NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3198 8.4449 121.4700 56.0716 30.1171 174.7267 3 R 4.5795 8.1458 124.3318 53.1416 34.1010 173.9857 4 K 3.9173 8.4798 119.6029 56.9706 33.4401 176.9588 5 I 4.1063 8.0838 115.9270 60.8429 38.9337 176.6578 6 S 4.5918 8.1035 119.1877 57.3294 61.6103 174.5722 7 D 4.6702 7.4232 123.3437 52.7896 41.5053 177.2968 8 E 4.2162 8.7133 118.7778 57.9626 29.8565 177.9163 9 E 4.3097 8.1687 116.6334 58.1012 30.5810 176.8085 10 C 4.1311 7.8209 120.5581 58.9156 32.7934 172.5206 11 P 4.4541 0.0000 0.0000 65.8293 30.6303 178.9583 12 V 3.6121 7.6144 117.0131 65.8543 31.7191 177.4827 13 R 4.0248 7.8940 116.7487 59.2202 29.9006 178.0550 14 K 4.1256 8.6134 118.6448 59.3943 32.1481 181.0542 15 S 4.1296 7.7570 114.8355 58.4919 62.0464 176.6355 *17 Q 4.2698 8.2334 120.4870 56.2386 30.5182 177.2459 18 I 4.2040 7.0637 114.0867 64.3451 36.8289 177.2502 19 F 4.9515 7.8814 116.7526 57.9314 39.2816 177.6445 20 A 3.7338 8.0777 123.4274 54.2653 18.4349 178.1929 21 G 3.8465 7.2105 104.5760 45.5271 0.0000 174.0075 22 K 3.8870 8.2254 118.4644 57.7656 33.1422 178.2015 23 W 4.9408 7.7054 118.1814 57.2077 30.9843 177.1628 24 T 4.0504 8.1850 115.7381 67.3176 67.9113 176.0798 25 L 4.0988 7.9305 119.7884 57.6229 41.6614 179.5138 26 L 4.2188 7.9977 118.7606 57.7309 41.6000 179.2480 27 I 3.7330 8.1603 119.9262 64.5696 37.0154 178.5253 28 I 3.7494 7.6978 120.0506 64.2503 36.7103 177.9999 29 F 4.3346 8.4574 120.8042 61.7327 39.2200 177.0460 30 Q 3.8424 8.1468 116.0560 58.8325 28.6882 178.2311 31 I 3.7008 8.0466 121.2077 64.1703 37.4433 176.2473 32 N 4.0544 8.6047 117.3482 55.3929 38.7488 174.9288 33 R 4.6469 8.6429 111.6890 55.4500 30.4478 174.9678 34 R 4.7110 7.5157 114.0663 54.6038 32.7169 173.5793 35 I 4.6494 8.1528 118.1783 59.9016 38.6565 175.5391 36 I 4.6480 8.5769 126.6154 58.9333 41.2999 174.8408 37 R 4.5551 8.4923 127.9871 56.3941 30.9069 176.8908 38 Y 4.3016 9.0478 124.0894 61.3181 38.7442 179.5055 39 G 3.6201 8.3257 105.6902 47.8394 0.0000 175.3163 40 E 3.9514 8.1254 120.5507 58.9087 29.3051 179.0062 41 L 3.8236 7.6868 119.3347 58.0461 42.3410 178.5438 42 K 3.7654 7.7852 119.7021 59.6115 31.8396 178.8810 43 R 3.9221 7.7244 116.6655 58.5309 30.0734 178.2390 44 A 4.2913 7.8397 119.3765 52.9964 19.8518 177.6660 45 I 4.5644 7.2212 118.3789 58.3479 37.5718 172.0950 46 P 4.2619 0.0000 0.0000 63.3634 32.1607 177.1535 47 G 4.0901 8.8967 110.3258 45.8125 0.0000 173.9013 48 I 3.0278 6.8384 120.9775 60.0406 38.0800 175.8977 49 S 4.3187 8.0983 122.2976 57.6368 64.2728 173.8302 50 E 4.0638 8.8155 121.9308 59.5062 29.6358 180.0917 51 K 4.0046 7.9367 116.6996 56.8958 31.9659 177.8222 *53 L 4.0666 8.1306 120.4135 54.4123 43.6689 178.7135 54 I 4.1757 7.5911 111.9084 63.6430 37.6042 177.8699 55 D 4.3836 8.0919 120.9024 57.1521 40.5691 178.2623 56 E 4.0405 8.1238 119.3753 59.3216 29.8112 178.5196 57 L 3.8791 8.5037 119.4054 57.6300 41.5603 179.5557 58 K 3.9613 8.3389 119.4821 59.4276 32.2166 178.2911 59 F 4.1766 8.6219 121.3947 61.7731 39.2185 177.2233 60 L 3.9501 8.3926 118.3536 57.8385 41.3586 179.3945 61 C 4.4501 8.2478 116.9692 62.8932 27.8983 176.4243 62 G 3.6195 8.0940 106.1278 47.2380 0.0000 174.9884 63 K 4.1770 7.6836 118.1838 55.7469 32.3539 177.2339 64 G 3.8747 7.6932 107.3253 46.5379 0.0000 174.6852 65 L 4.6020 8.1351 122.2401 55.1874 43.3280 176.7767 66 I 5.2055 7.7795 110.1735 58.7360 41.0254 175.0385 67 K 4.7653 9.3783 122.5864 55.0340 35.7171 174.5866 68 K 4.5327 8.5943 123.0174 54.6281 34.2875 175.0289 69 K 4.3255 8.8649 127.7554 54.7755 33.9115 175.2765 70 Q 4.4530 