NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 4.8119 8.3249 115.8495 56.3761 38.8862 175.1420 12 R 4.0694 7.0490 120.0064 56.0634 30.4904 176.3773 13 K 3.9915 7.6872 117.3671 57.7780 33.3995 176.8262 14 V 4.1510 6.9907 119.8393 60.7377 32.6692 177.2374 15 D 4.6550 8.4184 124.8311 52.4157 38.6740 176.2781 16 V 3.8103 8.0349 123.2567 66.0014 31.7398 176.5545 17 D 4.4213 8.2612 117.9436 57.2527 40.4402 177.9744 18 E 4.0194 8.2746 117.8781 58.0080 29.3323 177.0249 19 Y 4.6231 7.5467 115.2247 57.3153 39.2678 174.9513 20 D 4.4853 8.1824 122.0248 54.1793 41.9967 176.3684 21 E 4.5001 8.5908 129.9498 55.6536 29.2491 176.4891 22 N 4.9030 8.0168 112.8808 54.0528 43.1601 176.3877 23 K 4.3659 7.8430 120.6873 54.1876 32.6561 180.4250 24 F 4.9490 8.4848 116.7208 58.0222 41.7703 174.8556 25 V 4.1506 6.6106 125.1985 61.0772 34.2043 174.5345 26 D 4.3877 8.3034 126.7117 53.4549 41.5600 176.7103 27 E 4.0690 8.4530 121.7825 57.0857 27.8274 175.8122 28 D 4.6074 8.0625 122.5324 52.5189 42.6775 176.3694 *35 A 4.0424 8.2240 124.5032 52.7783 19.7007 176.0318 36 G 4.2638 8.5385 107.6042 43.3987 0.0000 175.0924 37 P 4.6555 0.0000 0.0000 61.3131 31.1038 176.8885 38 D 4.5153 8.3914 120.5319 52.9900 43.3677 176.0039 39 E 3.9433 9.0348 126.3189 59.7892 29.2822 179.3470 40 G 3.7865 8.0820 104.5188 48.2439 0.0000 174.8092 41 E 4.0062 8.4664 121.1217 58.8024 29.7483 178.9205 42 V 3.5877 7.8470 118.3479 66.2457 31.6818 177.8493 43 D 4.3589 8.9040 119.2380 57.1433 40.3132 178.4321 44 S 4.0724 7.4516 113.0020 61.8702 62.4704 175.7711 45 C 4.2862 7.8050 117.8646 62.6543 28.0778 175.7808 46 L 4.1060 8.0478 120.5790 57.7194 42.1572 178.7911 47 R 4.6504 7.8022 116.9810 54.5286 27.7771 177.0925 48 Q 4.4149 7.7733 113.8444 56.0022 33.8363 177.0341 49 G 3.9837 8.1239 106.9210 46.5268 0.0000 175.4669 50 N 4.7148 7.4956 118.7778 52.7824 34.5645 175.1126 51 M 3.9805 7.6588 124.9541 58.8307 32.5373 178.2620 52 T 4.1458 8.1801 114.9783 66.8525 68.5694 175.9534 53 A 4.2719 7.8971 121.2042 54.3253 18.7404 179.4834 54 A 3.9532 8.3535 120.0988 55.2538 18.4053 179.2122 55 L 3.8943 8.1737 118.3324 58.7351 41.9693 178.9427 56 Q 4.0364 7.7209 115.4593 59.0190 28.4957 178.7562 57 A 4.1296 8.0720 121.4274 55.2171 18.2252 179.6110 58 A 3.9793 7.9186 118.1242 54.9460 18.5880 179.1670 59 L 4.2382 8.1016 115.1707 54.9392 42.1510 177.1009 60 K 4.2372 7.4450 121.0605 56.6055 33.7353 175.8523 61 N 4.2124 8.8005 120.8647 53.5668 35.8141 172.8232 62 P 4.6892 0.0000 0.0000 62.3755 32.4007 177.5004 63 P 4.7288 0.0000 0.0000 61.7958 30.3599 178.4279 64 I 3.8661 8.7527 122.3765 63.7881 37.1688 176.8415 65 N 4.9123 7.9327 114.6469 52.9205 40.4722 174.7667 66 T 4.1812 7.4554 109.6041 60.9392 69.6783 175.0685 67 K 3.9547 8.7137 124.9550 59.2889 32.4471 177.2309 68 S 4.0432 8.1792 113.9987 58.8946 63.0663 174.8053 69 Q 4.1057 8.7800 128.7572 58.2460 28.3821 178.7011 70 A 3.9719 7.8742 122.2933 55.2084 18.7194 179.9290 71 V 3.5991 7.8240 117.5226 64.5491 31.3223 178.8055 72 K 3.9803 7.8608 119.1804 59.7076 31.9135 179.0950 73 D 4.3851 7.9971 118.6139 57.1149 40.2474 178.6287 74 R 3.8347 8.3691 119.6302 59.5521 30.0074 178.4468 75 A 4.0707 7.9089 120.0862 54.9673 18.3795 179.8785 76 G 3.4647 8.2023 104.2800 47.7244 0.0000 176.3067 77 S 4.0369 8.3025 117.7394 61.5986 62.9876 176.5972 78 I 3.5289 7.2484 121.9787 64.3082 36.8201 178.7340 79 V 3.2565 7.4315 118.8365 65.8335 31.4285 177.7113 80 L 3.6978 7.7952 120.3269 57.9356 41.8083 178.7110 81 K 3.8211 8.5686 120.1882 59.5284 31.9546 178.9027 82 V 3.6259 7.4974 117.7875 66.1394 31.2967 177.9927 83 L 3.4005 7.3876 117.1671 57.3647 41.2376 179.5292 84 I 4.0101 7.3003 118.9787 64.5773 37.3389 178.1242 85 S 4.2640 7.9698 114.4181 60.6505 63.0239 175.5259 86 F 4.0989 7.7682 119.6277 57.4694 39.4336 174.5949 87 K 4.4647 8.6889 123.2233 