NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.4963 8.3033 118.6844 56.5392 31.8749 174.3978 6 E 4.8538 8.7374 124.3376 54.0861 31.4917 173.8165 7 A 4.5643 8.6785 122.0514 51.2795 23.5634 175.1089 8 S 5.0563 8.5609 115.4795 56.9071 64.1124 174.3412 9 S 2.7900 8.2368 119.6062 60.6545 63.4928 176.6849 10 T 4.0693 7.8733 116.6786 65.8482 68.6163 175.4558 11 G 3.8242 7.1029 108.4228 45.7583 0.0000 173.5151 12 R 4.1952 8.5380 120.6437 57.4312 30.4917 176.5417 13 N 4.9587 8.0498 114.0936 52.7708 37.8754 173.9751 14 F 4.9612 8.3207 121.3180 58.2592 40.6296 175.8750 15 N 4.4085 8.6702 129.3365 51.0987 37.1010 174.9393 16 V 2.9306 7.1816 122.3998 65.7193 32.5658 177.5157 17 E 3.9000 8.1546 119.5357 59.4120 29.2142 178.5515 18 K 4.2144 7.7368 115.1457 57.2056 32.2017 178.2071 19 I 4.4801 8.6730 114.2380 61.0311 38.3714 175.6980 20 N 4.4687 7.2571 119.8948 54.9742 39.7412 174.2417 21 G 3.6800 8.8769 108.7833 43.6677 0.0000 171.6283 22 E 4.4632 8.2158 119.9833 56.1589 30.1888 177.0252 23 W 5.3009 8.4269 125.1733 55.7665 33.8674 173.8854 24 H 5.0362 9.1950 115.5609 55.2350 33.2310 173.7777 25 T 4.5740 8.9236 119.2666 63.4899 68.3752 174.3412 26 I 4.2450 8.2691 127.6190 62.9534 39.0732 176.1567 27 I 5.0443 7.2688 120.8654 59.6276 41.9096 174.2404 28 L 5.3231 8.6678 124.1840 53.1182 46.0243 175.4663 29 A 5.6831 8.7941 122.8454 50.6405 22.9801 175.1028 30 S 5.0469 8.4968 114.9352 56.8296 65.8740 172.8172 31 D 4.4920 8.6558 120.8566 55.2999 42.0283 176.6645 32 K 4.4057 7.8291 118.6639 53.5832 31.8191 176.0837 33 R 3.9082 8.3214 123.0297 59.3621 30.3224 177.5982 34 E 3.9712 8.1654 116.4466 59.3099 29.3979 179.3610 35 K 4.0232 7.8790 119.7359 59.3423 31.8290 179.1475 36 I 3.9727 7.6557 118.9578 62.7304 37.4383 176.3081 37 E 4.3248 7.7067 119.1014 55.7460 30.3703 177.5906 38 D 4.6504 8.3003 122.0820 58.2142 40.8173 180.3942 39 N 5.0402 7.9749 114.0699 51.7759 38.6633 176.9704 40 G 4.3708 8.9292 108.8081 45.2432 0.0000 174.4031 41 N 4.7449 8.7075 116.8070 52.6038 37.7299 175.3967 42 F 4.2321 8.0883 115.9961 57.6418 40.0495 176.5262 43 R 4.1600 7.6359 122.6781 55.2207 28.5455 175.4650 44 L 4.3844 7.0237 118.4622 53.0565 44.3387 176.8281 45 F 4.5791 8.6108 121.3888 55.4170 40.3596 175.1040 46 L 4.4319 8.6646 126.7861 56.0783 42.4071 175.6306 47 E 4.7321 9.1046 124.3537 57.4658 32.0788 175.7683 48 Q 5.0453 7.5119 114.6387 55.3876 32.1889 172.4052 49 I 4.7560 8.9420 121.6235 59.8491 39.9976 174.1523 50 H 5.0755 8.8572 127.6167 54.2056 31.3554 173.5006 51 V 4.0898 8.3887 126.6987 62.7924 32.1780 175.0949 52 L 4.7672 9.2764 130.5170 52.8880 44.3126 176.5287 *53 E 3.8888 8.3544 114.0615 59.2237 29.7683 175.1632 54 N 5.0222 8.0698 113.6602 53.1077 41.1909 173.5352 55 S 5.5805 7.8296 115.0333 56.8247 67.3980 172.0138 56 L 4.8937 8.5734 120.9655 54.2835 45.7902 175.2783 57 V 4.7702 8.8845 126.3557 61.1393 34.0824 174.1515 58 L 4.8227 8.3842 127.4639 52.9104 44.1625 175.3351 59 K 4.7522 8.7367 124.4979 54.8620 34.6887 176.0087 60 F 5.4314 9.5123 123.2026 56.6296 43.6798 172.9454 61 H 5.3830 9.0588 113.0874 55.4700 32.3514 172.2560 62 T 5.0891 10.0901 113.7737 60.5036 71.0389 173.2808 63 V 4.9920 8.4293 126.5673 61.8634 33.9334 175.7236 64 R 4.3298 8.7675 128.0264 55.3412 29.3765 171.8687 65 D 4.3080 8.8433 127.0009 55.3141 37.6767 174.7840 66 E 3.7571 7.9566 113.4970 56.8021 28.6879 174.3064 67 E 4.5812 7.7488 120.3379 54.9165 31.4036 174.1634 68 C 5.3448 8.6678 123.5823 55.9007 40.9929 173.2771 69 S 4.7791 9.1681 117.3563 56.8785 66.6240 173.3960 