NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.7460 8.3093 122.8250 58.3358 40.9092 175.6454 4 N 4.6923 7.5722 126.3015 51.1204 37.1369 169.4542 5 V 3.7807 7.2807 112.0340 61.2651 34.1679 177.5091 6 K 4.5400 8.2939 122.1971 54.8834 33.8165 175.7378 7 T 4.7003 7.9984 112.0302 58.9319 72.0516 171.0022 8 P 4.5334 0.0000 0.0000 62.3472 32.3121 176.3872 9 L 4.3905 8.8268 121.2315 54.5111 43.3366 175.8949 10 L 5.1849 8.6046 123.7738 53.5717 44.4513 174.9874 11 A 5.2374 9.0473 126.9620 50.8924 23.7143 174.0880 12 T 5.1075 8.8115 112.2402 61.2169 71.3588 172.3674 13 D 5.4964 8.9528 127.0225 52.5338 45.2458 174.8739 14 V 4.8741 8.1992 119.1131 61.4507 34.8300 175.1969 15 I 4.0426 8.9730 129.1968 60.1617 38.0567 174.7985 16 I 4.5522 8.0275 129.2754 60.1521 38.7563 175.5173 17 R 4.8034 9.1025 128.2397 55.5786 31.1808 175.5731 18 L 5.0145 8.7702 127.2967 53.9196 43.4235 175.4131 19 W 5.4175 9.4375 124.6760 55.1951 33.9899 174.1461 20 D 4.8893 9.0752 120.9601 52.6403 41.8913 176.5726 21 G 4.1116 8.1336 118.7837 46.2500 0.0000 171.9405 22 E 4.5055 8.9921 122.8845 55.7890 29.8694 175.2151 23 N 4.8613 8.1576 118.4527 51.9323 38.7864 174.3248 24 F 3.8230 8.7306 126.5348 57.7572 39.9029 174.9465 25 K 3.9785 8.2255 126.7207 55.5378 33.9805 175.5303 26 G 3.2669 5.3800 104.4171 43.6189 0.0000 172.2493 27 I 5.5479 8.2460 113.8687 58.2612 41.1815 175.1542 28 V 4.5904 8.2803 123.5169 62.1112 32.1513 175.0029 29 L 5.1728 9.0501 127.8944 52.8619 45.3954 175.5536 30 I 4.9922 8.7937 114.5077 59.2744 41.4307 174.2883 31 E 4.9237 8.6829 123.2328 54.6562 29.9240 176.0249 32 R 4.3178 9.0163 125.1007 56.5331 30.8981 178.2923 33 K 3.9590 8.3304 122.2791 58.7124 32.6077 177.2421 34 Y 4.9381 7.1659 115.1629 55.1890 39.9954 173.6710 35 P 4.3109 0.0000 0.0000 62.5045 31.8525 174.4524 36 P 4.2844 0.0000 0.0000 62.0900 31.7285 176.0717 37 V 3.7073 8.3795 124.0896 60.9579 32.4311 176.0042 38 G 3.7886 6.9642 111.1379 45.6123 0.0000 170.1020 39 L 4.7040 7.1252 121.0178 55.0806 43.2760 176.9883 40 A 4.9682 8.8566 126.3196 50.9163 23.3157 175.2500 41 L 4.6045 8.7192 119.2761 53.8515 42.8820 175.7644 42 P 4.5658 0.0000 0.0000 62.0919 33.0970 176.0202 43 G 4.5977 7.6969 109.5043 45.8380 0.0000 170.6140 44 G 3.9033 7.3553 104.8937 45.7839 0.0000 172.7767 45 F 4.9077 8.8012 118.5513 57.2273 39.7490 175.9726 46 V 4.0325 8.5551 123.3781 62.5658 32.2008 175.8028 47 E 4.3865 9.3237 127.3155 55.1822 30.4974 176.3240 48 V 3.8007 8.1108 121.4681 64.5733 31.9177 176.5496 49 G 3.9518 9.1028 114.7966 45.2245 0.0000 172.2407 50 E 4.6612 7.9083 120.9084 53.9295 31.7711 175.5902 51 R 4.1468 8.9592 125.2165 55.8229 32.1128 178.1943 52 V 3.6907 8.4524 121.2613 66.4497 31.6227 178.3770 53 E 3.4021 8.1074 117.7265 59.1871 29.1680 179.0907 54 E 3.8936 7.9416 118.0139 59.2090 29.5716 178.9670 55 A 4.2511 8.4867 122.0799 54.4470 18.2112 179.4278 56 A 3.8971 7.9477 118.0810 55.3311 18.5727 179.2338 57 A 4.0172 7.5402 117.6693 55.3357 18.6618 179.5120 58 R 4.0312 8.1719 117.1905 59.4601 30.1853 180.1365 59 E 4.3039 8.3607 118.0515 56.3697 29.4178 179.4741 *61 R 4.3411 7.9706 118.5826 56.5490 32.2271 177.6634 62 E 3.9472 8.3597 115.6239 59.8193 28.7436 178.4596 63 E 4.6301 8.9333 119.2918 58.2412 30.7116 178.0903 64 T 4.3284 7.9911 107.0490 59.9282 70.9758 176.0382 65 G 3.9245 8.2557 109.8204 46.0768 0.0000 173.3439 66 L 4.5538 7.5139 118.2808 52.9550 43.3478 176.7762 67 E 4.3239 8.4649 121.6973 55.2229 28.7535 175.2411 68 V 4.3345 8.0070 123.7922 61.5489 33.2359 174.8604 69 R 4.4613 8.8030 128.9567 54.4789 31.3680 175.2910 70 L 4.3465 8.4660 127.2656 55.4709 41.6953 176.3004 71 H 4.8380 9.2907 123.2035 57.2787 32.0763 174.4401 72 K 4.7496 7.8455 117.4314 54.9607 35.5581 175.3338 73 L 4.1967 8.7066 128.9433 54.6342 43.5216 175.4269 *75 G 3.6496 8.3460 108.4297 46.0409 0.0000 