NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2391 8.2985 120.2473 56.2819 30.7183 176.1397 2 A 4.0711 8.5508 125.9147 53.0197 18.8399 176.3053 3 A 4.1460 7.9059 118.3198 53.5541 20.7914 175.7843 4 V 4.6369 7.5293 115.8671 61.8521 32.5563 175.5781 5 T 4.7060 9.0657 119.1597 60.0791 71.2110 173.1888 6 Q 5.3236 8.8456 124.5957 54.4977 31.6959 175.0173 7 S 4.6912 8.9614 115.9569 56.5761 66.1063 172.3701 8 P 4.9751 0.0000 0.0000 61.7037 33.5891 174.8112 9 R 4.4644 8.3990 116.7242 58.3517 31.3875 176.1904 10 N 5.5274 8.0117 114.9363 51.2771 42.3820 174.0802 11 K 4.6340 9.2929 124.2884 54.6935 36.1800 174.7574 12 V 4.9874 8.5341 125.9325 61.0651 33.8882 174.2825 13 A 4.9942 9.1175 128.6742 50.2370 22.8003 175.3844 14 V 4.4885 8.2563 112.6357 60.0573 34.1309 176.2957 15 T 4.1113 8.0532 120.2903 65.5020 68.6630 175.0178 16 G 4.3397 9.5769 115.1219 44.5432 0.0000 173.1149 17 E 3.9062 8.0264 120.6890 56.6772 30.8292 176.0782 18 K 4.8768 8.4879 127.3255 54.8913 33.0429 175.5393 19 V 4.3390 8.5663 128.4305 61.3822 34.0396 174.5976 20 T 4.8194 8.2096 123.0542 61.7534 71.3688 173.2302 21 L 4.3285 8.5265 127.8775 53.8585 43.4678 176.1835 22 S 5.3181 8.7959 119.1974 56.9399 66.0121 172.3380 23 C 5.6127 9.0288 123.3009 54.8723 45.6540 172.1036 24 N 5.7853 9.1236 123.3172 51.8858 42.2261 172.9143 25 Q 5.6387 9.2046 123.4123 53.3436 31.4754 175.2209 26 T 4.6270 8.4695 115.5390 61.7819 68.9056 175.1712 27 N 4.3835 8.5032 119.1817 53.8404 39.3740 174.9221 28 N 4.2147 7.9737 115.1076 54.8129 37.2656 173.2012 29 H 4.9287 8.0111 111.8898 54.4969 30.4595 175.4528 30 N 4.5617 8.6682 119.4428 55.4301 39.5356 175.0693 31 N 5.5952 7.7707 115.9771 52.0382 40.2454 174.6997 32 M 5.2513 7.7499 121.3477 53.9242 36.8508 173.7229 33 Y 5.6297 9.5837 118.5289 56.3991 43.5857 174.4025 34 W 5.5205 9.5307 119.9701 55.7037 32.6778 174.4834 35 Y 5.4751 10.2177 123.2855 56.1887 41.4318 175.0076 36 R 5.0886 9.0750 116.3371 54.6356 33.3358 173.9713 37 Q 4.9565 9.3112 122.8468 53.9763 32.4772 174.9702 38 D 5.1621 8.4798 127.2480 52.9221 39.9484 176.2159 39 T 4.2642 8.4785 104.8274 63.4465 70.3827 173.7863 40 G 3.9598 8.4543 108.7903 46.6857 0.0000 174.4531 41 H 4.7889 7.3260 117.5251 54.5092 29.0651 174.1832 42 E 3.9895 8.8960 125.1643 58.2192 29.9445 177.3608 43 L 4.8657 8.4358 125.8091 53.7985 43.4817 176.0340 44 R 4.8444 9.2203 122.3046 53.9511 33.5805 174.9854 45 L 3.7842 8.5340 125.7807 55.6563 42.9720 176.2633 46 I 4.1179 9.1103 127.0306 62.8710 38.9505 175.0767 47 Y 5.3438 7.8323 117.9046 56.9832 42.8686 173.0673 48 Y 5.5302 9.0472 119.5733 56.2694 42.7173 173.4874 49 S 4.4283 8.1055 112.6743 57.3059 65.5001 174.5854 50 Y 4.5551 8.1334 123.5660 57.9307 38.3051 175.5375 51 G 4.2130 7.2266 108.2405 43.5621 0.0000 171.2631 52 A 4.1439 8.0367 122.0368 54.1432 18.3365 178.3631 53 G 3.9659 9.0446 110.8964 45.1201 0.0000 173.2378 54 S 4.7507 7.7795 114.5933 57.2744 63.9564 174.0854 55 T 4.5649 8.3682 122.8037 62.5861 71.5353 172.6796 56 E 4.5676 8.9721 127.1043 53.7851 32.3932 176.2772 57 K 2.9511 8.5428 123.9057 55.4322 32.6418 177.2622 58 G 4.2276 8.5018 116.2677 47.0206 0.0000 175.5694 59 D 4.8155 9.1313 123.4046 54.4562 41.7627 176.7728 60 I 4.6903 7.1028 110.2099 58.8547 37.1027 173.4779 61 P 4.5622 0.0000 0.0000 64.4432 32.3883 177.1354 62 D 4.3389 8.0074 120.4067 56.0599 41.1832 176.6030 63 G 3.6361 8.7579 112.6395 45.5335 0.0000 172.0154 *65 Y 5.2775 7.2420 115.5271 57.9687 39.3705 174.3535 66 K 4.5812 8.8227 121.8104 54.6541 36.1484 174.6813 67 A 4.8484 7.6812 125.3436 50.3329 23.0133 175.3307 68 S 4.3980 8.4973 112.6474 57.1328 66.1815 173.6537 69 R 5.5537 8.7575 127.9502 52.9454 28.7023 173.8278 70 P 4.2765 0.0000 0.0000 64.9322 31.9848 176.8188 71 S 4.5954 7.4692 110.2261 56.7460 65.8986 172.7063 72 Q 4.0287 8.9177 120.4049 59.6021 28.9837 177.4038 73 E 4.4564 8.1199 113.2673 56.1164 29.9517 174.3764 74 N 5.9380 7.8488 117.4789 50.7511 41.9366 173.1698 75 F 5.7266 