NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 4.0510 8.0393 120.3909 62.2363 33.4079 176.0622 23 P 4.2286 0.0000 0.0000 61.8383 31.9742 175.9236 24 L 4.0885 7.9473 122.3603 55.5103 40.3069 179.0235 25 F 3.6532 7.9677 115.8307 57.3665 39.1742 174.6650 26 D 4.8587 8.6512 119.8518 53.5075 41.1158 174.8531 27 N 5.0222 8.6604 112.5843 54.0635 41.4983 175.4760 28 S 4.5104 7.9722 113.7679 57.2082 61.4032 172.5689 29 I 4.4771 7.2617 122.1795 59.2490 40.4929 175.5216 30 T 4.0480 8.4318 124.6106 63.8720 69.5057 174.7318 31 S 4.6577 8.5109 121.2401 59.0725 64.0154 175.5264 32 K 4.3693 7.8238 124.4556 57.9469 33.4351 177.2892 33 D 4.3893 7.8202 118.6006 57.3121 40.9198 178.1046 34 K 3.6583 9.0134 120.9386 59.9123 32.1545 178.1872 35 E 3.9482 7.8239 117.9445 58.9464 29.4638 179.0890 36 V 3.5244 8.1896 118.8922 65.9343 31.5945 177.6430 37 I 3.4462 7.6903 118.9904 64.7255 36.7106 177.6221 38 E 3.8567 7.7568 117.8497 60.0625 29.5842 179.6944 39 T 3.9045 7.6235 114.8357 66.5681 68.4858 176.4005 40 L 3.7514 7.7734 120.9744 58.0439 41.6962 179.6389 41 S 3.7459 8.0537 113.9853 61.6565 62.4110 176.4710 42 E 3.7444 8.0699 122.5297 58.9117 29.4315 178.3457 43 I 3.4904 7.2449 119.2882 64.8633 37.2998 176.9405 44 Y 4.3257 9.0051 120.6930 61.1652 38.3632 178.0529 45 S 3.9632 8.3303 113.4011 61.8157 62.4264 176.4907 46 I 3.6501 8.1588 122.4358 64.6105 36.8925 178.0118 47 V 3.5905 7.9026 118.8327 66.6065 30.9347 178.1318 48 I 3.5655 7.4100 111.8964 64.1697 37.2896 178.3900 49 T 3.7863 7.5372 117.1786 66.4060 68.3360 175.8639 50 L 3.8196 8.5355 122.5421 58.6238 41.9704 178.4257 51 D 4.3753 8.0633 117.4780 57.9121 41.1494 178.4691 52 H 3.9758 7.9831 115.0377 58.8792 28.7870 177.5760 53 V 3.6101 7.7104 119.7906 66.3018 31.0974 177.4035 54 E 4.1772 7.9966 117.2058 59.5000 29.7548 178.4144 55 K 4.0065 8.0461 118.0062 59.7813 32.2141 178.7613 56 A 4.0042 8.4146 121.0235 55.7798 18.2328 179.1134 57 Y 4.0632 8.2284 117.5585 60.2113 38.6154 176.9144 58 L 4.3194 7.7232 117.5332 54.6351 42.0136 176.9980 59 K 4.4504 7.4642 118.4293 55.7483 33.0563 178.7669 60 D 4.3105 7.2669 119.7418 55.8290 40.7375 175.9403 61 S 4.1740 8.2336 115.1749 61.0812 62.8632 174.6001 62 I 4.4635 7.5469 117.9971 59.1720 39.7585 173.6979 63 D 5.0393 8.1331 124.7027 52.9264 43.4160 177.1409 64 D 4.5249 9.0441 125.7090 57.3324 40.1467 178.9197 65 T 3.8606 8.1775 109.8905 65.5783 68.1548 175.2844 66 Q 3.8525 8.4799 121.4270 58.3449 28.8254 178.2021 67 Y 4.1512 8.1756 119.5797 61.5281 38.7055 178.6981 68 T 3.5434 8.0201 116.1848 66.9263 68.4656 175.8354 69 N 4.2860 7.7557 117.9815 55.6782 38.3739 176.9875 70 T 3.7961 7.8320 110.4792 65.3894 68.7972 176.2126 71 V 3.3088 7.7007 121.4722 65.2914 31.5107 177.0281 72 D 4.2678 7.7727 117.6505 57.4584 40.8746 178.4185 73 K 3.8078 8.3263 119.9974 59.6957 32.1011 178.1898 74 L 3.9687 8.1181 119.2146 58.1417 41.7389 179.2711 75 L 3.8918 8.3601 120.1953 58.2026 41.6118 179.1434 76 K 4.0290 7.9262 118.6261 59.5288 32.6702 178.1950 77 Q 4.0730 8.2972 118.6920 59.7838 28.7252 178.7975 78 F 4.0953 8.6062 120.3180 61.9001 39.2561 176.7986 79 K 3.7892 8.4419 117.2207 59.8211 31.8000 179.1072 80 V 3.4295 7.3558 116.8749 66.1610 31.5512 177.0786 81 Y 4.1866 7.3514 114.9439 61.1641 38.1004 178.7496 82 L 4.0571 7.4885 118.9670 57.6158 41.6471 178.6330 83 N 4.7513 7.8083 114.2458 52.8042 39.7564 175.5020 84 S 4.3151 7.2289 115.0566 57.6068 63.3685 173.9337 85 Q 4.0623 8.5048 123.3898 59.4457 28.8662 177.7365 86 N 4.8276 7.7536 117.2149 52.7778 36.8932 174.2820 87 K 4.1610 8.0632 122.9668 58.2758 33.6206 178.0538 88 E 3.9084 8.2114 117.7980 60.0752 29.9289 179.0566 89 E 4.1121 8.1880 117.8024 60.1513 29.5397 178.6956 