171.5477 76 V 4.8059 7.7900 118.9667 61.0921 33.8802 174.0596 77 Y 4.4835 8.9978 126.5760 56.1130 39.5941 176.2918 78 S 4.7527 8.5160 117.4535 57.5202 64.1803 173.3138 79 D 4.3655 8.2771 121.1807 54.5415 41.0568 175.3337 80 P 3.9384 0.0000 0.0000 65.2707 31.4015 176.7794 81 E 4.5497 8.5778 115.7891 55.9183 29.7164 177.1600 82 R 4.0759 8.2308 117.6496 58.0617 29.9328 176.5201 83 D 5.0535 7.9032 118.3448 51.3191 43.1579 174.4793 84 P 4.4653 0.0000 0.0000 65.0566 31.8018 177.7488 85 R 4.0380 8.9100 118.5036 58.4402 30.2153 175.7912 86 A 4.1421 6.8387 117.1366 52.1447 23.1962 174.8750 87 H 4.6538 8.1908 118.4646 55.9899 30.1924 174.1648 88 V 4.8069 8.3757 125.7338 61.0020 33.5126 174.5358 89 V 4.5061 8.8317 128.6007 61.3689 33.5830 174.1565 90 S 5.0360 8.8662 122.4222 56.4455 65.3638 172.6436 91 V 4.1418 8.5972 127.5913 61.8388 32.5159 174.4679 92 V 4.7320 8.4901 129.1453 61.1670 32.9004 174.9927 93 W 5.0318 8.9144 126.8199 55.0031 33.0071 174.3552 94 I 4.8056 8.9398 122.5520 59.8129 39.5152 175.4093 95 G 4.5299 9.1593 112.8987 44.9810 0.0000 170.5080 96 D 5.8087 9.0602 117.4553 52.8883 45.4120 175.0972 97 A 5.0053 9.1089 121.3298 51.0535 23.2252 175.1689 98 Q 5.1566 8.4077 117.7585 53.5886 32.5168 175.2855 99 G 3.8243 8.9682 106.3936 45.0043 0.0000 171.7512 100 E 4.5680 8.1735 119.0325 53.3650 30.9808 173.7453 101 P 4.7217 0.0000 0.0000 62.7604 32.6059 175.6596 102 K 4.5913 8.9442 122.5838 54.4649 34.6929 175.9452 103 A 4.3509 8.3898 129.1269 52.0065 19.3647 176.2209 104 G 3.9145 8.5549 104.8938 45.4303 0.0000 176.8157 105 S 3.6858 9.0603 117.5440 59.7977 61.7941 175.0610 106 D 4.2698 8.8657 130.4570 56.5636 39.2347 174.6791 107 A 4.5458 7.8122 122.9545 50.2017 19.6727 178.1431 108 K 4.2817 8.7473 123.3310 59.7490 32.8745 177.7468 109 K 4.8378 7.7724 117.0630 55.1139 37.0722 175.5886 110 V 4.9884 8.0757 120.2673 60.3552 34.3676 174.3253 111 K 4.6493 9.0892 124.2082 55.0343 36.0336 174.7945 112 V 4.5494 8.1382 125.5592 61.2073 33.0215 174.7163 113 Y 4.6232 8.9674 121.1462 55.8717 41.1842 175.8236 114 R 4.1386 8.5852 122.5882 55.9705 30.9029 177.8981 115 L 4.1320 8.5066 120.8764 57.7374 41.7788 178.1288 116 E 4.3863 8.1303 115.4736 57.0980 29.8177 176.3569 117 E 4.7403 8.0652 118.4092 55.9085 30.5489 175.6115 118 I 3.9069 7.8883 120.4835 60.0532 37.9064 175.1123 119 P 4.5335 0.0000 0.0000 61.1060 30.0249 176.2133 120 L 3.8812 8.2855 127.4368 58.8062 41.8537 178.8499 121 D 4.6720 7.9723 114.5525 55.0594 41.2369 176.7526 122 K 4.3034 8.0419 119.0778 56.4714 32.9761 176.6453 123 L 4.2779 7.3487 119.9071 54.7617 42.1027 177.5226 124 V 3.9090 8.4101 117.1048 60.1889 33.8963 176.4199 125 F 3.7400 7.6737 118.9210 59.5208 37.3112 176.3623 126 D 4.9911 8.5549 124.3263 54.7398 39.8105 178.4686 127 H 4.2618 8.2573 119.9819 59.1193 28.4585 177.3359 128 K 3.9484 7.9987 121.6679 59.2380 32.1180 178.8275 129 K 4.0048 7.9221 118.3634 59.4966 32.0805 179.2859 130 I 3.4512 7.4604 119.8560 64.4144 36.8797 178.6728 131 I 3.8670 8.0366 120.9719 64.2901 36.8046 178.5547 132 L 4.0645 8.2261 120.0846 57.7858 41.3590 179.1717 133 D 4.4689 8.3475 118.9962 57.2507 40.7827 178.5903 134 F 4.4148 8.3755 121.0817 61.5924 39.2807 177.1913 135 L 3.7132 8.1375 117.3690 57.3588 41.5156 178.9023 136 K 4.2996 8.2574 115.8862 55.7279 32.3139 177.2727 137 G 3.6424 7.7292 107.2007 46.5095 0.0000 174.8990 138 N 4.6064 8.3442 119.6659 50.4208 37.3373 174.5895 139 Y 4.4027 6.9571 119.9665 57.4844 37.4014 174.9048 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 3 F 8.31 4.75 0.00 2.96 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 4 N 7.57 4.69 0.00 2.79 2.70 0.00 0.00 6.25 6.79 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 5 V 7.28 3.78 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 0.09 0.00 0.00 0.86 0.00 0.00 6 K 8.29 4.54 