NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2910 8.1876 121.9750 55.8180 31.0386 173.4774 5 K 4.5960 8.2052 125.5935 55.7020 34.6006 173.7855 6 Y 5.2310 9.9815 122.7127 56.0624 42.4550 175.6169 7 L 5.2134 8.8581 122.4791 53.1947 44.5773 175.5472 8 F 5.0588 9.5614 124.2402 56.2438 40.5564 174.9326 9 I 5.1133 8.9035 125.8961 59.1412 39.6903 175.4467 10 D 4.9729 9.0324 127.1397 54.3510 41.6664 174.8491 11 R 4.1960 8.7357 121.4258 58.0801 31.1395 175.4202 12 D 4.5572 7.7885 118.3343 55.6419 41.4472 177.1443 13 G 4.0954 9.5856 113.1838 45.9439 0.0000 173.0020 14 T 4.0270 7.3385 113.5441 64.8274 71.3565 176.1089 15 L 4.2711 8.5745 121.1192 56.8364 42.4540 177.0077 16 I 5.1223 7.2446 110.0579 58.4878 41.3368 175.2768 17 S 4.6950 9.0515 118.4091 58.5605 63.8904 172.9073 18 E 4.6627 8.4725 122.0375 53.6344 31.4360 173.8695 19 P 4.2071 0.0000 0.0000 62.0850 31.7558 175.2395 20 P 3.8042 0.0000 0.0000 63.7032 31.2182 177.4650 21 S 4.1275 7.1255 114.4818 59.6420 63.6589 174.2486 22 D 4.8006 7.3387 119.6181 51.1818 40.0920 175.9067 23 F 3.9021 7.4970 117.0419 58.3057 37.0614 174.7629 24 Q 4.3186 7.8273 116.8362 54.3892 30.8266 175.8282 25 V 3.8924 8.3164 122.6817 61.6135 30.0077 174.4328 26 D 5.3224 8.0585 119.7185 51.5188 40.3041 176.6953 27 R 4.7112 7.3075 117.4565 54.7869 34.3681 176.1015 28 F 4.1201 8.8753 119.2189 60.5158 39.1223 176.7081 29 D 4.8011 8.2284 117.3424 53.8353 39.2684 176.5600 30 K 4.3892 7.8592 117.8226 56.1428 32.9394 175.4108 31 L 4.3064 7.6131 121.7511 53.5886 42.9249 175.7097 32 A 4.6968 8.0574 127.2064 50.5620 22.3991 175.1197 33 F 4.5022 9.1316 122.1824 57.3313 39.6387 175.5576 34 E 4.4097 9.1155 122.4672 55.5900 30.7968 174.9625 35 P 4.3788 0.0000 0.0000 64.0711 32.0181 177.2133 36 G 4.0535 9.1288 110.5639 46.0299 0.0000 175.3487 37 V 2.6646 7.5031 121.0563 64.6662 31.0404 178.4370 38 I 3.7261 7.5904 120.0325 63.5568 37.1267 176.4111 39 P 4.2615 0.0000 0.0000 66.1436 30.9059 178.3703 40 Q 4.0327 8.1988 117.7478 58.6810 28.5744 178.4917 41 L 3.8681 7.8792 120.1692 57.4919 41.5522 179.5041 42 L 3.9101 7.9280 119.1104 57.5661 41.5040 179.3933 43 K 3.9464 8.1857 119.5942 59.5756 32.2149 178.8892 44 L 4.1391 8.1742 119.3939 57.8226 41.4550 179.4564 45 Q 4.3081 8.2763 119.6724 58.5270 28.4746 179.1619 46 K 3.9855 8.0489 117.7764 58.8709 32.1289 178.3587 47 A 4.3384 7.5256 118.5663 52.1112 18.8059 177.8598 48 G 3.8992 7.9816 105.2376 44.8710 0.0000 174.1031 49 Y 4.2903 7.9438 118.3465 58.0175 39.0084 175.3523 50 K 4.4645 8.5650 122.8627 55.0782 34.9209 175.3712 51 L 5.1519 8.2526 121.9363 52.9793 45.1009 175.5858 52 V 4.9023 8.7664 122.6485 61.4130 34.9621 173.7493 53 M 4.8844 9.0730 128.1446 54.6850 34.2250 174.6561 54 I 5.1080 8.7644 125.4374 59.7837 41.6876 173.6049 55 T 4.9041 8.8869 123.3564 60.8298 71.3006 171.9556 56 N 4.9734 8.8211 126.0514 52.8300 39.7757 175.4365 57 Q 4.6874 9.2396 124.2927 53.1416 29.3303 172.8775 58 D 4.9321 7.8798 119.5807 55.2638 41.6029 177.2329 59 G 3.9355 9.1059 112.3205 45.2435 0.0000 172.5566 60 L 3.7749 7.5481 121.6939 56.5243 42.1395 177.4924 61 G 3.8117 8.8770 114.6991 45.2488 0.0000 172.4848 62 T 4.6437 7.4184 109.6257 58.9882 71.4127 175.0959 63 Q 4.0991 8.5740 119.0685 58.8688 28.5340 177.9955 64 S 4.3335 7.7173 112.9458 60.8312 63.6846 174.8595 65 F 5.2482 8.1826 122.3009 55.1724 41.0195 170.6028 66 P 4.5667 0.0000 0.0000 62.2825 33.3720 175.9866 67 Q 3.7905 8.7669 122.1802 59.6304 28.3665 179.1140 68 A 4.0427 7.9772 120.8893 55.2313 18.0211 179.2219 69 D 4.4011 7.9749 