NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 S 4.4353 8.3349 115.3005 58.2579 63.4094 173.3614 28 L 4.5545 8.4410 124.6523 54.4606 41.6899 174.8567 29 H 5.2738 8.2322 116.2864 53.3917 32.5744 173.5695 30 V 3.7116 6.3656 121.7613 63.1754 31.7952 175.3069 31 T 4.8044 8.7647 117.4067 59.8171 72.0686 172.6896 32 A 4.8491 8.4279 123.6020 50.0963 21.6254 175.1276 33 D 4.6257 8.3956 121.0592 52.6056 44.9897 174.7223 34 A 4.4502 8.2568 122.5306 50.7657 20.4235 174.5492 35 P 4.0749 0.0000 0.0000 65.4996 31.5991 178.1063 36 G 3.4021 8.4981 104.5383 48.6443 0.0000 174.8403 37 A 3.7549 7.7049 124.6664 52.9345 15.9155 175.5978 38 A 5.1540 7.8685 124.8436 50.5622 22.4520 175.2365 39 Q 4.4120 8.1939 119.3483 56.8029 29.0884 177.4952 40 G 3.8671 8.9804 110.2533 46.0374 0.0000 173.3525 41 G 4.1446 7.9720 107.6292 44.8412 0.0000 172.0484 42 Y 5.3353 8.4766 120.7234 55.9209 40.4613 174.9140 43 S 4.6844 8.5925 121.5846 56.5807 67.9400 173.4097 44 V 3.8746 8.2878 122.8306 62.4535 31.9572 175.1533 45 V 4.1963 8.6828 129.3782 61.4636 33.5291 174.3571 46 T 4.6552 8.3689 124.9332 61.7786 70.9387 173.1952 47 F 4.9328 9.0497 126.2795 55.9302 41.1116 174.7529 48 R 4.8603 8.7432 125.3374 54.6530 32.0015 174.7837 49 V 4.6818 8.8223 127.3236 60.4220 33.9269 172.6094 50 P 4.3388 0.0000 0.0000 62.1166 32.9951 175.9705 51 T 4.3013 8.3683 119.8913 62.2625 69.0784 175.7348 52 E 4.8745 9.4362 132.9229 55.0492 28.9058 175.7580 53 S 4.6244 7.3983 111.5455 56.7673 66.1685 173.1981 54 E 4.3866 8.7111 123.4861 57.5192 29.9201 177.5090 55 T 4.4043 7.8082 105.8758 61.7626 71.0018 173.9137 56 A 4.7980 8.3610 122.4376 50.5574 20.7249 176.5302 57 A 5.0270 8.8630 121.1855 50.2631 22.7519 176.0186 58 T 4.3144 8.6120 117.3234 63.6235 69.3242 175.4957 59 T 4.5933 9.2058 115.6911 61.6095 71.1515 173.4418 60 A 5.3850 7.7385 122.4479 51.4710 22.9940 174.6628 61 M 5.0005 9.2660 119.0448 54.1904 35.9755 173.9473 62 T 5.0302 9.0559 122.7246 61.7071 71.8706 173.1658 63 V 4.7187 8.8170 126.0694 61.2588 35.0133 174.3213 64 T 4.7014 9.1131 124.8936 63.0814 69.5709 173.9831 65 L 5.1525 8.5267 126.7075 51.6847 44.2323 175.0784 66 P 4.4482 0.0000 0.0000 63.5051 31.2403 176.2463 67 N 4.2519 7.7540 112.3832 55.2063 36.7025 175.1288 68 V 4.1510 7.4097 111.1821 60.7155 33.5373 179.6781 69 R 4.0735 8.7790 122.3065 58.6274 30.8360 177.0663 70 S 4.9231 8.5678 113.3574 56.4340 65.5536 173.3627 71 A 4.9929 8.3645 127.0936 51.3535 21.9067 175.6568 72 R 4.7483 9.1345 122.0084 54.8296 34.2310 175.5106 73 T 5.1250 8.9273 113.7743 60.1128 70.8683 173.4585 74 E 4.8556 8.6055 119.6392 53.6440 32.2107 174.1437 75 P 4.2876 0.0000 0.0000 63.3505 32.0313 176.1461 76 M 4.5876 8.4816 121.2038 52.5986 33.2862 172.0651 77 P 4.4838 0.0000 0.0000 64.2841 32.1040 177.3774 78 G 3.9960 9.4006 110.2931 44.9600 0.0000 172.4612 79 W 5.4563 8.2890 118.2762 55.1128 33.0242 174.8035 80 T 4.8782 9.3587 119.4068 61.8257 70.7946 173.1376 81 A 5.2411 8.7500 126.9790 49.9939 21.7960 175.6757 82 R 4.5707 8.7020 117.3734 54.1888 33.0538 174.5414 83 V 4.6033 8.2259 121.0895 61.3002 33.4409 174.5300 84 D 4.8118 8.7911 128.3203 53.8109 42.3883 175.9178 85 R 5.1958 8.3923 119.6473 54.6893 34.3008 175.1826 86 N 4.8950 8.5666 119.3422 51.3643 39.8371 175.2310 87 D 4.2938 8.5941 116.3981 56.3712 39.4958 176.9831 88 K 4.2258 8.1352 116.8602 56.1346 32.2704 177.0037 89 S 4.0175 8.2481 114.1507 59.1067 60.8339 170.0078 90 E 4.3785 8.2440 120.2482 55.5575 30.1995 175.5832 91 A 4.6378 9.0639 125.2450 52.2170 19.0219 178.4267 92 V 4.2378 8.7443 116.4509 62.4074 34.1103 175.8711 93 S 5.1366 7.5335 113.1316 57.6040 66.1632 174.4214 94 V 4.7323 8.4790 119.3134 60.2451 34.8128 174.4843 95 T 4.9865 8.6420 119.4601 61.6260 72.3587 172.7245 96 W 5.3969 9.3847 126.1302 55.4230 32.1835 175.1959 97 T 5.3065 9.4052 119.6368 