NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 H 4.6305 8.4331 117.3684 57.0411 28.9545 172.4872 8 G 4.1589 8.4545 115.2051 41.5246 0.0000 169.9937 9 T 3.8449 8.4687 108.9713 63.8750 70.1686 172.4308 10 R 4.2465 7.4533 122.7395 53.7134 29.6942 174.1391 11 P 4.2018 0.0000 0.0000 65.5741 31.3706 177.2643 12 D 4.5784 7.8575 113.8855 52.8938 39.8972 176.0185 13 L 3.9832 7.6337 123.6326 55.7086 42.5736 176.2376 14 T 4.6294 8.1758 116.0536 60.0523 71.1025 174.3568 15 D 5.3022 8.4330 118.9271 52.3688 40.5845 175.9572 16 Q 4.6548 7.6873 119.1254 52.9664 31.0020 173.4985 17 P 4.3753 0.0000 0.0000 63.0721 30.4875 176.1097 18 L 4.1618 9.3580 122.2571 54.1414 42.0741 176.6013 19 P 4.3196 0.0000 0.0000 64.4831 32.1210 176.1131 20 D 4.7968 7.2524 116.8852 51.8921 39.0893 175.5630 21 A 4.2339 7.5663 121.1002 52.6654 19.9272 177.7204 22 D 4.5035 8.4865 121.3453 56.6720 41.8127 176.9139 23 H 4.7120 7.6346 114.0546 54.0862 33.2423 172.9589 24 T 4.8489 8.4823 118.1278 61.7974 70.5145 173.0723 25 W 5.4608 8.8790 126.1090 54.9944 33.0544 174.4661 26 Y 5.3941 9.4885 119.2219 56.5589 40.8744 175.0081 27 T 5.1719 8.7738 113.1192 60.4417 72.0154 172.6762 28 D 4.9771 8.2291 120.1012 54.1109 45.2456 174.1611 29 G 4.4569 8.9748 110.8846 44.4949 0.0000 171.9249 30 S 4.9185 9.2501 117.9394 56.4108 66.3766 173.1202 31 S 4.9189 8.6252 119.9461 57.2806 64.4659 172.7048 32 L 4.8309 9.0317 127.7014 52.7221 45.2748 175.8664 33 L 4.6418 8.4918 124.4133 54.0736 42.9497 176.0013 34 Q 4.2928 9.0589 129.8945 54.8326 29.2635 175.1927 35 E 3.7777 9.6239 128.3645 57.4223 26.8621 176.3037 36 G 3.9501 8.1849 104.1093 45.5699 0.0000 172.8768 37 Q 4.4719 7.6806 119.7934 53.8741 30.6447 174.5682 38 R 4.5371 8.4939 123.6378 56.0851 31.1667 174.9570 39 K 4.9425 9.0817 126.0851 54.6843 35.4356 175.2768 40 A 5.1718 8.3555 123.4851 50.9138 23.2180 174.8422 41 G 4.4780 8.9669 105.1454 45.6495 0.0000 171.8524 42 A 5.4698 8.7840 120.3327 50.7276 23.2881 175.1889 43 A 5.3110 9.0547 120.1975 50.9530 23.5908 175.5404 44 V 5.0504 9.2207 119.6448 61.4397 34.9286 174.7361 45 T 5.0922 9.2412 117.2209 60.7320 72.2483 173.2821 46 T 4.7981 8.7323 112.5818 60.2294 71.3053 174.6089 47 E 4.0160 9.1366 121.0787 59.3682 29.5277 177.9862 48 T 4.6441 7.5440 104.6216 60.5037 70.5552 173.3399 49 E 4.6782 8.3657 122.2991 54.4586 32.6639 174.9566 50 V 4.2441 8.3321 122.6621 62.2779 32.1961 175.4932 51 I 4.3881 7.7672 119.8462 60.5294 39.0308 175.4915 52 W 4.5657 7.7499 129.8383 56.7611 33.8739 172.6408 53 A 4.5833 7.6705 126.2859 50.9662 21.5513 175.2253 54 K 4.2325 7.8684 118.6777 55.6586 36.2274 174.6828 55 A 4.6658 8.3977 123.2598 51.8015 19.4014 176.8076 56 L 4.7898 8.3523 120.6133 51.8653 44.8803 174.9469 57 P 4.3283 0.0000 0.0000 62.6912 31.8605 176.0692 58 A 4.2670 8.4303 124.5071 54.2358 18.6154 177.9580 59 G 4.0108 8.2467 110.2987 45.3920 0.0000 174.3212 60 T 3.9041 7.4079 117.3019 63.5769 68.9392 175.1145 61 S 4.4403 8.5210 121.2346 57.6367 65.4445 175.1482 62 A 4.0349 8.4027 124.1883 55.2947 18.2847 179.9444 63 Q 3.9739 7.9509 115.7928 59.4475 28.6341 178.7013 64 R 3.9701 8.0142 120.1654 59.1240 30.1947 178.3722 65 A 4.1163 8.1911 120.6233 55.2031 18.3265 179.4735 66 E 4.0549 8.5603 117.3494 59.5436 29.4528 179.6141 67 L 4.1409 8.0338 118.6919 57.7878 41.7317 179.5117 68 I 3.6929 7.9291 119.6200 64.2636 37.1681 178.3855 69 A 4.0020 8.1866 121.5526 55.1394 18.3232 179.4392 70 L 3.9395 7.8427 118.5569 58.6139 42.1490 179.3061 71 T 3.8061 8.1058 115.8825 66.5884 68.1292 176.3760 72 Q 3.5833 7.6878 120.2575 58.8321 28.9437 177.8904 73 A 4.1676 7.4761 120.4607 55.1795 18.5546 179.2270 74 L 4.1610 7.5941 116.1419 57.7715 41.8945 181.0357 75 K 4.1075 7.9668 116.0457 56.6107 31.8157 177.9919 *77 A 4.3936 7.7954 120.0758 51.4817 20.0113 176.7348 78 E 4.0867 7.8294 119.1822 59.1539 29.7700 177.7320 79 G 3.9308 9.1168 114.1490 45.4227 0.0000 172.5036 80 K 4.6330 7.9043 118.4498 54.1506 36.5498 175.0651 81 K 4.6784 9.1509 121.3582 55.4148 33.4542 175.9281 82 L 4.8668 8.7309 127.5752 53.0646 45.3908 174.6692 83 N 5.3239 8.7889 123.7235 51.4879 40.8868 173.9283 84 V 4.9503 