8.3289 126.9077 55.4726 30.5643 174.8065 71 Y 4.6126 8.7277 123.9747 54.8068 40.1459 174.3603 72 P 4.7935 0.0000 0.0000 62.4722 31.4843 174.7388 73 E 4.7420 7.7694 116.4578 55.3283 32.6561 174.5120 74 V 4.2945 8.0632 118.3087 60.4936 32.9960 174.0224 75 P 4.5036 0.0000 0.0000 61.8459 32.1161 174.0633 76 P 4.9911 0.0000 0.0000 62.8645 32.8711 175.2100 77 R 4.7682 8.6849 115.3896 55.2315 33.4434 173.9533 78 V 4.8812 8.4823 113.9331 59.8631 34.3826 174.4511 79 E 5.1899 8.9132 124.0665 54.7699 32.8302 174.5782 80 Y 5.4257 9.0955 121.0488 56.4073 41.6879 174.8779 81 S 5.0375 8.8053 116.1061 56.6829 67.4077 172.8114 82 L 4.8456 8.4586 120.4503 54.4631 42.3936 177.3419 83 T 4.1975 8.4727 112.9667 60.7126 70.0203 173.5310 84 P 4.2231 0.0000 0.0000 65.5425 31.4607 178.5026 85 L 4.2177 7.9602 118.8339 58.2529 42.1891 179.1320 86 G 4.1948 8.0266 106.9282 47.3964 0.0000 175.4249 87 E 4.1193 8.5977 120.8335 58.9516 29.2288 179.0163 88 K 4.2131 7.9514 117.0934 58.1903 32.4568 178.7105 89 V 3.8019 7.7741 119.0840 65.1242 31.4024 177.5829 90 L 4.0239 7.7195 119.1758 57.5457 41.3192 177.6172 91 P 4.2878 0.0000 0.0000 65.4905 31.2000 178.7195 92 I 3.6809 7.6635 118.6935 64.4117 36.9724 178.5542 93 I 3.6247 7.5756 120.1652 64.2128 36.9868 177.7486 94 D 4.4094 8.4196 120.2552 57.8150 40.7470 179.0996 95 E 4.0061 7.9345 118.7813 59.3428 29.4014 179.5291 96 I 3.7040 7.7140 119.8146 64.1206 36.9044 178.2668 97 A 3.8440 8.0390 121.0322 54.9786 18.3019 179.1209 98 K 3.9526 7.8969 116.8318 59.6024 32.5496 178.2798 99 F 4.2392 8.3558 120.8535 61.2286 39.2201 177.6747 100 G 3.5472 8.0708 101.6475 46.2285 0.0000 174.5523 *102 E 4.2093 8.0769 121.3409 55.3287 31.3742 176.4381 103 N 4.6978 7.8837 113.1723 52.4789 41.0163 174.4317 104 L 4.2504 7.8069 122.3913 54.6651 41.9406 176.0528 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 2 E 8.44 4.32 0.00 1.94 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 2.19 2.34 0.00 3 R 8.15 4.58 0.00 1.86 1.76 0.00 3.28 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 4 K 8.48 3.92 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 5 I 8.08 4.11 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 1.41 0.52 0.91 0.00 0.00 6 S 8.10 4.59 0.00 3.87 3.86 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 0.00 0.00 0.00 7 D 7.42 4.67 0.00 2.90 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 8 E 8.71 4.22 0.00 1.95 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 2.28 2.32 0.00 9 E 8.17 4.31 0.00 2.20 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 2.28 2.23 0.00 10 C 7.82 4.13 0.00 2.94 2.97 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 0.00 0.00 0.00 11 P 0.00 4.45 0.00 2.31 2.30 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 12 V 7.61 3.61 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 13 R 7.89 4.02 0.00 1.84 2.08 0.00 3.30 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 14 K 8.61 4.13 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.65 7.81 15 S 7.76 4.13 0.00 4.12 4.03 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 0.00 0.00 0.00 *17 Q 8.23 4.27 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 7.08 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 18 I 7.06 4.20 1.09 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.25 0.80 0.00 0.00 19 F 7.88 4.95 0.00 3.17 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 20 A 8.08 3.73 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 21 G 7.21 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 0.00 0.00 0.00 22 K 8.23 3.89 0.00 