NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4776 8.3049 120.6088 55.3890 33.4101 175.0707 2 T 3.7933 8.4675 123.0682 62.7254 69.9634 169.7872 3 E 4.8726 9.0702 126.6232 54.6969 32.7878 173.8864 4 Y 4.7956 8.6461 125.2994 56.4122 40.3008 175.1791 5 K 4.7499 8.9514 125.0018 55.5680 33.4392 175.7120 6 L 5.0309 8.8218 126.0946 52.8180 44.5105 175.9403 7 V 4.6178 8.4293 123.0423 61.0021 34.5156 174.1832 8 V 4.8237 8.5168 127.1575 61.4636 32.8682 174.9561 9 V 4.4855 10.1974 121.1271 59.0060 35.6023 174.8990 10 G 3.8860 8.2497 108.9866 43.3958 0.0000 172.6399 11 A 4.3730 7.4870 122.7419 51.1186 18.8507 177.6258 12 G 3.7208 8.5124 109.6765 47.1757 0.0000 174.2442 13 G 3.9968 8.9914 111.8079 45.2535 0.0000 174.5449 14 V 3.7400 7.1448 111.4732 62.2856 31.9870 177.0910 15 G 4.2321 8.4713 109.2942 45.5643 0.0000 175.7312 16 K 3.8718 8.5304 121.3379 59.3528 31.9051 178.4782 17 N 4.2846 8.1250 116.3706 56.5958 38.9521 176.6014 18 A 3.9422 7.9309 121.7285 55.1015 18.5091 179.3785 19 L 3.9611 8.3163 117.8977 58.2274 41.6212 179.9763 20 T 3.6593 7.7235 115.2223 66.7272 68.3479 176.8901 21 I 3.3849 7.6808 121.8588 64.2536 37.0076 178.3219 22 Q 3.9557 8.1549 120.5999 58.8218 28.6130 178.1092 23 L 3.7457 7.3479 120.4657 58.3959 42.2114 178.7184 24 I 3.7411 7.5622 118.7287 63.8096 37.2533 177.7835 25 Q 4.2404 8.2703 117.9675 54.8711 30.6170 174.8353 26 N 4.9497 8.1310 115.5388 52.1831 34.8299 172.3428 27 H 4.5045 7.6369 123.3518 56.5567 30.6553 176.5204 *39 S 4.3757 7.9955 116.9731 58.2954 63.7644 176.6730 40 Y 4.2443 8.8227 122.7302 57.3513 39.0751 175.3762 41 R 5.6893 8.5248 121.1197 53.4752 33.7929 174.3537 42 K 4.5735 8.5898 125.1585 54.3999 35.3286 174.4513 43 Q 4.8275 8.7886 129.1888 55.7249 29.9083 175.0743 44 V 4.5239 8.7693 124.6661 60.5675 35.3712 173.0226 45 V 4.4833 8.3148 122.9390 61.8496 32.6372 175.1025 46 I 4.1639 8.5682 129.3860 60.3851 39.2822 175.5783 47 D 4.5211 9.7874 126.6302 55.3682 38.2234 175.0331 48 G 3.9249 8.3906 106.6477 45.2640 0.0000 173.3839 49 E 4.3406 7.8341 121.6444 54.9707 30.2823 174.8022 50 T 4.6316 8.4397 124.0071 63.4762 69.2045 173.6749 51 C 5.0199 9.2629 120.8501 56.6889 34.4835 172.4206 52 L 5.0064 8.8689 121.2524 53.2994 44.0791 174.9752 53 L 4.7524 8.8596 127.6550 54.0825 43.2236 175.4810 54 D 5.1921 9.1393 125.3332 52.7860 42.5352 174.6887 55 I 4.7573 8.9960 128.2526 59.4761 38.3332 175.6686 56 L 4.3488 8.4174 129.7518 54.9727 42.9667 176.7997 57 D 5.3107 8.1740 127.7779 55.5870 42.1293 176.7751 58 T 4.0318 8.3198 115.4338 62.6388 69.1326 174.5979 59 A 4.6730 7.4747 121.9349 50.7893 22.3271 172.7435 60 G 4.0057 8.9098 116.6586 45.8991 0.0000 173.4137 61 Q 4.3895 8.7080 120.3638 56.4252 31.1507 175.6176 62 E 4.6189 8.2722 112.9020 57.5545 33.5100 180.6295 63 E 3.6912 7.8887 116.1816 57.2602 29.0988 179.0998 *64 Y 4.6787 8.2277 111.2765 58.0843 38.3095 175.3872 65 S 4.6722 7.8463 117.3695 55.9451 65.8936 176.0622 66 A 4.6498 8.6734 130.2722 51.8285 18.6165 177.5722 67 M 4.3795 7.9663 118.7722 53.8857 33.7953 173.0384 68 R 3.7098 9.5900 132.2214 56.7987 28.5803 174.2257 69 D 5.0557 8.9924 126.5117 53.9208 38.9419 173.7018 70 Q 4.2282 7.8998 122.0791 60.9850 28.3188 181.3138 *71 Y 4.3493 7.9402 120.8408 60.7838 37.1883 179.1278 