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.30 7.81 7 T 8.00 4.70 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 1.24 0.00 0.00 8 P 0.00 4.53 0.00 1.82 1.69 0.00 3.65 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 1.91 2.06 0.00 9 L 8.83 4.39 0.00 1.77 1.71 0.79 0.74 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 10 L 8.60 5.18 0.00 1.80 1.59 1.00 0.90 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 11 A 9.05 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.81 5.11 4.41 0.00 0.00 0.00 0.00 0.00 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 13 D 8.95 5.50 0.00 2.52 2.47 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 14 V 8.20 4.87 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 0.87 0.00 0.00 1.03 0.00 0.00 15 I 8.97 4.04 1.45 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 -0.06 0.00 0.00 16 I 8.03 4.55 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.97 0.00 0.00 17 R 9.10 4.80 0.00 2.40 2.14 0.00 3.14 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 1.90 1.72 0.00 18 L 8.77 5.01 0.00 1.75 1.39 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 W 9.44 5.42 0.00 3.41 3.29 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 20 D 9.08 4.89 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.13 4.11 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 0.00 0.00 0.00 22 E 8.99 4.51 0.00 2.19 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 2.27 2.41 0.00 23 N 8.16 4.86 0.00 3.02 2.86 0.00 0.00 6.66 9.19 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 24 F 8.73 3.82 0.00 1.81 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 25 K 8.23 3.98 0.00 1.57 1.58 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.41 7.81 26 G 5.38 3.27 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 0.00 27 I 8.25 5.55 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 1.03 0.00 0.00 28 V 8.28 4.59 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 0.82 0.00 0.00 0.93 0.00 0.00 29 L 9.05 5.17 0.00 1.80 1.50 0.48 0.34 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 30 I 8.79 4.99 1.94 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 1.39 1.16 0.92 0.00 0.00 31 E 8.68 4.92 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 32 R 9.02 4.32 0.00 1.65 1.81 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 33 K 8.33 3.96 0.00 0.79 1.19 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.31 7.81 34 Y 7.17 4.94 0.00 3.05 2.85 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 35 P 0.00 4.31 0.00 2.08 2.03 0.00 3.82 0.00 0.00 3.88 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 36 P 0.00 4.28 0.00 1.85 1.85 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.00 37 V 8.38 3.71 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 0.80 0.00 0.00 0.95 0.00 0.00 38 G 6.96 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 39 L 7.13 4.70 0.00 1.84 1.56 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.86 4.97 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 41 L 8.72 4.60 0.00 1.38 1.51 0.65 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.57 0.00 2.12 2.18 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 43 G 7.70 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.36 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 45 F 8.80 4.91 0.00 3.01 2.97 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 46 V 8.56 4.03 2.17 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 0.80 0.00 0.00 1.02 0.00 0.00 47 E 9.32 4.39 0.00 2.11 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 2.36 2.43 0.00 48 V 8.11 3.80 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 0.79 0.00 0.00 0.95 0.00 0.00 49 G 9.10 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 50 E 7.91 4.66 0.00 2.02 