1.25 1.57 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.72 0.21 7.81 23 W 7.71 4.94 0.00 3.39 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 24 T 8.18 4.05 4.42 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 1.60 0.00 0.00 25 L 7.93 4.10 0.00 1.65 1.63 0.76 0.06 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 26 L 8.00 4.22 0.00 2.06 1.93 1.12 0.98 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 27 I 8.16 3.73 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.89 0.00 0.00 28 I 7.70 3.75 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.94 0.97 0.00 0.00 29 F 8.46 4.33 0.00 2.94 3.36 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 30 Q 8.15 3.84 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 31 I 8.05 3.70 1.90 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 1.45 0.78 0.96 0.00 0.00 32 N 8.60 4.05 0.00 2.77 2.18 0.00 0.00 7.23 8.27 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 33 R 8.64 4.65 0.00 1.81 1.90 0.00 3.21 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 34 R 7.52 4.71 0.00 1.80 1.87 0.00 3.12 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 35 I 8.15 4.65 1.90 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 1.25 0.91 1.02 0.00 0.00 36 I 8.58 4.65 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.96 0.98 0.00 0.00 37 R 8.49 4.56 0.00 1.96 1.91 0.00 3.20 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 38 Y 9.05 4.30 0.00 3.36 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 39 G 8.33 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.13 3.95 0.00 2.19 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 2.39 2.36 0.00 41 L 7.69 3.82 0.00 1.79 1.58 0.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.79 3.77 0.00 1.35 1.56 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.22 7.81 43 R 7.72 3.92 0.00 2.01 1.94 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 44 A 7.84 4.29 1.38 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 0.00 0.00 45 I 7.22 4.56 1.74 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 1.42 0.75 1.05 0.00 0.00 46 P 0.00 4.26 0.00 2.18 2.05 0.00 3.77 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 2.02 1.98 0.00 47 G 8.90 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 48 I 6.84 3.03 0.56 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 0.59 -0.36 0.58 0.00 0.00 49 S 8.10 4.32 0.00 3.99 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 0.00 50 E 8.82 4.06 0.00 2.09 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 2.42 2.47 0.00 51 K 7.94 4.00 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.44 7.81 *53 L 8.13 4.07 0.00 1.78 1.77 0.35 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.59 4.18 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 1.07 0.00 0.00 55 D 8.09 4.38 0.00 2.81 2.79 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 56 E 8.12 4.04 0.00 2.15 2.12 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 2.53 2.60 0.00 57 L 8.50 3.88 0.00 1.70 1.56 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.34 3.96 0.00 1.99 2.06 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.50 7.81 59 F 8.62 4.18 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.39 3.95 0.00 1.78 1.75 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.25 4.45 0.00 3.23 3.03 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 0.00 0.00 0.00 62 G 8.09 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.68 4.18 0.00 1.48 1.64 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.76 0.65 7.81 64 G 