NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.3365 8.1227 123.5843 52.1373 21.0235 178.8126 16 K 4.0224 7.8500 117.6508 58.5236 32.0737 177.1124 17 L 4.1513 8.7429 120.3646 57.8857 41.4780 178.5769 18 D 4.3962 7.9383 118.7264 57.3833 40.3647 178.6662 19 E 3.9890 8.1184 118.5333 59.5266 29.3170 179.2042 20 L 4.1714 7.9459 118.0686 56.8871 41.7167 179.2159 21 K 3.2986 8.0207 120.1259 58.8346 31.9034 178.2808 22 Q 4.0359 7.5106 117.5655 57.9528 29.0834 177.1960 23 K 4.1701 7.2384 117.4943 56.5164 32.7037 176.4056 24 L 4.7851 6.6532 118.6180 52.4992 44.5673 176.9528 25 T 4.1586 8.3260 112.0086 60.8579 70.9933 175.6673 26 A 3.9361 8.4585 123.3164 55.4196 18.1953 179.9179 27 K 3.9699 7.9843 117.3070 59.8946 32.3445 178.8623 28 Q 3.5104 7.8031 118.2461 58.6763 28.5104 178.8786 29 I 3.6499 7.9359 121.0840 64.5927 37.1991 178.4001 30 Q 4.2612 8.6134 119.0129 58.9779 28.4594 178.8055 31 A 4.2044 8.6258 121.7845 55.3410 18.5736 179.4431 32 A 3.8079 8.4076 119.2313 55.6387 18.5141 179.4644 33 Y 4.0623 7.8374 114.6342 61.2322 37.9299 178.9666 34 L 4.1432 8.2251 119.9686 57.6912 41.8066 179.4301 35 L 4.0294 8.3099 119.2316 57.7264 41.5750 179.7912 36 V 3.6442 7.6249 119.3195 65.4111 31.2544 177.4438 37 E 3.4650 7.9135 118.7870 59.3603 29.1701 178.4411 38 N 4.3702 7.8531 115.9215 56.5695 39.4607 176.3621 39 E 4.1252 8.2535 118.4365 58.3884 29.7686 178.0630 40 L 4.2446 7.3780 118.2491 54.7416 42.2331 176.7116 41 M 4.1924 6.6737 117.3340 55.0199 32.7990 175.6055 42 E 4.0316 8.6021 122.9680 56.4933 30.6042 178.5069 43 S 4.3680 8.4264 119.3392 58.4659 61.1663 173.9114 *46 E 4.3761 7.7927 118.4760 56.9158 31.6586 177.3421 47 E 4.6259 7.9139 114.6078 55.7307 31.8418 174.2602 48 K 4.2711 7.9268 116.9809 56.6074 33.6747 176.9170 49 R 4.4983 8.2995 121.5299 55.5909 31.3518 176.5082 50 T 4.4217 7.7731 110.2909 60.8614 71.9062 175.6137 51 Q 4.1617 8.4743 119.6940 59.2617 28.7188 178.9132 52 D 4.4095 8.0224 119.5127 57.1498 40.8030 177.6391 53 E 4.4260 7.8588 115.5396 57.3076 29.4707 177.0426 54 M 4.6990 7.5565 117.4696 54.8921 32.8888 176.6815 55 A 4.5918 7.7934 122.9017 53.1513 20.4110 179.4360 56 N 4.2497 7.9933 114.6270 56.5809 38.5511 176.9818 57 E 3.9706 8.1032 118.6798 59.3670 29.8818 178.3428 58 L 4.2787 7.9754 117.3907 55.1292 42.3617 176.6434 59 G 3.7868 7.9140 106.2174 46.5676 0.0000 172.8631 60 I 4.6486 7.7112 110.4012 58.1458 41.1821 174.5742 61 N 4.4817 8.2550 119.3590 53.0296 39.5620 176.1268 62 R 3.9201 8.4441 120.8475 59.6723 29.4023 179.1301 63 T 4.0527 8.0650 116.3505 66.2071 68.4105 177.1712 64 T 3.4833 7.5284 117.8951 66.3724 68.4054 176.5002 65 L 3.4135 7.2735 121.6825 57.6034 42.1159 178.5955 66 W 4.0458 7.9347 128.1667 60.3831 30.5999 177.9166 67 E 3.7721 8.4085 118.6961 58.9308 28.8510 179.2097 68 W 4.1338 7.8655 119.0007 59.9827 28.8272 178.8286 69 R 4.2208 7.7608 116.6079 58.6767 29.5131 178.2404 70 T 4.2206 7.1861 107.2251 61.7735 70.2482 175.2124 71 K 4.2144 7.8409 118.0501 55.7276 34.2060 176.0531 72 N 4.6768 7.5665 116.5834 52.1018 39.1334 174.7796 73 Q 3.9741 8.4986 130.0170 59.1832 29.2491 177.6241 74 D 4.3541 8.1466 119.7107 57.0484 40.8781 178.2276 75 F 3.9726 8.7789 121.3792 61.3318 39.5462 177.1555 76 I 3.7161 8.1885 119.3489 64.4347 36.8390 178.3259 77 A 3.9581 7.9634 121.4715 55.0099 18.1249 179.5017 78 F 3.9873 8.0880 119.1853 61.3159 39.5044 177.1529 79 K 3.3494 7.9774 119.5442 59.4912 31.9251 178.8431 80 S 4.0104 7.7783 115.0471 61.5958 62.6596 176.5054 81 E 3.8624 7.7282 120.9707 59.2962 29.0532 179.5717 82 V 3.2254 7.4542 118.3190 65.6365 31.4757 177.9682 83 A 3.9173 7.8938 120.5627 55.1582 18.2051 179.2949 84 D 4.2728 7.8573 116.9377 57.5439 40.9054 178.8383 85 S 4.0590 8.2195 113.7954 61.3593 62.1158 175.7949 86 F 3.9283 8.2124 122.1300 61.5395 39.4902 176.8316 87 L 4.1790 8.1063 117.9956 57.7246 40.9140 179.2680 88 A 3.9395 8.1447 120.8050 55.1862 18.1049 179.1358 89 E 3.9428 7.8712 116.0751 58.2168 29.9257 177.9582 90 K 4.2154 7.4313 117.6235 56.4638 32.0128 178.0723 