NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4909 8.4345 119.0064 58.9060 65.4970 174.4092 *3 H 4.0971 8.0132 119.7314 54.6781 28.7279 175.7221 4 K 4.6878 8.7413 124.6832 54.6381 33.4886 176.3289 5 V 4.3864 9.1358 125.5376 61.2891 34.6559 174.4952 6 T 5.4710 8.4176 116.4040 58.5602 72.1716 174.0544 7 K 3.7922 8.5740 120.5263 59.5387 32.2663 178.6929 8 A 3.9618 7.5596 121.2050 55.0881 18.4849 177.6493 9 H 4.6966 8.3802 111.7967 55.3706 28.9530 174.2078 10 N 3.7230 7.9565 118.9933 55.6259 38.6920 175.0972 11 G 3.9040 8.9984 115.2940 44.9013 0.0000 173.2945 12 A 4.2702 8.2863 122.3235 52.3076 19.7970 176.4922 13 T 5.0882 8.4593 116.7396 61.9187 70.6872 173.8945 14 L 4.7210 9.2434 126.9945 53.1823 44.2913 175.7521 15 T 4.7711 8.5132 121.0180 63.3003 69.2317 174.5108 16 V 4.7722 8.9295 119.0953 59.3378 36.7095 174.9918 17 A 4.5785 9.2775 125.8007 51.0284 19.3936 177.8727 18 V 3.9786 8.1313 120.8132 63.3181 31.7575 176.9299 19 G 3.9510 9.7743 113.0525 45.0565 0.0000 172.9669 20 E 4.2588 7.9664 122.0621 55.5132 30.9334 175.2664 21 L 4.6501 8.5037 129.1606 54.8276 43.2053 175.7166 22 V 4.3872 9.2475 126.7298 60.9977 34.5726 173.5784 23 E 5.0323 9.1473 129.2335 54.8115 31.5455 174.2753 24 I 4.7026 9.1209 128.9887 59.8593 39.6049 174.7262 25 Q 4.9357 9.3206 127.1909 53.9958 31.4261 174.6619 26 L 4.6952 8.8998 123.8955 51.7592 45.5573 174.5205 27 P 4.8765 0.0000 0.0000 63.1480 32.2327 175.8528 28 S 4.7611 9.2949 117.5414 57.4375 66.7494 172.5443 29 N 5.3608 9.7998 126.1626 50.9837 40.3287 172.8859 30 P 4.3234 0.0000 0.0000 64.9798 31.6711 178.5773 31 T 4.1369 8.1718 108.8060 63.4945 68.7948 175.1134 32 T 4.2939 8.1329 111.8414 61.6092 69.3925 176.1432 33 G 4.1948 8.3282 110.9523 45.5532 0.0000 173.4437 34 F 4.0496 8.1587 118.0350 57.4041 39.8933 174.4559 35 A 4.5707 8.1925 121.8178 50.9597 23.3185 175.0022 36 W 5.0925 9.4079 119.9810 56.5211 30.1496 176.2919 37 Y 4.9918 9.1563 120.8882 56.0377 42.5105 174.5496 38 F 4.5067 9.7423 123.5664 58.2219 40.3132 175.5496 39 E 4.4666 9.0623 121.9776 56.9649 28.8982 174.2325 40 G 4.8302 8.4828 113.4055 43.8397 0.0000 171.5921 41 G 4.2195 8.2593 107.7232 44.6528 0.0000 171.0800 42 T 4.9931 7.7348 108.6865 59.7039 72.3812 174.5990 43 K 4.8818 8.8926 118.8669 57.8605 32.6317 177.5921 44 E 4.3404 8.2883 118.9194 55.4116 30.0788 176.6109 45 S 3.4759 8.5380 116.0257 58.0414 62.6700 172.9270 46 P 4.0661 0.0000 0.0000 65.3834 31.4585 176.0260 47 N 4.2125 7.3029 113.6502 52.6933 40.9143 174.7247 48 E 4.2478 8.9630 126.5316 58.6270 29.7987 178.9325 49 S 4.2438 7.7992 112.4953 60.8417 63.6224 175.6350 50 M 4.2691 7.9391 121.2200 57.1874 32.3782 175.5116 51 F 5.4638 7.4892 112.7561 55.8529 41.6729 173.2295 52 T 4.5434 9.3277 112.1275 60.9254 71.2594 173.6822 53 V 5.2017 8.2500 121.3905 61.6440 34.6217 174.0274 54 E 5.1280 9.5690 126.8427 54.7040 33.3086 174.5403 55 N 5.3322 8.4591 117.6041 51.6111 40.9062 173.4050 56 K 4.4657 8.8407 120.4194 55.3575 36.2862 173.7851 57 Y 5.0037 8.4388 127.4611 56.3152 41.0691 173.8928 58 F 4.5346 8.5232 125.4385 54.5689 41.3221 173.5696 59 P 4.7112 0.0000 0.0000 61.4219 32.4559 174.5054 60 P 4.3957 0.0000 0.0000 62.6445 31.8316 177.0479 61 D 4.4109 8.8560 121.1512 57.6813 40.8585 178.4430 62 S 4.1232 8.2126 114.5008 59.7524 63.2659 175.0087 63 K 3.9414 7.8953 120.6538 55.1318 29.7519 179.7988 64 L 4.3977 7.6041 119.0554 54.6445 42.3168 176.9065 65 L 4.1804 8.3761 123.2763 56.2554 42.0075 178.0320 66 G 3.9479 8.9361 109.8874 45.5322 0.0000 173.5580 67 A 4.2955 7.7089 122.9262 51.3097 19.2388 177.8818 68 G 3.9734 8.6381 110.7370 45.5921 0.0000 174.0815 69 G 4.6112 9.1052 109.5430 44.9297 0.0000 172.2015 70 T 5.2487 8.4710 118.2592 62.0676 73.2045 173.1841 71 E 4.9655 9.6735 126.5209 55.9034 31.5452 174.8775 72 H 5.3724 9.5209 121.5702 54.1033 31.6210 173.2756 73 F 5.0581 9.4912 122.4818 56.0476 