NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2354 8.1685 122.1294 54.7536 33.3053 175.5339 5 A 4.5908 8.5826 126.5844 49.4526 19.1640 174.5684 6 H 4.9395 7.7718 113.8189 54.6440 31.6349 172.7480 7 R 4.2038 8.4472 122.3248 56.3981 30.3725 176.1368 8 L 4.4408 8.9559 127.2520 55.5551 42.5499 177.5109 9 S 4.5327 10.4131 118.6968 57.3881 65.0354 175.1156 10 A 4.0482 8.7982 123.4790 55.9112 18.0182 180.2560 11 E 3.9240 8.0881 116.2521 61.3606 29.9303 180.8388 12 E 4.1767 8.0944 119.8949 59.3352 29.4305 179.7983 13 R 3.9295 8.1827 118.0502 59.4418 29.9195 178.9292 14 D 4.3971 8.0882 119.9728 57.5939 40.8405 178.7878 15 Q 4.3022 7.8359 119.8678 58.3323 28.4925 180.6345 16 L 4.7750 7.8372 116.5901 55.9168 43.7354 178.4041 17 L 4.1494 8.1643 119.3479 56.7894 41.5545 177.1347 18 P 4.2324 0.0000 0.0000 66.0780 30.9293 178.2429 19 N 4.3456 8.1321 114.2936 56.2306 38.4483 177.3464 20 L 4.1009 7.8209 120.0149 57.6142 41.8664 179.3353 21 R 4.7290 8.9401 119.5767 58.8499 29.8064 178.9475 22 A 4.1247 8.2127 119.5492 54.3378 18.2956 179.0459 23 V 4.2532 6.7253 108.8419 61.3694 32.1613 176.6269 24 G 3.8042 7.7019 106.4355 44.8835 0.0000 174.7149 25 W 4.4171 8.3029 120.9480 56.3409 30.5252 175.2842 26 N 5.2660 8.6296 120.2108 51.4544 42.7446 172.9678 27 E 5.1691 8.6913 119.8629 55.1509 30.9525 176.4351 28 L 4.2440 9.1770 127.3491 55.4794 42.6860 177.7130 29 E 4.3650 9.2836 119.2848 58.1420 29.4842 174.0936 30 G 3.7292 8.1061 116.5651 44.7374 0.0000 172.9144 31 R 4.5870 7.3848 114.6237 54.7622 31.8745 174.7933 32 D 4.7551 8.5396 119.7145 53.6038 40.7530 174.4433 33 A 4.8449 8.1222 124.4479 50.7119 22.9867 174.5389 34 I 5.3903 8.5811 113.0741 59.4809 40.9167 174.5408 35 F 5.8047 9.3281 117.7649 56.2351 41.9071 172.9700 36 K 4.0786 8.6305 119.0658 55.1930 35.7637 173.8126 37 Q 4.6679 8.1902 128.2100 54.8483 30.2962 174.4579 38 F 4.5313 9.3933 125.3652 56.0082 41.9444 174.4246 39 H 5.0748 8.0394 117.7202 54.0627 31.8589 172.6725 40 F 4.8186 8.9478 123.1381 55.8293 42.2836 176.3832 41 K 4.1830 8.9188 121.2742 57.5170 31.8718 175.0988 42 D 4.3378 7.4396 116.7537 50.8276 42.3454 175.3216 43 F 4.2264 7.8606 120.7590 60.6391 39.1885 176.4051 44 N 4.0829 8.1964 116.4416 56.9695 38.5845 176.9003 45 R 3.7222 8.2184 118.8732 58.9566 30.1444 178.8213 46 A 2.9656 7.4821 120.5515 54.8988 18.2901 179.4474 47 F 3.6344 8.1403 119.2654 60.5472 39.3165 177.8489 48 G 3.4188 7.6299 105.8049 47.3826 0.0000 175.4437 49 F 4.0242 7.9305 123.1587 61.4300 39.4029 177.1076 50 M 3.6194 7.5728 118.1249 58.2838 31.5195 178.9771 51 S 3.9078 7.6825 115.5212 61.6062 62.8258 177.0347 52 R 3.9660 7.7745 120.7175 59.1739 29.7152 179.3209 53 V 3.7282 7.8578 117.9784 65.7743 31.6085 177.9587 54 A 3.9806 8.6484 121.0569 55.0675 18.2114 179.5846 55 L 3.8947 7.8957 117.5308 58.0725 41.6493 179.6229 56 Q 3.6583 7.7996 119.1758 58.6884 28.7981 177.9492 57 A 4.0385 7.7944 123.5738 54.6024 18.2088 179.4327 58 E 3.9663 7.9944 116.5861 58.9754 29.3147 179.3946 59 K 3.8262 7.7203 119.3557 58.7727 32.3865 178.0011 60 L 4.2809 7.8443 116.4457 53.3227 42.7079 175.5970 61 D 4.3313 7.3860 117.1935 55.1958 40.1655 173.0633 62 H 4.7837 8.0995 116.5598 54.5870 32.9220 171.3114 63 H 4.7285 8.4180 123.3622 53.1424 31.3953 171.8837 64 P 4.4430 0.0000 0.0000 62.2215 33.1196 175.5012 65 E 4.6931 8.9475 121.4247 54.6977 30.5782 175.0322 66 W 5.9170 9.0001 121.0203 54.5502 31.8975 174.3794 67 F 5.1490 9.6118 123.7171 56.5633 41.7024 173.1682 68 N 5.3039 8.3392 123.9123 51.7039 41.9430 173.8701 69 V 4.0791 8.1069 124.5669 61.5904 35.0447 176.8582 70 Y 3.7291 9.0924 131.8320 58.8865 38.5575 171.0347 71 N 4.8356 9.4211 116.5139 52.6759 38.9717 174.6431 72 K 5.0625 8.2291 119.6520 54.9568 35.3086 175.5634 73 V 4.7710 8.7907 123.1318 61.7467 34.8864 173.2545 74 H 5.4581 9.8152 129.1331 54.7987 31.8891 173.4035 75 I 5.3712 9.0178 126.3993 59.9643 40.6445 174.5515 76 T 5.5043 9.4961 123.1042 61.8551 71.9913 172.9664 77 L 5.0990 9.2697 125.5770 53.2202 45.1573 175.5071 78 S 4.9296 8.3932 114.9024 58.0776 65.7039 174.3461 79 T 4.5929 8.4901 123.8537 62.7449 69.8880 176.3009 *80 H 4.2092 8.9710 124.1092 57.3246 28.4870 173.5795 81 E 4.0411 8.3432 119.5374 58.6429 29.4623 176.9879 82 C 4.6815 7.9089 109.5974 56.5908 30.3085 173.2015 83 A 3.7302 7.5968 120.9666 52.9503 16.4683 176.8992 84 G 3.9861 7.3871 107.5480 46.1239 0.0000 172.9609 85 L 4.5866 8.6384 120.1678 54.7662 42.1673 176.8986 86 S 4.8240 8.9706 118.7619 56.2714 66.4495 175.2314 87 E 3.9882 8.0016 119.0181 61.1028 29.0553 176.3508 88 R 3.9540 7.7031 116.6210 59.6082 29.8860 178.7972 89 D 4.3400 7.8656 118.8176 57.1457 40.8654 178.8489 90 I 3.5171 7.4892 119.8699 64.3974 37.1911 178.1282 91 N 4.3235 