NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4171 0.0000 0.0000 62.2942 32.2433 176.7930 5 I 3.5396 8.6323 125.3448 63.1712 37.9861 175.4698 6 L 4.7986 7.0033 116.8379 53.4700 42.5149 176.1227 7 K 4.2460 7.8014 117.1822 57.8676 33.6534 176.6338 8 D 4.3960 8.6523 117.7646 55.1621 38.7147 173.2419 9 V 4.2619 7.3098 119.0253 61.5260 33.3791 174.8893 10 V 4.7639 8.9064 128.1472 61.1357 33.5307 173.7087 11 A 5.0024 9.1874 131.0319 51.1403 20.6987 175.0718 12 Y 4.8960 9.0004 123.5055 55.7466 41.4780 174.3019 13 V 4.4619 7.9767 126.6404 61.2890 33.3693 175.3244 14 E 4.5315 9.3297 128.9334 53.8597 30.4863 171.9763 15 V 4.5951 8.9033 121.8588 60.4927 34.2640 173.9392 16 W 5.0386 8.9637 128.1370 54.1654 32.2332 175.7975 17 S 4.6156 8.6517 117.2896 58.4410 63.1500 175.6976 18 S 4.4038 9.1612 113.9472 59.9603 62.9034 174.6288 19 N 4.6575 8.1676 116.7165 52.0561 37.3618 174.8450 20 G 3.7346 8.2875 106.6630 47.0765 0.0000 174.8473 21 T 4.4969 7.7650 109.3873 60.8619 70.7757 174.0821 22 E 4.4651 8.1490 122.3555 54.1668 31.8342 174.3646 23 N 3.3160 7.9099 122.0110 52.3276 38.7680 173.8022 24 Y 4.9345 7.9613 123.9944 58.2502 38.6799 178.4062 25 S 4.0319 8.2001 119.9757 61.5362 62.6272 176.0601 26 K 3.8097 8.1165 121.9177 60.0635 31.5540 178.4088 27 T 3.6372 7.3488 111.6478 64.4552 67.3959 175.3334 28 F 4.5185 7.8834 118.7690 59.6434 39.6768 177.7044 29 T 3.9404 8.0551 115.4973 67.2216 68.1663 176.6232 30 T 3.8834 7.6720 117.4407 66.6464 68.2723 176.8493 31 Q 3.9442 7.9301 118.4259 58.9421 29.0503 178.6261 32 L 4.1266 8.0107 119.9383 57.7434 41.4932 179.5112 33 V 3.6665 7.5023 116.9322 66.0133 31.5076 179.2056 34 D 4.5890 8.0058 117.2874 54.2518 40.8757 177.3672 *36 G 3.9974 7.9864 104.3083 45.5896 0.0000 173.7905 37 A 4.5815 8.0952 122.1111 51.4972 19.5086 177.4992 38 K 4.3788 8.9034 121.6618 55.5544 34.1067 175.5969 39 V 4.8628 8.3064 126.0232 61.2363 33.3999 174.5524 40 S 4.6487 9.3041 123.5441 57.1332 62.9511 174.1505 41 K 4.2346 9.0110 128.0047 58.7519 32.3776 176.8417 42 T 4.6687 7.6214 106.3372 59.5339 71.2517 174.2731 43 F 4.1729 7.7909 125.6127 56.9607 37.9160 174.2387 44 N 4.9532 7.9633 124.1017 50.1176 39.9940 176.3522 45 K 4.0218 8.5262 116.4361 59.6515 32.0897 178.5479 46 Q 4.1608 8.1804 116.8625 57.7065 28.9799 176.7737 47 V 3.9596 7.7007 118.5200 63.1760 32.0844 175.4289 48 T 4.5706 9.1551 116.7646 62.3564 71.2253 173.8952 49 H 5.2018 7.9947 118.9927 54.0650 33.5339 172.2437 50 V 4.6533 8.9201 123.0949 61.1340 34.2100 174.2621 51 I 4.7078 8.4764 129.6216 60.2636 38.2739 174.5611 52 F 5.3270 8.9607 129.8969 56.1632 42.1295 174.5005 53 K 4.1980 8.5464 127.4669 55.4820 35.3366 175.4725 54 D 4.4272 8.5431 128.8268 55.3037 38.6260 173.7805 55 G 3.8276 6.0978 108.5789 44.1937 0.0000 173.7896 56 Y 4.2092 8.8967 117.3441 57.9075 39.3822 177.2230 57 Q 4.2789 8.9939 123.4584 59.0928 28.8997 179.2327 58 S 4.2118 8.3612 115.0316 61.8375 62.9089 176.6991 59 T 4.2038 8.1725 118.8410 66.1498 68.3944 176.2187 60 W 3.7526 8.2908 129.8538 60.6035 30.6667 177.7768 61 D 4.4053 8.6563 119.0072 57.2680 40.2935 178.6744 62 K 3.8296 8.2005 119.9712 59.2395 32.2115 178.7515 63 A 4.2496 8.3243 121.1205 55.4211 17.8505 179.6099 64 Q 3.7226 7.8264 116.5800 58.7315 28.4933 178.8939 65 K 3.8574 8.0648 119.9223 59.7317 32.4232 178.6501 66 R 4.1781 7.9324 115.0955 56.2146 30.1450 177.3858 67 G 3.8631 7.3308 105.7143 46.0982 0.0000 174.2146 68 V 3.8207 7.4147 112.3206 60.4159 32.5845 176.5321 69 K 3.7449 8.4673 124.3726 56.6487 33.1776 175.6863 70 L 4.8481 8.3390 127.5243 53.5059 43.7004 175.1197 71 V 5.0199 8.5255 120.0679 59.2609 35.3858 175.9658 72 S 4.8425 8.5101 118.2969 57.6553 64.8134 175.7052 73 V 3.3780 8.3245 112.9293 64.1789 30.9719 178.4766 74 L 3.8574 7.9459 119.8849 57.6562 41.8243 178.5942 75 W 4.1271 8.1748 128.2131 60.5544 30.7272 178.1517 76 V 3.2894 7.5774 117.9947 65.8081 30.9672 177.6632 77 E 3.9063 8.0447 118.7285 59.1153 29.4853 178.9483 78 K 3.9223 8.0301 118.7706 59.2193 31.9924 179.3035 79 C 4.0834 7.5855 118.4832 62.1468 27.8071 175.6695 80 R 3.8020 7.3259 118.9352 59.7622 29.6154 178.1848 81 T 3.9393 7.4855 107.4317 64.9529 68.9120 176.1044 82 A 4.1664 8.0717 122.2065 51.8331 18.6026 177.3440 83 G 3.9347 8.1257 104.9060 46.2481 0.0000 173.2546 84 A 4.6046 7.4369 119.1877 50.1020 