NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7081 8.2233 119.5604 53.1677 42.7612 177.5657 6 L 4.0122 7.8369 119.2887 56.8023 41.6365 174.0784 7 V 3.7778 8.0889 119.3361 66.7453 31.7459 178.4435 8 T 4.0058 8.0133 115.5634 66.4851 68.6067 178.8422 9 K 4.2333 7.8884 126.4355 59.8257 31.7459 180.4167 10 F 4.3391 8.2056 121.3934 61.3924 39.1491 177.0844 11 E 3.9319 8.5765 116.3805 58.2692 29.3063 178.7314 12 S 4.2226 8.0273 114.1205 59.3280 64.1056 174.4098 13 L 4.3410 7.0720 123.2925 53.3204 42.6367 177.9023 14 I 3.6387 8.1052 115.2378 63.6411 37.6246 177.8367 15 I 3.5630 7.4214 120.0820 62.9505 37.9087 176.2449 16 S 3.9467 7.4509 115.1398 59.7873 62.9155 175.8903 17 K 4.1993 7.6015 126.9561 53.6135 31.0959 182.4204 *21 S 4.3813 8.2815 121.0603 56.6866 65.6171 178.2618 22 F 3.4367 8.2613 111.9531 56.8257 41.1100 179.6660 23 T 4.1900 9.2907 123.0535 63.0489 70.7216 174.6122 24 K 3.8762 8.7408 126.1236 60.5379 31.6564 179.7844 25 E 4.2758 8.1384 119.0872 59.0561 29.4724 179.3622 26 Q 4.0602 8.0900 118.2859 58.9703 28.7738 178.5701 27 S 4.1215 8.7847 116.3187 61.7281 62.9455 176.5345 28 A 3.9817 7.9657 123.2584 55.3276 17.9404 179.5633 29 Q 3.9146 8.0119 117.1768 59.2656 29.3231 178.1032 30 A 4.1386 8.5809 122.0808 55.0813 18.3382 179.3506 31 A 3.9051 8.3952 119.5303 55.5448 18.5227 179.1137 32 Q 3.6657 7.9944 117.7040 59.7811 28.8960 179.5379 33 W 4.2736 8.0585 121.5683 60.0512 29.0314 179.1390 34 E 4.0401 8.1320 118.2806 61.4177 29.1256 182.7417 35 S 4.3068 8.2298 116.6191 61.3128 62.8567 177.1967 36 V 3.4679 7.8169 120.7450 65.8613 31.2998 177.9018 37 L 4.0543 8.2095 119.1547 57.8794 41.4014 179.7061 38 K 4.1739 8.0844 116.5107 58.8487 32.7604 178.1792 39 S 4.5258 7.8001 113.9826 57.5905 63.5616 174.0737 40 G 3.9228 7.8802 110.3931 47.5993 0.0000 174.7077 41 Q 4.5808 8.0961 115.8929 55.5199 29.4355 176.5709 42 I 3.9529 7.7426 123.1425 64.2050 38.1088 177.4274 43 Q 3.9682 8.1400 120.1260 58.7334 28.8292 176.3682 44 P 4.4797 0.0000 0.0000 65.0055 31.5807 176.6906 45 H 4.7802 8.0002 115.4491 55.5948 29.0043 176.0830 46 L 4.0692 7.9120 124.3876 58.4669 41.9152 178.6059 47 D 4.4873 8.2702 118.3060 57.5439 40.7674 178.4813 48 Q 4.0635 8.1689 119.6277 58.9668 29.1752 177.6891 49 L 4.0017 8.7293 122.0186 58.1673 42.1037 178.4779 50 N 4.3538 8.5429 117.2254 56.5933 38.6801 176.6699 51 L 3.9556 7.8272 120.8407 58.0040 42.5291 178.5785 52 V 3.7543 8.2207 118.6791 66.2286 31.2914 177.8715 53 L 4.4725 7.5765 117.5125 56.0501 41.5144 178.7330 54 R 3.6708 7.6036 118.8196 58.6817 30.0460 176.5540 55 D 4.8020 7.6807 114.5010 53.9428 42.3778 175.9265 56 N 4.9683 7.5597 116.6881 51.3255 42.2357 175.3151 57 T 3.5064 8.5847 119.6759 65.8105 68.9338 174.3213 58 F 5.1744 7.2968 117.6502 55.1004 42.6804 175.9893 59 I 3.4096 9.0507 123.9269 64.5851 36.7657 178.2725 60 V 4.2473 7.7594 116.7230 62.8338 31.7721 175.3152 61 S 3.6962 7.5946 110.5556 59.3413 60.7109 172.0815 62 T 4.6183 7.7170 108.0002 59.9948 71.0922 174.5158 63 L 4.0574 8.1764 120.6360 56.3137 41.9619 176.7725 64 Y 4.8252 7.2413 114.2114 54.7249 41.6549 173.3159 65 P 3.8029 0.0000 0.0000 63.0224 32.2248 176.0021 66 T 4.8608 8.2079 115.9655 60.8785 73.7353 175.3926 67 S 3.8073 8.5737 116.5226 62.0255 62.6142 176.8250 68 T 3.9502 7.8192 118.8131 66.4037 68.1843 176.0475 69 D 4.6028 8.0124 120.3672 57.5421 40.9413 179.0193 70 V 3.4712 7.2920 118.0596 66.2717 31.2096 177.7213 71 H 4.2614 8.3395 116.3585 58.9529 28.5754 178.0512 72 V 3.6574 8.2312 120.2976 65.9501 31.3079 177.6664 73 F 4.3337 8.8842 120.9141 61.5191 38.8936 176.5630 74 E 3.6837 8.1661 117.7380 59.0506 29.7694 178.5518 75 V 3.9608 7.3528 111.3314 63.2424 32.2151 178.3010 76 A 4.0974 8.4785 121.1075 54.7681 18.2139 179.2604 77 L 3.7165 7.8428 119.2817 57.9721 42.0538 177.6130 78 P 4.1945 0.0000 0.0000 65.2952 31.1959 178.5839 79 L 3.9439 7.4412 116.6299 57.9224 41.6033 179.6769 80 I 3.6136 7.9224 122.0723 64.8271 37.0228 179.1385 81 K 3.9636 7.9584 124.5676 