55.7985 33.7057 178.2012 88 A 4.1015 8.1168 127.1939 55.4473 19.1950 178.6637 89 N 4.6520 8.0365 110.0114 54.5463 39.1563 175.5768 90 D 4.7881 8.9869 119.5426 54.5004 41.6030 178.4915 91 I 3.2125 7.2510 120.6762 63.9197 37.0325 177.4073 92 E 3.7713 7.9942 119.4425 59.4719 28.9501 179.0832 93 K 3.9087 7.9514 118.4698 59.5203 32.3178 178.1633 94 A 4.1846 7.5080 116.5001 53.5860 18.7862 178.7112 95 V 3.9669 7.6848 117.0000 64.7632 31.7668 176.9402 96 Q 4.3494 7.9728 115.2330 56.0458 28.7708 176.2421 97 S 4.6913 7.3255 114.2726 57.7944 63.5353 173.7419 98 L 4.7946 7.1719 120.3460 52.9966 43.3574 176.0247 99 D 4.6609 8.4416 121.0388 52.6751 40.6934 177.5705 100 K 4.2171 8.6912 120.5515 60.1770 32.1444 178.8163 101 N 4.5641 8.2481 116.0683 55.5695 38.4847 177.7084 102 G 3.5534 9.3064 108.2191 47.8261 0.0000 175.9237 103 V 3.7125 7.8839 120.8104 65.7243 31.4286 177.6552 104 D 4.3023 7.9278 118.0916 57.4424 40.6944 178.6222 105 L 3.8620 7.7765 120.1506 57.6265 41.8906 178.7998 106 L 3.9973 8.2793 121.0541 58.4540 42.2013 178.2841 107 M 4.0526 8.3692 118.4974 59.0072 31.9274 178.3725 108 K 3.9524 7.9518 118.1309 59.6510 31.9264 178.9914 109 Y 4.3701 7.3774 115.9350 60.8890 38.0553 177.9935 110 I 3.5855 8.0772 121.2665 64.6146 37.3772 178.1238 111 Y 3.7614 7.9922 117.3817 60.7755 37.5045 178.5585 112 K 4.2852 8.0673 120.5292 59.0025 32.2166 179.3035 113 G 3.4937 7.8380 106.4344 47.8328 0.0000 175.6121 114 F 4.7476 7.2286 118.0674 60.2937 38.9899 176.9473 115 E 4.4319 7.7871 116.0369 56.9288 30.8312 177.1998 116 S 4.6852 8.2937 114.7422 55.6747 63.4547 171.7825 117 P 4.5964 0.0000 0.0000 62.1871 32.4807 176.6978 118 S 4.3468 8.6286 110.2609 58.7147 65.9067 175.1453 119 D 4.3883 8.5746 130.4593 56.2194 38.4771 174.8468 120 N 4.8264 8.6076 125.0146 54.3096 39.1206 176.5872 121 S 4.1554 8.0997 115.7363 61.9595 63.0937 176.7475 122 S 4.3312 8.2712 118.1289 60.0942 62.6272 175.7857 123 A 4.3832 8.1228 123.6920 53.8358 19.2370 179.6240 124 V 3.8912 7.6634 117.4256 64.8917 31.8522 178.5117 125 L 4.1370 8.5537 119.9225 57.4843 41.2388 179.4033 126 L 4.4874 7.7901 117.7443 57.5817 41.5034 179.4206 127 Q 4.0554 8.3397 118.4779 58.4585 28.6059 178.4905 128 W 3.8215 8.2742 119.5045 60.1037 29.2445 177.5605 129 H 3.9428 8.8664 118.5962 59.6626 28.9999 176.6797 130 E 4.0097 8.0885 120.8365 59.0341 29.4550 179.0501 131 K 3.8893 8.0293 118.3297 59.5307 32.2247 179.1959 132 A 4.0381 8.7653 121.5819 55.1987 18.2349 179.4532 133 L 3.9292 8.1945 118.7203 58.1544 41.9154 179.1050 134 A 4.0158 7.6751 119.9602 55.0283 18.3934 179.1922 135 A 4.1499 8.0490 118.7882 55.2221 18.7156 179.7742 136 G 3.7237 8.8268 103.3830 44.4596 0.0000 174.7390 137 G 4.0688 7.9637 108.3935 45.0948 0.0000 174.8859 138 V 3.8156 8.1556 117.9625 64.2199 31.1573 178.2154 139 G 3.7402 8.0512 105.9349 46.7522 0.0000 175.4290 140 S 4.2688 7.9394 115.8781 60.8593 63.4597 176.3321 141 I 3.8185 7.4799 123.3734 64.0787 37.1210 177.7727 142 V 3.5426 7.7026 119.0680 66.3928 31.1722 178.1152 143 R 4.0573 7.9309 117.7666 57.6163 29.5988 178.9868 144 V 3.5042 7.8092 118.5173 65.4808 31.6359 177.0755 145 L 4.0504 7.5983 117.5601 57.8643 41.3542 178.2592 146 T 4.0411 8.1395 107.5158 62.6698 69.3335 174.5156 147 A 4.2146 7.2543 126.0749 52.6321 18.7877 177.3368 148 R 4.2600 8.5970 121.1928 56.8281 31.4085 176.7455 149 K 4.3918 7.8438 117.2027 54.9470 32.7827 175.1875 150 T 4.6127 7.9400 117.1404 60.0169 70.9219 173.8135 151 V 3.7796 8.0700 115.4116 61.6101 31.5301 176.5076 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 11 F 8.32 4.81 0.00 3.13 3.25 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 12 R 7.05 4.07 0.00 1.62 1.80 0.00 2.64 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 13 K 7.69 3.99 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.36 7.81 14 V 6.99 