91 R 3.5524 7.3423 121.4717 59.6341 29.8870 178.4241 92 E 3.8851 7.8712 116.4266 59.3578 29.4575 178.9207 93 Q 3.9918 7.8842 118.7527 58.5987 28.8549 178.4674 94 V 3.5938 7.8070 119.2944 66.3866 31.5977 177.6052 95 Y 4.4815 8.1949 116.7650 61.2921 37.6590 178.7801 96 S 4.1677 8.3249 114.0025 61.4046 62.5478 176.4356 97 K 4.0151 7.9407 121.2208 59.1802 31.8954 178.9253 98 L 4.0058 8.1063 120.6378 58.7330 41.9592 179.0941 99 M 4.1150 8.3047 118.4428 58.4145 31.9358 178.7029 100 Q 4.0021 8.2854 118.2655 59.1305 28.9274 179.0696 101 L 4.0615 8.1089 119.8524 57.7020 41.3724 179.7021 102 I 3.7299 7.5441 118.8640 63.9663 37.2137 177.6934 103 L 4.4852 7.9631 117.0868 54.6599 41.0693 177.0365 104 G 3.9144 7.7628 109.2022 44.0968 0.0000 172.5082 105 P 4.2230 0.0000 0.0000 64.4735 31.6468 176.8112 106 Q 4.5318 7.1310 117.8945 52.6288 28.7587 172.2688 107 P 4.3396 0.0000 0.0000 62.8143 32.4432 176.1080 108 S 4.4812 8.6812 118.1573 57.0343 62.6236 174.9315 109 V 3.6421 8.3903 128.3279 65.8064 31.2977 177.6400 110 K 3.9128 8.0624 118.9365 59.3840 32.0226 178.4720 111 A 4.0548 8.3381 121.3267 55.4211 18.2847 179.4495 112 M 4.0186 8.0898 117.2664 58.5134 31.9202 178.7256 113 Q 3.9926 8.3155 119.8490 59.2760 29.2600 178.3996 114 L 3.9737 7.9934 119.9779 57.8201 41.7895 178.6907 115 Y 3.9497 8.3034 119.6724 61.2104 38.6545 178.3897 116 M 4.3850 8.3262 119.4280 58.5744 32.0658 178.8288 117 Q 3.9734 8.4865 118.6378 58.7722 28.6067 178.4590 118 R 3.6251 7.6538 119.0162 58.8714 29.9045 177.6110 119 F 4.7408 7.1408 112.8527 55.9589 39.5613 175.7303 120 G 3.9814 7.7605 106.0704 46.7885 0.0000 175.0852 121 L 4.3419 8.3339 119.3045 54.8087 42.4457 177.0769 122 L 4.6824 7.7445 119.0183 53.0859 43.2406 175.6536 123 T 4.6086 8.4145 119.8595 61.7019 70.8864 173.1422 124 D 4.8555 8.5781 125.3439 52.3791 42.6572 175.6006 125 K 4.4802 8.5030 125.2397 54.7169 33.5776 175.5079 126 K 4.5478 8.4752 124.5206 54.4363 35.0897 175.5246 127 V 4.2821 8.4297 122.8499 61.0894 32.9171 174.4858 128 I 4.5120 8.3036 127.9254 59.4350 39.2487 174.8290 129 E 4.7221 8.5968 123.9804 54.3384 32.2001 176.2810 130 G 3.7452 8.5784 109.8689 45.9104 0.0000 173.5415 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 15 A 8.12 4.34 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 16 K 7.85 4.02 0.00 1.91 1.81 0.00 2.08 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.45 7.81 17 L 8.74 4.15 0.00 1.84 1.88 0.89 1.10 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 18 D 7.94 4.40 0.00 2.88 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 19 E 8.12 3.99 0.00 2.20 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 2.40 2.46 0.00 20 L 7.95 4.17 0.00 1.93 1.82 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.02 3.30 0.00 2.11 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 0.87 7.81 22 Q 7.51 4.04 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 23 K 7.24 4.17 0.00 1.56 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.57 7.81 24 L 6.65 4.79 0.00 1.33 1.25 0.38 1.11 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 25 T 8.33 4.16 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 1.19 0.00 0.00 26 A 8.46 3.94 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 3.97 0.00 1.98 1.93 0.00 1.89 0.00 0.00 1.98 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.81 2.04 7.81 28 Q 7.80 3.51 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 29 I 7.94 3.65 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.69 1.16 0.00 0.00 30 Q 8.61 4.26 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 31 A 8.63 4.20 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 0.00 0.00 0.00 0.00 0.00 32 A 8.41 3.81 1.05 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 0.00 0.00 0.00 0.00 0.00 33 Y 7.84 4.06 0.00 3.42 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 34 L 8.23 4.14 0.00 1.97 1.80 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.31 4.03 0.00 1.90 1.78 1.29 1.13 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 