59.9706 31.4140 180.3420 82 D 4.5156 8.1286 119.3926 57.1014 41.0233 178.2567 83 L 3.9716 8.6138 120.4027 57.9018 41.4093 179.7571 84 V 3.5683 8.1547 117.1570 65.7225 31.5320 177.5881 85 A 4.1647 8.2399 120.2838 55.1843 18.4567 179.2901 86 S 4.3354 8.0269 109.5976 58.3244 63.8609 174.5884 87 S 4.1034 7.0673 117.9955 58.8538 62.4061 174.5156 88 K 4.0545 8.6026 126.3538 58.7260 32.4187 177.3098 89 D 4.3009 7.8971 117.9972 52.2989 43.6900 175.6823 90 V 3.3028 8.2156 127.9384 65.6283 31.6077 177.4000 91 K 3.8328 7.8890 118.9418 59.8765 32.1230 178.7343 92 S 4.0946 8.2807 115.1780 61.6704 62.5206 176.8968 93 T 3.8893 7.7433 118.4918 66.9707 68.0288 176.3523 94 Y 4.5198 7.7114 117.5040 61.5990 37.9357 178.6377 95 T 4.0647 8.0686 115.9575 66.7749 68.5658 176.6407 96 T 3.9204 7.5221 116.6876 65.1742 68.8001 174.5487 97 Y 4.9878 7.6229 118.9461 57.0799 39.2733 178.1617 98 R 3.9399 8.2391 120.9346 59.8419 30.3312 178.0092 99 H 4.4022 7.8356 115.3034 58.6052 28.9286 177.4570 100 I 3.8966 7.9540 121.2138 64.6706 36.9052 178.2204 101 L 4.1273 8.4035 119.8056 57.7167 41.4594 179.3517 102 R 3.9333 8.0367 118.5827 59.5120 29.9742 178.4182 103 W 4.3046 8.3854 127.6972 60.3302 30.6442 178.1016 104 I 3.5499 8.5773 120.5220 64.2183 36.3975 177.7485 105 D 4.3012 8.4141 119.1143 57.5085 40.9643 177.5409 106 Y 3.8286 8.0139 119.8424 61.1369 38.8573 178.0801 107 M 3.7187 8.1167 120.0982 58.0927 31.7709 178.8733 108 Q 3.9301 8.0327 118.1366 58.8841 28.7911 178.4174 109 N 4.1817 7.6511 118.7245 55.9633 38.4522 176.8764 110 L 3.6996 7.5175 121.1384 57.8652 42.0859 177.6690 111 L 4.3750 7.7055 114.7231 53.7537 42.0521 176.0549 112 E 3.7044 7.7886 117.1789 57.1415 27.2218 175.4012 113 V 3.7410 7.9095 118.0242 62.4001 32.7041 175.5399 114 S 4.1671 8.6976 120.5872 59.2222 62.9372 174.6862 115 S 4.7433 8.4946 117.5330 58.8710 62.1358 174.7493 116 T 4.6380 7.6740 107.5449 61.3772 70.9127 174.3999 117 D 4.5125 8.1621 120.9431 55.9209 41.4003 177.0549 118 K 4.2354 8.1173 118.2887 56.4711 33.0746 176.1205 119 L 4.1078 8.7876 125.8287 55.0910 42.3944 176.8620 120 E 4.4536 8.6710 125.2729 54.5459 30.0276 173.1006 121 I 3.7525 8.1112 121.8483 59.2316 35.4947 173.5338 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 5 D 8.22 4.71 0.00 2.62 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 6 L 7.84 4.01 0.00 1.82 1.82 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.09 3.78 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 1.11 0.00 0.00 0.93 0.00 0.00 8 T 8.01 4.01 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 9 K 7.89 4.23 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 10 F 8.21 4.34 0.00 3.09 3.25 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 11 E 8.58 3.93 0.00 2.13 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 2.40 2.61 0.00 12 S 8.03 4.22 0.00 3.96 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 13 L 7.07 4.34 0.00 1.52 1.48 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.11 3.64 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.84 0.00 0.00 15 I 7.42 3.56 1.79 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.88 0.00 0.00 16 S 7.45 3.95 0.00 3.37 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 17 K 7.60 4.20 0.00 1.80 1.66 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.23 7.81 *21 S 8.28 4.38 0.00 3.65 3.59 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 0.00 0.00 0.00 0.00 22 F 8.26 3.44 0.00 3.16 2.87 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 23 T 9.29 4.19 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 24 K 8.74 3.88 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.13 7.81 25 E 8.14 4.28 0.00 2.08 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 0.00 2.41 2.47 0.00 26 Q 8.09 4.06 0.00 2.48 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 27 S 8.78 4.12 0.00 3.84 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 28 A 7.97 3.98 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 