NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5309 8.3049 120.3349 54.6285 33.4536 175.0014 2 K 4.5505 8.4711 119.2727 56.1206 32.8718 175.2102 3 T 5.1202 9.3315 118.1824 61.8164 73.4227 172.2333 4 L 5.1625 9.2566 127.8153 53.6654 44.6257 174.6722 5 M 5.2306 9.2417 126.1971 53.5657 35.0650 174.8073 6 V 4.6365 8.8499 123.8380 61.2460 34.3752 174.2887 7 F 5.1564 9.2816 128.0984 56.0352 40.0741 174.9240 8 D 5.2665 9.5548 125.3612 52.7643 42.2108 174.7776 9 P 4.5845 0.0000 0.0000 62.9488 31.9212 175.6181 10 A 3.9903 8.6157 122.2024 52.7269 18.4146 177.5927 11 M 3.7111 8.6872 117.5021 54.2452 33.5097 174.6088 *23 D 4.3944 8.2695 117.3489 53.1699 41.0748 175.9659 24 Q 3.9346 8.8888 122.4497 59.5705 28.8969 178.6064 25 A 4.0100 8.1683 121.0179 55.6883 18.2649 179.4401 26 L 3.7909 8.4934 117.1870 57.2169 41.7009 179.7353 27 V 3.5091 7.5609 117.9920 66.0291 31.5966 177.2673 28 D 4.4170 8.6328 118.8526 57.6080 40.7262 178.9212 29 F 4.2368 8.1749 120.6838 61.3926 39.4789 176.9860 30 S 3.8565 8.0367 112.6827 61.5943 62.0809 176.1009 31 T 3.8576 7.9780 118.3753 67.0323 68.2207 176.3338 32 D 4.5338 8.4284 120.9070 57.2057 40.7093 179.0294 33 V 3.4594 7.8516 119.4492 65.5720 31.5266 178.0721 34 Q 3.8448 7.7964 117.5496 58.8214 28.3693 178.8198 35 W 4.0770 7.6402 117.9864 59.7124 29.4090 178.4291 36 L 4.1472 7.8609 118.3948 57.8025 41.1792 179.5655 37 K 3.9987 8.2606 118.7995 59.6927 31.7957 179.3149 38 Q 4.3214 7.7419 116.3336 57.9827 28.7052 177.3687 39 C 4.4546 7.5364 113.6141 58.6341 30.0364 174.2452 40 G 3.9226 8.4032 110.2534 45.4223 0.0000 174.3197 41 V 3.7312 7.0684 112.2139 60.5501 32.7551 175.3165 42 Q 4.5426 8.1553 120.0626 54.5831 30.4534 174.7712 43 I 5.1405 8.2988 124.7963 59.4347 40.2883 175.0866 44 E 4.5853 9.5323 125.8933 54.4704 33.1042 174.9951 45 R 4.9229 8.0140 121.9155 54.3349 33.4347 175.2544 46 F 5.1374 9.3107 120.5449 55.8491 43.5187 173.1290 47 N 5.7809 9.1940 121.0058 50.7553 41.1641 175.1988 48 L 3.5297 8.7062 125.0442 57.7852 41.8038 178.7436 49 A 4.0958 8.3350 120.8751 54.8057 18.5798 178.1723 50 Q 4.4956 9.2884 113.4159 56.5924 29.9928 176.0013 51 Q 4.8649 8.5808 117.5639 53.8885 29.9514 175.0211 52 P 4.3391 0.0000 0.0000 66.5235 31.8562 178.7177 53 M 4.1857 8.2170 118.0918 58.1432 32.0021 178.3502 54 S 4.2043 7.9955 114.4081 61.9210 62.7386 176.7251 55 F 4.1289 8.4262 118.7652 59.5222 38.8016 177.3948 56 V 3.9740 7.6693 116.5932 65.1766 31.8598 177.3967 57 Q 4.2079 8.4644 116.8991 56.3779 28.9061 175.3840 58 N 4.6385 7.1410 118.7864 51.9814 40.0667 175.3081 59 E 3.9013 8.7731 125.7350 59.4625 29.6891 179.3149 60 K 3.8750 7.9311 117.9851 59.3590 32.1497 179.3766 61 V 3.2294 7.7322 118.2650 65.6831 31.4031 177.6143 62 K 3.8158 8.0779 119.3970 59.8846 31.9374 178.4948 63 A 4.0181 8.0102 120.6852 54.9026 18.2734 179.2864 64 F 4.0185 8.7977 119.6945 61.6389 39.3982 177.5157 65 I 3.8552 8.0589 119.4205 64.2550 36.6744 178.2427 66 E 3.9017 8.1271 118.6020 59.2026 29.3183 178.9623 67 A 4.0339 7.7870 120.0049 54.5693 18.7897 178.7543 68 S 4.2025 8.3317 110.7889 56.6970 63.3256 175.3072 69 G 3.9532 7.4317 105.4248 45.1023 0.0000 174.2684 70 A 4.1022 8.3208 121.8059 54.8197 18.5469 179.5858 71 E 4.2303 8.1593 113.8584 58.2428 29.7732 177.9757 72 G 3.9583 8.2625 107.8039 46.3384 0.0000 173.8674 73 L 4.6288 7.6993 120.0416 53.6011 42.7196 175.2276 74 P 4.6891 0.0000 0.0000 62.7855 32.9994 174.5945 75 L 4.7205 8.5576 123.6047 53.2416 44.4975 174.7643 76 L 5.2174 8.8201 126.5806 52.9965 44.2984 175.2440 77 L 4.8838 8.9528 123.9352 52.6908 44.9321 175.0839 78 L 4.7351 8.8228 126.3948 53.2851 43.7202 176.1245 79 D 4.5507 9.9468 129.1852 55.4584 38.9294 175.7628 80 G 4.0066 8.4111 105.9185 45.2154 0.0000 173.3466 81 E 4.5217 7.6576 119.9431 54.1877 31.2943 175.6777 82 T 4.1486 8.3965 120.1190 64.3496 68.7820 174.2804 83 V 4.1236 7.8439 118.0320 60.9690 33.8638 175.4436 84 M 4.4200 7.4482 116.0529 54.9111 34.7192 173.1721 85 A 4.7190 8.6591 126.7136 52.5914 22.0701 176.7068 86 G 4.0578 10.6132 113.1464 45.2617 0.0000 172.7077 87 R 4.3847 7.0437 113.5825 55.8722 31.9244 173.2848 88 Y 4.4006 8.2042 115.5999 55.6939 39.5182 174.1045 89 P 4.7570 0.0000 0.0000 61.9083 32.8573 176.9038 90 K 4.2318 8.8933 120.0158 56.1927 33.8703 178.4517 91 R 3.8687 8.5221 120.7429 59.7250 30.0101 178.7597 92 A 3.8955 7.8457 119.9540 54.8130 18.3176 179.4502 93 E 3.5219 7.6990 116.8614 59.2901 29.6268 178.8004 94 L 3.7656 7.4249 118.7861 57.9751 41.7348 179.5371 95 A 4.0652 8.1507 120.4499 55.2686 18.4210 179.6103 