7.69 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 65 L 8.14 4.60 0.00 1.78 1.78 1.05 0.63 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 66 I 7.78 5.21 2.09 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 1.55 0.86 0.97 0.00 0.00 67 K 9.38 4.77 0.00 1.77 1.95 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 68 K 8.59 4.53 0.00 1.79 1.68 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 0.86 7.81 69 K 8.86 4.33 0.00 1.64 1.39 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.29 7.81 70 Q 8.33 4.45 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 71 Y 8.73 4.61 0.00 3.09 2.81 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 0.00 0.00 0.00 72 P 0.00 4.79 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 73 E 7.77 4.74 0.00 2.09 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 2.23 2.38 0.00 74 V 8.06 4.29 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 0.88 0.00 0.00 0.93 0.00 0.00 75 P 0.00 4.50 0.00 2.21 2.03 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 76 P 0.00 4.99 0.00 2.11 2.19 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 77 R 8.68 4.77 0.00 1.92 2.01 0.00 2.48 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 78 V 8.48 4.88 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 0.84 0.00 0.00 1.02 0.00 0.00 79 E 8.91 5.19 0.00 2.06 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 2.26 2.32 0.00 80 Y 9.10 5.43 0.00 2.90 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 81 S 8.81 5.04 0.00 3.91 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 82 L 8.46 4.85 0.00 1.59 1.67 1.02 0.97 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 83 T 8.47 4.20 4.26 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 1.21 0.00 0.00 84 P 0.00 4.22 0.00 2.05 2.18 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 85 L 7.96 4.22 0.00 1.77 1.83 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.03 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 0.00 0.00 0.00 87 E 8.60 4.12 0.00 2.22 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 2.36 2.52 0.00 88 K 7.95 4.21 0.00 1.91 1.91 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.62 7.81 89 V 7.77 3.80 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 0.68 0.00 0.00 1.18 0.00 0.00 90 L 7.72 4.02 0.00 1.81 1.76 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.29 0.00 2.15 2.11 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 92 I 7.66 3.68 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.49 0.72 0.00 0.00 93 I 7.58 3.62 2.02 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 1.54 0.45 0.90 0.00 0.00 94 D 8.42 4.41 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 95 E 7.93 4.01 0.00 2.09 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 2.50 2.49 0.00 96 I 7.71 3.70 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.80 0.00 0.00 97 A 8.04 3.84 1.22 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 0.00 0.00 98 K 7.90 3.95 0.00 1.84 2.07 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.45 7.81 99 F 8.36 4.24 0.00 3.21 3.19 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 0.00 100 G 8.07 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.21 0.00 1.89 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 2.16 2.43 0.00 103 N 7.88 4.70 0.00 1.73 2.36 0.00 0.00 6.89 7.14 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 0.00 104 L 7.81 4.25 0.00 1.74 1.52 0.96 1.16 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 * Residues marked with a * may have inaccurate shift predictions.