NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6130 8.4444 117.3716 53.8122 28.9797 172.3551 7 R 4.7094 8.5025 126.5967 54.7872 30.1787 174.6480 8 L 4.5114 8.4716 127.0837 55.5847 42.9383 176.8702 9 S 4.6736 10.0314 117.1780 57.2482 65.1819 174.9362 10 A 3.7669 8.5440 120.5768 54.1964 18.0130 179.2719 11 E 3.8782 7.9913 118.0459 59.2031 30.1064 177.9088 12 E 4.6958 9.2001 120.6622 58.9440 29.5089 179.6729 13 R 3.8792 8.9684 118.6075 59.6067 30.0481 178.9798 14 D 4.3949 8.2332 117.0489 56.5362 41.0688 177.6388 15 Q 4.3687 8.1242 118.9175 56.4678 29.2637 176.4375 16 L 4.5018 7.4360 117.8166 56.0942 43.9407 178.2113 17 L 4.1015 8.3591 119.3884 56.9936 41.4020 177.4032 18 P 4.2059 0.0000 0.0000 65.8599 31.0459 177.7365 19 N 4.4903 8.2343 114.2831 56.5843 38.5331 177.1623 20 L 4.0867 7.8919 119.4224 58.0051 41.7419 179.7103 21 R 4.1421 8.7311 117.9653 59.3443 29.8112 178.9085 22 A 4.1321 8.7354 120.8142 54.2384 18.2632 179.0181 23 V 4.3255 7.0660 115.5771 61.9859 32.3034 176.7503 24 G 3.8368 7.8465 106.2334 45.3289 0.0000 174.5410 25 W 4.2608 8.0239 120.4421 56.3324 29.8666 175.6105 26 N 5.1334 8.6926 121.7520 51.4418 41.4422 173.5379 27 E 4.9627 8.7465 121.2784 55.7941 30.6918 176.4382 28 L 4.4406 9.9788 124.3756 54.8939 42.2323 176.5887 29 E 4.4303 8.8308 119.6153 58.3265 30.7760 178.9187 30 G 3.4889 8.0180 105.2206 47.2098 0.0000 173.3947 31 R 4.5466 7.2512 115.0504 54.3702 32.1178 174.7905 32 D 4.7227 8.5902 120.0418 54.1861 40.8986 174.4325 33 A 4.7872 8.1844 125.0652 50.9949 22.5902 174.6441 34 I 4.8814 8.1687 114.0522 59.7549 41.0301 174.3675 35 F 5.7583 9.4066 117.7144 56.4831 41.9318 172.6201 36 K 3.6526 9.1612 117.7977 55.2307 35.6752 173.4306 37 Q 4.8454 8.0313 127.6179 54.8715 30.4111 174.4940 38 F 4.5680 10.8682 124.1789 55.8918 42.2899 174.0292 39 H 5.0885 7.9878 120.3605 54.6235 32.5962 172.1082 40 F 4.8562 9.0212 123.2391 55.3891 42.7945 175.2673 41 K 4.1482 9.0148 119.0486 59.6383 32.1473 176.5433 42 D 4.3396 7.4102 115.4187 51.3399 41.9205 175.1498 43 F 3.9442 8.2785 119.5009 61.3459 39.2142 176.7598 44 N 4.1237 8.1035 116.3321 56.7491 38.6017 176.9487 45 R 3.7295 8.5517 119.5010 58.9090 30.1875 178.7247 46 A 2.8799 7.2835 120.5097 54.7168 18.3215 179.5635 47 F 3.4923 7.9547 119.4341 61.0136 39.4185 177.2812 48 G 3.7060 7.8406 105.5435 47.9493 0.0000 175.0947 49 F 4.0261 8.6738 124.2908 61.2615 39.3545 177.0016 50 M 3.7263 8.0612 118.3911 58.5161 31.5452 178.9562 51 T 3.6259 7.7516 115.9724 66.7127 68.5044 177.0213 52 R 3.9739 7.7961 119.9094 59.1308 30.0297 179.3540 53 V 3.7193 7.6820 118.0752 65.7632 31.4990 177.9136 54 A 4.0873 8.5448 121.0239 55.1158 18.1928 179.5971 55 L 3.9022 7.9234 117.5390 57.8297 41.6206 179.5789 56 Q 3.5389 7.6869 119.3420 59.0114 28.9417 177.7166 57 A 4.0797 8.0500 123.4618 54.6729 18.2145 179.5682 58 E 3.8962 8.1486 116.6455 59.2613 29.3809 179.1890 59 K 3.8040 7.8099 118.6624 59.2479 32.3028 177.9884 60 L 4.1978 7.8335 116.5060 53.6523 42.7795 175.6970 61 D 4.2916 7.6700 117.0729 54.9869 39.9240 173.6979 62 H 4.6182 8.1365 117.9882 54.9932 32.6984 171.1638 63 H 4.7293 8.4162 124.0162 53.1395 30.9613 172.4676 64 P 4.4546 0.0000 0.0000 62.3826 33.1584 175.2919 65 E 4.7771 8.8283 119.8111 54.5128 30.9068 175.4044 66 W 5.9847 9.1780 121.0816 54.6091 31.7320 174.4843 67 F 5.0651 9.8774 123.5352 56.5788 42.2560 173.0576 68 N 5.9365 7.9635 122.8889 50.6765 42.2986 173.7195 69 V 4.1740 7.9714 123.9884 61.5782 35.0653 176.7115 70 Y 3.7017 9.0141 131.2292 59.0174 38.6873 170.5266 71 N 4.6956 9.3458 113.6403 52.2248 38.4424 174.2524 72 K 5.2377 8.1862 118.6023 55.0310 35.6134 175.4164 73 V 4.9625 9.4227 123.0842 61.7620 35.0548 173.3553 74 H 5.2818 9.9111 129.1283 54.8132 31.7586 173.1898 75 I 5.4108 9.2188 127.2148 59.9923 40.3205 174.7555 76 T 5.4757 9.2240 122.7310 61.8800 71.8858 172.9817 77 L 5.2915 9.1081 125.6725 53.2242 45.3907 175.6924 78 S 4.6848 8.4704 115.3463 58.1277 66.1382 173.9471 79 T 4.5407 8.3116 117.4726 62.1815 69.9606 174.9988 80 H 3.9815 9.3724 126.9444 59.6571 30.3050 176.0368 81 E 4.0203 8.1143 118.5978 59.1016 29.8559 177.3979 82 C 4.2978 9.3103 111.0430 60.7060 30.7666 172.8358 83 A 4.2204 6.5071 127.1122 51.9501 18.3046 177.2705 84 G 3.9110 7.3302 107.1800 45.1249 0.0000 173.3740 85 L 4.8066 9.2114 124.8649 55.3133 43.1979 176.5312 86 S 4.9100 8.6722 116.2238 56.0360 66.8940 174.8474 87 E 3.9138 8.8821 118.9002 59.4343 29.0201 179.5080 88 R 3.7472 7.5080 117.8692 59.5931 30.0865 178.5358 89 D 4.3116 7.9436 117.6353 57.5172 40.8172 178.5936 90 I 3.4991 7.3625 119.5529 64.6277 37.0687 177.8568 91 N 4.2427 8.4178 117.1854 56.3843 38.0017 177.1882 92 L 3.8896 