90 I 3.7395 7.9846 118.0999 63.9203 36.7501 177.3394 91 N 4.3685 8.4606 119.4225 56.6707 38.8505 176.3462 92 K 3.9279 8.5897 119.0608 59.6811 32.0381 177.0180 93 H 4.2221 6.5828 118.8562 56.2409 30.8261 175.7160 94 F 5.0086 7.7850 119.1656 55.8201 40.8593 177.0342 95 Q 4.7440 7.7965 128.0062 54.1667 28.7590 177.5958 96 S 4.3534 8.7782 120.6655 59.7074 64.8679 174.7613 97 I 3.8350 8.5297 124.3488 65.1927 36.6767 177.6722 98 E 3.8778 8.3879 117.2747 59.7227 29.5136 178.1319 99 A 4.2322 8.1798 119.6251 55.6285 18.5389 179.2805 100 F 4.3208 8.3017 118.2250 61.7564 39.4384 177.0335 101 C 4.3705 8.6470 116.0805 61.9434 27.7708 174.8192 102 D 4.7106 8.2771 119.7094 55.2795 41.0317 178.6750 103 T 3.9694 7.4796 114.4053 65.9490 68.7062 174.9069 104 Y 3.9894 7.8811 120.7800 57.2150 39.8998 173.9624 105 N 4.2244 7.5514 117.5079 54.3265 36.8772 175.5502 106 I 4.2449 8.1882 112.8150 59.2646 36.7951 174.3067 107 T 3.8476 8.3563 122.8274 64.9836 68.8922 173.2045 108 A 4.3574 8.4693 127.0638 52.9832 21.5018 176.1671 109 S 3.7747 8.4385 105.7520 59.5612 61.0991 171.5806 110 N 4.8736 8.0968 117.4160 53.7178 43.3040 175.9250 111 A 4.0152 8.8400 119.7884 55.5270 17.9296 179.3505 112 I 3.6086 7.9061 117.4837 65.3835 37.1599 178.4338 113 T 4.1595 8.4649 116.2752 66.1817 68.2125 177.2420 114 R 3.8629 7.9598 120.3196 59.2394 30.0275 178.7277 115 L 4.0116 7.0603 115.6798 56.3522 41.5091 177.5469 116 E 4.5453 7.4044 117.5300 55.6484 30.1189 176.6358 117 R 4.5276 8.3049 115.7401 55.1580 32.5786 171.6896 118 G 3.8882 8.0964 113.8196 42.9936 0.0000 169.9785 119 I 4.0044 7.9670 113.2419 59.9687 40.8455 173.5088 120 P 4.5346 0.0000 0.0000 62.7361 32.1088 175.4064 121 I 4.3276 8.1969 120.0929 61.5667 38.6371 175.3874 122 T 3.3995 8.5805 118.7842 64.4411 66.3506 172.1006 *123 A 4.1104 7.9643 128.7233 52.5224 18.8971 177.3931 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 22 V 8.04 4.05 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 0.99 0.00 0.00 0.92 0.00 0.00 23 P 0.00 4.23 0.00 2.50 1.99 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 24 L 7.95 4.09 0.00 1.14 1.42 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.97 3.65 0.00 3.25 3.11 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 0.00 26 D 8.65 4.86 0.00 2.88 2.80 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 27 N 8.66 5.02 0.00 2.71 2.88 0.00 0.00 6.79 7.57 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 28 S 7.97 4.51 0.00 4.00 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 29 I 7.26 4.48 2.08 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 1.13 0.74 0.97 0.00 0.00 30 T 8.43 4.05 4.45 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 1.22 0.00 0.00 31 S 8.51 4.66 0.00 3.85 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 32 K 7.82 4.37 0.00 1.79 1.75 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.48 7.81 33 D 7.82 4.39 0.00 2.99 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 34 K 9.01 3.66 0.00 1.64 1.80 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.61 7.81 35 E 7.82 3.95 0.00 2.14 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 2.30 2.31 0.00 36 V 8.19 3.52 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 0.97 0.00 0.00 1.01 0.00 0.00 37 I 7.69 3.45 1.84 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 1.45 0.25 0.76 0.00 0.00 38 E 7.76 3.86 0.00 2.11 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 2.52 2.51 0.00 39 T 7.62 3.90 4.34 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 1.19 0.00 0.00 40 L 7.77 3.75 0.00 1.61 1.63 -0.12 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.05 3.75 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 42 