41.6089 174.2609 74 H 5.3090 9.7600 122.7205 54.6735 30.1804 174.2976 75 V 4.9490 9.3128 124.7233 61.3347 34.2456 174.3617 76 T 5.2871 8.8531 124.4712 60.5909 71.1280 173.6685 77 V 4.2377 8.4667 127.4886 63.0870 32.3344 176.2509 78 K 4.3612 9.5865 125.4364 55.9228 34.2439 176.0219 79 A 4.8913 7.9073 120.2735 49.4424 22.0462 175.8452 80 A 4.1513 8.7586 122.6045 52.8344 19.6217 176.7744 81 G 3.7604 7.9878 105.8911 43.9621 0.0000 172.3166 82 T 5.0185 8.1380 116.6454 62.2364 70.2017 174.0413 83 H 5.0454 9.3551 124.7148 53.8614 31.1302 173.9170 84 A 4.3355 8.8961 126.0217 51.5789 19.4751 176.7103 85 V 4.2100 8.8970 124.1849 61.5956 33.1291 174.3908 86 N 5.3396 8.9775 126.4163 51.6107 40.9605 173.7750 87 L 5.2453 9.2989 124.2177 53.1693 45.5103 176.0136 88 T 5.2231 9.4835 117.8194 62.1024 72.9658 172.6334 89 Y 4.3952 8.6521 127.9096 56.6674 39.0474 174.2855 90 M 4.6223 8.7499 123.9661 53.7273 35.6351 174.3882 91 R 3.5593 7.1617 118.5236 53.6521 30.3054 176.1978 92 P 3.5971 0.0000 0.0000 64.7290 31.2753 177.2333 93 W 4.4222 6.5554 113.7670 57.4673 28.8210 176.6537 94 T 4.0706 7.2573 115.9305 63.5294 69.2482 175.7247 95 G 3.6830 7.4829 108.0514 43.7088 0.0000 170.6724 96 P 4.5539 0.0000 0.0000 62.3773 32.5292 175.2403 97 S 4.5706 9.0000 113.0532 57.4620 65.9375 173.9757 98 H 4.0668 8.9506 118.9244 59.5188 29.4508 175.7137 99 D 4.7336 7.9477 115.8139 54.1812 41.0202 176.5329 100 S 4.3177 7.8076 116.9158 58.0963 63.5969 173.6476 101 E 4.2389 8.7665 125.9636 56.4115 30.4303 175.5886 102 R 5.4733 8.7681 124.8075 54.5634 34.0400 174.7384 103 F 5.0530 9.6586 123.2516 56.6523 43.1581 173.2202 104 I 4.8366 8.3423 125.6321 58.9709 41.5192 174.1061 105 V 4.4341 8.0796 127.4488 59.9511 35.0296 173.7248 106 Y 4.9235 9.0221 120.8689 56.5352 40.2628 174.6098 107 L 4.8270 9.4069 127.8740 53.8472 43.7153 176.8598 108 K 4.8966 9.3924 130.0057 53.9686 32.6100 173.6075 109 A 5.4992 8.9847 128.2823 50.6227 19.3013 176.5106 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 S 8.43 4.49 0.00 3.41 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 *3 H 8.01 4.10 0.00 2.68 3.01 0.00 7.14 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.74 4.69 0.00 1.57 1.70 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.32 7.81 5 V 9.14 4.39 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 1.17 0.00 0.00 0.85 0.00 0.00 6 T 8.42 5.47 4.14 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 1.15 0.00 0.00 7 K 8.57 3.79 0.00 1.70 1.81 0.00 1.66 0.00 0.00 1.91 0.00 0.00 3.26 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.54 1.58 7.81 8 A 7.56 3.96 1.13 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 0.00 0.00 9 H 8.38 4.70 0.00 3.43 3.34 0.00 5.65 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 10 N 7.96 3.72 0.00 2.99 2.76 0.00 0.00 7.27 7.59 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 11 G 9.00 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 0.00 0.00 0.00 12 A 8.29 4.27 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 13 T 8.46 5.09 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 1.23 0.00 0.00 14 L 9.24 4.72 0.00 1.57 1.55 0.90 0.73 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 15 T 8.51 4.77 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 1.26 0.00 0.00 16 V 8.93 4.77 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 0.76 0.00 0.00 0.95 0.00 0.00 17 A 9.28 4.58 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 18 V 8.13 3.98 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 0.76 0.00 0.00 0.99 0.00 0.00 19 G 9.77 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 0.00 0.00 0.00 20 E 7.97 4.26 0.00 2.08 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 2.29 2.25 0.00 21 L 8.50 4.65 0.00 1.66 1.52 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.25 4.39 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 