70 E 4.3915 8.9686 124.5485 56.3874 30.3359 176.1040 71 L 4.7321 8.8690 124.7044 54.0376 46.1678 174.2981 72 S 5.2537 8.7893 120.9969 57.1841 66.4220 173.0664 73 M 4.9927 8.9395 122.2419 53.6350 36.9978 174.3212 74 V 4.6325 8.4633 119.3749 61.3212 33.8701 174.3830 75 A 4.9770 8.8241 130.4621 51.0709 20.9221 175.5503 76 D 5.3751 9.4151 121.3742 51.9129 44.8484 175.8166 77 K 3.5290 8.4381 120.3729 57.0830 32.3235 177.3963 78 T 4.2978 7.9382 116.8646 60.5228 70.0966 174.8289 79 E 3.9314 8.8870 122.4574 59.4680 29.4835 178.4029 80 K 4.1309 7.7467 121.7874 53.1507 32.1333 180.7130 81 A 3.9677 8.4390 127.9156 52.8370 18.3185 177.7511 82 G 4.2659 8.8659 109.7052 46.1398 0.0000 172.1759 83 E 5.2811 7.1507 120.2810 54.1889 32.4154 174.1528 84 Y 5.1801 7.6364 121.2020 57.0478 43.1876 173.2409 85 S 5.1347 8.9903 114.7524 57.2767 67.2751 173.1734 86 V 4.8360 10.1211 117.3605 61.0169 34.8470 172.6168 87 T 4.7950 8.6636 114.0287 60.9602 69.7854 173.9756 88 Y 4.2781 9.7471 128.6386 57.4197 41.8065 174.1605 89 D 4.0871 9.3687 129.5951 55.2405 40.0472 171.3899 90 G 3.8714 7.9151 104.9712 44.0785 0.0000 170.4009 91 F 5.1031 8.3818 120.6679 56.7937 41.1091 175.6698 92 N 5.7929 8.6388 123.1859 50.4139 42.2234 173.5196 93 T 5.0319 8.1744 112.5595 60.0734 72.3798 172.6556 94 F 5.5762 9.0322 118.4711 56.0348 41.6444 172.7974 95 T 5.1055 8.6616 108.8559 59.0462 73.0252 172.7233 96 I 4.5499 8.2675 120.9779 58.9009 38.8705 174.8329 97 P 4.3177 0.0000 0.0000 64.9945 32.2719 177.2410 98 K 4.6911 7.7886 119.9362 55.4745 35.7252 174.7685 99 T 4.5361 8.6828 120.9554 60.3487 71.3134 173.1270 100 D 5.4621 7.3159 122.8262 51.4045 40.1869 177.5057 101 Y 3.8589 8.1662 118.6483 60.8019 37.7297 171.7435 102 D 4.7049 10.6100 114.9057 54.0606 40.6222 176.1169 103 N 5.1408 8.3956 116.3089 54.6521 43.3015 173.5582 104 F 5.8856 8.9014 111.9879 55.2495 42.2089 173.5129 105 L 4.6748 9.0886 120.5398 53.7445 45.5589 174.4536 106 M 5.3109 8.8947 124.8551 53.5420 34.8039 174.9126 107 A 5.0313 9.3408 124.4694 50.4307 23.5056 174.7316 108 H 4.8844 8.7799 117.3812 54.7779 32.8809 171.9056 109 L 5.2284 8.7889 127.8741 53.2024 46.1376 175.2722 110 I 4.5434 8.5780 124.3930 59.4698 40.2240 174.0163 111 N 5.0820 8.3639 127.4829 51.7760 39.7970 173.6544 112 E 5.0051 9.5205 126.1371 54.4283 32.7870 174.7823 113 K 4.6833 8.6340 123.7051 55.5474 36.1526 176.3897 114 D 4.3805 9.8945 122.4494 55.4782 38.4551 175.2042 115 G 4.0223 8.2758 105.5981 45.7380 0.0000 173.7322 116 E 4.3980 8.3059 121.5622 55.7692 30.5658 174.9905 117 T 5.5179 8.2519 120.4368 61.0444 72.8007 173.0031 118 F 4.8498 8.1432 115.7776 56.1237 40.9947 172.3056 119 Q 4.9113 8.6243 122.1352 54.6529 31.3954 173.9009 120 L 5.0130 8.5483 127.0817 53.9191 45.8663 174.6507 121 M 5.5179 8.6285 124.9986 52.8621 36.0262 174.8872 122 G 4.0582 8.5024 106.5145 44.4965 0.0000 170.9688 123 L 4.6344 7.8098 124.0787 52.9472 44.2402 174.7812 124 Y 4.9495 8.9599 124.2505 56.2739 41.5482 175.0081 125 G 4.8847 9.4078 109.1817 44.4230 0.0000 173.7894 126 R 3.8917 8.8622 118.4560 57.8671 30.4376 177.0334 127 E 4.7370 7.9993 117.1617 53.5356 33.4237 174.5729 128 P 4.4784 0.0000 0.0000 64.5446 31.5244 176.0565 129 D 4.7507 7.6893 116.5843 52.7030 44.3112 173.5994 130 L 4.9016 8.0649 122.8212 52.0293 45.5639 176.8629 131 S 4.4444 8.2218 115.0461 58.1399 65.0405 175.3050 132 S 4.2338 8.4941 117.0105 61.3171 62.7210 176.2015 133 D 4.3395 8.0378 122.6393 56.9405 39.8918 178.3843 134 I 3.6411 7.1260 118.2795 64.0186 36.6534 178.1501 135 K 