E 8.07 3.74 0.00 1.76 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 1.57 2.08 0.00 43 I 7.24 3.49 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.09 0.80 0.00 0.00 44 Y 9.01 4.33 0.00 3.14 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 45 S 8.33 3.96 0.00 3.98 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 46 I 8.16 3.65 2.16 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 1.00 0.00 0.00 47 V 7.90 3.59 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 1.04 0.00 0.00 1.20 0.00 0.00 48 I 7.41 3.57 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.13 -0.02 0.00 0.00 49 T 7.54 3.79 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 1.19 0.00 0.00 50 L 8.54 3.82 0.00 1.71 1.82 0.83 1.36 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 51 D 8.06 4.38 0.00 2.82 2.82 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 52 H 7.98 3.98 0.00 3.45 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.71 3.61 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 1.07 0.00 0.00 0.99 0.00 0.00 54 E 8.00 4.18 0.00 2.12 2.16 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 2.42 2.56 0.00 55 K 8.05 4.01 0.00 2.01 1.85 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.58 7.81 56 A 8.41 4.00 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 57 Y 8.23 4.06 0.00 3.12 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 58 L 7.72 4.32 0.00 1.75 1.62 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.46 4.45 0.00 1.87 1.70 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.33 7.81 60 D 7.27 4.31 0.00 2.76 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 61 S 8.23 4.17 0.00 3.85 3.95 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 62 I 7.55 4.46 1.98 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 1.49 0.93 1.17 0.00 0.00 63 D 8.13 5.04 0.00 2.73 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 64 D 9.04 4.52 0.00 3.00 2.71 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 0.00 0.00 0.00 0.00 65 T 8.18 3.86 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 1.24 0.00 0.00 66 Q 8.48 3.85 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 67 Y 8.18 4.15 0.00 2.93 2.87 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 0.00 0.00 0.00 0.00 68 T 8.02 3.54 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 1.21 0.00 0.00 69 N 7.76 4.29 0.00 2.72 2.75 0.00 0.00 6.68 6.93 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 70 T 7.83 3.80 4.17 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 0.00 0.00 1.19 0.00 0.00 71 V 7.70 3.31 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 0.69 0.00 0.00 0.13 0.00 0.00 72 D 7.77 4.27 0.00 2.94 2.71 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 0.00 0.00 0.00 0.00 73 K 8.33 3.81 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 74 L 8.12 3.97 0.00 1.84 1.72 0.88 0.46 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 75 L 8.36 3.89 0.00 1.75 1.66 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.93 4.03 0.00 2.03 1.88 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 77 Q 8.30 4.07 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.44 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 78 F 8.61 4.10 0.00 3.19 3.26 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 79 K 8.44 3.79 0.00 2.09 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.73 7.81 80 V 7.36 3.43 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 0.61 0.00 0.00 0.88 0.00 0.00 81 Y 7.35 4.19 0.00 2.91 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 82 L 7.49 4.06 0.00 1.51 1.57 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.81 4.75 0.00 2.69 2.79 0.00 0.00 7.07 7.12 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 84 S 7.23 4.32 0.00 4.