NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4901 8.3293 120.8381 58.9323 31.6300 172.9595 11 P 4.4014 0.0000 0.0000 63.1232 32.7986 174.3238 12 L 4.9700 7.6784 122.3130 53.7427 45.0660 175.9211 13 M 4.9238 9.3169 126.0766 53.6337 36.2221 174.0534 14 V 4.8864 8.3140 123.0468 60.9013 35.1860 174.1104 15 K 5.0123 9.0185 128.0247 54.6143 35.3526 174.7799 16 V 4.8384 8.9393 127.1931 61.0496 34.6637 174.1395 17 L 5.1079 8.9401 126.6377 52.9099 46.0279 174.9076 18 D 5.1814 9.3793 122.0393 52.7870 42.4333 176.5236 19 A 4.2959 9.3716 128.6400 53.5664 18.6739 178.6176 20 V 3.8582 8.7296 115.4580 65.1320 31.8398 177.0991 21 R 4.3544 8.4505 115.7315 55.3316 31.6289 175.5999 22 G 3.7892 8.9115 105.5494 45.4946 0.0000 172.6029 23 S 4.7196 7.3104 111.4314 56.0224 67.0945 173.2227 24 P 4.6728 0.0000 0.0000 62.9797 32.0563 176.1593 25 A 4.2696 8.6004 125.6505 51.0920 19.4332 176.5343 26 I 4.2921 8.4139 122.8012 61.1791 39.0394 175.6279 27 N 4.1164 8.3615 120.7659 54.3770 36.6847 174.4490 28 V 4.2096 7.7158 117.8491 61.5757 33.1871 174.8777 29 A 4.6136 8.5485 129.9102 51.8349 20.1097 176.0699 30 V 4.7960 8.9316 121.3101 61.3959 35.1396 173.8706 31 H 5.1215 9.2795 124.6556 53.8893 31.9370 172.8722 32 V 4.8628 8.9900 123.8032 61.2175 34.2115 174.3846 33 F 5.7225 9.4339 124.9845 55.7385 43.4222 173.8745 34 R 4.7778 9.1089 118.2767 54.1038 32.1399 174.9544 35 K 4.1108 8.4469 123.5345 56.0034 32.8264 176.5950 36 A 4.3619 8.5638 130.4473 50.3866 20.2967 177.7787 37 A 4.0096 8.5156 124.4801 55.6187 18.3432 179.0541 *38 D 4.5802 8.0306 114.7495 53.6309 40.0809 182.3311 39 D 4.4606 8.2426 117.3042 54.2853 38.2644 178.9851 40 T 4.2685 7.1288 109.4681 61.5927 71.3650 173.7387 41 W 5.1270 8.3670 122.2979 55.5502 30.1306 175.8130 42 E 4.6093 9.4620 126.2968 54.6674 30.4455 174.6637 43 P 4.5192 0.0000 0.0000 63.8191 31.6766 174.8086 44 F 4.8900 8.9756 123.7044 59.3643 41.2353 174.5618 45 A 4.6835 7.7472 118.1962 51.0543 22.4052 174.5689 46 S 4.6378 7.8269 113.0197 57.7237 66.2772 173.4475 47 G 3.9617 7.9703 106.3009 46.2756 0.0000 171.8931 48 K 5.3219 8.5122 118.6260 54.2122 34.9802 176.9584 49 T 4.2405 8.6377 114.9015 61.9076 70.2880 174.9434 50 S 4.6506 8.9101 118.8493 57.4719 64.7735 174.5022 51 E 3.9816 8.7317 118.9674 59.2596 28.6332 178.1115 52 S 4.4874 8.4257 112.6620 57.6142 63.3772 175.1284 53 G 3.8377 8.2307 108.4438 45.8972 0.0000 173.0941 54 E 5.1645 7.3941 115.1186 54.1198 33.3891 175.1113 55 L 4.9047 8.5773 122.9351 54.0525 45.0276 175.0366 56 H 4.8899 8.9017 122.5869 54.4990 32.1928 174.3033 57 G 3.8733 8.7678 105.8872 46.3885 0.0000 174.9988 58 L 4.0316 8.0461 120.8586 57.1370 41.7594 176.6720 59 T 4.5905 7.3172 104.9004 60.2852 71.8334 172.1546 60 T 4.7851 8.0399 109.1608 59.7800 71.9080 174.5096 61 E 4.1674 8.8606 121.4946 59.6576 29.8502 178.6240 62 E 4.1726 8.4340 117.3567 59.5279 29.6731 178.0031 63 E 4.1896 7.8725 116.8821 58.8087 30.4009 177.1678 64 F 4.9190 8.0837 122.4755 57.1353 37.9917 175.2065 65 V 3.8952 7.3467 115.4717 60.5501 32.7760 176.5017 66 E 4.5460 7.9606 120.3193 55.6210 29.8431 177.4850 67 G 4.0020 7.8190 109.6327 44.7821 0.0000 170.6949 68 I 4.6793 7.1697 120.1245 59.9823 39.0789 174.9984 69 Y 5.0744 8.5767 123.8570 55.8922 41.9129 174.3918 70 K 4.8710 9.1498 123.2061 54.5096 35.5161 174.8005 71 V 4.7993 9.1903 127.3192 61.1947 33.9694 173.5080 72 E 4.9778 9.6381 129.8555 54.5074 31.9527 174.3302 73 I 4.5792 8.7893 128.1374 59.3877 39.3075 175.5052 74 D 4.8307 8.8925 129.6775 53.5905 38.0642 176.4977 75 T 3.9581 7.7659 114.6687 63.9575 69.3950 176.6069 76 K 4.0957 8.0970 122.0740 59.6812 32.3701 178.6254 77 S 4.1386 8.4629 115.3267 61.7680 62.5171 175.7598 78 Y 3.9854 7.3911 119.8732 60.8509 38.7307 178.2502 79 W 4.4389 8.1000 119.3154 59.7234 29.1924 178.5634 80 K 3.9660 8.4336 118.3156 59.6854 31.3263 179.1999 81 A 4.0230 7.9423 119.4110 54.3461 18.3330 178.6419 82 L 4.3476 7.6377 115.4521 54.3198 42.0801 177.3765 83 G 3.9204 8.0563 107.1347 45.9070 0.0000 173.1804 84 I 