4.2592 7.9205 119.2759 59.6932 31.8511 178.9480 136 E 4.2146 8.4436 119.6131 59.2496 29.3847 178.7855 137 R 3.8407 7.7751 117.5933 59.3138 30.3056 177.8974 138 F 4.3337 9.5534 120.5105 61.2187 39.1998 176.7969 139 A 3.6958 9.2876 120.4868 55.3948 18.0080 179.6979 140 Q 4.0097 8.1208 115.1069 58.5595 29.0042 178.6638 141 L 4.1006 7.5432 122.0012 58.1820 42.1012 178.5762 142 C 4.1146 7.5601 116.2158 62.7662 27.9412 175.5754 143 E 4.0916 7.6825 120.8356 58.3626 29.0039 177.5852 144 E 4.3017 7.5847 115.3187 57.0756 29.9176 176.1737 145 H 4.5399 7.8997 112.8834 55.9251 30.1712 174.4008 146 G 3.8670 7.9678 107.8403 45.5416 0.0000 173.1165 147 I 4.3398 7.8621 121.1436 59.1753 38.7206 175.6723 148 L 4.3510 8.1303 124.9587 53.5760 42.7112 178.0092 149 R 3.8221 8.6286 121.8975 59.6689 30.0169 178.3343 150 E 4.3593 8.0535 111.3934 56.5134 30.3960 181.1851 151 N 4.9036 8.3075 114.7624 54.2022 40.5079 174.4162 152 I 4.8629 7.6822 120.1394 59.9304 38.9778 175.0895 153 I 4.5145 9.1217 127.8087 59.4706 40.3347 173.8995 154 D 4.9650 8.8466 127.0665 52.9391 42.0409 175.7990 155 L 4.6535 8.8792 126.1026 54.3092 42.3838 178.5512 156 S 4.1411 8.9872 117.6706 61.6642 62.6467 175.8969 157 N 5.0009 8.2238 114.2209 51.5591 38.5329 177.3553 158 A 4.6850 8.1645 120.0015 52.8016 20.2370 177.5167 159 N 3.8589 8.1690 111.8728 52.8534 37.9015 174.9200 160 R 4.5634 7.4373 118.2483 54.8051 32.5702 176.4187 161 C 4.3421 8.6656 118.7761 57.0959 41.4077 173.5324 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 E 8.30 4.50 0.00 1.68 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 2.21 1.92 0.00 6 E 8.74 4.85 0.00 1.96 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 0.00 2.31 2.46 0.00 7 A 8.68 4.56 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.56 5.06 0.00 3.84 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 9 S 8.24 2.79 0.00 3.48 2.92 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 10 T 7.87 4.07 4.16 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 1.18 0.00 0.00 11 G 7.10 3.82 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 0.00 0.00 0.00 12 R 8.54 4.20 0.00 1.79 1.99 0.00 3.31 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 13 N 8.05 4.96 0.00 2.94 2.93 0.00 0.00 5.95 7.43 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 14 F 8.32 4.96 0.00 3.20 3.11 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 15 N 8.67 4.41 0.00 2.47 1.98 0.00 0.00 6.36 8.16 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 16 V 7.18 2.93 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 1.09 0.00 0.00 0.91 0.00 0.00 17 E 8.15 3.90 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 18 K 7.74 4.21 0.00 1.08 1.71 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 1.07 7.81 19 I 8.67 4.48 2.00 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 1.76 0.64 1.29 0.00 0.00 20 N 7.26 4.47 0.00 2.94 2.79 0.00 0.00 7.41 8.12 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 21 G 8.88 3.68 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 0.00 0.00 0.00 22 E 8.22 4.46 0.00 1.89 1.69 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 2.16 2.26 0.00 23 W 8.43 5.30 0.00 3.14 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 24 H 9.19 5.04 0.00 3.41 3.28 0.00 5.61 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 25 T 8.92 4.57 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 0.92 0.00 0.00 26 I 8.27 4.24 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.89 0.00 0.00 27 I 7.27 5.04 1.44 