72 M 4.6290 7.8104 117.0126 58.6056 32.9943 177.5613 73 R 4.2554 8.1477 118.2110 59.5024 30.2497 177.7284 74 T 4.2632 7.5598 106.8589 61.7193 69.3575 174.8753 75 G 3.5461 7.9613 112.2051 45.6394 0.0000 173.6264 76 E 4.4710 8.9932 122.0712 56.9687 30.9123 176.6452 77 G 4.2896 7.4305 105.4519 44.6139 0.0000 171.7029 78 F 5.3789 9.1823 121.1506 55.3249 42.6837 174.3113 79 L 4.6027 9.2072 124.9432 54.2466 42.7225 176.1681 80 C 4.8959 9.1576 124.3247 58.7722 28.6592 172.9363 81 V 4.9359 8.7029 125.4195 61.0446 33.6851 174.5800 82 F 5.1348 9.0271 121.3829 55.2640 42.3801 172.7607 83 A 5.1839 8.9074 120.3765 49.9650 21.1584 177.8770 84 I 4.1018 8.6428 115.3275 62.5469 38.0185 176.9635 85 N 5.3977 8.0046 117.2171 51.8118 37.3264 175.0482 86 N 4.9257 8.2570 118.8172 51.3711 39.8905 174.4359 87 T 3.9821 8.4618 120.9460 66.3740 68.8382 175.5403 88 K 4.1863 8.1874 120.9288 59.5835 32.0494 178.7215 89 S 4.2855 9.0000 113.9800 61.3792 63.1869 176.1276 90 F 4.0389 8.0157 124.0892 61.2147 38.9479 177.1241 91 E 3.8194 8.0525 116.7029 59.1655 29.5828 178.6200 92 D 4.5462 8.2586 118.4913 56.2842 40.9491 178.3684 93 I 3.8981 7.4268 120.7494 64.9722 37.1186 177.4588 94 H 4.2791 8.1149 119.4987 58.7290 29.6536 177.0337 95 Q 3.8479 7.9202 119.2527 59.1815 28.3896 178.4910 96 Y 3.9638 7.7886 117.0687 61.0755 37.9348 178.5693 97 R 3.7018 8.0993 119.5873 59.3429 30.1355 178.3288 98 E 3.8115 8.0473 118.4395 59.2168 29.3493 179.1555 99 Q 3.8257 7.9055 119.4673 59.2489 29.1194 178.1227 100 I 3.3684 7.4932 120.7072 64.4400 37.1496 178.5230 101 K 4.0623 8.1322 120.7413 58.7725 31.9311 179.4793 102 R 3.8127 7.9656 118.9224 59.3585 29.8401 178.6986 103 V 3.5820 7.8244 117.1212 65.8697 31.6905 177.4456 104 K 4.2429 8.1795 115.0502 55.8787 32.1271 176.2436 105 D 4.4101 7.6755 117.1881 54.7148 40.0195 172.6508 106 S 4.6933 7.8964 111.0797 56.8533 65.7197 174.5309 107 D 4.5743 8.6714 121.9619 53.6131 40.5815 177.3187 108 D 4.8114 7.6751 117.3714 51.5945 38.6856 174.5536 109 V 4.2444 7.7039 125.3372 60.3952 33.7395 173.3828 110 P 4.5187 0.0000 0.0000 63.5166 31.9884 175.0273 111 M 5.2525 8.4852 120.5969 54.2217 34.1664 174.0772 112 V 4.5260 8.5587 119.8908 61.0183 35.1868 174.0172 113 L 4.9236 8.9672 129.8686 54.4949 43.4442 175.2040 114 V 4.5799 9.4349 127.1624 61.1255 34.1644 174.5413 115 G 3.3660 8.5158 115.9799 43.7829 0.0000 172.5925 116 N 5.0505 8.7254 126.6072 51.3257 41.5119 174.4718 117 K 3.9242 8.7134 116.5180 57.2571 29.1468 177.3817 118 C 4.3791 8.0616 112.7826 59.5062 29.3934 173.8015 119 D 4.5273 7.8556 120.0907 54.4951 39.8539 176.0685 120 L 4.3162 7.6201 120.3139 53.9878 42.5316 176.8159 121 A 4.1155 8.4560 124.1840 54.1239 19.8750 178.1501 122 A 4.3222 7.6272 121.3609 51.1436 17.4672 177.2738 123 R 4.5668 7.6265 122.1630 55.9154 31.0350 175.8581 124 T 4.3783 9.0275 114.8898 61.0568 70.2936 174.0388 125 V 4.1389 7.4969 121.9513 60.7195 32.8859 174.8090 126 E 4.1388 9.1053 128.2310 55.9089 30.2250 178.0632 127 S 4.1780 8.8627 116.6287 61.8070 62.2207 176.6365 128 R 3.8312 7.9528 120.6284 59.4737 29.7932 178.1773 129 Q 3.8890 7.7838 116.9873 59.0949 28.7352 178.9577 130 A 3.9787 7.4834 121.0066 55.0006 18.2924 179.5067 131 Q 3.9167 7.9714 116.7931 59.1838 28.8118 178.7419 