61.6229 72.2898 173.1414 98 A 3.3947 8.7797 129.2084 51.2893 18.8257 177.2616 99 D 4.4471 8.7759 123.4440 53.6102 42.3632 174.7875 100 P 4.3809 0.0000 0.0000 64.4993 31.8322 175.7554 101 G 4.0102 8.9024 110.2188 45.4459 0.0000 173.1727 102 N 4.4149 7.6531 118.7045 52.2456 38.8430 173.0723 103 P 4.2408 0.0000 0.0000 63.1816 31.8700 177.2856 104 G 3.7019 8.0250 108.4101 44.5574 0.0000 172.5122 105 V 3.9728 8.5721 119.2672 62.1097 31.8709 176.4010 106 Q 4.4988 8.5911 126.2171 54.5945 29.4752 173.6074 107 P 4.3295 0.0000 0.0000 64.7024 31.6066 177.1046 108 G 3.9447 8.6570 111.1198 45.2716 0.0000 173.0431 109 Q 4.7883 7.9299 118.6387 54.5209 31.6146 174.4285 110 F 5.2718 8.7890 118.1198 55.9290 42.5423 174.7764 111 Q 4.3841 8.7784 120.9667 54.4993 32.6078 173.8809 112 R 4.7123 8.0823 124.1586 55.0373 31.9418 175.6888 113 F 3.9303 8.8220 121.7581 55.1903 42.4180 174.1452 114 V 4.9910 8.1532 123.1318 60.9635 34.5512 174.4147 115 V 4.8452 8.9337 126.6937 60.1349 35.1634 174.0733 116 S 5.0417 9.3956 119.7590 56.8225 63.7835 172.8095 117 I 5.0899 8.2598 120.0970 59.0893 41.4484 174.3636 118 G 4.5685 8.1837 110.5354 45.4632 0.0000 170.3972 119 P 5.1936 0.0000 0.0000 62.1959 32.4202 176.4169 120 L 4.3386 9.1287 122.5579 54.0919 42.6681 175.0824 121 P 4.5550 0.0000 0.0000 62.7309 32.7110 176.2779 122 S 4.9285 8.2994 118.8262 57.1411 60.4636 173.3542 123 A 4.7473 7.5236 122.8587 50.1098 22.8368 176.5313 124 E 4.2416 8.7861 119.2474 59.1363 30.6894 177.3435 125 T 5.2874 7.7700 113.9885 61.5929 72.6069 174.0727 126 V 4.4163 8.7120 123.7849 60.0629 34.7494 174.6989 127 S 5.0795 8.4123 118.4127 56.9673 65.9437 174.1603 128 F 5.0730 8.8874 120.2738 53.1738 39.1696 172.3265 129 P 4.6865 0.0000 0.0000 63.1240 32.7783 174.9289 130 A 5.2111 9.2271 123.9622 50.3126 23.5527 174.6437 131 E 5.1374 9.3583 118.4298 54.7086 33.5582 174.6287 132 Q 4.6445 9.4789 126.7505 54.7418 31.4404 174.1511 133 T 5.0812 8.8614 123.8057 62.5628 70.8047 173.6401 134 Y 5.2302 9.0503 123.6353 55.9846 40.5257 177.2411 135 S 4.1831 9.1996 117.2297 61.2423 63.0737 175.0303 136 D 4.5981 8.1848 118.4753 53.3362 39.4124 176.9202 137 G 4.0470 8.2885 109.5210 45.4185 0.0000 174.6272 138 R 4.2219 8.2423 119.0238 56.1845 31.4476 175.8775 139 V 4.9290 8.2167 121.1867 61.2544 34.4125 174.5500 140 V 4.1651 9.1426 128.3630 61.3773 33.1749 174.2466 141 A 4.8821 8.1961 129.7403 50.2456 19.9065 177.5773 142 W 4.8768 9.4258 124.4369 54.5845 28.6494 175.7419 143 N 5.2024 8.0962 113.9381 52.3599 39.1944 175.1680 144 Q 4.5048 8.4317 119.3968 54.9724 30.3913 174.2031 145 P 4.8532 0.0000 0.0000 61.3535 32.5265 174.1593 146 P 4.4427 0.0000 0.0000 61.8099 31.8353 176.5025 147 A 4.1823 8.3390 122.7795 53.1410 18.6094 177.7479 148 A 4.4650 8.0910 119.6108 53.1378 24.2063 176.8273 *151 S 4.2991 7.7882 112.0208 58.4848 64.0547 172.8791 152 E 4.8364 8.2648 123.7093 53.5111 29.7052 172.2363 153 P 4.4371 0.0000 0.0000 62.3379 32.2885 177.4049 154 E 4.2843 8.6950 119.7887 58.2566 30.8050 176.2184 155 H 4.9894 8.5247 115.8148 53.7277 28.1530 171.8279 156 P 5.0342 0.0000 0.0000 62.3358 32.7957 178.0462 157 A 4.5044 8.8134 124.6112 51.6192 19.0360 175.8781 158 P 4.5234 0.0000 0.0000 63.4745 32.6101 175.6015 159 T 5.3180 8.5704 118.7762 61.9376 72.7802 173.1154 160 L 4.9415 9.1228 124.2158 53.3259 45.3732 175.6216 161 T 4.8885 8.5063 118.7383 62.6399 69.9183 174.0186 162 L 4.8044 8.6183 126.1579 52.5946 43.6861 176.5903 163 A 4.2077 8.4459 125.7394 51.8204 19.9089 177.7603 164 T 4.0022 8.3474 115.3926 63.9708 68.5482 174.7209 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 27 S 8.33 4.44 0.00 3.86 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 28 L 8.44 4.55 0.00 1.80 1.91 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.23 5.27 0.00 3.13 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 