NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5683 8.3293 117.6273 57.4290 28.5559 173.0052 11 P 4.5704 0.0000 0.0000 62.3179 32.7242 174.0380 12 L 5.1633 7.7558 122.5669 53.7685 45.2366 176.0664 13 M 4.9214 9.2855 125.6990 53.6971 36.1513 173.7697 14 V 4.8595 8.3999 124.5454 60.9183 34.8561 174.0531 15 K 5.0045 9.0702 128.3385 54.5979 35.5142 174.8144 16 V 4.8700 8.8756 126.6191 61.0808 34.8140 174.1110 17 L 5.1098 8.9258 126.8075 52.9210 45.8739 174.8570 18 D 5.1769 9.1742 121.5357 52.7955 42.3892 176.5987 19 A 4.3245 9.2965 128.4365 53.5764 18.5691 178.4961 20 V 3.9237 8.8859 115.6900 65.1107 32.0017 177.3002 21 R 4.2019 8.5316 116.3874 56.0244 31.1563 175.9723 22 G 3.7878 8.5090 105.2240 45.6493 0.0000 172.1170 23 S 4.8336 7.3022 112.0772 55.7881 67.3620 173.1332 24 P 4.5774 0.0000 0.0000 63.0592 31.9444 175.9395 25 A 4.3735 8.6922 124.4871 51.0969 19.5124 176.3688 26 I 4.2686 8.4030 122.5853 61.2990 39.0563 175.6941 27 N 4.2272 8.5692 121.1032 54.3678 36.6646 174.3629 28 V 4.0561 7.7376 118.5629 62.0779 32.8450 175.0523 29 A 4.6829 8.5886 129.8767 51.9016 20.0435 176.1012 30 V 4.7477 8.8836 121.1894 61.4089 35.1847 173.8337 31 H 5.1032 9.2912 124.8745 53.9002 31.7357 172.9036 32 V 4.8480 8.9655 123.9931 61.1932 33.9416 174.4289 33 F 5.7230 9.3032 125.0850 54.6846 43.2419 173.8352 34 R 4.8221 8.7141 120.1067 54.1589 32.7161 175.0453 35 K 3.8412 8.7279 126.4688 56.4435 32.5775 177.1921 36 A 4.3278 8.8318 128.5255 50.3496 20.3901 177.7063 37 A 3.8808 8.4220 121.7904 55.3686 18.2898 178.3683 38 D 4.4432 7.8838 112.3735 53.3877 39.7849 176.3522 39 D 4.3036 8.1210 118.6552 54.8943 40.5171 173.4633 40 T 4.2147 7.1256 107.2083 59.6054 70.7153 174.0120 41 W 4.6660 8.3715 125.2120 56.7049 28.8712 177.2547 *42 E 4.2087 8.4794 116.6709 55.0506 31.1069 170.9826 43 P 4.3852 0.0000 0.0000 62.5783 32.8273 174.9051 44 F 4.8530 8.7470 122.8450 59.3871 41.4529 174.5143 45 A 4.5075 7.7519 117.2555 51.6138 22.3107 174.6259 46 S 4.6594 7.7441 112.5758 57.8145 66.1144 174.0801 47 G 3.9916 7.8711 105.1014 46.4511 0.0000 172.0209 48 K 5.3475 8.5517 118.0894 54.3579 36.1524 176.9181 49 T 4.2324 8.5522 114.5190 61.9912 70.1736 174.9570 50 S 4.7358 8.7436 118.8646 57.4161 65.0309 174.4670 51 E 3.9628 8.6539 118.8481 59.0956 29.1395 178.0065 52 S 4.3422 7.8978 111.7058 57.8833 63.6311 175.1198 53 G 3.9052 8.4424 110.2188 45.3139 0.0000 172.7182 54 E 5.0491 7.6139 118.4653 54.2877 32.8138 175.1035 55 L 4.8004 8.8088 124.2147 53.9743 43.4610 175.1550 56 H 4.8542 8.7742 123.1059 54.5489 32.7662 175.4655 57 G 3.9217 8.7056 105.5492 46.3173 0.0000 175.7284 58 L 3.7619 7.1968 121.6076 57.5555 41.6374 176.6886 59 T 4.4559 7.0215 108.5420 61.2390 70.7606 171.7849 60 T 4.7988 8.0580 111.2596 59.2333 71.6914 174.5912 61 E 4.1577 8.9692 121.7162 59.8677 29.7944 178.8334 62 E 4.1990 8.3640 116.9216 59.5834 29.6353 178.2205 63 E 4.2698 8.1131 116.5700 58.6267 30.1228 177.6152 64 F 5.0992 8.0764 122.9549 57.1366 37.6410 174.6508 65 V 4.0351 7.5522 117.6490 59.6578 33.3273 175.5845 66 E 4.4979 8.0750 121.5048 55.7580 30.1558 176.3225 67 G 3.7832 7.9646 111.6410 46.6003 0.0000 170.5375 68 I 4.7526 7.1753 120.2355 60.0291 38.8428 175.0222 69 Y 5.1039 8.7669 124.8777 55.8744 41.6040 174.6558 70 K 4.7891 9.0413 123.2284 54.6502 35.2810 174.8676 71 V 4.6383 9.0247 128.6095 61.4891 33.2554 173.9115 72 E 4.8882 9.4345 130.7160 54.7582 31.4249 174.3900 73 I 4.4289 8.7886 128.8854 59.8061 39.2368 175.9877 74 D 4.6782 8.7776 130.3566 53.4484 37.8709 177.2268 75 T 3.8819 7.7199 114.0930 64.2703 69.3635 176.7800 76 K 4.1486 7.8484 121.1482 59.6016 32.2983 178.8285 77 S 4.1401 8.1905 114.9564 61.7785 62.8695 175.8617 78 Y 3.9181 7.7587 122.0367 60.7231 38.4866 178.4295 79 W 4.3608 8.3266 119.7931 59.7361 29.1801 178.8139 80 K 4.3333 8.8920 119.9331 58.6616 31.2752 179.1203 81 A 4.1474 7.8994 120.0001 53.8971 18.2775 178.4936 82 L 4.4940 6.9967 115.1491 53.7558 41.9787 176.6437 83 G 3.9508 7.9804 106.4002 46.6250 0.0000 173.8889 84 I 4.4781 8.1831 119.9066 59.1803 39.7568 175.5592 85 S 4.5495 8.5257 120.9214 56.5446 