22.2984 176.1621 85 H 4.6574 8.6207 120.8808 55.0983 28.7155 174.5301 86 I 4.0484 7.9888 126.7353 60.1882 37.9759 175.5855 87 D 4.4478 8.9664 122.8058 54.9512 40.9786 177.5715 88 E 3.9825 9.0903 126.5816 59.2529 29.2835 179.2707 89 S 4.1584 7.7946 112.8259 61.2006 62.9759 176.2327 90 L 4.0161 7.6115 121.6236 55.8837 42.8108 177.1359 91 F 5.1950 7.7254 116.4652 55.1242 39.1467 172.3652 92 P 4.8020 0.0000 0.0000 62.2364 32.6229 177.8500 93 A 4.5293 8.6651 123.4552 52.3244 19.1520 176.6715 94 A 4.8849 8.8188 120.7764 50.1247 21.9142 176.5783 95 N 4.1725 8.1062 117.0625 53.4721 39.0268 174.3750 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 4 P 0.00 4.42 0.00 2.24 2.29 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 5 I 8.63 3.54 1.82 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 1.39 0.63 0.87 0.00 0.00 6 L 7.00 4.80 0.00 1.72 1.59 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.80 4.25 0.00 1.89 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.52 7.81 8 D 8.65 4.40 0.00 2.91 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 9 V 7.31 4.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 10 V 8.91 4.76 2.29 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 0.91 0.00 0.00 1.01 0.00 0.00 11 A 9.19 5.00 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 12 Y 9.00 4.90 0.00 2.95 2.54 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 0.00 0.00 0.00 0.00 13 V 7.98 4.46 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 0.87 0.00 0.00 0.95 0.00 0.00 14 E 9.33 4.53 0.00 1.85 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 0.00 2.48 2.71 0.00 15 V 8.90 4.60 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 0.97 0.00 0.00 0.62 0.00 0.00 16 W 8.96 5.04 0.00 3.11 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 17 S 8.65 4.62 0.00 3.94 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 18 S 9.16 4.40 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 19 N 8.17 4.66 0.00 2.79 2.93 0.00 0.00 6.07 7.00 0.00 0.00 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 G 8.29 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 0.00 0.00 0.00 21 T 7.77 4.50 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 1.25 0.00 0.00 22 E 8.15 4.47 0.00 1.29 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 23 N 7.91 3.32 0.00 1.44 1.96 0.00 0.00 7.04 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 24 Y 7.96 4.93 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.03 0.00 3.76 3.83 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 0.00 0.00 0.00 26 K 8.12 3.81 0.00 1.83 1.79 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 27 T 7.35 3.64 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 1.17 0.00 0.00 28 F 7.88 4.52 0.00 3.35 3.14 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 0.00 29 T 8.06 3.94 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 1.23 0.00 0.00 30 T 7.67 3.88 4.16 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 1.17 0.00 0.00 31 Q 7.93 3.94 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 32 L 8.01 4.13 0.00 1.90 1.76 1.03 0.99 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 33 V 7.50 3.67 2.19 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 0.83 0.00 0.00 1.02 0.00 0.00 34 D 8.01 4.59 0.00 2.82 2.65 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 *36 G 7.99 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 37 A 8.10 4.58 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 38 K 8.90 4.38 0.00 1.88 1.71 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 39 V 8.31 4.86 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 0.88 0.00 0.00 1.01 0.00 0.00 40 S 9.30 4.65 0.00 3.97 3.94 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 0.00 0.00 0.00 41 K 9.01 4.23 0.00 1.83 1.89 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.50 7.81 42 T 7.62 4.67 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 1.25 0.00 0.00 43 F 7.79 4.17 0.00 1.66 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 44 N 7.96 4.95 0.00 2.97 2.95 0.00 0.00 6.13 6.44 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 45 K 8.53 4.02 0.00 1.77 1.93 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.39 7.81 46 Q 8.18 4.16 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 