4.15 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 0.77 0.00 0.00 1.03 0.00 0.00 15 D 8.42 4.66 0.00 2.83 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 16 V 8.03 3.81 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 1.17 0.00 0.00 1.01 0.00 0.00 17 D 8.26 4.42 0.00 2.95 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 18 E 8.27 4.02 0.00 1.86 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 2.47 2.33 0.00 19 Y 7.55 4.62 0.00 3.02 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 20 D 8.18 4.49 0.00 2.76 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 21 E 8.59 4.50 0.00 1.99 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 2.29 2.28 0.00 22 N 8.02 4.90 0.00 3.08 2.78 0.00 0.00 6.71 7.49 0.00 0.00 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 K 7.84 4.37 0.00 1.81 1.65 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 24 F 8.48 4.95 0.00 2.91 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 25 V 6.61 4.15 1.82 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 0.76 0.00 0.00 0.81 0.00 0.00 26 D 8.30 4.39 0.00 2.69 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 27 E 8.45 4.07 0.00 1.91 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 2.29 2.35 0.00 28 D 8.06 4.61 0.00 2.62 2.56 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 *35 A 8.22 4.04 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 36 G 8.54 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 0.00 0.00 0.00 37 P 0.00 4.66 0.00 2.01 2.19 0.00 3.66 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.26 0.00 38 D 8.39 4.52 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 3.94 0.00 2.00 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 2.39 2.34 0.00 40 G 8.08 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 0.00 0.00 0.00 41 E 8.47 4.01 0.00 2.14 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 0.00 2.30 2.31 0.00 42 V 7.85 3.59 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 0.96 0.00 0.00 0.97 0.00 0.00 43 D 8.90 4.36 0.00 2.71 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 44 S 7.45 4.07 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.81 4.29 0.00 3.04 3.21 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 46 L 8.05 4.11 0.00 1.86 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.80 4.65 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 48 Q 7.77 4.41 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 49 G 8.12 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 50 N 7.50 4.71 0.00 2.71 2.80 0.00 0.00 6.84 8.99 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 51 M 7.66 3.98 0.00 0.53 1.62 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.52 0.00 52 T 8.18 4.15 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 1.31 0.00 0.00 53 A 7.90 4.27 1.35 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 0.00 0.00 0.00 54 A 8.35 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.17 3.89 0.00 1.97 2.00 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.72 4.04 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 57 A 8.07 4.13 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.92 3.98 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 59 L 8.10 4.24 0.00 1.78 1.79 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.44 4.24 0.00 1.96 1.83 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 61 N 8.80 4.21 0.00 2.94 2.84 0.00 0.00 6.83 8.03 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 62 P 0.00 4.69 0.00 2.20 2.29 0.00 3.73 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 63 P 0.00 4.73 0.00 2.23 2.12 0.00 3.73 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 2.28 2.24 0.00 64 I 8.75 3.87 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.39 0.89 0.00 0.00 65 N 7.93 4.91 