62.1957 172.2837 86 P 4.4925 0.0000 0.0000 61.1399 33.0174 176.4639 87 F 3.8072 8.2859 120.6665 61.0278 39.2445 175.5029 88 H 4.5610 7.8255 115.5622 54.7117 29.8953 175.4010 89 E 4.0161 8.6339 122.3142 59.5729 29.5126 176.2430 90 H 4.9012 7.7362 110.0536 55.7526 31.7277 172.3319 91 A 4.4389 8.7637 120.5513 50.0080 21.0157 175.5223 92 E 5.0327 8.8690 121.3353 54.3921 32.6719 175.6733 93 V 4.4444 8.9854 124.1029 61.2054 34.3095 174.1597 94 V 5.1407 8.5612 128.0916 61.1221 33.7772 174.4410 95 F 5.0914 8.7463 121.2175 56.0947 41.5585 173.2305 96 T 4.7891 8.7185 117.2437 63.1830 69.5109 173.9897 97 A 4.6643 8.8325 127.5763 50.6863 22.4382 176.0642 98 N 5.1344 9.4764 115.8597 53.9778 36.6826 176.2942 99 D 4.4931 8.2920 118.8640 56.3147 41.5042 176.6334 100 S 4.6452 8.2437 114.7533 58.0777 63.9009 174.6268 101 G 4.0142 7.9081 105.8816 43.9406 0.0000 171.8808 102 P 4.8127 0.0000 0.0000 63.0626 31.5793 175.7616 103 R 4.7309 8.7156 119.5511 54.5679 34.6502 174.4265 104 R 4.8335 8.7035 119.7015 55.0303 32.3324 175.1945 105 Y 4.9677 9.2467 121.6794 56.4743 41.0894 174.6307 106 T 4.9197 8.9025 121.4872 61.9712 71.0443 173.4551 107 I 4.6622 8.7568 128.2170 59.7119 39.0929 174.6660 108 A 5.3407 8.8478 128.9376 50.1097 22.1603 174.9102 109 A 5.1533 8.8330 121.1707 50.1361 23.3281 174.8378 110 L 5.0154 9.1903 124.0857 53.3339 44.6161 174.9657 111 L 5.4077 9.0614 126.9041 53.3838 44.2149 175.8996 112 S 5.2374 9.3981 118.3513 56.0562 67.1553 173.3993 113 P 3.1495 0.0000 0.0000 65.1679 31.0932 177.8154 114 Y 4.6276 7.7814 112.2912 57.1728 38.5599 175.0753 115 S 4.7777 8.0463 113.6767 57.7774 65.9499 172.8780 116 Y 5.4685 7.7870 118.4990 56.1903 40.8779 173.8190 117 S 4.9572 9.1234 115.7118 57.2777 67.0247 173.0961 118 T 5.1910 8.3186 115.1374 61.2115 70.5133 172.4291 119 T 4.8638 8.9060 120.7435 60.5519 71.7790 171.9080 120 A 5.1403 8.4913 125.1632 49.9605 22.1684 175.5304 121 V 4.2614 8.6681 121.4979 61.0302 33.9548 174.4745 122 V 4.6777 8.4104 127.8884 61.2225 33.5686 174.4406 123 T 4.7043 8.6518 117.2620 59.7641 72.7344 172.0720 124 N 4.9925 8.5934 122.8343 51.8170 41.0196 173.1174 *125 P 4.2221 0.0000 0.0000 62.3525 31.6097 172.6038 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 10 C 8.33 4.57 0.00 2.75 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 11 P 0.00 4.57 0.00 2.60 2.51 0.00 3.73 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 2.03 2.21 0.00 12 L 7.76 5.16 0.00 0.88 1.13 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.29 4.92 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 14 V 8.40 4.86 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 0.94 0.00 0.00 0.89 0.00 0.00 15 K 9.07 5.00 0.00 1.75 1.53 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.30 7.81 16 V 8.88 4.87 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 0.78 0.00 0.00 0.79 0.00 0.00 17 L 8.93 5.11 0.00 1.58 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.17 5.18 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.30 4.32 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 3.92 2.60 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 0.93 0.00 0.00 1.07 0.00 0.00 21 R 8.53 4.20 0.00 1.93 2.03 0.00 3.66 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 22 G 8.51 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 23 S 7.30 4.83 0.00 3.88 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 24 P 0.00 4.58 0.00 2.12 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 25 A 8.69 4.37 0.60 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 26 I 8.40 4.27 1.91 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 1.51 0.79 0.91 0.00 0.00 27 N 8.57 4.23 0.00 2.92 2.93 0.00 0.00 6.90 7.11 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 28 V 7.74 4.06 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 0.76 0.00 0.00 0.51 0.00 0.00 29 A 8.59 4.68 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 30 V 8.88 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.85 0.00 0.00 31 H 9.29 5.10 0.00 3.09 2.76 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.97 