6.37 3.71 1.20 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 0.61 0.00 0.00 -0.57 0.00 0.00 31 T 8.76 4.80 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 32 A 8.43 4.85 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.40 4.63 0.00 2.61 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 0.00 0.00 0.00 0.00 34 A 8.26 4.45 1.09 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 0.00 0.00 35 P 0.00 4.07 0.00 2.02 2.11 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 36 G 8.50 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.75 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 5.15 1.24 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 0.00 0.00 39 Q 8.19 4.41 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.19 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 40 G 8.98 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 0.00 0.00 0.00 41 G 7.97 4.14 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 0.00 0.00 0.00 42 Y 8.48 5.34 0.00 2.93 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 43 S 8.59 4.68 0.00 3.65 3.58 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 44 V 8.29 3.87 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 0.67 0.00 0.00 0.92 0.00 0.00 45 V 8.68 4.20 1.73 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 -0.12 0.00 0.00 0.76 0.00 0.00 46 T 8.37 4.66 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 1.04 0.00 0.00 47 F 9.05 4.93 0.00 2.79 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 48 R 8.74 4.86 0.00 1.81 1.76 0.00 2.91 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 49 V 8.82 4.68 2.24 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 0.88 0.00 0.00 0.87 0.00 0.00 50 P 0.00 4.34 0.00 1.89 1.67 0.00 3.62 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 2.07 2.04 0.00 51 T 8.37 4.30 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 1.46 0.00 0.00 52 E 9.44 4.87 0.00 2.18 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 2.32 2.35 0.00 53 S 7.40 4.62 0.00 3.52 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 54 E 8.71 4.39 0.00 2.00 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 2.29 2.29 0.00 55 T 7.81 4.40 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 1.22 0.00 0.00 56 A 8.36 4.80 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 57 A 8.86 5.03 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.61 4.31 4.31 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 1.28 0.00 0.00 59 T 9.21 4.59 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 1.24 0.00 0.00 60 A 7.74 5.38 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 61 M 9.27 5.00 0.00 1.21 1.07 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.73 0.00 62 T 9.06 5.03 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 1.18 0.00 0.00 63 V 8.82 4.72 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 0.67 0.00 0.00 0.47 0.00 0.00 64 T 9.11 4.70 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 1.27 0.00 0.00 65 L 8.53 5.15 0.00 1.72 1.70 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.45 0.00 2.14 1.96 0.00 4.15 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 2.04 1.92 0.00 67 N 7.75 4.25 0.00 2.85 3.04 0.00 0.00 7.21 7.68 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 68 V 7.41 4.15 2.34 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 0.84 0.00 0.00 1.08 0.00 0.00 69 R 8.78 4.07 0.00 1.74 2.02 0.00 3.32 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 70 S 8.57 4.92 0.00 3.95 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 71 A 8.36 4.99 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 72 R 9.13 4.75 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 73 T 8.93 5.12 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 