NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8692 8.2833 119.1710 53.0433 40.2238 175.3246 2 L 4.1481 8.4894 124.9790 57.3560 41.6485 178.5262 3 L 4.0500 9.3728 120.8224 57.4229 41.8461 179.2147 4 Q 4.0301 7.9268 117.7696 58.9640 28.8024 177.9122 5 F 4.4425 8.1632 121.2492 61.7579 39.1743 176.9159 6 N 4.0277 8.2642 114.9736 55.8286 38.3843 177.1430 7 K 4.1140 7.8562 120.7918 59.7313 32.3600 178.6761 8 M 4.0696 8.3354 119.3440 58.6713 31.9447 178.5823 9 I 3.5415 7.7983 120.0613 64.5177 37.1479 178.3401 10 K 4.8584 7.7007 121.5605 58.7030 31.8481 178.1526 *12 E 4.2711 7.9847 117.8123 55.6207 31.3643 175.8210 13 E 4.3986 8.3253 117.1912 57.3596 30.4489 176.8815 14 T 4.2341 7.8787 106.7755 60.6628 70.0311 175.6839 15 G 3.7935 8.2125 109.6097 45.7121 0.0000 172.9788 16 K 4.2815 7.9198 119.4376 54.2921 34.7464 174.4581 17 N 5.2398 8.3469 116.3609 51.3562 40.9917 174.6345 18 A 4.1840 8.6615 126.5902 55.1080 18.5470 176.9303 19 I 4.7034 7.5312 115.1433 59.1478 38.8450 174.1343 20 P 4.4771 0.0000 0.0000 65.9265 32.0065 179.4219 21 F 4.3846 6.2989 115.6391 61.3703 39.1364 175.9639 22 Y 4.6213 8.5852 115.5846 57.0787 40.5590 176.1145 23 A 3.7864 7.8091 123.5330 54.5527 18.5191 177.6444 24 F 5.1906 7.3598 114.3028 56.3124 42.6198 173.0121 25 Y 5.0940 8.6964 125.5089 56.9094 42.7074 175.4753 26 G 3.4212 7.0169 114.1383 47.3739 0.0000 173.6886 27 C 4.9421 10.7083 121.9714 56.6017 36.6780 174.6006 28 Y 4.6079 8.2543 116.8527 57.1886 40.0564 175.5165 29 C 4.6591 7.9357 115.4558 57.9893 40.8100 175.0173 30 G 4.1933 7.4986 111.5949 45.2473 0.0000 173.0129 31 G 4.0706 8.7016 108.6146 45.5783 0.0000 176.6186 32 G 3.7321 9.5704 118.9880 44.6368 0.0000 173.8226 33 G 3.6620 8.9854 110.9456 44.9907 0.0000 171.4667 34 N 4.8287 7.1192 114.4646 53.6464 43.0318 175.0634 35 G 4.0783 8.3005 103.9362 44.3553 0.0000 174.0527 36 K 4.6379 8.1629 124.7284 53.5335 34.6567 173.6852 37 P 4.2062 0.0000 0.0000 62.6168 31.8268 176.1777 38 K 3.7527 8.8612 123.5682 58.7223 32.5352 175.6680 39 D 4.3606 7.6668 115.7031 51.6452 41.5768 175.7983 40 G 4.1806 8.9080 106.3712 48.3223 0.0000 175.0607 41 T 4.1946 7.9695 117.6822 66.2590 68.5685 176.0127 42 D 4.5209 8.5133 119.6473 57.4265 41.1212 178.2097 43 R 3.9483 8.8386 120.0161 59.4302 29.8990 177.9141 44 C 4.0905 8.0878 116.3929 60.2430 38.4362 175.4286 45 C 4.3534 8.3608 117.5459 59.9194 37.8481 175.5296 46 F 3.9617 8.3897 122.2915 61.4248 38.9004 177.2014 47 V 2.9934 7.8229 117.6806 66.0816 31.2540 177.4552 48 H 3.7521 8.2117 118.0127 59.2727 29.7097 176.8765 49 D 4.2094 8.6030 121.1395 57.6264 40.4266 178.2383 50 C 4.0984 7.7615 116.2764 59.9466 35.8634 174.9374 51 C 4.1836 8.2219 120.3188 59.9145 38.8525 174.9587 52 Y 4.4007 7.8464 118.1529 61.3312 37.3365 178.9821 53 G 3.8745 7.7664 104.9839 48.3497 0.0000 175.5554 54 R 4.0701 7.7675 118.7282 57.5050 31.3733 177.6526 55 L 4.5453 7.8095 120.5818 52.9901 40.3772 176.6257 56 V 3.6146 7.4723 114.9714 64.4600 32.4307 178.0222 *59 N 4.7166 7.8645 115.1547 53.1701 40.1851 174.1626 *61 C 5.3163 7.8623 113.9991 57.2839 41.7884 172.9162 *67 N 4.6866 8.4715 120.6394 53.0037 38.6602 174.1330 68 T 3.5164 7.8678 111.9477 63.7034 69.0770 176.1978 69 K 4.2421 7.9556 120.0411 58.1713 33.6920 178.4876 70 S 4.2291 9.4481 115.7213 60.1760 63.7006 174.2204 71 D 4.2612 7.6160 117.7037 54.9690 41.1473 176.1073 72 I 4.2302 8.1490 127.0610 60.3057 38.4531 174.3448 73 Y 4.9736 8.4480 121.6391 55.0938 41.3478 174.4267 74 S 5.0509 8.6636 114.9889 57.3281 64.9465 172.6949 75 Y 5.3372 8.3700 120.5653 56.4737 41.3423 173.7937 76 S 4.5621 8.8343 115.9190 58.0687 67.2920 173.2491 77 L 4.9912 8.0359 113.5970 56.0776 43.3437 173.5982 78 K 4.2842 7.9334 123.2779 56.3348 34.2047 176.3163 79 E 3.7992 9.7235 124.4087 57.6398 26.7759 176.1692 80 G 3.8816 8.0123 104.6801 46.0608 0.0000 172.0471 81 Y 4.5060 8.6557 123.4215 55.8752 40.4298 174.5887 82 I 4.3841 7.8906 128.3367 61.4074 37.9302 175.3687 83 T 4.6627 8.4023 123.1593 62.1256 70.9212 173.1349 84 C 5.1567 8.6865 123.0789 55.3587 41.8694 174.8974 85 G 3.9400 8.8867 114.1039 45.7401 0.0000 172.9523 86 K 4.5294 8.6393 119.1857 56.0678 35.0553 177.0931 *88 G 4.3228 8.1365 106.8710 45.9270 0.0000 174.4729 89 T 4.6557 8.3017 113.8428 59.0653 72.3749 174.3106 90 N 4.4130 8.6582 120.5518 57.4261 38.7808 177.5811 91 C 4.3124 8.1405 116.8278 