8.3211 117.6333 56.1719 38.3067 177.3573 92 L 3.9765 7.9415 121.6262 57.9388 42.1912 178.7861 93 A 3.7931 8.0807 121.1325 55.0504 18.0201 179.5259 94 S 4.0541 8.0734 111.6286 61.4692 62.4722 176.2236 95 F 4.2577 8.3462 123.3417 61.3941 39.1243 177.0415 96 I 3.7921 8.3958 119.9031 64.6535 36.7124 178.2484 97 E 4.2984 8.3608 118.3846 59.6094 29.6425 179.1203 98 Q 4.1115 7.7970 118.1543 58.8405 28.7153 179.0004 99 V 3.5877 7.6103 119.1006 65.8726 31.2779 177.6681 100 A 4.1338 8.4630 120.7275 55.5489 17.8263 179.9013 101 V 3.6778 7.3619 114.7888 66.0904 31.7618 178.2531 102 S 4.2653 7.9967 112.5880 60.6734 62.8417 174.6230 103 M 4.3274 7.4746 125.4927 55.4147 32.1209 175.4613 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 K 8.17 4.24 0.00 1.70 1.77 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 5 A 8.58 4.59 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 6 H 7.77 4.94 0.00 3.24 3.28 0.00 5.54 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.45 4.20 0.00 1.86 1.91 0.00 3.27 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 8 L 8.96 4.44 0.00 1.51 1.60 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 S 10.41 4.53 0.00 3.73 4.02 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 0.00 0.00 0.00 10 A 8.80 4.05 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 11 E 8.09 3.92 0.00 1.99 1.97 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 2.31 1.97 0.00 12 E 8.09 4.18 0.00 2.26 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 2.34 2.37 0.00 13 R 8.18 3.93 0.00 2.02 1.98 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 14 D 8.09 4.40 0.00 2.83 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 15 Q 7.84 4.30 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 16 L 7.84 4.78 0.00 1.61 1.67 0.89 0.84 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 17 L 8.16 4.15 0.00 1.81 1.71 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.23 0.00 2.15 2.13 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 19 N 8.13 4.35 0.00 2.72 2.88 0.00 0.00 7.10 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 20 L 7.82 4.10 0.00 1.76 1.56 0.61 0.79 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 21 R 8.94 4.73 0.00 1.97 1.99 0.00 3.61 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 22 A 8.21 4.12 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 23 V 6.73 4.25 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 0.82 0.00 0.00 1.21 0.00 0.00 24 G 7.70 3.80 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 0.00 0.00 0.00 25 W 8.30 4.42 0.00 3.30 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 26 N 8.63 5.27 0.00 1.44 2.52 0.00 0.00 6.83 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 27 E 8.69 5.17 0.00 1.94 1.98 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 2.34 2.40 0.00 28 L 9.18 4.24 0.00 1.75 1.60 0.91 0.44 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 29 E 9.28 4.37 0.00 1.98 1.77 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 2.17 1.86 0.00 30 G 8.11 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 31 R 7.38 4.59 0.00 1.90 1.87 0.00 3.04 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 32 D 8.54 4.76 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.84 1.32 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 0.00 0.00 34 I 8.58 5.39 2.15 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.97 0.00 0.00 35 F 9.33 5.80 0.00 3.22 3.27 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 36 K 8.63 4.08 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.54 7.81 37 Q 8.19 4.67 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 38 F 9.39 4.53 0.00 2.99 2.23 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 39 H 8.04 5.07 0.00 2.75 3.07 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.95 4.82 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.18 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 D 7.44 4.34 0.00 2.80 2.83 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 43 F 7.86 4.23 0.00 2.80 3.02 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 0.00 0.00 0.00 44 N 8.20 4.08 0.00 2.81 2.92 0.00 0.00 7.24 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 45 R 8.22 3.72 0.00 1.80 1.77 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 46 A 7.48 2.97 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 47 F 8.14 3.63 0.00 1.