0.91 0.00 0.00 0.91 0.00 0.00 23 E 9.15 5.03 0.00 2.04 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 2.12 2.37 0.00 24 I 9.12 4.70 1.83 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 1.22 0.45 0.35 0.00 0.00 25 Q 9.32 4.94 0.00 1.68 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 1.70 2.06 0.00 26 L 8.90 4.70 0.00 0.66 0.50 -0.92 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.88 0.00 1.92 1.99 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 28 S 9.29 4.76 0.00 4.40 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 29 N 9.80 5.36 0.00 2.87 2.80 0.00 0.00 6.66 8.35 0.00 0.00 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 P 0.00 4.32 0.00 2.09 1.90 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.06 0.00 31 T 8.17 4.14 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 1.29 0.00 0.00 32 T 8.13 4.29 4.48 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 1.31 0.00 0.00 33 G 8.33 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 34 F 8.16 4.05 0.00 2.17 1.45 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 35 A 8.19 4.57 1.06 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 36 W 9.41 5.09 0.00 3.46 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 37 Y 9.16 4.99 0.00 2.97 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 38 F 9.74 4.51 0.00 3.35 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 39 E 9.06 4.47 0.00 1.77 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 2.26 2.14 0.00 40 G 8.48 4.83 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 0.00 0.00 0.00 41 G 8.26 4.22 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 0.00 42 T 7.73 4.99 4.40 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 1.27 0.00 0.00 43 K 8.89 4.88 0.00 1.99 2.16 0.00 1.92 0.00 0.00 2.03 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.55 7.81 44 E 8.29 4.34 0.00 2.04 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 2.41 2.36 0.00 45 S 8.54 3.48 0.00 3.68 3.58 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 46 P 0.00 4.07 0.00 1.83 2.01 0.00 2.84 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 47 N 7.30 4.21 0.00 2.51 2.37 0.00 0.00 7.07 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.96 4.25 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 2.25 2.18 0.00 49 S 7.80 4.24 0.00 3.93 3.97 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 50 M 7.94 4.27 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 51 F 7.49 5.46 0.00 3.09 2.98 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 0.00 0.00 0.00 52 T 9.33 4.54 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 1.34 0.00 0.00 53 V 8.25 5.20 2.35 0.00 0.00 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 0.00 0.00 1.39 0.00 0.00 54 E 9.57 5.13 0.00 2.03 1.82 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 2.26 2.32 0.00 55 N 8.46 5.33 0.00 1.75 2.31 0.00 0.00 5.78 7.13 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 56 K 8.84 4.47 0.00 1.63 1.50 0.00 1.38 0.00 0.00 0.90 0.00 0.00 2.42 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.50 1.05 7.81 57 Y 8.44 5.00 0.00 3.02 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 58 F 8.52 4.53 0.00 2.71 2.71 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 59 P 0.00 4.71 0.00 2.12 2.23 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 60 P 0.00 4.40 0.00 2.27 2.52 0.00 3.82 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 61 D 8.86 4.41 0.00 2.68 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 62 S 8.21 4.12 0.00 3.99 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 63 K 7.90 3.94 0.00 1.94 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.26 7.81 64 L 7.60 4.40 0.00 1.77 1.63 0.93 0.42 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 65 L 8.38 4.18 0.00 1.65 1.63 0.94 0.97 