247 99 T 4.9017 8.1740 119.3278 59.9594 72.1535 173.0549 100 D 4.3207 8.7624 123.2450 55.7432 41.4570 177.1298 *101 Q 4.1415 8.5431 120.3013 55.3252 28.8154 173.3819 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 G 8.21 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 -2 P 0.00 4.13 0.00 2.19 2.21 0.00 3.74 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 2.07 2.18 0.00 -1 L 8.54 4.22 0.00 1.78 1.74 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0 G 7.40 3.86 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 0.00 0.00 0.00 1 S 8.97 4.82 0.00 3.78 3.74 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 2 W 8.19 4.88 0.00 3.29 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 3 V 9.18 4.41 2.10 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 0.97 0.00 0.00 1.01 0.00 0.00 4 I 8.19 4.78 1.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.76 0.00 0.00 5 P 0.00 4.60 0.00 2.15 2.02 0.00 3.69 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 1.92 1.90 0.00 6 P 0.00 4.28 0.00 2.17 2.06 0.00 3.68 0.00 0.00 3.62 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 7 I 8.17 4.60 1.93 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 1.34 1.53 0.85 0.00 0.00 8 S 8.65 5.02 0.00 3.82 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 9 C 8.83 4.88 0.00 3.14 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 10 P 0.00 4.89 0.00 2.02 2.00 0.00 3.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 11 E 8.78 4.15 0.00 2.30 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 0.00 2.52 2.32 0.00 12 N 8.61 4.45 0.00 2.95 2.98 0.00 0.00 6.99 7.69 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 13 E 7.58 4.24 0.00 2.36 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 0.00 2.52 2.54 0.00 14 K 8.24 4.51 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 15 G 8.12 3.24 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 0.00 16 P 0.00 4.29 0.00 2.11 2.00 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 17 F 8.29 4.76 0.00 3.00 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 18 P 0.00 4.90 0.00 2.11 2.11 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 19 K 8.85 4.48 0.00 1.52 1.67 0.00 1.35 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.36 7.81 20 N 8.63 4.57 0.00 2.28 2.42 0.00 0.00 7.01 7.85 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 21 L 9.53 4.57 0.00 1.70 1.71 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.55 4.76 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 0.73 0.00 0.00 0.88 0.00 0.00 23 Q 8.03 4.16 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.88 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 24 I 8.32 4.17 1.77 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 1.08 0.75 0.96 0.00 0.00 25 K 8.65 4.70 0.00 1.75 1.60 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.53 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.13 7.81 26 S 9.26 5.11 0.00 3.19 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 27 N 9.34 4.62 0.00 2.70 2.80 0.00 0.00 6.74 6.81 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 28 K 7.95 4.04 0.00 1.60 1.73 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.62 7.81 29 D 7.63 5.11 0.00 2.76 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 30 K 7.91 4.20 0.00 1.82 1.89 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 E 8.76 4.60 0.00 2.02 1.95 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 2.35 2.16 0.00 32 G 7.54 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 0.00 0.00 0.00 0.00 33 K 8.15 4.02 0.00 1.72 1.35 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.29 7.81 34 V 7.59 4.40 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 0.12 0.00 0.00 0.78 0.00 0.00 35 F 8.63 4.86 0.00 2.89 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 36 Y 9.01 5.52 0.00 3.02 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 37 S 9.17 5.23 0.00 3.98 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 38 I 8.47 5.42 1.94 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 1.51 0.84 0.96 0.00 0.00 39 T 9.21 4.85 4.35 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 1.33 0.00 0.00 40 G 9.42 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 0.00 0.00 0.00 0.00 41 Q 8.01 4.56 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 42 G 9.42 4.67 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 43 A 8.40 4.92 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 44 D 8.45 4.98 0.00 2.73 2.84 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 45 T 7.70 4.81 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 1.25 0.00 0.00 46 P 0.00 4.53 0.00 1.99 2.08 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 47 P 0.00 4.52 0.00 