60.2003 37.2337 175.9241 92 E 4.0124 7.6578 119.6894 59.3562 28.9491 179.3405 93 E 3.8357 9.1805 119.6767 59.6310 29.6184 178.8656 94 Q 3.9080 8.6590 118.7595 59.4920 28.7647 179.3509 95 I 3.6842 8.0534 120.4738 64.7264 37.1529 177.5104 96 C 3.0239 7.6988 118.8026 59.5506 41.6334 175.5535 97 E 3.5967 8.1380 120.0448 59.4418 28.6861 178.9845 98 C 4.1891 7.9785 116.6681 59.8284 38.8092 175.5728 99 D 3.5133 8.0134 120.8620 57.1816 40.3629 179.1498 100 R 3.8135 7.8771 116.6022 59.3283 29.2623 178.8840 101 V 3.3966 7.2291 117.9065 65.5059 31.3878 177.8699 102 A 3.4616 7.5499 120.2138 54.7424 18.1995 179.1300 103 A 4.0855 8.4314 119.4124 55.7084 18.4098 179.5804 104 E 3.8354 8.4263 117.7986 59.3837 29.4901 177.9606 105 C 4.0773 7.8139 117.9873 59.7179 42.4590 175.3635 106 F 4.4697 8.1003 119.6199 60.6529 38.2798 177.6383 107 R 3.9813 7.8198 118.1083 59.3690 29.6582 178.2754 108 R 4.0286 8.0153 115.9684 57.5474 30.4144 177.2095 109 N 4.9290 7.9600 115.2778 52.9619 39.9653 176.4695 110 L 4.0312 7.5399 121.4677 57.9537 41.5889 178.6719 111 D 4.7602 8.1454 116.5856 55.3270 39.2423 176.7738 112 T 4.7350 8.2469 109.0470 61.3946 70.1382 173.2654 113 Y 4.1076 8.1845 123.4055 58.3952 39.3305 174.6944 114 N 5.1705 9.7892 126.2276 51.6624 40.5165 174.3882 115 N 4.5189 9.2994 124.5504 56.5886 38.8075 177.7075 116 G 3.8544 8.0358 105.1166 48.3991 0.0000 173.5011 117 Y 4.5688 7.7023 116.5114 58.5970 38.3371 175.1900 118 M 4.0959 7.9882 121.1591 56.3595 32.6807 175.5513 119 F 3.8408 8.0954 123.4625 58.5671 37.2613 175.1502 120 Y 4.1885 8.1570 121.5337 56.8527 38.4464 174.9761 121 R 3.8526 8.2935 126.2051 57.1979 30.6161 177.2529 122 D 4.5854 8.6092 120.5712 56.0709 41.4385 178.2096 *124 S 4.4485 7.9127 112.9438 58.2052 64.6857 175.2253 125 K 4.0946 7.4566 117.4031 58.3945 32.3966 176.7176 126 C 4.7385 7.6093 119.1132 56.2860 39.1825 176.0866 127 T 4.2906 7.3003 112.2622 60.1708 67.4295 173.5932 128 E 4.7964 7.4534 126.8234 55.4845 35.4503 174.8982 129 T 4.2311 8.4742 117.7444 63.3397 68.8730 175.0523 130 S 4.3952 8.9061 122.1975 59.1536 63.3226 174.6334 131 E 3.9847 9.3929 126.2251 55.8476 30.0328 175.8156 132 E 4.4758 8.4091 125.5320 55.4760 30.9094 176.8684 133 C 4.4582 8.7270 120.5079 57.3657 41.3459 173.6584 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 1 N 8.28 4.87 0.00 2.74 2.64 0.00 0.00 7.08 5.78 0.00 0.00 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 L 8.49 4.15 0.00 1.81 1.82 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.37 4.05 0.00 1.79 1.73 0.93 0.96 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 4 Q 7.93 4.03 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 5 F 8.16 4.44 0.00 3.47 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 6 N 8.26 4.03 0.00 2.92 2.82 0.00 0.00 7.03 8.11 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 7 K 7.86 4.11 0.00 2.14 1.96 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 M 8.34 4.07 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 9 I 7.80 3.54 1.75 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.24 0.41 0.00 0.00 10 K 7.70 4.86 0.00 1.82 2.01 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.35 7.81 *12 E 7.98 4.27 0.00 2.23 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 0.00 2.25 2.37 0.00 13 E 8.33 4.40 0.00 1.99 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 2.47 2.36 0.00 14 T 7.88 4.23 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 1.20 0.00 0.00 15 G 8.21 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 16 K 7.92 4.28 0.00 1.64 1.58 0.00 0.69 0.00 0.00 1.19 0.00 0.00 2.67 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 N 8.35 5.24 0.00 2.96 2.78 0.00 0.00 6.77 7.35 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 18 A 8.66 4.18 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 19 I 7.53 4.70 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.97 0.00 0.00 20 P 0.00 4.48 0.00 2.19 2.56 0.00 3.41 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 1.31 1.86 0.00 21 F 6.30 4.38 0.00 3.03 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 0.00 0.00 0.00 0.00 22 Y 8.59 4.62 0.00 2.67 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 23 A 7.81 3.79 0.20 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 0.00 0.00 0.00 24 F 7.36 5.19 0.00 3.14 3.05 