74 E 8.61 4.86 0.00 2.01 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 2.33 0.00 75 P 0.00 4.29 0.00 2.10 2.09 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 76 M 8.48 4.59 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 77 P 0.00 4.48 0.00 2.15 2.05 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 78 G 9.40 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 79 W 8.29 5.46 0.00 3.39 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.36 4.88 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 1.25 0.00 0.00 81 A 8.75 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.70 4.57 0.00 1.77 1.94 0.00 2.69 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 83 V 8.23 4.60 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 0.80 0.00 0.00 0.79 0.00 0.00 84 D 8.79 4.81 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 5.20 0.00 1.63 1.78 0.00 3.44 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 86 N 8.57 4.90 0.00 2.93 2.98 0.00 0.00 6.96 7.69 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 87 D 8.59 4.29 0.00 2.79 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 88 K 8.14 4.23 0.00 1.88 1.88 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 89 S 8.25 4.02 0.00 4.04 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 0.00 90 E 8.24 4.38 0.00 2.18 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 2.32 2.26 0.00 91 A 9.06 4.64 1.24 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 0.00 0.00 92 V 8.74 4.24 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 0.76 0.00 0.00 0.97 0.00 0.00 93 S 7.53 5.14 0.00 3.92 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 94 V 8.48 4.73 1.79 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 0.66 0.00 0.00 -0.15 0.00 0.00 95 T 8.64 4.99 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 1.24 0.00 0.00 96 W 9.38 5.40 0.00 3.29 3.30 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 0.00 0.00 0.00 0.00 97 T 9.41 5.31 4.35 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 1.24 0.00 0.00 98 A 8.78 3.39 0.33 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 99 D 8.78 4.45 0.00 2.51 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 0.00 100 P 0.00 4.38 0.00 2.00 1.97 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 101 G 8.90 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 0.00 102 N 7.65 4.41 0.00 2.53 2.64 0.00 0.00 7.24 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 0.00 103 P 0.00 4.24 0.00 2.21 2.14 0.00 3.83 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 1.95 0.00 104 G 8.03 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 0.00 105 V 8.57 3.97 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 0.98 0.00 0.00 1.19 0.00 0.00 106 Q 8.59 4.50 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 107 P 0.00 4.33 0.00 2.06 2.30 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 108 G 8.66 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 0.00 0.00 0.00 109 Q 7.93 4.79 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 110 F 8.79 5.27 0.00 2.79 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 0.00 111 Q 8.78 4.38 0.00 1.95 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 112 R 8.08 4.71 0.00 1.43 1.58 0.00 3.05 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 113 F 8.82 3.93 0.00 2.12 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 0.00 114 V 8.15 4.99 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 1.06 0.00 0.00 0.78 0.00 0.00 115 V 8.93 4.85 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 1.11 0.00 0.00 1.02 0.00 0.00 116 S 9.40 5.04 0.00 3.86 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 0.00 117 I 8.26 5.09 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.94 0.00 0.00 118 G 8.18 