NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.2055 8.1849 122.4996 55.0355 44.3418 176.8281 6 S 4.5563 7.9589 127.2030 57.8754 63.4382 173.3471 7 G 4.1455 8.9502 116.3204 45.6073 0.0000 174.9613 8 T 4.0214 8.8789 119.9312 62.9953 69.1200 172.3499 9 W 4.9369 8.8018 125.9229 55.5260 31.4502 174.6984 10 Y 5.1155 9.3139 122.3804 56.4828 40.0151 175.4152 11 V 5.0028 8.9548 116.5431 59.9775 36.8137 174.1519 12 L 5.4452 8.4908 120.9991 53.7798 43.9223 176.1418 13 E 4.4630 8.4073 116.6614 57.3394 32.2563 173.5559 14 G 3.9780 8.8358 106.4373 46.3758 0.0000 173.3945 15 D 4.4123 8.8293 117.0107 53.1238 42.2159 174.2097 16 P 4.0699 0.0000 0.0000 64.5905 31.6602 175.3448 17 G 4.3258 8.9324 119.0265 44.8003 0.0000 172.5844 18 E 4.5390 7.8763 120.4350 54.0154 31.6194 175.4487 19 H 5.3504 8.3350 122.6133 54.3711 31.0128 173.0074 20 L 4.3106 8.5751 122.5994 55.4186 42.5863 176.4610 21 V 4.9106 8.4146 125.8008 60.9673 34.1086 174.5592 22 V 4.2850 9.2801 128.3989 60.0415 33.5402 174.3459 23 E 5.2837 9.2058 127.0461 53.5626 30.0496 173.9673 24 A 4.6370 8.1628 128.6468 50.9717 21.4518 175.8187 25 L 3.5748 9.4330 122.7619 55.8345 39.2577 176.0792 26 G 4.0993 8.5301 109.1988 45.4753 0.0000 174.5283 27 E 4.0267 7.8348 121.3912 56.1767 30.4030 176.0938 28 R 4.8701 8.6030 126.4356 55.0220 31.7824 175.3573 29 L 5.2994 8.9294 123.8545 51.9992 45.8374 176.1162 30 S 5.0481 7.7485 115.9712 55.6998 66.0382 172.2638 31 G 3.7013 8.4754 104.5460 44.4867 0.0000 172.3404 32 I 4.5716 7.2269 122.2517 58.8400 41.1006 174.2248 33 W 5.0127 9.6857 127.1463 55.2119 31.7389 176.5687 34 T 4.5160 9.9247 117.9404 62.7807 67.3642 175.0517 35 S 4.7269 7.7318 114.6943 56.6830 67.2849 174.7803 36 R 3.0487 7.4927 122.9249 58.9454 29.6745 178.7720 37 E 3.8206 7.8019 118.1843 59.3944 29.5941 178.9051 38 L 3.9001 7.7007 119.6135 58.0670 42.0219 178.8510 39 A 2.5800 7.5313 120.8285 54.3968 18.2232 179.2964 40 E 3.9042 8.0293 116.8927 58.8498 29.4246 179.0887 41 A 3.9527 7.8804 120.7517 54.9074 18.6244 179.0746 42 F 4.1712 8.0898 119.1945 61.4154 39.3742 177.1086 43 L 3.8300 7.6774 119.6142 58.0738 41.6401 178.7319 44 A 3.8753 7.8547 119.6978 54.6570 18.2976 178.2566 45 H 4.5415 7.3677 111.7478 55.5455 30.4122 175.0745 46 H 4.6789 7.7543 117.1520 53.9796 28.8364 170.3369 47 P 4.3676 0.0000 0.0000 63.0566 32.6834 177.4000 48 H 4.4337 8.6904 113.0145 56.8596 25.9266 175.5737 49 L 4.5062 7.5383 117.4958 53.7493 42.0195 176.6083 50 G 3.7675 7.7971 108.4095 45.9727 0.0000 173.1888 *52 R 4.1842 7.3438 117.2894 55.9874 31.7247 176.4381 53 V 4.2109 8.3738 121.0171 63.3068 32.5166 175.0521 54 S 4.8502 9.7707 121.6623 56.4963 65.9792 172.2290 55 A 4.6157 8.6904 127.9412 50.8371 20.3547 176.8472 56 L 4.3779 8.9428 122.4789 53.1799 43.2971 176.7370 57 E 3.8945 8.6165 124.7832 57.8513 30.7181 177.5618 58 S 4.4165 7.5045 112.8723 57.6110 65.5503 175.1357 59 R 3.7212 8.3211 121.4146 59.0891 29.7012 179.1962 60 A 3.9289 7.8005 120.1213 55.2728 18.6641 179.4265 61 L 3.9586 7.6536 116.8339 57.8487 41.6269 180.1151 62 K 3.9890 7.8314 118.2602 59.5753 31.8726 179.3151 63 E 3.9897 8.4737 119.0057 59.3995 29.4712 179.3419 64 A 4.0319 8.4948 121.2539 55.0044 18.3392 179.2186 65 Y 4.0504 7.9747 117.9079 61.0709 39.0411 177.9376 66 L 3.8666 8.3238 119.9585 57.8579 41.4682 179.7537 67 R 4.0174 8.2571 117.3447 58.5446 30.0755 178.5834 68 A 4.1190 7.4602 119.7564 55.2466 18.7584 179.3653 69 L 4.1105 7.8298 117.6815 57.5398 41.6022 180.1986 70 G 3.6901 7.6851 102.5138 45.6604 0.0000 174.3817 *72 L 4.1881 7.6156 117.7240 53.7338 43.1176 177.2617 73 Q 3.5322 8.0142 115.0487 56.4543 26.5533 173.7510 74 V 3.8011 7.6642 118.6615 62.5116 31.2962 175.6491 75 E 4.2526 8.8029 128.0913 58.6713 30.7376 176.3860 76 A 5.0872 7.6925 119.0769 49.9737 23.3528 174.4657 77 V 4.4067 8.4177 121.0542 61.1135 35.5701 175.5685 *79 V 3.7357 8.4359 119.1216 63.3590 32.3871 175.3921 80 D 4.2549 8.3101 129.1911 55.4735 38.4939 173.9072 81 Y 4.2175 7.1806 118.6668 57.6021 40.2058 174.5864 82 R 4.4264 7.6699 125.6421 53.4344 31.7597 173.9553 83 P 4.3061 0.0000 0.0000 64.4256 31.6958 176.4980 84 G 3.8904 9.0620 109.4478 46.1447 0.0000 172.8364 85 T 4.6275 7.2684 112.6018 60.2341 69.5106 174.1558 86 H 4.3944 8.6878 122.3028 58.6268 29.2640 176.3869 87 R 3.9307 7.9663 118.6222 56.3081 30.5056 176.0491 88 