NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3410 8.2649 123.5888 52.1338 19.6326 176.2616 5 L 4.2011 8.3781 114.8768 53.7816 42.8522 174.8959 6 A 4.2804 9.2435 123.4612 52.5648 20.4641 176.0495 7 D 5.4819 8.6525 120.2624 53.1974 42.9862 176.5172 8 V 4.5836 8.6271 120.5523 60.1666 35.3582 174.0594 9 C 4.7885 8.7936 121.4089 56.5646 35.4676 174.4640 10 R 3.7744 8.6702 125.2958 59.7498 29.6965 178.5621 11 T 4.0435 7.7815 105.8593 63.4140 68.8839 175.1956 12 K 4.1637 7.6456 120.8121 57.4586 32.6340 177.2480 13 L 3.8904 7.1207 118.3493 53.0873 42.3549 175.0424 14 P 4.2400 0.0000 0.0000 62.8321 32.1055 177.5283 15 S 4.0678 8.8748 116.6764 62.3634 62.4423 177.2002 16 Q 4.2900 8.2783 121.7643 57.8017 28.4630 178.3158 17 A 4.0533 7.7958 122.1420 55.1840 18.3537 179.6817 18 Q 3.8900 7.8882 116.1117 59.0427 28.7146 178.3826 19 D 4.3851 8.2235 119.9568 57.8323 40.7866 179.1124 20 T 4.0658 7.9473 115.9363 66.7343 68.5044 176.4496 21 L 3.9529 8.1543 120.6981 57.9993 41.6835 179.6406 22 A 4.0091 8.0847 120.4696 55.0294 18.3789 179.6920 23 L 3.8769 8.1102 117.5989 57.8707 41.6494 179.7851 24 I 4.0664 8.2328 120.9529 63.9030 36.8089 178.3576 25 A 4.0175 7.7998 120.2337 54.6982 18.2621 179.0051 26 K 4.0719 7.7367 114.5810 55.7771 33.0462 176.0752 27 N 4.0990 8.8407 117.1947 54.4695 38.1921 174.6702 28 G 2.8436 7.8604 106.2509 43.7765 0.0000 171.6802 29 P 4.1397 0.0000 0.0000 63.0481 32.3144 175.2598 30 Y 4.8102 8.1452 118.8253 55.7777 39.7363 175.2996 31 P 4.2245 0.0000 0.0000 64.7466 32.0714 176.1072 32 Y 4.8844 8.0888 116.4618 55.7007 40.8016 176.3221 33 N 4.4225 9.0738 120.5383 56.5772 39.0919 176.3380 34 R 4.2393 8.0365 114.7439 56.6532 30.6917 175.8662 35 D 4.3644 7.8011 119.9100 55.6205 40.9875 176.8590 36 G 3.3739 7.8751 113.1501 44.6344 0.0000 173.8832 37 V 3.8358 7.1395 119.4815 60.9632 32.8302 175.9617 38 V 3.8754 8.3906 122.2650 63.8622 31.9230 174.6481 39 F 4.7667 8.8515 130.4923 56.7504 40.1745 175.3160 40 E 3.9739 8.2186 124.6161 55.8136 30.2151 175.3808 41 N 3.4625 5.7700 116.7811 54.0067 37.2888 175.5558 42 R 3.7292 7.5381 117.0807 58.5860 30.4889 176.2747 43 E 4.3775 8.1171 115.5756 55.4873 29.8443 176.0963 44 S 4.0441 7.9384 113.9169 59.4947 61.0943 174.1038 45 R 4.0750 7.5445 120.9189 58.3720 30.1276 177.3575 46 L 4.1350 7.6876 117.0861 51.8799 43.1066 174.5057 47 P 4.2300 0.0000 0.0000 63.1115 31.7102 176.4846 48 K 4.1985 8.4103 121.8165 56.0747 32.6797 176.4769 49 K 4.3669 8.1250 121.8364 54.5717 36.0626 175.3828 50 G 3.9317 8.1615 108.6509 44.8706 0.0000 172.6393 51 N 4.4107 8.4069 116.6614 54.4077 38.8670 175.8999 52 G 3.8893 8.8031 109.0600 46.2666 0.0000 174.0091 53 Y 3.9157 7.7414 121.7913 59.5227 39.1408 174.9320 54 Y 5.8549 7.7257 116.2974 55.9460 40.8343 174.7795 55 H 5.5137 8.7699 116.1942 53.9485 33.4133 172.2127 56 E 5.2349 8.8588 118.9236 54.7521 32.6182 174.8631 57 F 5.0641 9.2205 119.7051 55.8841 43.4407 174.3058 58 T 4.3911 9.6190 120.9543 63.6967 69.0251 174.1197 59 V 4.5401 8.4682 126.9439 60.4601 32.4232 175.9944 60 V 3.7583 8.7727 128.1105 63.6358 31.8950 175.0504 61 T 4.4853 8.3480 123.2068 61.1086 69.4673 171.2668 62 P 4.5431 0.0000 0.0000 62.6303 31.7567 176.7136 63 G 4.0886 7.6081 114.9416 45.3871 0.0000 171.3757 *66 D 4.6269 8.9911 122.3955 53.7372 42.6041 175.9434 67 R 3.8172 8.0354 117.8263 56.9945 30.5051 176.8063 68 G 3.7686 7.9794 104.2143 44.7798 0.0000 172.0743 69 T 4.3261 8.0648 106.1635 61.4502 70.6385 174.1703 70 R 4.5250 7.6725 122.5089 55.6138 32.0097 175.5826 71 R 5.1567 8.7925 121.2489 54.7507 35.3156 173.9244 72 V 5.1795 9.0317 121.7394 61.4177 34.1103 174.4991 73 V 5.2465 9.0804 127.4977 61.4653 34.1148 174.3725 74 T 5.2884 9.3659 117.7208 60.2676 71.8737 173.8037 75 G 4.3934 9.0281 110.8197 44.1813 0.0000 174.9287 76 G 3.0798 6.4161 108.0290 47.4314 0.0000 174.1002 77 Y 4.3629 7.8243 115.4884 57.7825 38.3079 176.2876 78 G 4.1075 8.0299 107.7051 44.8846 0.0000 174.1076 79 E 4.0977 8.3197 119.3944 56.7074 30.7694 175.9215 80 Q 5.0929 8.2974 121.2556 54.3731 32.9036 173.8772 81 Y 5.3704 9.2610 120.3423 56.0672 42.4373 174.0226 82 W 5.4130 9.7600 133.5180 56.1728 33.2511 175.0097 83 S 4.2686 8.4682 121.0685 54.9766 64.4494 172.4434 84 P 3.8356 0.0000 0.0000 63.3872 32.0536 175.6641 85 D 4.4963 6.6409 119.3780 54.3067 39.8254 174.4949 86 H 2.6523 8.8060 114.2348 