8.5069 124.0150 60.0367 34.5975 174.3934 85 Y 5.2067 8.9646 121.8152 56.9433 40.9047 174.6077 86 T 5.1476 8.9228 116.1135 60.8125 71.2843 173.6190 87 D 4.7560 8.9654 126.3283 53.3009 40.1465 176.2561 88 S 4.6519 7.9000 115.4181 57.2111 63.3125 174.4677 89 R 3.6996 8.5720 130.1148 59.4228 29.9035 177.5305 90 Y 4.1532 8.1182 118.7167 60.7761 38.8948 177.8753 91 A 3.7314 8.3092 121.7155 54.9230 18.2536 179.3273 92 F 3.8900 8.1019 117.8963 61.4897 39.7917 176.9726 93 A 4.1813 8.5576 120.7870 55.4367 18.1547 179.7537 94 T 3.6659 7.9504 114.2635 66.5219 68.2598 176.5170 95 A 3.9710 7.6568 121.0661 54.0651 18.3163 178.1135 96 H 4.4990 7.6084 113.6764 54.3058 29.4237 174.5122 97 L 4.1914 7.3889 122.5596 54.9349 41.9046 177.0208 98 T 4.4589 8.1580 111.5035 61.7783 70.4170 174.3225 99 S 4.5750 7.7074 114.3780 57.5019 65.1561 173.1461 100 E 4.6421 8.3956 123.4045 55.3213 31.7931 174.8215 101 G 3.9606 8.2483 109.5999 44.2848 0.0000 173.6569 102 K 4.0812 8.3889 119.2881 58.7329 32.8523 177.3631 103 E 4.4312 7.8788 120.1253 54.8351 27.9830 175.5530 104 I 4.7492 6.9878 111.6360 58.6232 41.4055 176.2675 105 K 4.1855 8.5409 121.1765 57.4184 32.8096 176.2390 106 N 4.4125 8.8359 116.3073 54.0851 36.3648 177.0482 107 K 3.9149 8.3598 119.0487 60.5942 32.5903 177.4120 108 D 4.3715 8.0659 119.7490 56.9883 40.8315 178.5210 109 E 4.0378 8.1472 118.6238 59.3312 29.4688 179.3069 110 I 3.7034 8.0277 120.1028 64.2043 37.2995 178.1423 111 L 3.9180 8.0017 121.0223 58.1771 41.8994 178.9543 112 A 4.0217 8.0008 120.6334 54.8381 18.2888 179.4277 113 L 3.8355 7.9877 118.8671 58.4098 42.0273 179.1457 114 L 3.9684 7.8321 117.6061 57.7936 41.6551 179.5196 115 K 4.2706 8.0807 117.7927 59.4223 32.0358 179.3511 116 A 4.0612 8.2243 120.8914 54.8496 17.9771 179.3717 117 L 3.7280 7.5648 117.0869 57.7871 41.6870 178.7930 118 F 4.4938 7.6475 114.7077 57.9677 39.3409 177.4033 119 L 4.1748 8.0137 120.5703 56.3647 41.6246 175.7737 120 P 4.7705 0.0000 0.0000 62.0974 32.1404 176.3300 121 K 4.1564 8.7102 123.6409 59.1930 32.5261 177.1180 122 R 4.7328 7.7304 118.6126 54.5656 34.0177 173.2845 123 L 4.9972 8.1238 124.9476 53.7251 46.0991 174.2091 124 S 4.8146 8.9433 119.7523 56.5896 65.8162 172.2919 125 I 4.7148 8.3186 127.6215 59.6546 39.4750 174.4929 126 I 4.5332 8.5704 128.5528 59.6155 39.9517 174.2916 127 H 5.0789 8.8549 126.9811 55.8006 30.2207 175.1749 128 C 3.8945 8.6882 126.0998 59.1427 27.9346 172.5631 *134 G 3.8030 8.1149 107.7929 46.3717 0.0000 172.2242 135 H 4.7897 8.6025 114.2320 54.9183 29.9203 174.8960 136 S 4.5233 7.8372 116.0284 57.3471 65.4857 174.5227 137 A 3.9295 8.3665 123.1674 55.1775 18.0555 179.5867 138 E 3.8814 8.3197 116.8773 58.7417 29.8150 179.1171 139 A 3.9285 7.7602 121.5615 54.9809 18.2090 179.8459 140 R 3.8616 7.8887 115.9069 59.1294 30.1665 179.2620 141 G 2.3815 7.3660 104.6216 47.3159 0.0000 174.9424 142 N 4.5583 7.6876 119.8211 56.0665 38.9141 177.1889 143 R 3.8556 7.7661 118.8298 56.5804 30.2538 177.9737 *145 A 4.2986 8.0232 121.9163 51.7840 20.9164 179.4252 146 D 4.7735 8.1168 116.0942 57.1661 41.2105 178.2965 147 Q 3.9393 8.2345 119.8722 59.1426 29.0347 178.0666 148 A 3.9380 7.9641 121.1761 54.9768 18.4790 179.3537 149 A 3.9443 8.1523 119.3821 55.3786 18.5024 180.1531 150 R 3.8835 8.0466 116.7070 59.0902 30.0244 179.1658 151 K 3.8920 8.3283 119.4915 59.3960 32.1903 178.7104 152 A 3.8787 7.9984 120.8075 55.1151 18.0801 179.4507 153 A 4.0501 7.7222 118.0993 55.3786 18.5283 179.4895 154 I 3.9798 7.7534 117.2840 63.2298 37.5446 177.5309 155 T 4.4755 8.0429 107.8040 60.6000 69.7838 173.7712 156 E 4.7257 7.4604 120.5221 54.8644 32.7358 175.0687 157 T 4.5089 8.0499 117.1177 61.2637 70.1712 173.4741 158 P 4.6576 0.0000 0.0000 62.5038 32.2319 176.2109 159 D 4.5049 8.6049 120.7380 56.8223 41.2345 177.4395 160 T 4.6465 7.0769 109.5712 59.5605 72.5707 179.3214 161 S 4.1753 8.6992 117.2533 59.4576 62.9190 172.1951 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 *7 H 8.43 4.63 0.00 2.95 2.99 0.00 7.15 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 8 G 8.45 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 0.00 0.00 