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 1.23 0.50 1.23 0.00 0.00 28 L 8.67 5.32 0.00 1.54 1.47 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.79 5.68 1.29 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 0.00 0.00 30 S 8.50 5.05 0.00 3.87 3.75 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 31 D 8.66 4.49 0.00 2.87 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 32 K 7.83 4.41 0.00 1.46 1.48 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.42 7.81 33 R 8.32 3.91 0.00 1.82 2.11 0.00 3.22 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 34 E 8.17 3.97 0.00 2.13 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 0.00 2.26 2.27 0.00 35 K 7.88 4.02 0.00 1.53 1.60 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.29 1.22 7.81 36 I 7.66 3.97 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.92 0.00 0.00 37 E 7.71 4.32 0.00 2.03 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 0.00 2.41 2.33 0.00 38 D 8.30 4.65 0.00 2.67 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 39 N 7.97 5.04 0.00 2.71 2.65 0.00 0.00 6.60 7.51 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 40 G 8.93 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 0.00 0.00 0.00 0.00 41 N 8.71 4.74 0.00 2.80 2.91 0.00 0.00 5.99 7.43 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 42 F 8.09 4.23 0.00 3.29 3.32 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 43 R 7.64 4.16 0.00 1.89 1.94 0.00 3.31 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 44 L 7.02 4.38 0.00 1.11 0.80 -0.27 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.61 4.58 0.00 2.83 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 46 L 8.66 4.43 0.00 1.80 1.76 0.42 0.12 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 47 E 9.10 4.73 0.00 2.13 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 0.00 2.31 2.33 0.00 48 Q 7.51 5.05 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 49 I 8.94 4.76 2.19 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 0.93 0.72 0.90 0.00 0.00 50 H 8.86 5.08 0.00 3.20 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.39 4.09 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 0.86 0.00 0.00 1.02 0.00 0.00 52 L 9.28 4.77 0.00 1.75 1.59 0.94 0.88 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 *53 E 8.35 3.89 0.00 1.98 1.85 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 2.24 1.95 0.00 54 N 8.07 5.02 0.00 2.64 2.86 0.00 0.00 6.70 7.43 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 55 S 7.83 5.58 0.00 3.79 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 56 L 8.57 4.89 0.00 1.66 1.38 0.88 0.61 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 57 V 8.88 4.77 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 0.86 0.00 0.00 0.93 0.00 0.00 58 L 8.38 4.82 0.00 1.05 0.61 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.75 4.58 0.00 2.04 1.80 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 2.23 2.26 0.00 68 C 8.67 5.34 0.00 2.80 2.85 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 69 S 9.17 4.78 0.00 3.70 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 70 E 8.97 4.39 0.00 1.89 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 2.35 2.28 0.00 71 L 8.87 4.73 0.00 1.78 1.57 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.79 5.25 0.00 3.76 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 73 M 8.94 4.99 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 74 V 8.46 4.63 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 