96 R 3.8434 7.9436 117.0699 59.5095 29.9426 178.7831 97 W 4.4722 7.9353 117.5739 59.2186 29.1015 177.4899 98 F 4.9206 8.1871 114.9820 56.0777 38.8634 175.7678 99 G 4.1246 7.7573 106.0213 46.4453 0.0000 173.4239 100 I 4.4093 7.7689 119.4076 58.4489 38.8682 174.6333 101 P 4.4237 0.0000 0.0000 62.2949 32.2713 177.0952 102 L 3.8824 8.8279 122.3789 58.2152 41.5180 179.1693 103 D 4.6291 7.9995 113.9307 54.5993 39.3973 176.6476 104 K 4.4152 7.7710 118.9082 57.2737 32.7574 177.3114 105 V 4.5547 7.2384 111.8884 61.0182 32.4627 175.8493 106 G 2.8036 8.0984 104.9538 45.8084 0.0000 174.0632 107 L 4.5456 7.5353 117.6501 52.3258 44.6918 176.7023 108 A 4.2680 8.2955 122.5477 52.3538 19.1984 176.7471 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 M 8.30 4.53 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 K 8.47 4.55 0.00 2.05 1.75 0.00 1.78 0.00 0.00 2.23 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.70 1.54 7.81 3 T 9.33 5.12 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 1.37 0.00 0.00 4 L 9.26 5.16 0.00 2.03 1.92 0.88 1.22 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 5 M 9.24 5.23 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 6 V 8.85 4.64 2.21 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 1.22 0.00 0.00 1.25 0.00 0.00 7 F 9.28 5.16 0.00 2.94 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 8 D 9.55 5.27 0.00 2.89 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 9 P 0.00 4.58 0.00 2.16 2.16 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 10 A 8.62 3.99 1.25 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 11 M 8.69 3.71 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 *23 D 8.27 4.39 0.00 2.97 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 24 Q 8.89 3.93 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 25 A 8.17 4.01 1.40 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 26 L 8.49 3.79 0.00 1.76 1.66 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.56 3.51 2.21 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 1.07 0.00 0.00 0.96 0.00 0.00 28 D 8.63 4.42 0.00 2.94 2.77 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 0.00 0.00 0.00 29 F 8.17 4.24 0.00 2.88 2.77 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 0.00 0.00 0.00 30 S 8.04 3.86 0.00 3.95 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 31 T 7.98 3.86 4.48 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 1.38 0.00 0.00 32 D 8.43 4.53 0.00 2.71 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 33 V 7.85 3.46 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 0.93 0.00 0.00 0.08 0.00 0.00 34 Q 7.80 3.84 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 35 W 7.64 4.08 0.00 3.34 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 36 L 7.86 4.15 0.00 1.73 1.59 0.97 1.15 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 37 K 8.26 4.00 0.00 1.74 1.77 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 38 Q 7.74 4.32 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 39 C 7.54 4.45 0.00 3.16 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 40 G 8.40 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 41 V 7.07 3.73 0.67 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 0.34 0.00 0.00 0.24 0.00 0.00 42 Q 8.16 4.54 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 43 I 8.30 5.14 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.57 0.97 0.00 0.00 44 E 9.53 4.59 0.00 1.80 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 2.20 2.43 0.00 45 R 8.01 4.92 0.00 1.50 1.95 0.00 3.20 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 46 F 9.31 5.14 0.00 2.50 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 47 N 9.19 5.78 0.00 2.90 2.74 0.00 0.00 7.08 6.28 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 48 L 8.71 3.53 0.00 1.31 1.47 0.74 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.33 4.10 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 50 Q 9.29 4.50 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.33 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 51 Q 8.58 4.86 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.72 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 52 P 0.00 4.34 0.00 2.24 2.46 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 53 M 8.22 4.19 0.00 2.28 2.22 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 2.73 2.62 0.00 54 S 8.00 4.20 0.00 4.17 3.54 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 55 F 8.43 4.13 0.00 3.24 