117.1572 57.3885 41.0504 178.5670 70 F 4.2958 8.1713 121.0649 61.2922 39.3144 176.9927 71 D 4.4147 8.4840 118.8469 57.5715 40.6300 178.4075 72 G 3.6488 7.6870 105.0171 47.7434 0.0000 173.7770 73 P 3.8364 0.0000 0.0000 64.6960 31.3611 178.4510 74 H 3.8022 7.7084 117.0521 59.1827 29.5948 177.1785 75 N 4.2906 8.4348 118.8012 55.9367 38.2510 177.1684 76 L 3.9729 7.9996 121.8502 58.3704 42.2411 178.5169 77 M 4.0684 8.1126 118.2342 59.2205 32.0376 178.1371 78 M 4.3070 8.2772 118.9299 58.4519 32.0184 178.5167 79 Q 4.0265 8.4409 120.1634 59.1163 29.1733 178.5078 80 I 3.5970 8.0016 120.9561 64.4022 37.1028 178.0782 81 F 4.4017 8.1081 118.5076 61.1253 38.8162 177.6282 82 T 4.0559 8.5713 115.5723 67.0543 68.1990 176.8400 83 S 4.1985 8.1593 114.4526 61.1966 63.0199 175.5779 84 Q 4.3103 7.8820 119.0980 55.7698 28.9038 176.4977 85 G 3.9477 7.9404 108.6136 44.9118 0.0000 173.6867 86 V 3.7811 7.8104 120.4070 61.7638 31.8194 175.1137 87 Q 4.5470 8.2570 126.2125 54.0187 30.7734 174.8750 88 F 4.6425 8.6784 122.1959 56.1821 40.1899 175.3868 89 D 4.7373 9.3096 126.9340 57.3237 41.1779 176.7715 90 E 4.8593 8.2590 115.3205 54.7302 34.6619 174.7389 91 V 4.6064 8.5039 121.4902 61.4376 33.6512 174.5511 92 L 4.7473 9.0767 129.4809 53.1684 43.6053 175.8033 93 I 4.9446 8.3335 124.3651 59.5292 40.3504 174.3765 94 C 4.5574 8.9407 128.1384 57.2803 32.9602 171.6268 95 P 4.8873 0.0000 0.0000 63.0866 32.3362 175.4756 96 H 4.9580 7.8158 117.9436 55.2691 30.0296 174.6635 97 L 4.4819 8.8378 121.8676 53.7045 42.7253 176.5504 98 P 4.2175 0.0000 0.0000 66.0189 31.0410 178.8141 99 A 4.1298 7.9295 117.1899 54.6309 18.3560 178.7949 100 D 4.3251 8.0544 116.8205 54.9583 41.6209 176.0122 101 E 3.7246 7.9092 118.2579 57.2442 27.5354 173.9726 102 C 4.3870 7.5960 111.6985 57.7218 31.0780 173.5380 103 D 4.5132 8.4391 119.0535 55.8572 40.6817 177.1763 104 C 4.5485 7.7467 111.6945 57.7293 31.1505 173.9285 105 R 4.1163 7.7881 122.5955 55.8124 30.1333 175.6361 106 K 4.2510 8.8884 125.8513 56.6299 32.5045 174.8310 107 P 4.6524 0.0000 0.0000 62.6234 31.5616 176.4045 108 K 4.1143 7.8945 118.4599 57.3299 32.5465 177.8232 109 V 4.1837 8.0680 113.0362 60.9745 32.1202 177.7079 110 K 3.8250 7.9668 121.3982 59.9433 31.6918 178.4045 111 L 4.1456 7.9655 116.9989 56.8925 41.7439 178.7504 112 V 4.6155 7.5112 111.1219 61.0406 32.0295 177.2104 113 E 3.9460 8.0656 121.2182 59.8297 28.8679 179.1059 114 R 3.8076 7.8986 118.3250 59.1614 30.2310 176.8322 115 Y 4.1776 7.8159 113.8009 59.5414 38.6238 176.0998 116 L 4.4123 7.4405 121.8946 53.4285 40.7290 176.0401 *120 A 4.4989 7.6845 122.5579 51.9570 20.9436 176.9527 121 M 5.0987 7.6441 109.4996 53.8155 34.5355 174.6357 122 D 4.6273 9.0439 120.5411 53.2532 40.5082 177.1385 123 R 3.9972 8.4740 126.5961 58.8055 30.4747 179.3671 124 A 4.1070 7.7553 119.0862 54.3221 18.4552 177.6532 125 N 5.0521 8.0529 110.5631 53.1185 39.8571 174.8559 126 S 5.2747 7.5723 114.3784 57.3758 66.1646 172.8318 127 Y 5.2818 8.9932 118.6377 56.7098 42.8495 174.1645 128 V 4.8665 8.9424 122.7345 61.9668 33.7103 174.6751 129 I 4.9977 8.8892 128.6237 59.8178 39.9948 174.8506 130 G 4.6758 8.7716 112.9793 45.3568 0.0000 173.2579 131 D 5.0837 8.8927 117.9677 52.8898 40.5321 176.4879 132 R 4.6591 8.2205 119.2110 53.8746 33.0667 176.5006 133 A 4.0283 8.6167 121.4784 55.8325 18.0847 180.1188 134 T 3.7924 7.9376 107.6429 65.2233 68.6364 176.2660 135 D 4.3512 8.0459 121.5802 57.1913 40.8685 178.7801 136 I 3.7553 7.6813 119.9297 64.3596 37.0830 178.1397 137 Q 3.9512 8.4595 120.8775 58.8101 28.8760 