0.90 0.00 0.00 0.96 0.00 0.00 75 A 8.82 4.98 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 76 D 9.42 5.38 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.44 3.53 0.00 1.57 1.57 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.91 7.81 78 T 7.94 4.30 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 1.24 0.00 0.00 79 E 8.89 3.93 0.00 1.96 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 0.00 2.29 2.28 0.00 80 K 7.75 4.13 0.00 1.64 1.70 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.25 7.81 81 A 8.44 3.97 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 82 G 8.87 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 0.00 0.00 0.00 0.00 83 E 7.15 5.28 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 84 Y 7.64 5.18 0.00 1.43 2.39 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 85 S 8.99 5.13 0.00 3.76 3.69 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 86 V 10.12 4.84 2.25 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 0.76 0.00 0.00 1.09 0.00 0.00 87 T 8.66 4.79 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 1.43 0.00 0.00 88 Y 9.75 4.28 0.00 2.90 2.94 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 89 D 9.37 4.09 0.00 2.26 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 90 G 7.92 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 91 F 8.38 5.10 0.00 3.27 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 92 N 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0.00 0.00 0.00 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 Y 8.17 3.86 0.00 3.10 3.10 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 0.00 102 D 10.61 4.70 0.00 2.80 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 0.00 103 N 8.40 5.14 0.00 3.04 3.09 0.00 0.00 6.69 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 0.00 104 F 8.90 5.89 0.00 3.20 3.18 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 0.00 105 L 9.09 4.67 0.00 0.27 0.30 0.25 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.89 5.31 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 107 A 9.34 5.03 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 0.00 108 H 8.78 4.88 0.00 3.21 3.18 0.00 5.53 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.79 5.23 0.00 1.73 1.39 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.58 4.54 1.83 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 1.09 1.00 0.84 0.00 0.00 111 N 8.36 5.08 0.00 1.55 1.42 0.00 0.00 6.81 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 9.52 5.01 0.00 1.99 1.90 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 2.24 2.27 0.00 113 K 8.63 4.68 0.00 1.93 1.96 0.00 1.42 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.55 7.81 114 D 9.89 4.38 0.00 2.82 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 0.00 115 G 8.28 4.02 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 0.00 0.00 0.00 116 E 8.31 4.40 0.00 1.96 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 2.32 2.44 0.00 117 T 8.25 5.52 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 0.00 118 F 8.14 4.85 0.00 2.97 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 0.00 119 Q 8.62 4.91 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 120 L 8.55 5.01 0.00 1.78 1.40 1.10 0.92 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 0.00 121 M 8.63 5.52 0.00 2.23 2.05 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 2.48 2.26 0.00 122 G 8.50 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 0.00 123 L 