29 Q 8.01 3.91 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 30 A 8.58 4.14 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 31 A 8.40 3.91 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 32 Q 7.99 3.67 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 33 W 8.06 4.27 0.00 3.46 3.25 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 34 E 8.13 4.04 0.00 2.01 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 2.24 2.23 0.00 35 S 8.23 4.31 0.00 3.91 3.90 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 36 V 7.82 3.47 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 0.52 0.00 0.00 37 L 8.21 4.05 0.00 2.01 1.75 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.08 4.17 0.00 1.91 1.94 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.59 7.81 39 S 7.80 4.53 0.00 4.00 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 40 G 7.88 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 Q 8.10 4.58 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 42 I 7.74 3.95 1.96 0.00 0.00 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 1.60 1.34 0.95 0.00 0.00 43 Q 8.14 3.97 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 44 P 0.00 4.48 0.00 2.22 2.17 0.00 3.88 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 2.24 2.08 0.00 45 H 8.00 4.78 0.00 3.56 3.54 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 4.07 0.00 2.12 1.82 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.27 4.49 0.00 2.80 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 48 Q 8.17 4.06 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 49 L 8.73 4.00 0.00 1.78 1.85 -0.08 0.13 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 50 N 8.54 4.35 0.00 3.11 3.07 0.00 0.00 6.88 7.18 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 51 L 7.83 3.96 0.00 1.72 1.89 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.22 3.75 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 1.02 0.00 0.00 1.20 0.00 0.00 53 L 7.58 4.47 0.00 1.56 1.59 -0.04 0.33 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 54 R 7.60 3.67 0.00 1.52 2.02 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 55 D 7.68 4.80 0.00 2.64 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 56 N 7.56 4.97 0.00 2.70 2.73 0.00 0.00 7.13 7.05 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 57 T 8.58 3.51 3.67 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 0.00 0.00 0.00 -0.01 0.00 0.00 58 F 7.30 5.17 0.00 3.11 3.24 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 59 I 9.05 3.41 1.70 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.24 0.34 0.00 0.00 60 V 7.76 4.25 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 0.93 0.00 0.00 1.00 0.00 0.00 61 S 7.59 3.70 0.00 4.07 3.91 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 62 T 7.72 4.62 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 1.38 0.00 0.00 63 L 8.18 4.06 0.00 0.83 0.80 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.24 4.83 0.00 2.95 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 65 P 0.00 3.80 0.00 1.94 1.50 0.00 3.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 66 T 8.21 4.86 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 1.27 0.00 0.00 67 S 8.57 3.81 0.00 4.07 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 0.00 68 T 7.82 3.95 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 1.25 0.00 0.00 69 D 8.01 4.60 0.00 2.74 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 70 V 7.29 3.47 1.60 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 0.93 0.00 0.00 0.15 0.00 0.00 71 H 8.34 4.26 0.00 3.23 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.23 3.66 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 0.76 0.00 0.00 0.84 0.00 0.00 73 F 8.88 4.33 0.00 2.70 3.15 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 74 E 8.17 3.68 0.00 2.26 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 2.36 0.00 75 V 7.35 3.96 2.10 