177.7333 138 L 4.0127 8.1211 121.3841 58.1580 42.0630 178.7514 139 A 3.9457 7.8782 120.4205 55.2306 18.3408 179.0874 140 E 3.8559 8.0711 117.6190 59.7370 29.5082 178.9064 141 N 4.3875 8.2604 115.1513 56.0287 38.6393 176.4411 142 M 4.2793 7.9121 118.0341 54.5793 32.4526 176.4442 143 G 3.8638 7.8711 107.3252 46.3978 0.0000 173.0064 144 I 4.7264 7.5966 111.6867 58.2846 41.2595 174.4852 145 N 4.6661 8.2723 118.9932 53.2182 39.6513 174.7747 146 G 4.4866 8.6978 108.2068 44.4240 0.0000 172.0977 147 L 4.7644 9.0353 124.1102 52.7078 44.6167 175.8818 148 R 4.3981 8.6320 125.3996 55.0062 29.7857 174.7925 149 Y 4.1441 8.5723 128.5271 57.8779 40.0724 174.7669 150 D 4.3451 7.9367 125.0448 52.0608 44.4508 175.9104 151 R 3.6844 8.3733 126.4176 58.5966 30.3945 176.3004 152 E 4.3718 8.6159 117.2718 57.5737 30.7490 176.7240 153 T 4.2510 7.8001 105.6120 62.5750 70.1525 175.1293 154 L 4.3694 7.4452 123.4949 53.1572 43.6997 173.4360 155 N 4.7458 7.5823 122.0952 50.5745 41.2109 175.7728 156 W 4.3337 8.7431 119.0561 59.7529 29.1269 176.6600 157 P 4.5361 0.0000 0.0000 66.0717 30.7549 178.5032 158 M 4.0736 8.6663 117.4842 58.4359 31.7948 178.9017 159 I 3.7044 8.0774 120.2376 64.2940 37.0516 178.5741 160 G 3.9877 8.3545 107.0862 47.1947 0.0000 175.0573 161 E 4.0946 8.2829 121.5846 59.0492 29.2278 178.5878 162 Q 3.9151 8.4121 120.4578 59.1343 29.1620 177.6032 163 L 4.2945 7.9403 114.9018 55.6202 41.8228 177.2422 164 T 4.5921 7.4298 107.9210 60.8930 69.3859 174.5462 165 R 4.0123 7.6329 122.4863 56.8619 30.6260 176.4952 166 R 4.2602 8.4560 122.5739 56.4416 30.7722 175.3637 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 4 Q 8.19 4.29 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 5 K 8.21 4.60 0.00 2.15 1.82 0.00 0.75 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.86 7.81 6 Y 9.98 5.23 0.00 2.73 1.97 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 7 L 8.86 5.21 0.00 1.53 1.60 0.59 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.56 5.06 0.00 2.94 2.99 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 9 I 8.90 5.11 2.09 0.00 0.00 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 1.32 1.02 1.20 0.00 0.00 10 D 9.03 4.97 0.00 2.87 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 11 R 8.74 4.20 0.00 1.88 1.82 0.00 3.27 0.00 0.00 3.43 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 12 D 7.79 4.56 0.00 2.76 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 G 9.59 4.10 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 0.00 0.00 0.00 14 T 7.34 4.03 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 1.30 0.00 0.00 15 L 8.57 4.27 0.00 1.77 1.93 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.24 5.12 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.29 0.00 0.00 17 S 9.05 4.70 0.00 3.88 4.05 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 18 E 8.47 4.66 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 2.38 2.42 0.00 19 P 0.00 4.21 0.00 2.03 1.84 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 20 P 0.00 3.80 0.00 2.03 2.06 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 21 S 7.13 4.13 0.00 3.89 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 22 D 7.34 4.80 0.00 2.69 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 23 F 7.50 3.90 0.00 3.25 3.38 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 24 Q 7.83 4.32 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 25 V 8.32 3.89 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 0.73 0.00 0.00 0.90 0.00 0.00 26 D 8.06 