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 25 Y 8.70 5.09 0.00 2.89 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 26 G 7.02 3.42 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 0.00 0.00 0.00 0.00 27 C 10.71 4.94 0.00 2.64 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 28 Y 8.25 4.61 0.00 3.37 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 29 C 7.94 4.66 0.00 3.46 3.42 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 0.00 30 G 7.50 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 31 G 8.70 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.57 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 0.00 0.00 0.00 33 G 8.99 3.66 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 0.00 0.00 0.00 34 N 7.12 4.83 0.00 2.63 2.68 0.00 0.00 7.56 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 35 G 8.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.16 4.64 0.00 1.62 1.63 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.30 7.81 37 P 0.00 4.21 0.00 1.95 1.93 0.00 3.57 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 38 K 8.86 3.75 0.00 1.37 0.83 0.00 1.20 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.38 7.81 39 D 7.67 4.36 0.00 2.89 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 40 G 8.91 4.18 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 0.00 0.00 0.00 41 T 7.97 4.19 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 0.97 0.00 0.00 42 D 8.51 4.52 0.00 2.99 2.91 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 43 R 8.84 3.95 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 44 C 8.09 4.09 0.00 2.91 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 45 C 8.36 4.35 0.00 3.37 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 3.96 0.00 2.52 3.01 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 47 V 7.82 2.99 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 0.73 0.00 0.00 0.93 0.00 0.00 48 H 8.21 3.75 0.00 3.04 3.29 0.00 5.65 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 49 D 8.60 4.21 0.00 2.83 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 50 C 7.76 4.10 0.00 2.56 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 51 C 8.22 4.18 0.00 2.83 2.90 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 52 Y 7.85 4.40 0.00 2.93 2.90 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 53 G 7.77 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 54 R 7.77 4.07 0.00 1.97 1.99 0.00 3.09 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 L 7.81 4.55 0.00 1.57 1.57 0.88 0.86 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 56 V 7.47 3.61 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 0.77 0.00 0.00 0.92 0.00 0.00 *59 N 7.86 4.72 0.00 2.79 2.85 0.00 0.00 7.59 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 *61 C 7.86 5.32 0.00 2.91 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 *67 N 8.47 4.69 0.00 2.71 2.72 0.00 0.00 7.40 7.22 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 68 T 7.87 3.52 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 0.80 0.00 0.00 69 K 7.96 4.24 0.00 2.03 2.17 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.51 7.81 70 S 9.45 4.23 0.00 3.85 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 71 D 7.62 4.26 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 4.23 1.83 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 1.58 0.66 0.90 0.00 0.00 73 Y 8.45 4.97 0.00 2.95 3.01 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 74 S 8.66 5.05 0.00 3.99 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 75 Y 8.37 5.34 0.00 3.14 3.08 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 0.00 0.00 0.00 76 S 8.83 4.56 0.00 3.76 3.81 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 77 L 8.04 4.99 0.00 1.62 1.59 1.