8.9977 125.4326 56.6184 43.0198 173.1150 76 S 5.1196 9.1193 121.0904 56.4363 65.9137 172.5884 77 L 4.4204 7.7832 125.0436 53.5024 43.9943 174.9458 78 T 4.8438 8.6725 122.6956 61.7247 71.7899 173.1137 79 L 4.6235 8.9380 127.5980 53.2770 41.9801 176.7833 80 E 3.7856 8.7158 126.6831 59.0355 31.0642 175.9878 81 S 4.9301 8.0693 114.7189 55.5590 64.6670 172.3162 82 A 4.3965 8.9281 128.5854 52.0636 19.3534 176.0702 83 T 4.7946 8.4052 114.8821 59.6289 70.8931 172.8879 84 P 4.1694 0.0000 0.0000 65.5400 31.5685 178.4085 85 S 4.2870 7.6099 110.6296 60.3917 62.9208 174.9012 86 Q 4.4771 8.6609 120.0506 56.1702 29.0350 175.2339 87 T 4.2585 7.8035 114.6067 62.1323 67.8940 173.1729 88 S 4.5346 8.3467 122.1683 58.3956 67.4681 174.4993 89 V 4.6643 7.9243 121.3082 61.4868 33.0665 174.0090 90 Y 5.1331 8.9923 126.2755 56.5855 40.0000 174.6627 91 F 5.5613 9.6417 122.8796 55.9344 42.5891 173.4765 92 C 5.0285 9.4025 122.3349 54.8415 42.8873 172.2991 93 A 5.2087 8.6411 124.8419 50.4827 22.7428 175.0486 94 S 5.2582 8.6687 113.3164 56.9725 67.1407 173.1656 95 G 4.2410 8.9554 104.4455 45.3400 0.0000 174.3435 96 G 4.1994 8.7262 111.8281 44.7102 0.0000 174.0882 97 G 3.9246 8.1941 107.1261 46.9578 0.0000 173.0885 98 G 3.8301 8.0432 112.8145 46.1342 0.0000 176.6384 *105 T 3.8784 8.4351 118.0371 62.8495 69.2503 172.4384 106 L 4.5936 7.9297 124.6087 53.0376 44.1343 175.2380 107 Y 4.7301 8.7571 121.6169 56.3691 40.1090 175.1989 108 F 5.1413 9.1427 123.1029 56.3225 40.6561 175.9157 109 G 4.1462 9.1320 109.3832 45.0093 0.0000 174.7180 110 A 4.3202 8.7338 122.1686 53.5895 18.5585 178.6587 111 G 3.7351 8.2496 102.1605 45.3244 0.0000 173.5210 112 T 4.6485 8.4000 115.6788 61.5199 72.2719 173.3434 113 R 4.4815 9.0962 129.2394 55.5981 31.4531 174.8019 114 L 5.2745 8.9367 128.7896 53.4234 45.0196 175.1507 115 S 5.0856 8.9888 121.8008 56.6493 66.6125 173.3230 116 V 4.7936 8.3299 122.9877 61.1007 32.9774 174.6121 117 L 4.4586 8.7719 131.5649 54.2118 43.6283 176.9919 118 S 5.0701 8.4437 118.0674 58.0616 63.2951 173.9011 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 1 E 8.30 4.24 0.00 2.07 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 0.00 1.91 1.47 0.00 2 A 8.55 4.07 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 3 A 7.91 4.15 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 4 V 7.53 4.64 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 0.87 0.00 0.00 1.00 0.00 0.00 5 T 9.07 4.71 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 1.23 0.00 0.00 6 Q 8.85 5.32 0.00 2.07 2.27 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 2.29 2.41 0.00 7 S 8.96 4.69 0.00 3.90 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 8 P 0.00 4.98 0.00 2.22 2.08 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 9 R 8.40 4.46 0.00 2.00 1.98 0.00 3.38 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 10 N 8.01 5.53 0.00 2.59 2.66 0.00 0.00 6.58 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 11 K 9.29 4.63 0.00 1.78 1.55 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.38 7.81 12 V 8.53 4.99 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.12 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.26 4.49 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 0.70 0.00 0.00 0.98 0.00 0.00 15 T 8.05 4.11 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 1.23 0.00 0.00 16 G 9.58 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 0.00 0.00 0.00 0.00 17 E 8.03 3.91 0.00 2.13 1.84 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 2.26 2.24 0.00 18 K 8.49 4.88 0.00 1.75 1.66 0.00 1.57 0.00 0.00 2.24 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.57 4.34 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 0.75 0.00 0.00 0.89 0.00 0.00 20 T 8.21 4.82 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 1.11 0.00 0.00 21 L 8.53 4.33 0.00 0.51 1.22 -0.08 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.80 5.32 0.00 3.84 3.82 