132 D 4.2905 8.2425 120.1039 57.1598 40.7376 178.5920 133 L 3.5527 7.9065 120.4624 58.0315 42.1227 178.8242 134 A 4.0457 8.2580 121.0576 55.2487 18.4502 179.5294 135 R 3.8912 8.4522 117.8510 59.5767 29.9151 178.9213 136 S 4.1602 7.8190 113.0608 61.0650 63.0092 175.2845 137 Y 4.7799 7.6967 119.2102 57.4928 37.7722 176.1708 138 G 3.8121 7.9476 107.5797 46.4986 0.0000 173.1909 139 I 4.8279 7.7026 111.2660 57.7714 40.9702 173.3885 140 P 4.6101 0.0000 0.0000 62.7903 33.0442 174.5613 141 Y 5.4162 8.6301 123.0315 56.0613 41.6922 174.3053 142 I 4.2949 8.3003 126.5557 59.4091 41.3945 174.0711 143 E 4.7457 8.3240 125.9915 55.3614 30.4780 175.3837 144 T 4.8460 8.5659 113.0912 60.0846 73.3913 173.0302 145 S 4.6295 8.9267 116.1185 56.8458 64.4323 174.4352 146 A 4.1365 8.5333 131.1441 54.7153 18.5809 178.7824 147 K 4.0721 8.1100 116.6351 59.4841 32.4062 177.8627 148 T 4.1311 7.5566 105.5202 61.4870 69.6079 175.5895 149 R 3.9880 8.5132 122.6306 55.8144 30.1611 175.2401 150 Q 4.0045 7.5929 118.5444 58.4434 29.3321 177.6057 151 G 3.8946 8.8954 112.0048 46.2819 0.0000 175.4060 152 V 3.5238 7.5331 119.3062 66.1220 31.5590 177.5478 153 E 3.6992 8.0179 117.6690 59.5724 29.1880 178.9638 154 D 4.3395 7.9620 117.9606 57.1971 40.8371 178.5551 155 A 3.8500 8.1027 121.2753 55.2231 18.4367 179.7368 156 F 4.0384 7.9602 115.4406 60.9586 39.0584 177.5894 157 Y 4.2161 8.7362 116.7911 61.5643 37.7662 178.9028 158 T 3.9152 8.3688 116.9342 66.4666 68.5247 176.4371 159 L 3.9478 7.8686 122.3430 58.1200 42.2090 179.1424 160 V 3.3085 7.7957 118.1695 66.0679 31.1639 178.2415 161 R 3.9882 7.7398 116.3994 58.7680 29.8790 178.4762 162 E 4.1862 8.0092 118.7248 59.2267 29.1903 179.1311 163 I 3.8420 7.8419 119.9634 64.4093 36.9174 178.6227 164 R 4.1085 7.7333 117.8621 58.9243 29.9635 178.5920 165 Q 4.1724 7.6943 117.0685 57.9172 28.8309 175.5002 166 H 4.5213 7.7361 123.5077 56.0989 29.9249 174.1617 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 1 M 8.30 4.48 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 T 8.47 3.79 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 0.73 0.00 0.00 3 E 9.07 4.87 0.00 1.85 1.69 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 2.13 2.42 0.00 4 Y 8.65 4.80 0.00 2.95 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 5 K 8.95 4.75 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 6 L 8.82 5.03 0.00 1.68 1.61 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.43 4.62 1.80 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 1.03 0.00 0.00 0.65 0.00 0.00 8 V 8.52 4.82 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 0.86 0.00 0.00 1.05 0.00 0.00 9 V 10.20 4.49 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 0.87 0.00 0.00 0.99 0.00 0.00 10 G 8.25 3.89 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 0.00 0.00 0.00 11 A 7.49 4.37 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 12 G 8.51 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 13 G 8.99 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 14 V 7.14 3.74 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 0.78 0.00 0.00 1.05 0.00 0.00 15 G 8.47 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 0.00 0.00 0.00 16 K 8.53 3.87 0.00 1.82 1.90 