2.13 2.24 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 48 V 8.44 4.10 2.10 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 0.77 0.00 0.00 0.94 0.00 0.00 49 G 8.95 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.68 3.48 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 0.14 0.00 0.00 0.81 0.00 0.00 51 F 8.39 5.46 0.00 2.97 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 52 I 8.91 4.88 1.94 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 1.18 1.34 0.94 0.00 0.00 53 I 8.23 5.16 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 1.35 1.10 1.09 0.00 0.00 54 E 9.30 4.40 0.00 2.26 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 2.45 2.38 0.00 55 R 9.02 4.71 0.00 2.26 2.39 0.00 3.25 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 56 E 8.38 4.24 0.00 2.09 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 2.53 2.52 0.00 57 T 8.13 4.17 4.38 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 59 W 8.00 4.61 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 60 L 9.29 4.89 0.00 1.76 1.78 0.99 0.26 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 61 K 9.50 5.35 0.00 1.75 1.77 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.63 7.81 62 V 8.71 4.68 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 1.05 0.00 0.00 0.71 0.00 0.00 63 T 8.47 4.67 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 64 E 7.32 3.64 0.00 1.69 1.58 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 1.90 2.06 0.00 65 P 0.00 4.32 0.00 1.87 2.03 0.00 3.26 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 66 L 8.45 4.56 0.00 1.67 1.70 1.14 0.79 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 67 D 8.33 4.53 0.00 2.67 2.50 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 68 R 9.49 3.96 0.00 1.91 2.05 0.00 3.15 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 69 E 8.18 4.08 0.00 1.98 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 2.31 2.39 0.00 70 R 7.42 4.07 0.00 2.02 1.97 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 71 I 7.73 4.32 1.68 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 1.12 0.53 0.21 0.00 0.00 72 A 8.43 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 73 T 7.26 5.14 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 1.12 0.00 0.00 74 Y 9.03 4.84 0.00 2.80 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 75 T 8.69 4.80 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 1.03 0.00 0.00 76 L 8.47 5.01 0.00 1.37 1.55 0.58 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.13 5.18 0.00 2.96 2.80 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 78 S 8.88 5.11 0.00 3.75 3.73 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 79 H 9.76 5.69 0.00 3.18 3.33 0.00 5.56 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 80 A 8.77 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.74 5.03 2.10 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 0.77 0.00 0.00 1.02 0.00 0.00 82 S 8.89 5.02 0.00 3.99 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 83 S 8.86 4.00 0.00 3.98 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 84 N 8.11 4.56 0.00 2.75 2.82 0.00 0.00 7.12 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 85 G 8.24 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 0.00 0.00 0.00 86 N 7.68 4.60 0.00 2.77 2.73 0.00 0.00 6.79 7.81 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 87 A 8.49 4.51 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 88 V 8.34 4.21 1.95 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 0.72 0.00 0.00 0.76 0.00 0.00 89 E 7.51 4.68 0.00 1.65 1.55 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 1.61 1.47 0.00 90 D 8.62 4.69 0.00 2.83 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 91 P 0.00 4.62 0.00 2.04 2.06 0.00 3.77 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 2.12 2.32 0.00 92 M 8.43 4.40 0.00 0.97 0.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 93 E 8.63 3.83 0.00 1.79 1.65 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 1.96 1.59 0.00 94 I 8.31 4.32 1.59 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 0.86 0.26 0.69 0.00 0.00 95 L 8.38 4.69 0.00 1.54 1.47 0.88 1.00 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 96 I 8.64 4.54 1.74 0.00 0.00 -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 0.95 0.44 0.85 0.00 0.00 97 T 8.33 4.96 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 98 V 8.83 4.71 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 0.93 0.00 0.00 1.27 0.00 0.00 99 T 8.17 4.90 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 1.23 0.00 0.00 100 D 8.76 4.32 0.00 2.70 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 *101 Q 8.54 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.