7.81 4.63 0.00 0.27 0.62 0.79 0.73 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 0.00 124 Y 8.96 4.95 0.00 2.66 2.94 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 0.00 125 G 9.41 4.88 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 0.00 0.00 0.00 126 R 8.86 3.89 0.00 1.60 1.71 0.00 2.68 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 127 E 8.00 4.74 0.00 1.94 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 2.26 2.24 0.00 128 P 0.00 4.48 0.00 1.99 2.16 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 129 D 7.69 4.75 0.00 2.51 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 0.00 130 L 8.06 4.90 0.00 1.63 1.54 0.95 1.07 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 0.00 131 S 8.22 4.44 0.00 4.05 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 0.00 132 S 8.49 4.23 0.00 4.07 4.17 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 0.00 133 D 8.04 4.34 0.00 2.69 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 0.00 134 I 7.13 3.64 1.92 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 0.96 0.66 0.68 0.00 0.00 135 K 7.92 4.26 0.00 1.97 1.92 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.83 7.81 136 E 8.44 4.21 0.00 2.17 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 2.29 2.34 0.00 137 R 7.78 3.84 0.00 1.81 2.13 0.00 3.28 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 138 F 9.55 4.33 0.00 3.08 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 0.00 139 A 9.29 3.70 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 0.00 140 Q 8.12 4.01 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 141 L 7.54 4.10 0.00 1.77 1.58 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.56 4.11 0.00 2.91 2.92 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 0.00 143 E 7.68 4.09 0.00 2.02 2.01 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 2.26 2.14 0.00 144 E 7.58 4.30 0.00 2.09 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 0.00 2.22 2.28 0.00 145 H 7.90 4.54 0.00 3.28 3.32 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.97 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 0.00 147 I 7.86 4.34 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.95 0.00 0.00 148 L 8.13 4.35 0.00 1.73 1.55 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.63 3.82 0.00 1.78 2.00 0.00 3.18 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 150 E 8.05 4.36 0.00 1.98 1.84 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 2.19 1.89 0.00 151 N 8.31 4.90 0.00 2.92 3.01 0.00 0.00 6.84 8.20 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 0.00 152 I 7.68 4.86 1.88 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 1.30 0.61 1.03 0.00 0.00 153 I 9.12 4.51 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.94 0.00 0.00 154 D 8.85 4.96 0.00 2.70 2.60 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 0.00 0.00 0.00 0.00 155 L 8.88 4.65 0.00 1.94 2.03 1.24 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.99 4.14 0.00 3.95 4.38 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 0.00 157 N 8.22 5.00 0.00 2.72 2.66 0.00 0.00 6.39 7.46 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 0.00 158 A 8.16 4.69 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 0.00 159 N 8.17 3.86 0.00 3.24 3.55 0.00 0.00 5.93 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 0.00 160 R 7.44 4.56 0.00 1.75 1.83 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 161 C 8.67 4.34 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.