NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5179 8.1801 120.5942 54.2777 43.2086 176.3042 6 A 4.1055 8.7496 124.7938 52.2602 19.6217 174.3953 7 D 5.6357 8.4925 118.8598 52.7323 44.3551 174.9981 8 V 4.5088 8.3554 120.1289 60.1263 34.9928 174.2149 9 C 4.7245 8.8897 122.8883 56.6271 41.2015 174.3772 10 R 3.7478 8.6745 125.2738 59.7162 29.7048 178.8254 11 T 3.9136 7.6281 105.8668 63.7679 68.7037 174.8278 12 K 4.3138 7.5409 120.1364 56.0587 32.3681 176.4547 13 L 4.0158 7.2836 119.7008 52.9042 42.6267 175.5341 14 P 4.3117 0.0000 0.0000 62.5198 33.1242 177.8148 15 S 4.0957 8.6303 115.9839 62.0025 62.6632 177.0178 16 Q 4.1376 8.0075 120.7627 58.5271 28.5288 178.1188 17 A 3.9988 7.8066 121.4267 55.2564 18.3791 179.4354 18 Q 3.8719 7.8858 116.4934 59.1673 28.7353 178.7684 19 D 4.3672 8.2258 119.8489 57.8015 40.8997 179.0939 20 T 3.9277 7.9198 116.0029 66.6614 68.3878 176.5951 21 L 4.0245 8.0913 120.6470 57.8144 41.7324 179.4849 22 A 3.9591 8.1538 120.6317 55.0222 18.1947 179.6558 23 L 3.8806 7.9942 117.5074 58.0436 41.7364 179.8328 24 I 3.9130 8.3065 121.1333 63.8305 36.7747 178.1118 25 A 4.0386 8.0286 121.0302 54.4608 18.1553 178.8177 26 K 4.2900 7.5194 113.3794 55.9170 33.4427 175.8853 27 N 4.1537 8.6238 115.4374 54.8078 36.4963 175.4092 28 G 2.8811 7.7053 107.3898 43.7487 0.0000 171.9854 29 P 4.0673 0.0000 0.0000 62.7253 32.1858 175.2110 30 Y 4.7092 8.0789 118.3618 56.3337 38.9457 175.0936 31 P 4.1804 0.0000 0.0000 64.4466 32.1948 175.9419 32 Y 4.8755 7.9401 116.7424 55.3534 40.0964 174.5192 33 N 4.3162 8.9160 121.4403 55.8176 39.4625 175.0291 34 R 4.0501 8.9917 122.2186 56.2220 27.9811 175.6430 35 D 4.5222 8.0219 119.1160 55.9409 41.0174 176.9983 36 G 3.4904 7.5691 113.1568 44.7319 0.0000 173.9995 37 V 3.9156 7.1273 112.8271 60.5725 33.0756 175.9024 38 V 3.8944 8.2967 122.9345 63.5220 32.0071 174.9993 39 F 4.5387 8.8352 131.2790 57.0246 39.1164 175.5401 40 E 3.8073 8.1943 126.8211 57.2837 29.7782 177.4435 41 N 3.7594 6.4607 115.2291 54.2323 37.1862 176.0709 42 R 3.8379 6.8958 114.8087 58.5496 30.1431 177.7314 43 E 4.1526 8.0027 114.5752 56.1795 29.7365 176.3034 44 S 3.8045 7.8043 114.6376 59.6377 60.9971 173.5001 45 R 4.2597 8.1341 117.9790 57.1035 30.8110 176.9490 46 L 4.3860 7.2556 116.5573 51.4703 43.8983 174.4013 47 P 4.2973 0.0000 0.0000 62.8452 31.7459 176.6815 48 K 4.1500 8.4743 121.5854 56.4291 32.4047 176.5423 49 K 4.4506 8.2789 121.9193 53.8721 36.3262 175.9714 50 G 3.8227 8.1808 108.1660 45.5074 0.0000 172.7932 51 N 4.1488 8.6094 117.7006 54.8967 38.9278 175.4708 52 G 3.9040 8.8278 108.7829 46.4343 0.0000 174.0063 53 Y 4.0287 7.8550 123.4719 59.3848 39.1820 174.8045 54 Y 5.7701 7.7248 116.2291 55.8693 40.9564 174.7207 55 H 5.5474 8.6784 119.4139 53.9488 33.2435 172.2829 56 E 5.3205 8.6876 118.7325 54.8160 32.9064 174.8435 57 F 5.1485 9.1067 119.0021 56.2936 43.8708 173.9364 58 T 4.4817 9.3186 119.9887 63.3064 69.2643 174.2372 59 V 4.5838 8.0317 125.7479 59.9668 33.3104 175.7900 60 V 3.5850 8.6455 127.6966 63.3481 31.9651 175.7182 61 T 4.4565 8.0420 123.5449 60.9024 68.6466 172.1811 62 P 4.3920 0.0000 0.0000 62.2041 29.3099 175.0089 *66 D 4.3528 7.9401 124.2608 54.8218 42.2245 175.7186 67 R 3.8436 8.4827 123.7697 56.9280 30.9975 177.7489 68 G 3.7514 7.9157 104.9767 44.3773 0.0000 172.3728 69 T 4.2391 7.9836 105.4932 61.2099 71.4631 174.3322 70 R 4.2587 7.2801 121.1523 56.1814 31.3254 175.9313 71 R 5.0920 8.6291 121.4619 54.6691 35.2373 174.0558 72 V 5.1561 8.9715 121.0390 61.2829 34.9496 174.4175 73 V 5.1800 9.0997 126.4847 61.4426 34.5195 174.5681 74 T 5.2571 9.4179 117.9808 60.2998 71.9682 173.4413 75 G 4.8220 8.3121 109.2625 43.2313 0.0000 174.7367 76 G 3.1813 5.8134 108.8739 47.3575 0.0000 174.2735 77 Y 4.4650 8.1439 116.0072 57.8151 38.2946 176.2467 78 G 4.0118 8.2087 107.5368 45.0377 0.0000 174.1891 79 E 4.2068 8.0608 118.9639 56.4037 30.9933 175.8678 80 Q 5.0417 8.2010 120.2436 54.4689 33.1401 173.7195 81 Y 5.2952 9.5808 120.6908 55.9831 42.1392 174.1874 82 W 5.3892 9.4713 132.7066 55.8708 33.7602 174.6633 83 S 4.3455 8.5809 120.6029 54.6770 64.4728 172.3649 84 P 3.7696 0.0000 0.0000 63.2050 31.8556 176.0135 85 D 4.4627 6.6235 119.7402 52.8876 39.3182 174.2700 86 H 3.6551 8.6143 113.3834 