4.85 2.32 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 1.22 0.00 0.00 0.94 0.00 0.00 33 F 9.30 5.72 0.00 2.89 3.23 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 34 R 8.71 4.82 0.00 1.28 1.72 0.00 2.91 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 35 K 8.73 3.84 0.00 1.14 1.33 0.00 1.22 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.60 0.21 7.81 36 A 8.83 4.33 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 37 A 8.42 3.88 1.25 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 0.00 0.00 38 D 7.88 4.44 0.00 3.01 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 39 D 8.12 4.30 0.00 2.97 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 40 T 7.13 4.21 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 1.15 0.00 0.00 41 W 8.37 4.67 0.00 3.14 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 *42 E 8.48 4.21 0.00 1.87 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 2.21 2.40 0.00 43 P 0.00 4.39 0.00 2.11 2.07 0.00 3.72 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 2.04 2.33 0.00 44 F 8.75 4.85 0.00 3.05 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.75 4.51 1.07 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 46 S 7.74 4.66 0.00 3.65 3.59 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 47 G 7.87 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 48 K 8.55 5.35 0.00 1.55 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 49 T 8.55 4.23 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 1.18 0.00 0.00 50 S 8.74 4.74 0.00 4.00 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 51 E 8.65 3.96 0.00 2.23 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 2.31 1.87 0.00 52 S 7.90 4.34 0.00 4.01 3.97 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 53 G 8.44 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 54 E 7.61 5.05 0.00 1.97 1.70 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 2.19 2.39 0.00 55 L 8.81 4.80 0.00 1.61 1.53 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.77 4.85 0.00 3.06 3.15 0.00 5.75 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 57 G 8.71 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 58 L 7.20 3.76 0.00 1.67 1.69 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.02 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 0.96 0.00 0.00 60 T 8.06 4.80 4.28 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 1.21 0.00 0.00 61 E 8.97 4.16 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.92 0.00 62 E 8.36 4.20 0.00 2.01 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 2.36 2.38 0.00 63 E 8.11 4.27 0.00 2.09 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 2.37 2.36 0.00 64 F 8.08 5.10 0.00 3.15 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 65 V 7.55 4.04 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 0.81 0.00 0.00 1.02 0.00 0.00 66 E 8.07 4.50 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.10 0.00 67 G 7.96 3.78 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 0.00 0.00 0.00 68 I 7.18 4.75 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 1.00 0.00 0.00 69 Y 8.77 5.10 0.00 1.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.04 4.79 0.00 0.79 0.79 0.00 0.74 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.96 7.81 71 V 9.02 4.64 2.21 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 0.97 0.00 0.00 1.14 0.00 0.00 72 E 9.43 4.89 0.00 1.99 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 2.28 1.99 0.00 73 I 8.79 4.43 1.72 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 1.15 0.58 0.76 0.00 0.00 74 D 8.78 4.68 0.00 2.81 2.65 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 75 T 7.72 3.88 4.45 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 1.10 0.00 0.00 76 K 7.85 4.15 0.00 2.15 1.90 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 77 S 8.19 4.14 0.00 4.09 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 78 Y 7.76 3.92 0.00 2.81 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 79 W 8.33 4.36 0.00 3.52 3.31 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 