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 5.19 0.00 2.13 2.11 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 120 L 9.13 4.34 0.00 1.78 1.68 0.97 1.18 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 0.00 121 P 0.00 4.56 0.00 2.06 1.96 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 122 S 8.30 4.93 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 0.00 123 A 7.52 4.75 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 0.00 124 E 8.79 4.24 0.00 1.98 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 2.40 2.41 0.00 125 T 7.77 5.29 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 1.29 0.00 0.00 126 V 8.71 4.42 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 0.91 0.00 0.00 0.47 0.00 0.00 127 S 8.41 5.08 0.00 3.68 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 0.00 128 F 8.89 5.07 0.00 3.04 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 0.00 129 P 0.00 4.69 0.00 2.11 2.04 0.00 3.56 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 2.13 2.14 0.00 130 A 9.23 5.21 1.17 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 0.00 0.00 0.00 131 E 9.36 5.14 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 2.25 2.39 0.00 132 Q 9.48 4.64 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 133 T 8.86 5.08 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 1.27 0.00 0.00 134 Y 9.05 5.23 0.00 3.04 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 0.00 135 S 9.20 4.18 0.00 3.98 4.06 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 0.00 136 D 8.18 4.60 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 0.00 137 G 8.29 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.24 4.22 0.00 1.82 1.81 0.00 2.94 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 139 V 8.22 4.93 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 0.93 0.00 0.00 0.98 0.00 0.00 140 V 9.14 4.17 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 0.22 0.00 0.00 0.95 0.00 0.00 141 A 8.20 4.88 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 0.00 142 W 9.43 4.88 0.00 3.25 3.35 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 0.00 143 N 8.10 5.20 0.00 2.69 2.87 0.00 0.00 6.38 7.39 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 0.00 144 Q 8.43 4.50 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 145 P 0.00 4.85 0.00 2.19 2.08 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 146 P 0.00 4.44 0.00 2.09 2.06 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 147 A 8.34 4.18 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 0.00 148 A 8.09 4.47 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 *151 S 7.79 4.30 0.00 4.03 3.85 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 0.00 152 E 8.26 4.84 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 153 P 0.00 4.44 0.00 2.32 2.06 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 154 E 8.70 4.28 0.00 1.91 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 2.30 2.32 0.00 155 H 8.52 4.99 0.00 2.85 2.86 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 5.03 0.00 2.16 2.11 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 157 A 8.81 4.50 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 0.00 158 P 0.00 4.52 0.00 2.37 2.14 0.00 4.15 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.06 0.00 159 T 8.57 5.32 4.31 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 1.28 0.00 0.00 160 L 9.12 4.94 0.00 1.69 1.60 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.51 4.89 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 1.22 0.00 0.00 162 L 8.62 4.80 0.00 1.67 1.67 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.45 4.21 1.24 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 0.00 0.00 164 T 8.35 4.00 4.25 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.