0.00 0.00 9 T 8.47 3.84 4.39 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 1.26 0.00 0.00 10 R 7.45 4.25 0.00 0.98 1.49 0.00 2.78 0.00 0.00 3.02 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 11 P 0.00 4.20 0.00 2.09 2.13 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 12 D 7.86 4.58 0.00 2.72 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 13 L 7.63 3.98 0.00 1.47 1.71 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.18 4.63 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 1.18 0.00 0.00 15 D 8.43 5.30 0.00 2.99 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 16 Q 7.69 4.65 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 17 P 0.00 4.38 0.00 2.19 2.09 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 18 L 9.36 4.16 0.00 1.62 1.57 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.32 0.00 2.02 2.10 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 20 D 7.25 4.80 0.00 2.83 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 21 A 7.57 4.23 1.20 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 22 D 8.49 4.50 0.00 2.35 2.42 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 23 H 7.63 4.71 0.00 2.02 1.31 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.48 4.85 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 1.29 0.00 0.00 25 W 8.88 5.46 0.00 3.28 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 26 Y 9.49 5.39 0.00 2.97 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 27 T 8.77 5.17 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 1.31 0.00 0.00 28 D 8.23 4.98 0.00 2.84 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 29 G 8.97 4.46 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 0.00 30 S 9.25 4.92 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.92 0.00 3.85 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 0.00 32 L 9.03 4.83 0.00 1.58 1.50 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.49 4.64 0.00 1.63 1.59 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.06 4.29 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.06 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 35 E 9.62 3.78 0.00 2.12 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 2.22 2.28 0.00 36 G 8.18 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 37 Q 7.68 4.47 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 38 R 8.49 4.54 0.00 1.94 1.89 0.00 3.17 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 39 K 9.08 4.94 0.00 1.70 1.80 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.34 7.81 40 A 8.36 5.17 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 41 G 8.97 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 0.00 0.00 0.00 0.00 42 A 8.78 5.47 1.48 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 0.00 0.00 43 A 9.05 5.31 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 44 V 9.22 5.05 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 0.62 0.00 0.00 0.86 0.00 0.00 45 T 9.24 5.09 4.43 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 0.00 0.00 0.00 1.25 0.00 0.00 46 T 8.73 4.80 4.46 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 1.43 0.00 0.00 47 E 9.14 4.02 0.00 2.04 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 2.21 2.35 0.00 48 T 7.54 4.64 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 1.20 0.00 0.00 49 E 8.37 4.68 0.00 2.01 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 2.37 0.00 50 V 8.33 4.24 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 0.79 0.00 0.00 0.92 0.00 0.00 51 I 7.77 4.39 1.69 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.47 0.83 0.00 0.00 52 W 7.75 4.57 0.00 3.22 2.88 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 53 A 7.67 4.58 1.01 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 0.00 0.00 54 K 7.87 4.23 0.00 1.54 1.27 0.00 1.13 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.45 1.16 7.81 55 A 8.40 4.67 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 56 L 8.35 4.79 0.00 1.52 1.60 1.00 1.12 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 57 P 0.00 4.33 0.00 2.18 2.00 