5.32 0.00 2.93 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 27 R 7.31 4.71 0.00 1.88 1.91 0.00 3.17 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 F 8.88 4.12 0.00 3.09 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 29 D 8.23 4.80 0.00 2.81 2.82 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 30 K 7.86 4.39 0.00 1.85 1.79 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 31 L 7.61 4.31 0.00 1.48 1.76 0.63 1.40 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 32 A 8.06 4.70 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 33 F 9.13 4.50 0.00 2.88 2.99 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 34 E 9.12 4.41 0.00 2.25 2.26 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 2.44 2.60 0.00 35 P 0.00 4.38 0.00 2.21 2.11 0.00 4.07 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 36 G 9.13 4.05 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 0.00 37 V 7.50 2.66 1.68 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 1.04 0.00 0.00 0.16 0.00 0.00 38 I 7.59 3.73 1.77 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 1.54 0.84 0.86 0.00 0.00 39 P 0.00 4.26 0.00 2.26 2.30 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 40 Q 8.20 4.03 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 41 L 7.88 3.87 0.00 1.51 1.41 0.50 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.93 3.91 0.00 1.85 1.69 0.97 0.54 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 43 K 8.19 3.95 0.00 1.90 2.01 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.17 4.14 0.00 1.81 1.63 1.01 0.60 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 45 Q 8.28 4.31 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 46 K 8.05 3.99 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 47 A 7.53 4.34 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 0.00 0.00 48 G 7.98 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 49 Y 7.94 4.29 0.00 3.06 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 50 K 8.57 4.46 0.00 1.23 1.84 0.00 1.32 0.00 0.00 1.89 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.32 7.81 51 L 8.25 5.15 0.00 1.15 1.16 0.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.77 4.90 1.58 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 0.90 0.00 0.00 0.66 0.00 0.00 53 M 9.07 4.88 0.00 1.91 1.10 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 54 I 8.76 5.11 1.95 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 1.12 1.20 1.01 0.00 0.00 55 T 8.89 4.90 4.27 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 1.27 0.00 0.00 56 N 8.82 4.97 0.00 2.66 2.88 0.00 0.00 6.82 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 57 Q 9.24 4.69 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 58 D 7.88 4.93 0.00 2.69 2.68 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 59 G 9.11 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 60 L 7.55 3.77 0.00 1.14 1.32 -0.28 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.88 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 0.00 0.00 0.00 62 T 7.42 4.64 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 1.20 0.00 0.00 63 Q 8.57 4.10 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 64 S 7.72 4.33 0.00 4.02 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 65 F 8.18 5.25 0.00 3.09 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 66 P 0.00 4.57 0.00 2.26 2.00 0.00 3.99 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 2.30 2.21 0.00 67 Q 8.77 3.79 