4.4177 7.6824 119.0623 58.9403 39.4986 175.3190 85 S 4.3503 8.6921 120.1842 57.0084 62.0651 171.7608 86 P 4.5880 0.0000 0.0000 61.4133 33.2506 175.5030 87 F 3.9205 8.3348 120.4579 60.5164 39.5502 175.8993 88 H 4.4564 7.8434 115.7896 55.0326 29.5247 175.4876 89 E 4.0395 8.6401 122.4268 59.7034 29.5265 176.1796 90 H 4.8743 7.6093 110.6444 55.9378 31.4738 172.8279 91 A 4.4262 8.5666 120.4568 50.0357 20.9186 175.4316 92 E 5.0543 8.8625 121.7885 54.4799 32.4550 175.7705 93 V 4.4775 8.9096 123.4544 61.1864 34.6194 174.1844 94 V 5.1173 8.6077 127.7438 61.1349 33.8798 174.3244 95 F 5.0845 8.7540 121.2589 56.3128 41.7158 172.8638 96 T 4.8972 8.6356 116.5126 62.2672 70.0390 174.2723 97 A 4.4472 9.1339 131.8547 52.0681 19.7396 176.4943 98 N 5.3265 9.2343 124.2742 51.8786 41.2336 170.8483 99 D 4.9200 8.7307 122.4609 50.8134 42.5253 173.0836 *103 R 4.4597 7.9341 122.7272 55.2366 31.2195 177.5549 104 R 4.6947 8.8884 127.4324 56.0872 31.7978 173.7770 105 Y 4.9762 9.1927 122.2947 56.4871 40.6252 174.7611 106 T 4.9224 8.6978 121.2008 61.8966 71.2939 173.4200 107 I 4.5503 8.7816 128.9179 60.0359 38.6500 174.8379 108 A 5.2497 9.0169 129.6673 50.1516 21.9073 175.1934 109 A 5.1265 8.9395 121.8788 50.0824 22.8938 174.7192 110 L 4.9791 9.1340 125.0916 53.3472 44.4090 174.9072 111 L 5.3964 9.0703 127.0028 53.3545 44.1141 175.9111 112 S 5.2159 9.3840 118.7097 56.0143 67.0152 173.3534 113 P 3.2602 0.0000 0.0000 65.1993 31.0983 177.7413 114 Y 4.6934 7.7202 112.2601 57.0982 38.7717 174.9385 115 S 4.6905 8.0743 113.3587 57.4879 65.7450 172.8573 116 Y 5.5761 7.7961 123.5209 55.6380 41.0594 173.9762 117 S 4.9645 9.0980 114.8490 56.9506 66.5531 172.7172 118 T 5.2326 8.4756 114.7706 60.9359 70.5304 172.9815 119 T 4.8130 8.9464 123.1037 61.7836 73.1463 172.4245 120 A 5.0022 8.6352 126.6320 50.2771 21.2526 176.1988 121 V 4.1319 8.6713 123.2774 61.2584 33.5330 174.5542 122 V 4.7236 8.2951 128.8585 61.3259 33.0712 174.6098 123 T 4.7153 8.5738 117.1401 60.2286 73.0499 174.0358 124 N 4.5325 8.5427 118.0097 53.4506 39.0001 174.9920 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 10 C 8.33 4.49 0.00 2.95 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 11 P 0.00 4.40 0.00 2.36 2.42 0.00 3.76 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 1.85 2.22 0.00 12 L 7.68 4.97 0.00 0.70 1.01 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.32 4.92 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 14 V 8.31 4.89 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 0.82 0.00 0.00 0.88 0.00 0.00 15 K 9.02 5.01 0.00 1.76 1.54 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.94 4.84 1.89 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 0.75 0.00 0.00 0.81 0.00 0.00 17 L 8.94 5.11 0.00 1.57 1.50 0.92 0.68 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 18 D 9.38 5.18 0.00 2.62 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 19 A 9.37 4.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.73 3.86 2.59 0.00 0.00 0.00 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 1.09 0.00 0.00 21 R 8.45 4.35 0.00 1.93 2.02 0.00 3.41 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 22 G 8.91 3.79 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 0.00 0.00 0.00 23 S 7.31 4.72 0.00 3.88 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 24 P 0.00 4.67 0.00 1.94 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 25 A 8.60 4.27 0.52 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 26 I 8.41 4.29 1.91 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 1.60 0.62 1.00 0.00 0.00 27 N 8.36 4.12 0.00 2.89 2.91 0.00 0.00 6.85 7.82 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 28 V 7.72 4.21 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 0.86 0.00 0.00 0.57 0.00 0.00 29 A 8.55 4.61 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 30 V 8.93 4.80 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 0.97 0.00 0.00 0.92 0.00 0.00 31 H 9.28 5.12 0.00 3.10 2.61 