47 V 7.70 3.96 2.42 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 0.64 0.00 0.00 1.12 0.00 0.00 48 T 9.16 4.57 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 1.26 0.00 0.00 49 H 7.99 5.20 0.00 3.04 3.02 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.92 4.65 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 1.20 0.00 0.00 0.29 0.00 0.00 51 I 8.48 4.71 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.43 0.82 0.00 0.00 52 F 8.96 5.33 0.00 3.08 3.06 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 0.00 0.00 0.00 53 K 8.55 4.20 0.00 1.72 1.48 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.41 7.81 54 D 8.54 4.43 0.00 2.99 2.62 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 55 G 6.10 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.90 4.21 0.00 3.14 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 57 Q 8.99 4.28 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 58 S 8.36 4.21 0.00 4.07 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 0.00 59 T 8.17 4.20 5.08 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 1.80 0.00 0.00 60 W 8.29 3.75 0.00 3.05 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 61 D 8.66 4.41 0.00 2.79 2.74 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 62 K 8.20 3.83 0.00 1.69 1.82 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.50 1.03 7.81 63 A 8.32 4.25 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 64 Q 7.83 3.72 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 65 K 8.06 3.86 0.00 1.73 1.99 0.00 1.72 0.00 0.00 1.62 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 66 R 7.93 4.18 0.00 1.94 1.96 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 67 G 7.33 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 68 V 7.41 3.82 2.17 0.00 0.00 0.00 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 0.95 0.00 0.00 69 K 8.47 3.74 0.00 1.15 1.38 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.11 1.27 7.81 70 L 8.34 4.85 0.00 1.37 1.18 0.58 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.53 5.02 1.87 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 -0.05 0.00 0.00 0.59 0.00 0.00 72 S 8.51 4.84 0.00 3.94 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 0.00 73 V 8.32 3.38 1.10 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 0.36 0.00 0.00 0.86 0.00 0.00 74 L 7.95 3.86 0.00 1.69 1.60 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.17 4.13 0.00 3.60 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.58 3.29 2.38 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 1.01 0.00 0.00 1.22 0.00 0.00 77 E 8.04 3.91 0.00 2.09 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 2.17 2.22 0.00 78 K 8.03 3.92 0.00 1.55 1.81 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.27 7.81 79 C 7.59 4.08 0.00 2.51 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 80 R 7.33 3.80 0.00 1.80 2.04 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 81 T 7.49 3.94 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 1.21 0.00 0.00 82 A 8.07 4.17 1.38 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 0.00 0.00 0.00 83 G 8.13 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 0.00 0.00 0.00 84 A 7.44 4.60 1.22 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 0.00 0.00 85 H 8.62 4.66 0.00 3.38 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.99 4.05 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 1.22 0.00 0.00 87 D 8.97 4.45 0.00 2.73 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 88 E 9.09 3.98 0.00 2.00 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 0.00 1.98 1.76 0.00 89 S 7.79 4.16 0.00 4.02 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 90 L 7.61 4.02 0.00 1.44 1.25 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.73 5.19 0.00 3.39 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 92 P 0.00 4.80 0.00 2.15 2.07 0.00 3.88 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 2.08 2.01 0.00 93 A 8.67 4.53 1.67 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 94 A 8.82 4.88 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 95 N 8.11 4.17 0.00 1.44 1.53 0.00 0.00 6.88 7.56 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 * Residues marked with a * may have inaccurate shift predictions.