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 2.22 2.25 0.00 51 R 8.96 4.15 0.00 1.97 1.84 0.00 3.35 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 52 V 8.45 3.69 2.39 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 1.63 0.00 0.00 1.06 0.00 0.00 53 E 8.11 3.40 0.00 1.91 1.65 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 1.98 1.47 0.00 54 E 7.94 3.89 0.00 2.14 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 2.36 2.33 0.00 55 A 8.49 4.25 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 56 A 7.95 3.90 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 57 A 7.54 4.02 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 58 R 8.17 4.03 0.00 1.92 2.15 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 59 E 8.36 4.30 0.00 2.14 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 2.49 2.58 0.00 *61 R 7.97 4.34 0.00 2.09 2.01 0.00 3.13 0.00 0.00 3.56 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 62 E 8.36 3.95 0.00 2.00 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 2.36 2.46 0.00 63 E 8.93 4.63 0.00 1.90 1.99 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 2.32 2.42 0.00 64 T 7.99 4.33 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 65 G 8.26 3.92 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 0.00 0.00 0.00 66 L 7.51 4.55 0.00 1.68 1.61 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.46 4.32 0.00 1.95 1.93 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 2.25 2.22 0.00 68 V 8.01 4.33 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 0.81 0.00 0.00 0.94 0.00 0.00 69 R 8.80 4.46 0.00 1.90 1.79 0.00 3.13 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 70 L 8.47 4.35 0.00 1.34 1.40 -0.15 0.85 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 H 9.29 4.84 0.00 3.24 3.54 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.85 4.75 0.00 1.97 1.73 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.58 7.81 73 L 8.71 4.20 0.00 1.58 1.53 0.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *75 G 8.35 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 76 V 7.79 4.81 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 0.78 0.00 0.00 0.77 0.00 0.00 77 Y 9.00 4.48 0.00 2.91 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 78 S 8.52 4.75 0.00 3.96 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 79 D 8.28 4.37 0.00 2.76 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 80 P 0.00 3.94 0.00 2.00 1.90 0.00 3.70 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 1.98 2.00 0.00 81 E 8.58 4.55 0.00 2.06 1.99 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 2.27 2.38 0.00 82 R 8.23 4.08 0.00 2.05 2.13 0.00 3.10 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.58 0.00 83 D 7.90 5.05 0.00 2.53 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 84 P 0.00 4.47 0.00 2.29 2.24 0.00 4.19 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 85 R 8.91 4.04 0.00 2.04 2.14 0.00 3.38 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 86 A 6.84 4.14 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 87 H 8.19 4.65 0.00 3.30 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.38 4.81 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 0.77 0.00 0.00 1.20 0.00 0.00 89 V 8.83 4.51 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 1.00 0.00 0.00 0.87 0.00 0.00 90 S 8.87 5.04 0.00 3.82 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 91 V 8.60 4.14 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 0.17 0.00 0.00 0.88 0.00 0.00 92 V 8.49 4.73 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 0.72 0.00 0.00 0.89 0.00 0.00 93 W 8.91 5.03 0.00 3.29 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 94 I 8.94 4.81 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.70 1.02 0.00 0.00 95 G 9.16 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.06 5.81 0.00 2.62 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 97 A 9.11 5.01 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 98 Q 8.41 5.16 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.41 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 99 G 8.