0.00 2.67 2.81 0.00 0.00 6.96 7.54 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 66 T 7.46 4.18 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 1.22 0.00 0.00 67 K 8.71 3.95 0.00 1.77 1.91 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.37 7.81 68 S 8.18 4.04 0.00 3.88 3.81 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 69 Q 8.78 4.11 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 70 A 7.87 3.97 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 71 V 7.82 3.60 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 0.90 0.00 0.00 0.95 0.00 0.00 72 K 7.86 3.98 0.00 1.99 1.93 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.67 7.81 73 D 8.00 4.39 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 74 R 8.37 3.83 0.00 1.95 2.06 0.00 3.08 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 1.61 1.65 0.00 75 A 7.91 4.07 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 76 G 8.20 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.04 0.00 3.95 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 78 I 7.25 3.53 1.88 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 1.46 1.08 0.88 0.00 0.00 79 V 7.43 3.26 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 0.52 0.00 0.00 -0.00 0.00 0.00 80 L 7.80 3.70 0.00 1.79 1.73 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.57 3.82 0.00 1.86 1.92 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 82 V 7.50 3.63 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 1.15 0.00 0.00 0.94 0.00 0.00 83 L 7.39 3.40 0.00 1.33 0.61 0.38 -1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.30 4.01 2.11 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 1.52 0.37 0.95 0.00 0.00 85 S 7.97 4.26 0.00 4.07 3.97 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 86 F 7.77 4.10 0.00 3.60 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 87 K 8.69 4.46 0.00 1.85 1.73 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 88 A 8.12 4.10 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 89 N 8.04 4.65 0.00 2.72 2.86 0.00 0.00 6.83 8.06 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 90 D 8.99 4.79 0.00 2.85 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 91 I 7.25 3.21 1.40 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.79 -0.64 0.00 0.00 92 E 7.99 3.77 0.00 1.93 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 2.44 2.35 0.00 93 K 7.95 3.91 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 94 A 7.51 4.18 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 0.00 0.00 0.00 0.00 0.00 95 V 7.68 3.97 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 1.04 0.00 0.00 0.74 0.00 0.00 96 Q 7.97 4.35 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 97 S 7.33 4.69 0.00 4.10 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 0.00 98 L 7.17 4.79 0.00 1.80 1.63 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.44 4.66 0.00 2.83 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 0.00 100 K 8.69 4.22 0.00 1.79 1.94 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.53 7.81 101 N 8.25 4.56 0.00 2.92 2.86 0.00 0.00 7.06 7.66 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 0.00 102 G 9.31 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 0.00 0.00 0.00 0.00 103 V 7.88 3.71 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 1.21 0.00 0.00 0.96 0.00 0.00 104 D 7.93 4.30 0.00 2.87 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 0.00 105 L 7.78 3.86 0.00 1.75 1.81 0.55 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.28 4.00 0.00 1.89 1.83 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.37 4.05 0.00 2.25 2.21 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 2.83 2.73 0.00 108 K 7.95 3.95 0.00 1.75 1.58 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.49 