58.8300 28.5434 174.2457 87 Y 2.9960 7.5248 111.5580 58.3412 36.0575 171.1119 88 A 4.1101 7.6877 125.2101 54.6888 18.6381 178.7717 89 T 4.7097 7.8777 104.1853 59.7894 71.9942 172.5575 90 F 5.2792 8.5234 119.7960 55.9180 42.9235 174.2150 91 Q 4.9906 9.1680 121.0468 53.9517 32.2540 174.4688 92 E 4.3778 9.2168 125.6052 56.0700 30.8768 175.6306 93 I 4.4346 8.3953 129.0880 61.1698 38.1913 175.1621 94 D 4.7494 9.4239 128.6449 52.4216 41.4055 175.1701 95 P 4.4419 0.0000 0.0000 64.2330 31.8207 177.0238 96 R 4.4500 7.7627 115.2625 56.0497 30.2358 173.9983 97 C 4.4764 7.7151 119.5466 55.9490 42.9151 173.6407 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 5 L 8.18 4.52 0.00 1.70 1.84 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.75 4.11 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 7 D 8.49 5.64 0.00 2.59 2.61 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 0.00 8 V 8.36 4.51 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 0.88 0.00 0.00 0.90 0.00 0.00 9 C 8.89 4.72 0.00 2.98 3.07 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 10 R 8.67 3.75 0.00 1.90 2.00 0.00 3.30 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 11 T 7.63 3.91 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 1.21 0.00 0.00 12 K 7.54 4.31 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81 13 L 7.28 4.02 0.00 1.42 1.01 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.03 1.93 0.00 2.63 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 S 8.63 4.10 0.00 4.01 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 0.00 16 Q 8.01 4.14 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 17 A 7.81 4.00 0.84 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 0.00 0.00 18 Q 7.89 3.87 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 19 D 8.23 4.37 0.00 2.91 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 20 T 7.92 3.93 4.49 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 1.30 0.00 0.00 21 L 8.09 4.02 0.00 1.83 1.69 0.87 0.81 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 22 A 8.15 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.88 0.00 2.04 1.81 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.31 3.91 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 1.33 0.76 0.00 0.00 25 A 8.03 4.04 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 26 K 7.52 4.29 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.54 7.81 27 N 8.62 4.15 0.00 2.89 2.98 0.00 0.00 6.99 7.70 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 28 G 7.71 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 0.00 0.00 0.00 29 P 0.00 4.07 0.00 2.10 1.97 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 30 Y 8.08 4.71 0.00 3.26 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 31 P 0.00 4.18 0.00 1.12 1.86 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 32 Y 7.94 4.88 0.00 3.55 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 33 N 8.92 4.32 0.00 2.76 2.85 0.00 0.00 7.17 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 34 R 8.99 4.05 0.00 2.15 2.11 0.00 3.23 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 35 D 8.02 4.52 0.00 2.90 2.68 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 36 G 7.57 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 37 V 7.13 3.92 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 0.69 0.00 0.00 0.95 0.00 0.00 38 V 8.30 3.89 2.04 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 0.77 0.00 0.00 0.88 0.00 0.00 39 F 8.84 4.54 0.00 2.94 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 40 E 8.19 3.81 0.00 1.73 1.75 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 2.26 2.12 0.00 41 N 6.46 3.76 0.00 2.72 2.74 0.00 0.00 7.25 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 42 R 6.90 3.84 0.00 1.77 1.88 0.00 3.10 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 43 E 8.00 4.15 0.00 1.98 1.99 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 2.27 2.27 0.00 44 S 7.80 3.80 0.00 3.92 3.88 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 45 R 8.13 4.26 0.00 2.06 2.22 0.00 3.53 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 46 L 7.26 4.39 0.00 1.12 0.84 -0.64 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.13 