36 V 7.62 3.64 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 0.93 0.00 0.00 0.82 0.00 0.00 37 E 7.91 3.47 0.00 2.31 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 0.00 2.38 2.57 0.00 38 N 7.85 4.37 0.00 2.92 2.95 0.00 0.00 7.32 7.69 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 39 E 8.25 4.13 0.00 2.20 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 0.00 2.45 2.23 0.00 40 L 7.38 4.24 0.00 0.92 1.45 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 M 6.67 4.19 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 42 E 8.60 4.03 0.00 2.01 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 2.33 2.33 0.00 43 S 8.43 4.37 0.00 3.97 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 *46 E 7.79 4.38 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 2.19 2.26 0.00 47 E 7.91 4.63 0.00 1.90 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 2.20 2.31 0.00 48 K 7.93 4.27 0.00 1.91 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 49 R 8.30 4.50 0.00 1.84 1.92 0.00 3.23 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 50 T 7.77 4.42 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 1.22 0.00 0.00 51 Q 8.47 4.16 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 52 D 8.02 4.41 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 53 E 7.86 4.43 0.00 2.26 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 2.35 2.35 0.00 54 M 7.56 4.70 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 55 A 7.79 4.59 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 56 N 7.99 4.25 0.00 2.79 2.89 0.00 0.00 6.80 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 57 E 8.10 3.97 0.00 1.99 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 2.34 2.44 0.00 58 L 7.98 4.28 0.00 1.73 1.84 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.91 3.79 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 0.00 0.00 0.00 60 I 7.71 4.65 1.66 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.97 0.00 0.00 61 N 8.26 4.48 0.00 2.68 2.61 0.00 0.00 6.63 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 62 R 8.44 3.92 0.00 2.03 2.13 0.00 3.19 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 63 T 8.06 4.05 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 1.17 0.00 0.00 64 T 7.53 3.48 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 0.37 0.00 0.00 65 L 7.27 3.41 0.00 1.49 1.54 1.04 1.07 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 66 W 7.93 4.05 0.00 3.43 3.28 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 67 E 8.41 3.77 0.00 2.16 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 2.66 2.57 0.00 68 W 7.87 4.13 0.00 2.78 1.74 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 69 R 7.76 4.22 0.00 1.82 1.95 0.00 3.20 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 70 T 7.19 4.22 3.70 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 0.56 0.00 0.00 71 K 7.84 4.21 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.05 1.59 7.81 72 N 7.57 4.68 0.00 2.86 2.99 0.00 0.00 6.66 7.30 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 73 Q 8.50 3.97 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 74 D 8.15 4.35 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 75 F 8.78 3.97 0.00 3.11 3.33 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 76 I 8.19 3.72 1.90 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 1.66 1.28 0.91 0.00 0.00 77 A 7.96 3.96 1.36 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 0.00 0.00 78 F 8.09 3.99 0.00 3.04 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 79 K 7.98 3.35 0.00 1.35 1.70 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.24 7.81 80 S 7.78 4.01 0.00 3.99 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 81 E 7.73 3.86 0.00 1.80 1.83 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 2.41 2.41 0.00 82 V 7.45 3.23 1.54 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 0.68 0.00 0.00 -0.57 0.00 0.00 83 A 7.89 3.92 