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 58 A 8.43 4.27 1.24 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 0.00 0.00 0.00 59 G 8.25 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 0.00 0.00 0.00 60 T 7.41 3.90 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 1.25 0.00 0.00 61 S 8.52 4.44 0.00 4.02 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 62 A 8.40 4.03 1.34 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 0.00 0.00 63 Q 7.95 3.97 0.00 1.69 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 64 R 8.01 3.97 0.00 2.06 2.12 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 65 A 8.19 4.12 1.48 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 0.00 0.00 66 E 8.56 4.05 0.00 2.33 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 2.55 2.60 0.00 67 L 8.03 4.14 0.00 1.96 1.74 1.05 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.93 3.69 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 1.07 0.00 0.00 69 A 8.19 4.00 1.56 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 0.00 0.00 0.00 0.00 0.00 70 L 7.84 3.94 0.00 1.84 1.81 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.11 3.81 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 1.16 0.00 0.00 72 Q 7.69 3.58 0.00 1.28 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.00 73 A 7.48 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.16 0.00 1.78 1.87 0.82 0.88 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 75 K 7.97 4.11 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 *77 A 7.80 4.39 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 78 E 7.83 4.09 0.00 2.02 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 2.34 2.45 0.00 79 G 9.12 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 0.00 0.00 0.00 80 K 7.90 4.63 0.00 1.73 1.66 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.55 7.81 81 K 9.15 4.68 0.00 1.72 1.64 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.40 7.81 82 L 8.73 4.87 0.00 1.44 1.30 0.45 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.79 5.32 0.00 2.58 2.59 0.00 0.00 6.23 7.20 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 84 V 8.51 4.95 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 0.93 0.00 0.00 1.04 0.00 0.00 85 Y 8.96 5.21 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 86 T 8.92 5.15 4.35 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 1.42 0.00 0.00 87 D 8.97 4.76 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 88 S 7.90 4.65 0.00 4.42 3.89 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 89 R 8.57 3.70 0.00 1.97 1.98 0.00 3.28 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 90 Y 8.12 4.15 0.00 3.10 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 91 A 8.31 3.73 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 92 F 8.10 3.89 0.00 3.05 3.14 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 0.00 93 A 8.56 4.18 1.42 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 94 T 7.95 3.67 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 1.02 0.00 0.00 95 A 7.66 3.97 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 96 H 7.61 4.50 0.00 3.19 3.21 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.39 4.19 0.00 1.67 1.57 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.16 4.46 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 1.27 0.00 0.00 99 S 7.71 4.57 0.00 3.80 3.72 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 0.00 100 E 8.40 4.64 0.00 2.08 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 2.19 2.25 0.00 101 G 8.25 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 0.00 0.00 0.00 102 K 8.39 4.08 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 103 E 7.88 4.43 0.00 1.99 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 2.36 0.00 104 I 6.99 4.75 1.92 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 0.69 1.00 0.00 0.00 105 K 8.54 4.19 0.00 1.78 1.80 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 106 N 8.84 4.41 0.00 3.05 2.98 0.00 0.00 6.69 7.85 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 0.00 107 K 8.36 3.91 