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.99 4.86 2.31 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 1.29 0.00 0.00 0.95 0.00 0.00 33 F 9.43 5.72 0.00 2.92 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 34 R 9.11 4.78 0.00 1.19 1.28 0.00 2.84 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 35 K 8.45 4.11 0.00 0.82 1.32 0.00 1.36 0.00 0.00 1.35 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.41 7.81 36 A 8.56 4.36 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 37 A 8.52 4.01 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 *38 D 8.03 4.58 0.00 2.71 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 39 D 8.24 4.46 0.00 2.84 2.75 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 0.00 0.00 0.00 40 T 7.13 4.27 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 1.14 0.00 0.00 41 W 8.37 5.13 0.00 2.94 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 42 E 9.46 4.61 0.00 1.99 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 2.33 2.46 0.00 43 P 0.00 4.52 0.00 2.01 2.05 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 44 F 8.98 4.89 0.00 3.06 3.13 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 45 A 7.75 4.68 1.10 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 0.00 0.00 46 S 7.83 4.64 0.00 3.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.97 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 48 K 8.51 5.32 0.00 1.58 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.35 7.81 49 T 8.64 4.24 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 1.16 0.00 0.00 50 S 8.91 4.65 0.00 3.96 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 51 E 8.73 3.98 0.00 1.97 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 2.31 2.24 0.00 52 S 8.43 4.49 0.00 3.99 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 53 G 8.23 3.84 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 54 E 7.39 5.16 0.00 1.99 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 2.18 2.41 0.00 55 L 8.58 4.90 0.00 1.65 1.38 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.90 4.89 0.00 2.97 3.16 0.00 6.02 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 57 G 8.77 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 58 L 8.05 4.03 0.00 1.55 1.68 0.85 0.75 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 59 T 7.32 4.59 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 1.40 0.00 0.00 60 T 8.04 4.79 4.58 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 1.21 0.00 0.00 61 E 8.86 4.17 0.00 2.05 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 2.39 2.39 0.00 62 E 8.43 4.17 0.00 1.99 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 0.00 2.35 2.41 0.00 63 E 7.87 4.19 0.00 2.07 2.33 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 2.55 2.31 0.00 64 F 8.08 4.92 0.00 3.17 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 65 V 7.35 3.90 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 0.95 0.00 0.00 66 E 7.96 4.55 0.00 1.92 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 2.43 2.30 0.00 67 G 7.82 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 68 I 7.17 4.68 1.71 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 1.30 0.52 1.12 0.00 0.00 69 Y 8.58 5.07 0.00 1.77 2.52 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 70 K 9.15 4.87 0.00 0.79 0.74 0.00 1.49 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.05 7.81 71 V 9.19 4.80 2.20 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 0.99 0.00 0.00 1.17 0.00 0.00 72 E 9.64 4.98 0.00 2.15 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 0.00 2.14 2.05 0.00 73 I 8.79 4.58 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.55 0.78 0.00 0.00 74 D 8.89 4.83 0.00 2.72 2.58 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 75 T 7.77 3.96 4.46 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 1.14 0.00 0.00 76 K 8.10 4.10 0.00 2.20 1.90 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.59 7.81 77 S 8.46 4.14 0.00 4.01 