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 84 D 7.86 4.27 0.00 2.86 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 85 S 8.22 4.06 0.00 3.86 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 86 F 8.21 3.93 0.00 3.17 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 87 L 8.11 4.18 0.00 1.98 1.72 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.14 3.94 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 89 E 7.87 3.94 0.00 1.99 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 2.21 2.37 0.00 90 K 7.43 4.22 0.00 1.83 1.69 0.00 1.56 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.36 1.45 7.81 91 R 7.34 3.55 0.00 1.80 1.64 0.00 2.87 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 92 E 7.87 3.89 0.00 2.22 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 0.00 2.32 2.33 0.00 93 Q 7.88 3.99 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 94 V 7.81 3.59 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 1.09 0.00 0.00 0.92 0.00 0.00 95 Y 8.19 4.48 0.00 3.16 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 96 S 8.32 4.17 0.00 4.03 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 97 K 7.94 4.02 0.00 1.93 1.88 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.61 7.81 98 L 8.11 4.01 0.00 1.88 1.99 1.03 0.88 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 99 M 8.30 4.11 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.92 0.00 100 Q 8.29 4.00 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 101 L 8.11 4.06 0.00 1.88 1.73 0.94 0.69 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 0.00 102 I 7.54 3.73 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.81 0.00 0.00 103 L 7.96 4.49 0.00 1.59 1.69 0.90 1.07 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 0.00 104 G 7.76 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 0.00 105 P 0.00 4.22 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 106 Q 7.13 4.53 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 107 P 0.00 4.34 0.00 2.02 2.17 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 108 S 8.68 4.48 0.00 3.87 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 0.00 109 V 8.39 3.64 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 1.07 0.00 0.00 0.93 0.00 0.00 110 K 8.06 3.91 0.00 1.92 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.59 7.81 111 A 8.34 4.05 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 112 M 8.09 4.02 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 113 Q 8.32 3.99 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 114 L 7.99 3.97 0.00 1.97 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.30 3.95 0.00 3.12 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 0.00 116 M 8.33 4.39 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.76 0.00 117 Q 8.49 3.97 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 118 R 7.65 3.63 0.00 1.48 1.46 0.00 2.97 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 119 F 7.14 4.74 0.00 3.03 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 0.00 120 G 7.76 3.98 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 0.00 0.00 0.00 121 L 8.33 4.34 0.00 1.77 1.78 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.74 4.68 0.00 1.63 1.60 0.94 0.85 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 0.00 123 T 8.41 4.61 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 1.22 0.00 0.00 124 D 8.58 4.86 0.00 2.65 2.58 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 0.00 125 K 8.50 4.48 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 126 K 8.48 4.55 0.00 1.71 1.66 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.44 7.81 127 V 8.43 4.28 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 0.84 0.00 0.00 0.93 0.00 0.00 128 I 8.30 4.51 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 0.77 0.91 0.00 0.00 129 E 8.60 4.72 0.00 1.92 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 2.20 2.26 0.00 130 G 8.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.