A 4.6281 7.8718 122.8072 51.5261 20.8803 176.3714 89 Q 4.1902 8.7316 121.8972 56.7765 29.4478 176.3248 90 V 4.6629 8.3051 122.0365 61.1217 34.4839 174.5450 91 A 4.6699 8.9014 127.0851 49.9998 22.3032 176.1192 92 R 4.3480 8.5793 121.8169 55.9169 31.2445 178.0892 93 V 3.5524 8.9905 122.1235 65.9618 31.4533 178.4259 94 K 3.8461 8.1432 117.8944 59.8742 31.8908 178.6223 95 D 4.2986 8.0064 117.9158 57.5789 40.8716 178.4075 96 L 4.3251 7.9666 120.7535 57.2699 41.3806 179.9110 97 L 4.0312 8.0639 118.0636 58.0025 41.7569 179.2810 98 E 4.1236 7.7553 116.3553 58.8416 29.0205 179.1740 99 E 4.1717 8.2677 119.4785 59.2164 29.6505 179.1912 100 V 3.6500 7.8229 117.2848 63.5467 31.3359 176.2124 101 R 4.0598 7.6892 123.5394 56.8761 29.9589 176.1812 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 4.21 0.00 1.63 1.66 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.96 4.56 0.00 4.20 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 0.00 0.00 0.00 0.00 8 T 8.88 4.02 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 0.82 0.00 0.00 9 W 8.80 4.94 0.00 3.22 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 10 Y 9.31 5.12 0.00 3.21 2.97 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 11 V 8.95 5.00 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 0.24 0.00 0.00 0.80 0.00 0.00 12 L 8.49 5.45 0.00 1.71 1.73 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.41 4.46 0.00 1.93 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 0.00 2.26 2.28 0.00 14 G 8.84 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 15 D 8.83 4.41 0.00 2.81 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 P 0.00 4.07 0.00 2.04 2.04 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 17 G 8.93 4.33 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 0.00 18 E 7.88 4.54 0.00 2.05 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 0.00 2.24 2.32 0.00 19 H 8.33 5.35 0.00 3.31 3.66 0.00 5.94 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.58 4.31 0.00 1.87 1.69 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.41 4.91 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 0.89 0.00 0.00 0.97 0.00 0.00 22 V 9.28 4.29 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 0.77 0.00 0.00 0.92 0.00 0.00 23 E 9.21 5.28 0.00 1.97 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 2.18 2.11 0.00 24 A 8.16 4.64 1.19 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 25 L 9.43 3.57 0.00 1.87 1.74 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.53 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 0.00 0.00 0.00 27 E 7.83 4.03 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 2.26 2.26 0.00 28 R 8.60 4.87 0.00 1.77 1.82 0.00 3.10 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 29 L 8.93 5.30 0.00 1.47 1.39 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.75 5.05 0.00 3.81 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 31 G 8.48 3.70 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 0.00 0.00 0.00 32 I 7.23 4.57 1.33 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 0.10 0.00 0.00 33 W 9.69 5.01 0.00 3.53 3.15 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 0.00 34 T 9.92 4.52 4.36 0.00 0.00 0.00 0.00 0.00 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 35 S 7.73 4.73 0.00 4.12 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 36 R 7.49 3.05 0.00 0.93 1.58 0.00 3.16 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 37 E 7.80 3.82 0.00 2.03 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 2.35 2.36 0.00 38 L 7.70 3.90 0.00 1.78 1.87 1.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.53 2.58 1.18 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 40 E 8.03 3.90 0.00 2.08 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 2.23 2.42 0.00 41 A 7.88 3.95 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 42 F 8.09 4.17 0.00 3.06 2.69 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 0.00 0.00 0.00 43 L 7.68 3.83 0.00 1.83 1.73 0.95 1.44 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 44 A 7.85 3.88 1.26 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 45 H 7.37 4.54 0.00 2.88 3.11 0.00 5.80 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.75 4.68 0.00 2.52 3.03 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.37 