7.81 109 Y 7.38 4.37 0.00 3.08 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 0.00 110 I 8.08 3.59 1.92 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 1.34 0.81 0.28 0.00 0.00 111 Y 7.99 3.76 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.07 4.29 0.00 2.00 2.01 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 113 G 7.84 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.23 4.75 0.00 3.29 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 0.00 115 E 7.79 4.43 0.00 2.19 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 2.41 2.46 0.00 116 S 8.29 4.69 0.00 3.76 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 0.00 117 P 0.00 4.60 0.00 2.05 2.00 0.00 3.79 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 118 S 8.63 4.35 0.00 3.93 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 0.00 119 D 8.57 4.39 0.00 2.89 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.61 4.83 0.00 2.78 2.86 0.00 0.00 6.59 7.57 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 0.00 121 S 8.10 4.16 0.00 4.09 4.21 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 0.00 122 S 8.27 4.33 0.00 3.92 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 0.00 123 A 8.12 4.38 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 0.00 124 V 7.66 3.89 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 1.04 0.00 0.00 1.21 0.00 0.00 125 L 8.55 4.14 0.00 1.90 1.65 0.84 0.20 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 0.00 126 L 7.79 4.49 0.00 2.06 1.78 0.90 0.64 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 0.00 127 Q 8.34 4.06 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 128 W 8.27 3.82 0.00 3.52 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 0.00 129 H 8.87 3.94 0.00 3.36 3.62 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.09 4.01 0.00 2.07 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 2.30 2.37 0.00 131 K 8.03 3.89 0.00 1.86 1.70 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.36 7.81 132 A 8.77 4.04 1.42 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 0.00 0.00 133 L 8.19 3.93 0.00 1.82 1.93 0.93 0.90 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 0.00 134 A 7.68 4.02 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 0.00 135 A 8.05 4.15 1.35 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 0.00 0.00 0.00 136 G 8.83 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 0.00 137 G 7.96 4.07 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 0.00 0.00 0.00 138 V 8.16 3.82 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 0.85 0.00 0.00 0.96 0.00 0.00 139 G 8.05 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 0.00 0.00 0.00 140 S 7.94 4.27 0.00 4.04 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 0.00 141 I 7.48 3.82 2.08 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 1.70 0.62 0.87 0.00 0.00 142 V 7.70 3.54 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 1.08 0.00 0.00 0.92 0.00 0.00 143 R 7.93 4.06 0.00 1.96 1.91 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 144 V 7.81 3.50 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 0.52 0.00 0.00 0.84 0.00 0.00 145 L 7.60 4.05 0.00 1.73 1.65 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.14 4.04 4.21 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 1.19 0.00 0.00 147 A 7.25 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.60 4.26 0.00 1.83 2.03 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 149 K 7.84 4.39 0.00 1.69 1.90 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.45 7.81 150 T 7.94 4.61 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 1.18 0.00 0.00 151 V 8.07 3.78 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 0.14 0.00 0.00 0.73 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.