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 78 Y 7.39 3.99 0.00 2.77 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 79 W 8.10 4.44 0.00 3.52 3.34 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 80 K 8.43 3.97 0.00 1.98 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.74 1.65 7.81 81 A 7.94 4.02 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 82 L 7.64 4.35 0.00 1.77 1.73 0.28 0.58 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 83 G 8.06 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 84 I 7.68 4.42 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.77 0.00 0.00 85 S 8.69 4.35 0.00 3.87 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 86 P 0.00 4.59 0.00 2.27 2.07 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 87 F 8.33 3.92 0.00 1.51 2.57 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 88 H 7.84 4.46 0.00 3.32 3.49 0.00 5.95 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 89 E 8.64 4.04 0.00 1.79 1.96 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 2.17 2.15 0.00 90 H 7.61 4.87 0.00 3.24 3.25 0.00 5.09 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 91 A 8.57 4.43 0.27 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 92 E 8.86 5.05 0.00 1.89 1.83 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 2.38 2.29 0.00 93 V 8.91 4.48 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 0.86 0.00 0.00 0.97 0.00 0.00 94 V 8.61 5.12 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 1.11 0.00 0.00 0.87 0.00 0.00 95 F 8.75 5.08 0.00 3.19 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 96 T 8.64 4.90 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 1.29 0.00 0.00 97 A 9.13 4.45 0.74 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 98 N 9.23 5.33 0.00 2.50 2.55 0.00 0.00 6.87 8.06 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 99 D 8.73 4.92 0.00 2.67 2.48 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 *103 R 7.93 4.46 0.00 1.88 1.47 0.00 3.35 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 104 R 8.89 4.69 0.00 1.68 1.81 0.00 3.25 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 105 Y 9.19 4.98 0.00 2.79 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 0.00 106 T 8.70 4.92 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 1.16 0.00 0.00 107 I 8.78 4.55 1.81 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.81 0.88 0.00 0.00 108 A 9.02 5.25 1.19 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 0.00 0.00 0.00 109 A 8.94 5.13 1.14 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 0.00 110 L 9.13 4.98 0.00 1.79 1.60 0.97 0.60 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 0.00 111 L 9.07 5.40 0.00 1.76 2.01 0.54 0.55 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 0.00 112 S 9.38 5.22 0.00 3.92 3.73 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 0.00 113 P 0.00 3.26 0.00 2.06 1.64 0.00 3.28 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.44 0.00 114 Y 7.72 4.69 0.00 2.76 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 0.00 115 S 8.07 4.69 0.00 3.79 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 0.00 116 Y 7.80 5.58 0.00 3.12 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 0.00 117 S 9.10 4.96 0.00 3.92 3.99 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 0.00 118 T 8.48 5.23 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 1.34 0.00 0.00 119 T 8.95 4.81 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 0.00 120 A 8.64 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.67 4.13 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 0.89 0.00 0.00 0.91 0.00 0.00 122 V 8.30 4.72 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 0.41 0.00 0.00 0.83 0.00 0.00 123 T 8.57 4.72 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 1.16 0.00 0.00 124 N 8.54 4.53 0.00 2.68 2.71 0.00 0.00 6.77 7.56 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 * Residues marked with a * may have inaccurate shift predictions.