0.00 1.73 1.83 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 48 H 8.69 4.43 0.00 3.31 3.41 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.54 4.51 0.00 1.51 1.73 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.34 4.18 0.00 2.00 2.14 0.00 3.06 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 53 V 8.37 4.21 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 0.89 0.00 0.00 0.86 0.00 0.00 54 S 9.77 4.85 0.00 3.90 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 55 A 8.69 4.62 1.21 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 0.00 0.00 56 L 8.94 4.38 0.00 1.46 1.48 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.62 3.89 0.00 1.83 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 0.00 2.17 2.20 0.00 58 S 7.50 4.42 0.00 4.02 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 59 R 8.32 3.72 0.00 1.76 1.92 0.00 3.26 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 A 7.80 3.93 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 61 L 7.65 3.96 0.00 1.64 1.71 0.89 0.74 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 62 K 7.83 3.99 0.00 1.57 1.08 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.73 1.26 7.81 63 E 8.47 3.99 0.00 2.16 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 2.34 2.30 0.00 64 A 8.49 4.03 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 65 Y 7.97 4.05 0.00 3.18 3.31 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 66 L 8.32 3.87 0.00 1.95 1.76 1.20 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.26 4.02 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 68 A 7.46 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.11 0.00 1.63 1.56 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.69 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 *72 L 7.62 4.19 0.00 1.76 1.73 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.01 3.53 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 74 V 7.66 3.80 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 0.75 0.00 0.00 0.88 0.00 0.00 75 E 8.80 4.25 0.00 1.90 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 2.53 2.23 0.00 76 A 7.69 5.09 1.08 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 0.00 0.00 77 V 8.42 4.41 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 0.71 0.00 0.00 0.84 0.00 0.00 *79 V 8.44 3.74 1.93 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 0.69 0.00 0.00 0.68 0.00 0.00 80 D 8.31 4.25 0.00 2.75 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 81 Y 7.18 4.22 0.00 2.75 2.97 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 82 R 7.67 4.43 0.00 1.70 1.70 0.00 3.16 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 83 P 0.00 4.31 0.00 1.93 2.01 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 84 G 9.06 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 85 T 7.27 4.63 4.18 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 1.19 0.00 0.00 86 H 8.69 4.39 0.00 3.17 3.37 0.00 5.96 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.97 3.93 0.00 1.80 1.87 0.00 3.33 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 88 A 7.87 4.63 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 89 Q 8.73 4.19 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 90 V 8.31 4.66 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 0.72 0.00 0.00 0.91 0.00 0.00 91 A 8.90 4.67 1.07 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 92 R 8.58 4.35 0.00 2.10 1.84 0.00 3.32 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 93 V 8.99 3.55 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 1.12 0.00 0.00 0.96 0.00 0.00 94 K 8.14 3.85 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 95 D 8.01 4.30 0.00 2.82 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 96 L 7.97 4.33 0.00 1.92 1.98 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.06 4.03 0.00 1.92 1.75 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.76 4.12 0.00 2.05 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 2.61 0.00 99 E 8.27 4.17 0.00 2.34 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 0.00 2.37 2.61 0.00 100 V 7.82 3.65 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 0.83 0.00 0.00 0.74 0.00 0.00 101 R 7.69 4.06 0.00 2.00 1.90 0.00 3.36 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.