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 N 8.13 4.28 0.00 2.78 2.82 0.00 0.00 7.04 7.94 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 18 A 7.93 3.94 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 19 L 8.32 3.96 0.00 1.95 1.89 0.83 0.61 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 20 T 7.72 3.66 4.11 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 0.63 0.00 0.00 21 I 7.68 3.38 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.75 0.00 0.00 22 Q 8.15 3.96 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 23 L 7.35 3.75 0.00 1.28 1.34 0.73 -0.14 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 24 I 7.56 3.74 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.95 0.00 0.00 25 Q 8.27 4.24 0.00 1.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 N 8.13 4.95 0.00 2.88 2.88 0.00 0.00 7.16 8.16 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 27 H 7.64 4.50 0.00 3.18 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 S 8.00 4.38 0.00 3.44 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 40 Y 8.82 4.24 0.00 2.86 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 41 R 8.52 5.69 0.00 1.64 1.81 0.00 3.18 0.00 0.00 3.80 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 42 K 8.59 4.57 0.00 1.77 1.58 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 43 Q 8.79 4.83 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 V 8.77 4.52 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 0.53 0.00 0.00 0.97 0.00 0.00 45 V 8.31 4.48 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 0.79 0.00 0.00 0.93 0.00 0.00 46 I 8.57 4.16 1.61 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.49 0.56 0.00 0.00 47 D 9.79 4.52 0.00 2.75 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 48 G 8.39 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 49 E 7.83 4.34 0.00 2.03 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 2.29 2.29 0.00 50 T 8.44 4.63 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 1.21 0.00 0.00 51 C 9.26 5.02 0.00 3.23 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 52 L 8.87 5.01 0.00 1.75 1.55 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.86 4.75 0.00 1.64 1.61 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.14 5.19 0.00 2.79 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 55 I 9.00 4.76 1.99 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 1.04 0.00 0.00 56 L 8.42 4.35 0.00 1.70 1.64 0.95 1.27 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 57 D 8.17 5.31 0.00 2.94 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 58 T 8.32 4.03 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 1.21 0.00 0.00 59 A 7.47 4.67 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 60 G 8.91 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 0.00 0.00 0.00 61 Q 8.71 4.39 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 62 E 8.27 4.62 0.00 1.94 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 2.12 1.83 0.00 63 E 7.89 3.69 0.00 2.12 1.12 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 2.13 1.85 0.00 *64 Y 8.23 4.68 0.00 2.26 2.08 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 65 S 7.85 4.67 0.00 3.57 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.65 