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.93 4.28 0.00 1.86 1.71 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.47 7.81 79 E 9.72 3.80 0.00 2.08 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 2.26 2.37 0.00 80 G 8.01 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 0.00 0.00 0.00 0.00 81 Y 8.66 4.51 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 82 I 7.89 4.38 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.88 0.00 0.00 83 T 8.40 4.66 4.34 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 1.30 0.00 0.00 84 C 8.69 5.16 0.00 2.79 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 85 G 8.89 3.94 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 0.00 0.00 0.00 86 K 8.64 4.53 0.00 2.00 1.97 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.59 7.81 *88 G 8.14 4.32 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 0.00 0.00 0.00 89 T 8.30 4.66 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 1.22 0.00 0.00 90 N 8.66 4.41 0.00 2.76 2.88 0.00 0.00 6.95 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 91 C 8.14 4.31 0.00 2.99 3.09 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 92 E 7.66 4.01 0.00 2.28 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 0.00 2.54 2.66 0.00 93 E 9.18 3.84 0.00 2.09 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 0.00 2.32 2.35 0.00 94 Q 8.66 3.91 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 95 I 8.05 3.68 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.99 0.00 0.00 96 C 7.70 3.02 0.00 2.26 2.87 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 97 E 8.14 3.60 0.00 2.08 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 2.24 2.42 0.00 98 C 7.98 4.19 0.00 3.16 2.87 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 99 D 8.01 3.51 0.00 2.68 2.59 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 0.00 0.00 0.00 0.00 100 R 7.88 3.81 0.00 1.84 2.01 0.00 2.63 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 101 V 7.23 3.40 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 0.93 0.00 0.00 0.85 0.00 0.00 102 A 7.55 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.43 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.84 0.00 1.97 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 2.24 2.29 0.00 105 C 7.81 4.08 0.00 2.84 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 0.00 106 F 8.10 4.47 0.00 3.02 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.98 0.00 1.85 2.11 0.00 3.10 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 108 R 8.02 4.03 0.00 2.03 1.96 0.00 3.42 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 109 N 7.96 4.93 0.00 2.95 2.91 0.00 0.00 6.82 6.81 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 0.00 110 L 7.54 4.03 0.00 1.93 1.77 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.15 4.76 0.00 2.85 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 0.00 112 T 8.25 4.73 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 1.27 0.00 0.00 113 Y 8.18 4.11 0.00 3.10 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 0.00 114 N 9.79 5.17 0.00 2.76 2.79 0.00 0.00 7.00 6.59 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 0.00 115 N 9.30 4.52 0.00 2.86 2.97 0.00 0.00 6.93 7.95 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 0.00 116 G 8.04 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 0.00 117 Y 7.70 4.57 0.00 2.23 1.66 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 0.00 118 M 7.99 4.10 0.00 1.62 1.92 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.03 0.00 119 F 8.10 3.84 0.00 3.23 2.90 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 0.00 120 Y 8.16 4.19 0.00 2.99 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 0.00 121 R 8.29 3.85 0.00 1.61 1.70 0.00 3.07 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 122 D 8.61 4.59 0.00 2.80 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 *124 S 7.91 4.45 0.00 3.96 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 0.00 125 K 7.46 4.09 0.00 1.59 1.85 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.16 7.81 126 C 7.61 4.74 0.00 3.07 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 0.00 127 T 7.30 4.29 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 1.26 0.00 0.00 128 E 7.45 4.80 0.00 1.85 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 2.30 2.27 0.00 129 T 8.47 4.23 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 1.22 0.00 0.00 130 S 8.91 4.40 0.00 3.81 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 0.00 131 E 9.39 3.98 0.00 1.52 1.12 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 1.47 2.08 0.00 132 E 8.41 4.48 0.00 1.98 1.87 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 2.29 2.43 0.00 133 C 8.73 4.46 0.00 2.97 2.86 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 * Residues marked with a * may have inaccurate shift predictions.