58.3964 28.7953 174.1051 87 Y 2.9057 7.0834 111.3290 58.1575 36.1219 171.0332 88 A 4.1228 7.6755 125.3410 54.5744 18.8732 178.6807 89 T 4.7504 7.4541 104.1989 59.9208 72.4927 173.4472 90 F 5.2951 8.7648 120.7100 55.9448 42.7275 174.2417 91 Q 5.0580 9.3581 121.3491 54.0685 32.3685 174.2881 92 E 4.6716 9.3212 124.7378 55.7856 31.0063 175.4484 93 I 4.4051 8.5141 129.2202 61.1088 38.2130 175.1298 94 D 4.6647 9.4375 128.6941 52.5470 41.4754 175.1967 95 P 4.5032 0.0000 0.0000 64.0564 31.6617 177.8090 96 R 4.2048 8.0293 117.2445 57.6600 30.6921 174.1708 97 C 4.4534 7.8104 118.0094 55.5733 42.7848 173.6676 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 A 8.26 4.34 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 5 L 8.38 4.20 0.00 1.88 1.75 1.04 0.68 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 6 A 9.24 4.28 1.31 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 0.00 0.00 0.00 7 D 8.65 5.48 0.00 2.61 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 8 V 8.63 4.58 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 0.94 0.00 0.00 0.92 0.00 0.00 9 C 8.79 4.79 0.00 2.99 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 10 R 8.67 3.77 0.00 1.91 2.03 0.00 3.34 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 11 T 7.78 4.04 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 12 K 7.65 4.16 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.52 7.81 13 L 7.12 3.89 0.00 1.42 0.99 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.24 0.00 2.02 1.93 0.00 2.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 15 S 8.87 4.07 0.00 4.02 4.13 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 0.00 0.00 0.00 0.00 16 Q 8.28 4.29 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 17 A 7.80 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.89 3.89 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 19 D 8.22 4.39 0.00 2.87 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 20 T 7.95 4.07 4.54 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 1.43 0.00 0.00 21 L 8.15 3.95 0.00 1.87 1.72 0.90 0.79 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 22 A 8.08 4.01 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 23 L 8.11 3.88 0.00 1.96 1.71 1.01 0.75 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 24 I 8.23 4.07 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 1.44 0.68 0.00 0.00 25 A 7.80 4.02 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 26 K 7.74 4.07 0.00 1.92 1.91 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.39 7.81 27 N 8.84 4.10 0.00 2.84 2.82 0.00 0.00 7.20 8.11 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 28 G 7.86 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 0.00 0.00 0.00 29 P 0.00 4.14 0.00 1.98 1.96 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 30 Y 8.15 4.81 0.00 3.22 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 31 P 0.00 4.22 0.00 1.39 1.99 0.00 4.18 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 2.09 2.03 0.00 32 Y 8.09 4.88 0.00 3.33 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 33 N 9.07 4.42 0.00 2.78 2.95 0.00 0.00 7.01 7.66 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 34 R 8.04 4.24 0.00 1.89 1.95 0.00 3.15 0.00 0.00 3.36 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 35 D 7.80 4.36 0.00 2.90 2.36 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 36 G 7.88 3.37 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 0.00 37 V 7.14 3.84 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 0.87 0.00 0.00 0.92 0.00 0.00 38 V 8.39 3.88 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 0.73 0.00 0.00 0.86 0.00 0.00 39 F 8.85 4.77 0.00 2.81 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 40 E 8.22 3.97 0.00 1.68 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 41 N 5.77 3.46 0.00 2.35 2.51 0.00 0.00 6.82 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 42 R 7.54 3.73 0.00 1.60 1.86 0.00 3.20 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 43 E 8.12 4.38 0.00 2.17 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 2.37 2.38 0.00 44 S 7.94 4.04 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 45 R 7.54 4.08 0.00 1.95 2.22 0.00 3.46 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 46 L 7.69 4.13 0.00 0.84 0.73 -0.68 -0.60 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 47 P 0.00 4.23 0.00 2.09 2.03 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 48 K 8.41 4.20 0.00 1.70 1.70 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 K 8.13 4.37 0.00 1.19 0.96 0.00 0.85 0.00 0.00 1.33 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.11 0.21 7.81 50 G 8.16 3.93 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 0.00 0.00 0.00 51 N 8.41 4.41 0.00 2.70 2.75 0.00 0.00 6.86 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 52 G 8.80 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 53 Y 7.74 3.92 0.00 3.06 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 5.85 0.00 3.41 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 55 H 8.77 5.51 0.00 3.22 2.96 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.86 5.23 0.00 2.12 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 2.23 2.45 0.00 57 F 9.22 5.06 0.00 2.97 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 58 T 9.62 4.39 4.47 0.00 0.00 0.00 0.00 0.00 0.00 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 59 V 8.47 4.54 2.38 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 1.31 0.00 0.00 1.34 0.00 0.00 60 V 8.77 3.76 2.19 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 0.96 0.00 0.00 1.12 0.00 0.00 61 T 8.35 4.49 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 62 P 0.00 4.54 0.00 2.06 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 63 G 7.61 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 0.00 0.00 0.00 0.00 *66 D 8.99 4.63 0.00 2.67 2.78 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 0.00 0.00 0.00 0.00 67 R 8.04 3.82 0.00 1.67 1.76 0.00 2.95 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 68 G 7.98 3.77 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 0.00 0.00 0.00 69 T 8.06 4.33 4.11 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 1.09 0.00 0.00 70 R 7.67 4.53 0.00 2.05 1.98 0.00 3.16 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 71 R 8.79 5.16 0.00 1.46 1.83 0.00 3.44 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 72 V 9.03 5.18 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 1.28 0.00 0.00 1.20 0.00 0.00 73 V 9.08 5.25 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 1.13 0.00 0.00 0.80 0.00 0.00 74 T 9.37 5.29 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 1.35 0.00 0.00 75 G 9.03 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 0.00 0.00 0.00 0.00 76 G 6.42 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 0.00 0.00 0.00 77 Y 7.82 4.36 0.00 3.09 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 78 G 8.03 4.11 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 0.00 0.00 0.00 79 E 8.32 4.10 0.00 2.28 1.76 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 2.67 2.54 0.00 80 Q 8.30 5.09 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 81 Y 9.26 5.37 0.00 3.08 3.12 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 82 W 9.76 5.41 0.00 3.35 3.01 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 83 S 8.47 4.27 0.00 3.01 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 84 P 0.00 3.84 0.00 2.03 1.89 0.00 3.18 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 85 D 6.64 4.50 0.00 2.67 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 86 H 8.81 2.65 0.00 2.90 3.08 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.08 2.91 0.00 3.21 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 88 A 7.68 4.12 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 89 T 7.45 4.75 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 1.15 0.00 0.00 90 F 8.76 5.30 0.00 2.86 2.91 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 0.00 0.00 0.00 91 Q 9.36 5.06 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 92 E 9.32 4.67 0.00 2.22 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 2.24 2.18 0.00 93 I 8.51 4.41 1.94 0.00 0.00 1.00 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 0.79 0.90 0.00 0.00 94 D 9.44 4.66 0.00 2.69 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 95 P 0.00 4.50 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 96 R 8.03 4.20 0.00 1.96 1.98 0.00 3.13 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 97 C 7.81 4.45 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.