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.50 4.06 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.25 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 86 N 7.75 4.83 0.00 2.75 2.77 0.00 0.00 6.78 7.61 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 87 K 8.06 4.16 0.00 1.95 1.76 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 E 8.21 3.91 0.00 2.11 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 2.41 2.43 0.00 89 E 8.19 4.11 0.00 1.95 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 2.35 2.53 0.00 90 I 7.98 3.74 2.11 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 1.46 0.89 0.83 0.00 0.00 91 N 8.46 4.37 0.00 2.76 2.91 0.00 0.00 6.47 7.11 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 92 K 8.59 3.93 0.00 1.78 1.75 0.00 2.04 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.60 7.81 93 H 6.58 4.22 0.00 3.08 2.03 0.00 5.67 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 94 F 7.79 5.01 0.00 3.05 3.04 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 0.00 95 Q 7.80 4.74 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 96 S 8.78 4.35 0.00 3.92 3.87 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 0.00 0.00 0.00 0.00 97 I 8.53 3.83 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.05 0.98 0.00 0.00 98 E 8.39 3.88 0.00 1.99 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 2.35 2.53 0.00 99 A 8.18 4.23 1.48 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 0.00 0.00 100 F 8.30 4.32 0.00 3.23 3.36 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 0.00 101 C 8.65 4.37 0.00 3.22 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 0.00 102 D 8.28 4.71 0.00 2.83 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 0.00 103 T 7.48 3.97 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 1.30 0.00 0.00 104 Y 7.88 3.99 0.00 2.76 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 0.00 105 N 7.55 4.22 0.00 2.77 2.75 0.00 0.00 7.22 8.05 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 0.00 106 I 8.19 4.24 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.84 0.00 0.00 107 T 8.36 3.85 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 1.23 0.00 0.00 108 A 8.47 4.36 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 0.00 109 S 8.44 3.77 0.00 3.96 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 0.00 110 N 8.10 4.87 0.00 2.74 3.15 0.00 0.00 7.04 7.48 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 0.00 111 A 8.84 4.02 1.33 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 0.00 112 I 7.91 3.61 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.88 0.93 0.00 0.00 113 T 8.46 4.16 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 0.00 114 R 7.96 3.86 0.00 1.88 1.90 0.00 3.68 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 115 L 7.06 4.01 0.00 1.80 1.57 0.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.40 4.55 0.00 2.10 1.95 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 2.51 2.36 0.00 117 R 8.30 4.53 0.00 1.76 1.73 0.00 3.17 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 118 G 8.10 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 0.00 119 I 7.97 4.00 1.86 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 1.35 0.39 0.90 0.00 0.00 120 P 0.00 4.53 0.00 2.29 1.95 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 121 I 8.20 4.33 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.94 0.00 0.00 122 T 8.58 3.40 4.28 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 1.24 0.00 0.00 *123 A 7.96 4.11 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.