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 23 C 9.03 5.61 0.00 2.89 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 24 N 9.12 5.79 0.00 2.98 2.61 0.00 0.00 6.56 6.60 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 25 Q 9.20 5.64 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.23 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 26 T 8.47 4.63 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 1.20 0.00 0.00 27 N 8.50 4.38 0.00 2.61 2.17 0.00 0.00 7.11 8.00 0.00 0.00 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 N 7.97 4.21 0.00 2.81 2.88 0.00 0.00 7.01 7.89 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 29 H 8.01 4.93 0.00 3.36 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.67 4.56 0.00 2.81 3.10 0.00 0.00 6.98 6.92 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 31 N 7.77 5.60 0.00 2.78 2.38 0.00 0.00 6.44 7.78 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 32 M 7.75 5.25 0.00 1.86 1.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 33 Y 9.58 5.63 0.00 2.98 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 34 W 9.53 5.52 0.00 3.48 3.10 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 35 Y 10.22 5.48 0.00 3.19 3.05 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 36 R 9.07 5.09 0.00 1.33 1.49 0.00 2.64 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 37 Q 9.31 4.96 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 38 D 8.48 5.16 0.00 2.77 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 39 T 8.48 4.26 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 1.23 0.00 0.00 40 G 8.45 3.96 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 0.00 41 H 7.33 4.79 0.00 3.24 3.17 0.00 5.88 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 42 E 8.90 3.99 0.00 2.00 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 2.35 2.39 0.00 43 L 8.44 4.87 0.00 1.47 1.71 0.62 0.35 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 44 R 9.22 4.84 0.00 1.73 1.84 0.00 3.16 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 45 L 8.53 3.78 0.00 1.31 1.39 0.63 0.94 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 46 I 9.11 4.12 2.00 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 1.05 0.79 0.58 0.00 0.00 47 Y 7.83 5.34 0.00 2.92 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 48 Y 9.05 5.53 0.00 2.53 2.94 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 49 S 8.11 4.43 0.00 3.10 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 50 Y 8.13 4.56 0.00 3.01 2.90 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 51 G 7.23 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 0.00 0.00 0.00 0.00 52 A 8.04 4.14 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 53 G 9.04 3.97 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 0.00 0.00 0.00 54 S 7.78 4.75 0.00 3.95 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 55 T 8.37 4.56 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 1.31 0.00 0.00 56 E 8.97 4.57 0.00 1.16 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 0.00 0.00 0.00 1.68 1.72 0.00 57 K 8.54 2.95 0.00 1.45 1.42 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.04 1.36 7.81 58 G 8.50 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 0.00 0.00 0.00 0.00 59 D 9.13 4.82 0.00 2.60 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 60 I 7.10 4.69 1.97 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 1.66 0.69 0.95 0.00 0.00 61 P 0.00 4.56 0.00 2.06 1.85 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 62 D 8.01 4.34 0.00 2.71 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 63 G 8.76 3.64 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 0.00 0.00 0.00 *65 Y 7.24 5.28 0.00 3.34 2.99 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 66 K 8.82 4.58 0.00 1.73 1.46 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.29 7.81 67 A 7.68 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.50 