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 68 A 7.98 4.04 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 69 D 7.97 4.40 0.00 3.16 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 70 F 8.17 4.30 0.00 2.31 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 71 D 8.48 4.41 0.00 2.96 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 72 G 7.69 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 3.84 0.00 1.81 1.74 0.00 3.36 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.03 0.00 74 H 7.71 3.80 0.00 1.96 2.59 0.00 5.78 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 75 N 8.43 4.29 0.00 2.83 2.87 0.00 0.00 6.68 6.50 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 76 L 8.00 3.97 0.00 2.02 1.95 0.97 0.91 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 77 M 8.11 4.07 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.47 0.00 78 M 8.28 4.31 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 79 Q 8.44 4.03 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 80 I 8.00 3.60 1.81 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 1.82 0.59 0.36 0.00 0.00 81 F 8.11 4.40 0.00 3.40 3.32 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 82 T 8.57 4.06 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 1.26 0.00 0.00 83 S 8.16 4.20 0.00 4.00 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 84 Q 7.88 4.31 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.60 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 85 G 7.94 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 86 V 7.81 3.78 2.36 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 0.18 0.00 0.00 0.96 0.00 0.00 87 Q 8.26 4.55 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 88 F 8.68 4.64 0.00 3.03 3.16 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 89 D 9.31 4.74 0.00 2.77 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 90 E 8.26 4.86 0.00 2.01 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 2.41 2.50 0.00 91 V 8.50 4.61 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 0.85 0.00 0.00 0.90 0.00 0.00 92 L 9.08 4.75 0.00 1.69 1.60 1.14 0.77 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 93 I 8.33 4.94 1.77 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 1.20 0.59 0.70 0.00 0.00 94 C 8.94 4.56 0.00 3.13 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 95 P 0.00 4.89 0.00 2.08 2.02 0.00 3.46 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 96 H 7.82 4.96 0.00 3.27 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.84 4.48 0.00 1.71 1.58 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.22 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 99 A 7.93 4.13 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 0.00 100 D 8.05 4.33 0.00 2.83 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 0.00 101 E 7.91 3.72 0.00 2.07 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 2.24 2.37 0.00 102 C 7.60 4.39 0.00 2.85 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 0.00 103 D 8.44 4.51 0.00 2.67 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 0.00 104 C 7.75 4.55 0.00 3.07 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 0.00 105 R 7.79 4.12 0.00 1.88 1.85 0.00 3.19 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 106 K 8.89 4.25 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 107 P 0.00 4.65 0.00 2.15 2.31 0.00 3.75 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 1.94 1.96 0.00 108 K 7.89 4.11 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.40 