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.10 1.93 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 1.58 0.76 0.90 0.00 0.00 85 N 8.00 5.40 0.00 2.91 2.94 0.00 0.00 6.08 8.04 0.00 0.00 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 8.26 4.93 0.00 2.77 2.92 0.00 0.00 7.21 6.74 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 87 T 8.46 3.98 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 1.31 0.00 0.00 88 K 8.19 4.19 0.00 1.87 1.98 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.54 7.81 89 S 9.00 4.29 0.00 4.17 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 90 F 8.02 4.04 0.00 2.75 3.22 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 91 E 8.05 3.82 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 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5.42 0.00 3.09 2.88 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 0.00 142 I 8.30 4.29 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.75 0.00 0.00 143 E 8.32 4.75 0.00 1.68 1.74 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 2.12 2.04 0.00 144 T 8.57 4.85 4.15 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 0.00 0.00 1.08 0.00 0.00 145 S 8.93 4.63 0.00 3.81 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 0.00 146 A 8.53 4.14 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 0.00 147 K 8.11 4.07 0.00 1.71 1.82 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 148 T 7.56 4.13 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 0.00 149 R 8.51 3.99 0.00 1.98 2.11 0.00 3.14 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 150 Q 7.59 4.00 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.58 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 151 G 8.90 3.89 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 0.00 0.00 0.00 152 V 7.53 3.52 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 1.16 0.00 0.00 0.95 0.00 0.00 153 E 8.02 3.70 0.00 1.76 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 2.07 2.21 0.00 154 D 7.96 4.34 0.00 2.84 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 0.00 155 A 8.10 3.85 1.09 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 0.00 0.00 0.00 0.00 0.00 156 F 7.96 4.04 0.00 3.15 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 0.00 157 Y 8.74 4.22 0.00 3.01 2.98 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 0.00 158 T 8.37 3.92 4.46 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 1.22 0.00 0.00 159 L 7.87 3.95 0.00 1.81 1.88 0.94 0.92 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 0.00 160 V 7.80 3.31 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 0.03 0.00 0.00 0.70 0.00 0.00 161 R 7.74 3.99 0.00 1.97 1.97 0.00 3.23 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 162 E 8.01 4.19 0.00 2.25 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 2.54 2.52 0.00 163 I 7.84 3.84 2.12 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 1.76 1.04 1.19 0.00 0.00 164 R 7.73 4.11 0.00 2.01 2.03 0.00 3.09 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 165 Q 7.69 4.17 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 166 H 7.74 4.52 0.00 3.11 3.36 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.