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 66 G 8.94 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 0.00 0.00 0.00 67 A 7.71 4.30 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 68 G 8.64 3.97 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 0.00 0.00 0.00 69 G 9.11 4.61 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 0.00 0.00 0.00 70 T 8.47 5.25 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 71 E 9.67 4.97 0.00 2.14 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 2.56 2.69 0.00 72 H 9.52 5.37 0.00 3.23 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.49 5.06 0.00 2.91 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 74 H 9.76 5.31 0.00 3.22 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.31 4.95 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 0.74 0.00 0.00 1.06 0.00 0.00 76 T 8.85 5.29 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 1.29 0.00 0.00 77 V 8.47 4.24 2.11 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 1.07 0.00 0.00 0.92 0.00 0.00 78 K 9.59 4.36 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.64 7.81 79 A 7.91 4.89 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 80 A 8.76 4.15 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 81 G 7.99 3.76 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 0.00 0.00 0.00 82 T 8.14 5.02 4.23 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 1.26 0.00 0.00 83 H 9.36 5.05 0.00 3.03 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.90 4.34 1.30 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 0.00 0.00 85 V 8.90 4.21 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 0.98 0.00 0.00 0.38 0.00 0.00 86 N 8.98 5.34 0.00 2.80 2.79 0.00 0.00 6.84 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 87 L 9.30 5.25 0.00 1.50 1.66 -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.48 5.22 4.33 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 1.28 0.00 0.00 89 Y 8.65 4.40 0.00 1.43 2.34 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 90 M 8.75 4.62 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.72 0.00 91 R 7.16 3.56 0.00 0.72 0.66 0.00 2.84 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 92 P 0.00 3.60 0.00 1.84 1.18 0.00 2.39 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 1.87 1.80 0.00 93 W 6.56 4.42 0.00 3.38 3.37 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 94 T 7.26 4.07 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 1.09 0.00 0.00 95 G 7.48 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 96 P 0.00 4.55 0.00 2.19 2.05 0.00 3.71 0.00 0.00 3.64 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 97 S 9.00 4.57 0.00 3.94 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 98 H 8.95 4.07 0.00 3.12 3.42 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.95 4.73 0.00 2.75 2.70 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 0.00 100 S 7.81 4.32 0.00 3.97 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 0.00 101 E 8.77 4.24 0.00 2.05 1.73 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 2.70 2.46 0.00 102 R 8.77 5.47 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 103 F 9.66 5.05 0.00 2.75 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 0.00 104 I 8.34 4.84 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 1.04 0.66 0.00 0.00 105 V 8.08 4.43 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 0.69 0.00 0.00 0.96 0.00 0.00 106 Y 9.02 4.92 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 0.00 107 L 9.41 4.83 0.00 1.52 1.59 0.72 0.95 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 0.00 108 K 9.39 4.90 0.00 1.40 1.73 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.26 7.81 109 A 8.98 5.50 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 * Residues marked with a * may have inaccurate shift predictions.