0.00 1.99 2.27 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 108 D 8.07 4.37 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 109 E 8.15 4.04 0.00 2.24 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 2.45 2.50 0.00 110 I 8.03 3.70 2.01 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 1.38 0.84 0.89 0.00 0.00 111 L 8.00 3.92 0.00 1.78 1.84 0.93 1.37 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 0.00 112 A 8.00 4.02 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 0.00 113 L 7.99 3.84 0.00 1.82 1.81 0.84 0.33 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 0.00 114 L 7.83 3.97 0.00 1.80 1.76 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.08 4.27 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 116 A 8.22 4.06 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 0.00 117 L 7.56 3.73 0.00 1.39 1.23 0.70 0.63 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 0.00 118 F 7.65 4.49 0.00 2.97 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 0.00 119 L 8.01 4.17 0.00 1.78 1.72 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.77 0.00 1.96 1.90 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 121 K 8.71 4.16 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.37 7.81 122 R 7.73 4.73 0.00 1.82 1.61 0.00 3.17 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 123 L 8.12 5.00 0.00 1.64 1.29 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.94 4.81 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.71 1.68 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.90 0.00 0.00 126 I 8.57 4.53 0.91 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.67 0.86 0.00 0.00 127 H 8.85 5.08 0.00 2.21 2.73 0.00 5.90 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.69 3.89 0.00 3.09 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 *134 G 8.11 3.80 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 0.00 0.00 0.00 135 H 8.60 4.79 0.00 3.05 3.27 0.00 5.89 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.84 4.52 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 0.00 137 A 8.37 3.93 1.42 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 0.00 138 E 8.32 3.88 0.00 1.94 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 0.00 2.35 2.21 0.00 139 A 7.76 3.93 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 0.00 140 R 7.89 3.86 0.00 1.80 1.88 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 141 G 7.37 2.38 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 0.00 142 N 7.69 4.56 0.00 2.85 2.98 0.00 0.00 6.91 7.02 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 0.00 143 R 7.77 3.86 0.00 2.00 1.94 0.00 3.12 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 *145 A 8.02 4.30 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.12 4.77 0.00 2.92 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 0.00 147 Q 8.23 3.94 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 148 A 7.96 3.94 1.32 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 0.00 149 A 8.15 3.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.05 3.88 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 151 K 8.33 3.89 0.00 1.89 1.92 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 152 A 8.00 3.88 1.32 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 0.00 153 A 7.72 4.05 1.40 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 0.00 0.00 0.00 154 I 7.75 3.98 1.85 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 1.57 0.69 0.95 0.00 0.00 155 T 8.04 4.48 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 1.19 0.00 0.00 156 E 7.46 4.73 0.00 2.09 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 2.17 2.17 0.00 157 T 8.05 4.51 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 1.20 0.00 0.00 158 P 0.00 4.66 0.00 2.30 2.13 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 159 D 8.60 4.50 0.00 2.70 2.77 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 0.00 0.00 0.00 0.00 160 T 7.08 4.65 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 0.00 161 S 8.70 4.18 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.