7.9679 121.0972 58.0690 42.1771 178.4086 93 A 3.7312 7.9638 121.1128 55.5115 18.0647 179.7699 94 S 4.0519 7.9437 113.0388 61.6330 62.9198 176.7851 95 F 3.9563 8.5042 123.3818 61.3556 39.2295 176.8271 96 I 3.7294 9.1267 120.1306 64.8544 36.7972 178.1326 97 E 4.2478 8.6432 117.8888 59.5681 29.4673 179.1031 98 Q 4.1106 8.5087 118.4206 58.9178 28.7572 179.1012 99 V 3.4647 7.5609 118.8647 66.0541 31.4631 177.7703 100 A 4.1076 8.3618 120.3939 55.3929 17.8214 179.7998 101 V 3.6152 7.4899 116.5197 65.9322 31.6842 178.0801 102 S 4.3045 8.0177 112.9190 61.2597 62.8532 174.3348 103 M 4.4086 7.7279 121.2767 56.9883 33.1162 175.8546 104 T 4.0997 7.8034 115.0707 62.1616 69.0298 174.4183 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 *6 H 8.44 4.61 0.00 2.95 2.97 0.00 7.18 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.50 4.71 0.00 1.89 1.90 0.00 3.05 0.00 0.00 3.88 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 8 L 8.47 4.51 0.00 1.56 1.61 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 S 10.03 4.67 0.00 3.73 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 10 A 8.54 3.77 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 11 E 7.99 3.88 0.00 2.04 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 2.36 2.39 0.00 12 E 9.20 4.70 0.00 2.02 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 2.22 0.00 13 R 8.97 3.88 0.00 1.76 1.98 0.00 3.24 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 14 D 8.23 4.39 0.00 2.72 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 15 Q 8.12 4.37 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 16 L 7.44 4.50 0.00 1.62 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.36 4.10 0.00 1.75 1.72 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.21 0.00 2.15 2.14 0.00 3.57 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 2.11 2.29 0.00 19 N 8.23 4.49 0.00 2.72 2.89 0.00 0.00 7.00 6.74 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 20 L 7.89 4.09 0.00 1.75 1.50 0.64 0.71 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 21 R 8.73 4.14 0.00 2.06 2.00 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 22 A 8.74 4.13 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 23 V 7.07 4.33 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 1.10 0.00 0.00 1.00 0.00 0.00 24 G 7.85 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 25 W 8.02 4.26 0.00 3.28 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 26 N 8.69 5.13 0.00 2.31 2.77 0.00 0.00 6.70 7.33 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 27 E 8.75 4.96 0.00 1.93 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 2.35 2.41 0.00 28 L 9.98 4.44 0.00 1.81 1.63 0.94 0.72 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 29 E 8.83 4.43 0.00 2.01 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 2.36 2.26 0.00 30 G 8.02 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.25 4.55 0.00 1.73 1.87 0.00 3.07 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 32 D 8.59 4.72 0.00 2.85 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 33 A 8.18 4.79 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 34 I 8.17 4.88 2.19 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.99 0.00 0.00 35 F 9.41 5.76 0.00 3.44 3.39 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 36 K 9.16 3.65 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.30 0.25 7.81 37 Q 8.03 4.85 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 38 F 10.87 4.57 0.00 3.10 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 0.00 0.00 0.00 0.00 39 H 7.99 5.09 0.00 2.97 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.02 4.86 0.00 2.92 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 41 K 9.01 4.15 0.00 1.81 1.94 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 D 7.41 4.34 0.00 2.88 2.83 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 43 F 8.28 3.94 0.00 2.77 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 44 N 8.10 4.12 0.00 2.79 2.89 0.00 0.00 7.24 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 45 R 8.55 3.73 0.00 1.92 1.80 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 46 A 7.28 2.88 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 47 F 7.95 3.49 0.00 2.15 2.67 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 0.00 48 G 7.