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.42 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 0.00 49 F 7.93 4.02 0.00 2.43 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 50 M 7.57 3.62 0.00 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.36 0.00 51 S 7.68 3.91 0.00 3.80 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 52 R 7.77 3.97 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 53 V 7.86 3.73 2.22 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 0.80 0.00 0.00 0.51 0.00 0.00 54 A 8.65 3.98 1.45 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 0.00 0.00 55 L 7.90 3.89 0.00 1.85 1.68 0.92 0.80 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 56 Q 7.80 3.66 0.00 1.27 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 57 A 7.79 4.04 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 58 E 7.99 3.97 0.00 2.11 1.97 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 2.34 2.46 0.00 59 K 7.72 3.83 0.00 1.72 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 60 L 7.84 4.28 0.00 1.51 1.58 0.74 1.06 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 61 D 7.39 4.33 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 62 H 8.10 4.78 0.00 3.10 2.96 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.42 4.73 0.00 2.98 3.00 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.44 0.00 1.43 1.58 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.95 4.69 0.00 2.12 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 0.00 2.26 2.35 0.00 66 W 9.00 5.92 0.00 3.39 3.24 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 0.00 67 F 9.61 5.15 0.00 3.19 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 68 N 8.34 5.30 0.00 2.57 2.47 0.00 0.00 6.87 7.71 0.00 0.00 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 V 8.11 4.08 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 0.94 0.00 0.00 0.57 0.00 0.00 70 Y 9.09 3.73 0.00 3.15 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.42 4.84 0.00 2.99 2.62 0.00 0.00 5.80 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 72 K 8.23 5.06 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.45 7.81 73 V 8.79 4.77 2.50 0.00 0.00 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 1.09 0.00 0.00 74 H 9.82 5.46 0.00 3.61 3.47 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.02 5.37 2.28 0.00 0.00 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 1.79 1.16 1.24 0.00 0.00 76 T 9.50 5.50 4.41 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 1.41 0.00 0.00 77 L 9.27 5.10 0.00 1.54 1.72 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.39 4.93 0.00 3.88 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 79 T 8.49 4.59 4.39 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 1.23 0.00 0.00 *80 H 8.97 4.21 0.00 2.83 3.07 0.00 7.20 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 81 E 8.34 4.04 0.00 1.92 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 2.29 2.31 0.00 82 C 7.91 4.68 0.00 3.08 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 83 A 7.60 3.73 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 84 G 7.39 3.99 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 0.00 0.00 0.00 85 L 8.64 4.59 0.00 1.67 1.58 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.97 4.82 0.00 4.06 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 87 E 8.00 3.99 0.00 2.18 2.01 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 2.24 2.23 0.00 88 R 7.70 3.95 0.00 1.52 1.43 0.00 2.95 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 89 D 7.87 4.34 0.00 2.80 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 90 I 7.49 3.52 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.05 0.83 0.00 0.00 91 N 8.32 4.32 0.00 2.64 2.81 0.00 0.00 6.70 7.43 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 92 L 7.94 3.98 0.00 1.81 1.62 0.86 1.18 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 93 A 8.08 3.79 0.54 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 0.00 0.00 94 S 8.07 4.05 0.00 3.97 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 95 F 8.35 4.26 0.00 3.20 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 96 I 8.40 3.79 2.40 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.29 0.00 0.00 97 E 8.36 4.30 0.00 2.28 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 0.00 2.99 2.76 0.00 98 Q 7.80 4.11 0.00 1.87 2.01 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 2.36 2.58 0.00 99 V 7.61 3.59 2.26 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 1.14 0.00 0.00 0.47 0.00 0.00 100 A 8.46 4.13 1.60 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 0.00 0.00 101 V 7.36 3.68 2.26 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 0.90 0.00 0.00 1.03 0.00 0.00 102 S 8.00 4.27 0.00 4.08 3.99 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 0.00 103 M 7.47 4.33 0.00 1.93 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.84 0.00 * Residues marked with a * may have inaccurate shift predictions.