7.81 109 V 8.07 4.18 2.02 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 0.86 0.00 0.00 0.90 0.00 0.00 110 K 7.97 3.82 0.00 1.91 1.89 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 111 L 7.97 4.15 0.00 1.67 1.76 0.93 0.87 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 0.00 112 V 7.51 4.62 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 0.70 0.00 0.00 0.83 0.00 0.00 113 E 8.07 3.95 0.00 2.22 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 0.00 2.53 2.32 0.00 114 R 7.90 3.81 0.00 1.64 1.56 0.00 3.09 0.00 0.00 3.10 7.33 0.00 0.00 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3.79 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 1.19 0.00 0.00 135 D 8.05 4.35 0.00 2.91 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 0.00 136 I 7.68 3.76 2.00 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 1.70 0.95 0.92 0.00 0.00 137 Q 8.46 3.95 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.12 4.01 0.00 1.87 1.86 0.91 0.79 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 0.00 139 A 7.88 3.95 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 0.00 140 E 8.07 3.86 0.00 2.06 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 2.30 2.35 0.00 141 N 8.26 4.39 0.00 2.83 2.83 0.00 0.00 7.09 8.26 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 0.00 142 M 7.91 4.28 0.00 1.81 2.07 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 143 G 7.87 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 0.00 0.00 0.00 144 I 7.60 4.73 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 1.02 0.00 0.00 145 N 8.27 4.67 0.00 2.99 2.97 0.00 0.00 7.10 7.46 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 0.00 146 G 8.70 4.49 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 0.00 147 L 9.04 4.76 0.00 1.56 1.48 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.63 4.40 0.00 1.81 1.84 0.00 3.24 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 149 Y 8.57 4.14 0.00 2.87 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 0.00 150 D 7.94 4.35 0.00 2.55 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 0.00 0.00 0.00 151 R 8.37 3.68 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 152 E 8.62 4.37 0.00 1.87 1.94 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 2.19 2.18 0.00 153 T 7.80 4.25 4.17 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 1.15 0.00 0.00 154 L 7.45 4.37 0.00 1.59 1.47 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.58 4.75 0.00 3.08 3.01 0.00 0.00 6.12 8.88 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 0.00 156 W 8.74 4.33 0.00 3.79 3.35 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 0.00 157 P 0.00 4.54 0.00 2.21 2.18 0.00 3.96 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 158 M 8.67 4.07 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 159 I 8.08 3.70 1.97 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.83 0.00 0.00 160 G 8.35 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 0.00 0.00 0.00 161 E 8.28 4.09 0.00 2.09 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 2.31 2.32 0.00 162 Q 8.41 3.92 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 163 L 7.94 4.29 0.00 1.41 1.37 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.43 4.59 4.30 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 1.39 0.00 0.00 165 R 7.63 4.01 0.00 1.98 1.99 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 166 R 8.46 4.26 0.00 1.81 1.77 0.00 3.47 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.