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 0.82 0.00 0.00 1.11 0.00 0.00 76 A 8.48 4.10 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.84 3.72 0.00 0.72 1.08 0.87 0.56 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 78 P 0.00 4.19 0.00 2.14 2.02 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 79 L 7.44 3.94 0.00 1.89 1.64 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.92 3.61 1.86 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.96 0.00 0.00 81 K 7.96 3.96 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 82 D 8.13 4.52 0.00 2.78 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 83 L 8.61 3.97 0.00 1.78 1.75 0.68 0.05 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 84 V 8.15 3.57 2.29 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 0.90 0.00 0.00 1.14 0.00 0.00 85 A 8.24 4.16 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 86 S 8.03 4.34 0.00 4.03 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 87 S 7.07 4.10 0.00 3.87 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 88 K 8.60 4.05 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.36 7.81 89 D 7.90 4.30 0.00 2.74 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 90 V 8.22 3.30 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 0.38 0.00 0.00 0.83 0.00 0.00 91 K 7.89 3.83 0.00 1.85 1.93 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.60 7.81 92 S 8.28 4.09 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 93 T 7.74 3.89 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 1.39 0.00 0.00 94 Y 7.71 4.52 0.00 2.94 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 95 T 8.07 4.06 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 1.19 0.00 0.00 96 T 7.52 3.92 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 0.47 0.00 0.00 97 Y 7.62 4.99 0.00 3.10 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 98 R 8.24 3.94 0.00 1.50 1.91 0.00 3.10 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 99 H 7.84 4.40 0.00 3.33 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.95 3.90 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 1.15 0.00 0.00 101 L 8.40 4.13 0.00 1.93 1.75 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.04 3.93 0.00 1.98 2.22 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 103 W 8.39 4.30 0.00 3.44 3.46 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 0.00 104 I 8.58 3.55 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 1.04 0.00 0.00 105 D 8.41 4.30 0.00 2.94 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 0.00 106 Y 8.01 3.83 0.00 3.21 3.06 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 0.00 107 M 8.12 3.72 0.00 0.51 0.61 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.86 0.00 108 Q 8.03 3.93 0.00 2.36 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 109 N 7.65 4.18 0.00 2.78 2.72 0.00 0.00 6.49 6.63 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 0.00 110 L 7.52 3.70 0.00 1.28 1.67 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.71 4.38 0.00 1.65 1.67 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.79 3.70 0.00 2.11 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 2.21 2.18 0.00 113 V 7.91 3.74 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 0.84 0.00 0.00 1.10 0.00 0.00 114 S 8.70 4.17 0.00 4.04 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 0.00 115 S 8.49 4.74 0.00 3.85 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 0.00 116 T 7.67 4.64 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 0.00 117 D 8.16 4.51 0.00 2.79 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 0.00 118 K 8.12 4.24 0.00 2.01 1.97 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.39 7.81 119 L 8.79 4.11 0.00 1.65 1.66 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.67 4.45 0.00 2.01 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 2.14 1.84 0.00 121 I 8.11 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.