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 56 V 7.67 3.97 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 0.90 0.00 0.00 0.98 0.00 0.00 57 Q 8.46 4.21 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 58 N 7.14 4.64 0.00 2.59 2.25 0.00 0.00 7.03 7.53 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 59 E 8.77 3.90 0.00 1.96 1.94 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 2.36 2.31 0.00 60 K 7.93 3.87 0.00 1.78 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 V 7.73 3.23 1.53 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 0.49 0.00 0.00 -0.77 0.00 0.00 62 K 8.08 3.82 0.00 1.94 1.99 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 A 8.01 4.02 1.36 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 0.00 0.00 64 F 8.80 4.02 0.00 3.11 3.20 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 65 I 8.06 3.86 2.18 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.75 0.94 0.00 0.00 66 E 8.13 3.90 0.00 2.07 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 2.32 2.46 0.00 67 A 7.79 4.03 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 68 S 8.33 4.20 0.00 2.73 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 69 G 7.43 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 0.00 0.00 0.00 70 A 8.32 4.10 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 71 E 8.16 4.23 0.00 1.95 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 2.32 2.38 0.00 72 G 8.26 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 73 L 7.70 4.63 0.00 1.80 1.73 1.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.69 0.00 1.57 1.54 0.00 3.41 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.44 0.00 75 L 8.56 4.72 0.00 0.94 1.31 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.82 5.22 0.00 1.59 1.56 0.84 0.56 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 77 L 8.95 4.88 0.00 1.60 1.49 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.82 4.74 0.00 1.13 1.10 0.45 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 D 9.95 4.55 0.00 2.78 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 80 G 8.41 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 81 E 7.66 4.52 0.00 2.03 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 2.16 2.31 0.00 82 T 8.40 4.15 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 1.13 0.00 0.00 83 V 7.84 4.12 0.91 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 0.05 0.00 0.00 -0.19 0.00 0.00 84 M 7.45 4.42 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 85 A 8.66 4.72 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 86 G 10.61 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 0.00 0.00 0.00 87 R 7.04 4.38 0.00 1.91 1.91 0.00 3.06 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 88 Y 8.20 4.40 0.00 2.83 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 1.85 1.86 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 90 K 8.89 4.23 0.00 1.95 1.72 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.47 7.81 91 R 8.52 3.87 0.00 2.11 1.82 0.00 2.89 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 92 A 7.85 3.90 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 93 E 7.70 3.52 0.00 1.75 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 2.22 2.24 0.00 94 L 7.42 3.77 0.00 1.92 1.92 1.03 1.11 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 95 A 8.15 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.94 3.84 0.00 1.86 1.94 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 97 W 7.94 4.47 0.00 3.39 2.79 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 98 F 8.19 4.92 0.00 3.28 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 99 G 7.76 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.77 4.41 1.94 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 1.56 0.95 0.94 0.00 0.00 101 P 0.00 4.42 0.00 2.32 1.97 0.00 3.64 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 2.12 2.12 0.00 102 L 8.83 3.88 0.00 1.65 1.81 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.00 4.63 0.00 2.76 2.76 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 0.00 104 K 7.77 4.42 0.00 1.91 1.93 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.55 7.81 105 V 7.24 4.55 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 0.79 0.00 0.00 0.89 0.00 0.00 106 G 8.10 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 0.00 0.00 0.00 107 L 7.54 4.55 0.00 1.46 1.40 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.30 4.27 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.