80 K 8.89 4.33 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 81 A 7.90 4.15 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 82 L 7.00 4.49 0.00 1.87 1.67 0.26 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.98 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 84 I 8.18 4.48 2.26 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 1.35 1.33 0.78 0.00 0.00 85 S 8.53 4.55 0.00 3.90 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 86 P 0.00 4.49 0.00 2.16 1.82 0.00 3.80 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 2.02 2.23 0.00 87 F 8.29 3.81 0.00 1.51 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 88 H 7.83 4.56 0.00 3.28 3.45 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.63 4.02 0.00 1.70 1.75 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 2.24 2.11 0.00 90 H 7.74 4.90 0.00 3.19 3.23 0.00 5.10 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.76 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.87 5.03 0.00 2.13 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 2.19 1.83 0.00 93 V 8.99 4.44 2.20 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 1.11 0.00 0.00 0.98 0.00 0.00 94 V 8.56 5.14 2.20 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 1.18 0.00 0.00 0.91 0.00 0.00 95 F 8.75 5.09 0.00 3.16 3.10 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 96 T 8.72 4.79 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 1.27 0.00 0.00 97 A 8.83 4.66 0.67 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 0.00 0.00 98 N 9.48 5.13 0.00 2.76 2.87 0.00 0.00 6.55 7.78 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 99 D 8.29 4.49 0.00 2.93 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 0.00 100 S 8.24 4.65 0.00 3.88 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 0.00 101 G 7.91 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 0.00 102 P 0.00 4.81 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 103 R 8.72 4.73 0.00 1.21 1.52 0.00 3.19 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 104 R 8.70 4.83 0.00 1.75 1.82 0.00 3.18 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 105 Y 9.25 4.97 0.00 2.91 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 0.00 106 T 8.90 4.92 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 0.00 107 I 8.76 4.66 1.83 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.87 0.00 0.00 108 A 8.85 5.34 1.19 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 0.00 109 A 8.83 5.15 1.16 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 0.00 110 L 9.19 5.02 0.00 1.76 1.58 0.98 0.46 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 0.00 111 L 9.06 5.41 0.00 1.77 2.00 0.46 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.40 5.24 0.00 3.92 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 0.00 113 P 0.00 3.15 0.00 2.10 1.69 0.00 3.32 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.75 0.00 114 Y 7.78 4.63 0.00 2.79 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 0.00 115 S 8.05 4.78 0.00 3.94 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 0.00 116 Y 7.79 5.47 0.00 3.09 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 0.00 117 S 9.12 4.96 0.00 3.82 3.77 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 0.00 118 T 8.32 5.19 4.42 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 1.34 0.00 0.00 119 T 8.91 4.86 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 1.21 0.00 0.00 120 A 8.49 5.14 1.11 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 0.00 121 V 8.67 4.26 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 0.98 0.00 0.00 0.91 0.00 0.00 122 V 8.41 4.68 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 0.45 0.00 0.00 0.91 0.00 0.00 123 T 8.65 4.70 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 124 N 8.59 4.99 0.00 2.67 2.69 0.00 0.00 6.85 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 *125 P 0.00 4.22 0.00 1.88 1.85 0.00 3.69 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 1.85 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.