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 4.03 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 3.73 0.00 1.11 1.29 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.30 0.00 51 T 7.75 3.63 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 52 R 7.80 3.97 0.00 1.81 2.07 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 53 V 7.68 3.72 2.26 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 0.71 0.00 0.00 0.38 0.00 0.00 54 A 8.54 4.09 1.46 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 0.00 0.00 55 L 7.92 3.90 0.00 1.68 1.68 0.92 0.90 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 56 Q 7.69 3.54 0.00 1.44 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.63 0.00 57 A 8.05 4.08 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 58 E 8.15 3.90 0.00 1.97 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 2.35 2.46 0.00 59 K 7.81 3.80 0.00 1.80 1.84 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 60 L 7.83 4.20 0.00 1.51 1.60 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.67 4.29 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.62 0.00 3.12 2.98 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.42 4.73 0.00 3.02 3.05 0.00 5.94 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.45 0.00 1.40 1.69 0.00 3.24 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 65 E 8.83 4.78 0.00 2.07 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 2.26 2.27 0.00 66 W 9.18 5.98 0.00 3.44 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 67 F 9.88 5.07 0.00 3.18 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 68 N 7.96 5.94 0.00 2.62 2.43 0.00 0.00 7.03 7.71 0.00 0.00 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 V 7.97 4.17 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 1.01 0.00 0.00 1.02 0.00 0.00 70 Y 9.01 3.70 0.00 3.05 2.53 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 0.00 0.00 0.00 0.00 71 N 9.35 4.70 0.00 3.05 2.58 0.00 0.00 5.74 7.20 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 72 K 8.19 5.24 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.39 7.81 73 V 9.42 4.96 2.54 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 1.31 0.00 0.00 1.12 0.00 0.00 74 H 9.91 5.28 0.00 3.55 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.22 5.41 2.35 0.00 0.00 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 1.81 1.23 1.25 0.00 0.00 76 T 9.22 5.48 4.41 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 1.37 0.00 0.00 77 L 9.11 5.29 0.00 1.62 1.75 0.84 1.08 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 78 S 8.47 4.68 0.00 4.00 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 79 T 8.31 4.54 4.44 0.00 0.00 0.00 0.00 0.00 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 80 H 9.37 3.98 0.00 3.09 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.11 4.02 0.00 2.00 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 0.00 2.31 2.37 0.00 82 C 9.31 4.30 0.00 3.10 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 83 A 6.51 4.22 1.39 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 84 G 7.33 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 0.00 0.00 0.00 85 L 9.21 4.81 0.00 1.63 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.67 4.91 0.00 3.75 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 87 E 8.88 3.91 0.00 1.98 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 2.36 2.37 0.00 88 R 7.51 3.75 0.00 1.50 1.54 0.00 3.05 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 89 D 7.94 4.31 0.00 2.62 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 90 I 7.36 3.50 1.97 0.00 0.00 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 1.65 0.97 0.82 0.00 0.00 91 N 8.42 4.24 0.00 2.81 2.82 0.00 0.00 6.77 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.97 3.89 0.00 1.70 1.61 0.86 0.91 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 93 A 7.96 3.73 0.64 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 94 S 7.94 4.05 0.00 4.03 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 95 F 8.50 3.96 0.00 3.22 3.29 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 0.00 96 I 9.13 3.73 2.38 0.00 0.00 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 1.66 1.05 1.17 0.00 0.00 97 E 8.64 4.25 0.00 2.17 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 3.04 2.83 0.00 98 Q 8.51 4.11 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 99 V 7.56 3.46 2.14 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 1.09 0.00 0.00 0.20 0.00 0.00 100 A 8.36 4.11 1.39 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 0.00 101 V 7.49 3.62 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 0.90 0.00 0.00 1.00 0.00 0.00 102 S 8.02 4.30 0.00 4.10 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 0.00 103 M 7.73 4.41 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 104 T 7.80 4.10 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 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.