4.40 0.00 3.87 3.64 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 69 R 8.76 5.55 0.00 2.05 1.83 0.00 3.65 0.00 0.00 2.97 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 70 P 0.00 4.28 0.00 2.24 2.20 0.00 4.17 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 71 S 7.47 4.60 0.00 3.94 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 72 Q 8.92 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.12 4.46 0.00 2.28 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 0.00 2.33 2.34 0.00 74 N 7.85 5.94 0.00 2.82 2.81 0.00 0.00 6.52 8.01 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 75 F 9.00 5.73 0.00 2.98 2.93 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 76 S 9.12 5.12 0.00 3.94 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 77 L 7.78 4.42 0.00 0.27 0.13 0.66 -0.14 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 78 T 8.67 4.84 4.09 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 1.16 0.00 0.00 79 L 8.94 4.62 0.00 1.45 1.47 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.72 3.79 0.00 2.02 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 2.34 2.33 0.00 81 S 8.07 4.93 0.00 3.83 3.61 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 0.00 0.00 0.00 0.00 82 A 8.93 4.40 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 83 T 8.41 4.79 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 1.17 0.00 0.00 84 P 0.00 4.17 0.00 2.22 2.12 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 S 7.61 4.29 0.00 4.03 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 86 Q 8.66 4.48 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 87 T 7.80 4.26 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 1.27 0.00 0.00 88 S 8.35 4.53 0.00 3.85 3.38 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 89 V 7.92 4.66 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 0.60 0.00 0.00 0.94 0.00 0.00 90 Y 8.99 5.13 0.00 3.05 3.17 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 91 F 9.64 5.56 0.00 3.29 3.22 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 92 C 9.40 5.03 0.00 1.23 2.45 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 93 A 8.64 5.21 0.25 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 0.00 0.00 0.00 94 S 8.67 5.26 0.00 3.99 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 95 G 8.96 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 0.00 0.00 0.00 0.00 96 G 8.73 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 0.00 0.00 0.00 97 G 8.19 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 0.00 0.00 0.00 98 G 8.04 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 *105 T 8.44 3.88 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 0.31 0.00 0.00 106 L 7.93 4.59 0.00 1.18 1.08 0.61 -0.03 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 0.00 107 Y 8.76 4.73 0.00 2.83 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 0.00 108 F 9.14 5.14 0.00 2.79 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 0.00 109 G 9.13 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 0.00 110 A 8.73 4.32 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 0.00 111 G 8.25 3.74 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 0.00 0.00 0.00 112 T 8.40 4.65 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 1.27 0.00 0.00 113 R 9.10 4.48 0.00 1.88 1.99 0.00 3.20 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 114 L 8.94 5.27 0.00 1.81 1.69 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.99 5.09 0.00 3.81 3.72 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 0.00 116 V 8.33 4.79 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 0.79 0.00 0.00 1.00 0.00 0.00 117 L 8.77 4.46 0.00 1.81 1.50 0.92 0.84 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 0.00 118 S 8.44 5.07 0.00 4.01 3.82 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 * Residues marked with a * may have inaccurate shift predictions.