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.17 4.57 0.00 1.89 1.84 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 2.18 2.31 0.00 101 P 0.00 4.72 0.00 2.11 2.03 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 102 K 8.94 4.59 0.00 1.66 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 103 A 8.39 4.35 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 0.00 104 G 8.55 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 S 9.06 3.69 0.00 4.04 3.18 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 0.00 106 D 8.87 4.27 0.00 3.01 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 0.00 107 A 7.81 4.55 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 0.00 108 K 8.75 4.28 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 109 K 7.77 4.84 0.00 1.65 1.63 0.00 1.61 0.00 0.00 2.01 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.42 7.81 110 V 8.08 4.99 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 0.66 0.00 0.00 0.94 0.00 0.00 111 K 9.09 4.65 0.00 1.71 1.52 0.00 1.37 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.80 1.13 7.81 112 V 8.14 4.55 1.99 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 0.61 0.00 0.00 0.86 0.00 0.00 113 Y 8.97 4.62 0.00 2.80 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 0.00 114 R 8.59 4.14 0.00 1.97 2.03 0.00 3.39 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 115 L 8.51 4.13 0.00 1.75 1.87 1.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.13 4.39 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 117 E 8.07 4.74 0.00 2.00 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 2.25 2.26 0.00 118 I 7.89 3.91 1.84 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 1.44 0.68 0.73 0.00 0.00 119 P 0.00 4.53 0.00 2.16 2.20 0.00 3.18 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 120 L 8.29 3.88 0.00 1.71 1.77 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.97 4.67 0.00 2.64 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 0.00 122 K 8.04 4.30 0.00 1.88 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.35 7.81 123 L 7.35 4.28 0.00 1.67 1.58 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.41 3.91 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 0.48 0.00 0.00 0.47 0.00 0.00 125 F 7.67 3.74 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.55 4.99 0.00 2.82 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 0.00 127 H 8.26 4.26 0.00 3.37 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.00 3.95 0.00 1.93 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 129 K 7.92 4.00 0.00 1.98 1.89 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.55 7.81 130 I 7.46 3.45 1.58 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 -0.29 0.16 0.60 0.00 0.00 131 I 8.04 3.87 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.99 0.00 0.00 132 L 8.23 4.06 0.00 1.94 1.76 0.94 0.93 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 0.00 133 D 8.35 4.47 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.38 4.41 0.00 3.09 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 0.00 135 L 8.14 3.71 0.00 1.66 1.70 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.26 4.30 0.00 1.81 1.84 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.57 7.81 137 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.61 0.00 2.68 2.97 0.00 0.00 6.89 7.09 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 0.00 139 Y 6.96 4.40 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.