2.05 0.00 3.56 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 2.19 2.19 0.00 48 K 8.47 4.15 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 49 K 8.28 4.45 0.00 1.22 0.74 0.00 0.80 0.00 0.00 1.33 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 0.21 7.81 50 G 8.18 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.61 4.15 0.00 2.72 2.79 0.00 0.00 6.96 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 52 G 8.83 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 53 Y 7.86 4.03 0.00 3.01 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 54 Y 7.72 5.77 0.00 3.47 2.99 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 55 H 8.68 5.55 0.00 3.16 2.95 0.00 5.55 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.69 5.32 0.00 2.23 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 2.37 2.21 0.00 57 F 9.11 5.15 0.00 3.03 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 58 T 9.32 4.48 4.44 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 0.93 0.00 0.00 59 V 8.03 4.58 2.32 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 1.06 0.00 0.00 1.16 0.00 0.00 60 V 8.65 3.59 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 0.90 0.00 0.00 1.11 0.00 0.00 61 T 8.04 4.46 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 1.20 0.00 0.00 62 P 0.00 4.39 0.00 2.19 2.11 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 *66 D 7.94 4.35 0.00 2.66 2.61 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 0.00 67 R 8.48 3.84 0.00 1.77 1.83 0.00 3.27 0.00 0.00 3.29 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 68 G 7.92 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 69 T 7.98 4.24 4.04 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 0.00 0.00 0.00 1.09 0.00 0.00 70 R 7.28 4.26 0.00 2.05 2.05 0.00 3.10 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 71 R 8.63 5.09 0.00 1.18 1.61 0.00 3.19 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 72 V 8.97 5.16 2.33 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 1.22 0.00 0.00 1.18 0.00 0.00 73 V 9.10 5.18 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 0.68 0.00 0.00 0.66 0.00 0.00 74 T 9.42 5.26 4.37 0.00 0.00 0.00 0.00 0.00 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 75 G 8.31 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 5.81 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 0.00 0.00 0.00 77 Y 8.14 4.46 0.00 3.04 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 78 G 8.21 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 79 E 8.06 4.21 0.00 2.16 1.68 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 2.58 2.50 0.00 80 Q 8.20 5.04 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 81 Y 9.58 5.30 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 82 W 9.47 5.39 0.00 3.35 3.09 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 83 S 8.58 4.35 0.00 3.02 3.07 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 84 P 0.00 3.77 0.00 2.03 1.88 0.00 3.24 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 85 D 6.62 4.46 0.00 2.71 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 86 H 8.61 3.66 0.00 3.08 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.52 3.00 0.00 3.22 3.16 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 0.00 0.00 0.00 0.00 88 A 7.69 4.11 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 89 T 7.88 4.71 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 1.16 0.00 0.00 90 F 8.52 5.28 0.00 2.89 2.99 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 91 Q 9.17 4.99 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 92 E 9.22 4.38 0.00 2.25 1.90 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 2.20 1.99 0.00 93 I 8.40 4.43 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.88 0.00 0.00 94 D 9.42 4.75 0.00 2.91 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 95 P 0.00 4.44 0.00 2.20 2.30 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 96 R 7.76 4.45 0.00 1.90 2.06 0.00 3.17 0.00 0.00 3.48 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 97 C 7.72 4.48 0.00 3.04 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 * Residues marked with a * may have inaccurate shift predictions.