NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.2690 8.0393 120.6583 63.1692 32.7356 174.2460 5 T 4.6353 8.5043 117.0794 59.3540 72.8526 171.1772 6 I 4.5024 8.4135 123.4181 60.9560 37.8220 177.4518 7 V 3.8882 8.8338 128.2653 65.2169 32.2665 176.1150 8 K 4.5621 7.6300 119.2183 55.1398 35.3421 174.2912 9 E 5.2960 8.3484 122.7633 54.6044 33.0453 174.3206 10 G 3.9973 7.8434 108.4971 45.9176 0.0000 171.7475 11 W 5.2007 8.9187 120.1485 56.6097 29.9517 176.6343 12 V 4.7997 9.3595 116.4137 59.9368 35.9027 174.1248 13 Q 5.0430 8.7611 121.2929 54.5730 30.7080 174.8804 14 K 4.6848 9.1656 124.7777 54.3000 35.5259 175.4281 15 R 4.1076 8.3535 126.9572 55.7575 30.4137 177.0745 16 G 4.2343 8.2345 110.7874 46.1857 0.0000 173.4319 17 E 4.2749 8.7920 118.9710 56.8612 30.1943 176.4596 18 Y 4.3369 7.7926 114.3612 59.0882 39.9727 175.3985 19 I 4.2119 7.4757 119.5970 60.2672 38.1545 176.7526 20 K 4.2713 8.4772 123.7220 56.8446 32.5453 176.9067 21 N 4.3353 7.8430 117.3027 53.3926 39.7678 174.1171 22 W 4.9137 8.5818 121.4724 56.9478 30.0539 176.0001 23 R 4.9867 9.1875 122.6652 53.5364 34.1727 172.9095 24 P 5.2217 0.0000 0.0000 62.7149 32.3081 175.7885 25 R 5.1183 9.6632 120.8488 54.9581 35.3017 173.3812 26 Y 4.3721 8.8542 124.1609 56.1641 40.2051 174.2939 27 F 4.9733 8.6252 125.8508 55.5805 42.2612 174.7483 28 L 5.3427 8.9842 122.0992 53.0100 44.7769 175.0322 29 L 5.3302 9.3841 126.6463 53.6083 44.0398 175.4565 30 K 5.2657 8.8750 125.6390 54.5206 35.0716 177.6416 31 T 3.9142 8.6510 112.3409 64.1684 68.7026 174.8726 32 D 4.5716 8.0688 120.3688 53.2933 39.8925 177.1579 33 G 3.9843 8.4508 110.4746 45.1443 0.0000 173.8513 34 S 4.6122 8.4902 115.7754 58.2949 64.6832 173.4314 35 F 5.4517 9.0265 124.7013 56.7991 41.8635 173.2085 36 I 4.5851 8.9449 128.1245 59.2070 39.8540 175.0915 37 G 2.9327 7.9014 114.2233 43.9624 0.0000 171.7294 38 Y 5.0421 8.3882 119.9147 55.4342 41.9168 176.8026 39 K 4.0418 9.1118 124.5516 59.8280 32.6070 177.0847 40 E 4.9696 7.7019 111.9440 53.4765 33.9371 177.8452 41 K 2.8738 8.2390 119.1821 56.3007 32.6440 175.9853 42 P 3.8465 0.0000 0.0000 66.1892 31.3606 179.1590 43 Q 3.9437 7.7007 116.3089 57.6450 28.0115 179.9384 44 D 4.7185 7.7870 114.3521 55.0100 41.1088 176.4918 45 V 4.5237 7.4164 113.9857 60.0381 35.6448 176.1040 46 D 4.4877 8.9073 123.5547 56.1302 40.1562 178.4246 47 L 4.8579 7.4036 118.5222 51.3485 41.3278 175.9707 48 P 4.5325 0.0000 0.0000 63.1413 32.5082 177.4606 *49 Y 4.6641 8.3397 118.7022 54.4332 40.1844 172.1481 50 P 3.8901 0.0000 0.0000 61.5219 31.9189 176.4884 51 L 4.4046 8.1896 122.5032 56.0663 42.6587 176.7708 52 N 5.1008 7.4546 115.2917 51.7092 43.3868 173.5630 53 N 5.1032 8.7221 121.2757 53.0407 41.2001 173.0997 54 F 5.1191 8.6674 121.0839 55.3971 42.1628 173.3034 55 S 5.0572 8.7877 114.1293 57.4608 63.5718 174.0910 56 V 4.1785 8.6085 118.4119 60.9437 31.7194 175.9014 57 A 4.1220 7.8067 124.1025 53.7435 18.4400 178.0061 58 K 3.8983 8.8707 120.1876 57.1301 29.7927 175.5722 59 C 4.6594 7.8549 113.8286 58.4731 30.5878 172.7520 60 Q 4.8453 8.5160 117.8969 54.2068 31.6453 174.7743 61 L 5.3323 8.4144 120.4458 53.3547 45.3547 175.8721 62 M 4.9161 9.0621 122.0401 53.4542 35.9081 174.4470 63 K 5.3282 8.8104 122.0302 54.9883 34.8937 175.4748 64 T 4.8718 9.0048 113.5292 60.5232 72.5834 174.0716 65 E 4.8340 9.0186 118.8980 56.0182 31.3779 176.5106 66 R 4.8193 7.6716 117.2204 53.3592 33.6531 173.8590 67 P 4.4300 0.0000 0.0000 64.5270 31.7321 176.4907 68 K 4.5537 7.7988 117.9234 53.4013 34.3536 174.2038 69 P 4.5318 0.0000 0.0000 63.9265 31.9810 175.2992 70 N 4.3458 9.1215 115.5649 54.8165 36.7399 174.3049 71 T 4.8857 7.7446 114.2196 63.2729 70.1844 174.1736 72 F 5.6261 9.2690 120.2057 55.2107 41.5668 173.5768 73 I 5.0139 9.2542 122.9710 59.6859 39.9888 174.3488 74 I 4.9876 8.9068 128.2102 59.6244 39.2993 175.3922 75 R 4.4930 8.9256 127.7475 56.2597 32.0049 175.0015 76 C 4.7488 9.6904 123.1190 58.4102 29.5543 172.3792 77 L 5.0870 8.5909 128.6894 53.7743 44.1981 176.3730 78 Q 3.9447 8.7888 124.3122 53.3654 32.2453 173.8181 79 W 3.7924 8.4986 127.5611 57.3157 27.3447 175.7607 80 T 4.5205 9.3683 116.3571 62.3118 69.6939 174.4048 81 T 4.2518 8.3731 121.5867 63.4286 69.7248 173.7852 82 V 4.4344 8.3752 126.9398 62.1376 32.3939 175.0536 83 I 4.5605 8.9838 128.5999 59.5235 40.7389 174.0531 84 E 4.9140 8.7407 126.0928 54.8114 31.2897 175.5234 85 R 4.4949 8.8054 122.9298 54.4949 33.8674 174.7224 86 T 4.9389 7.8732 118.8427 61.7767 71.7327 172.9966 87 F 5.4082 9.1376 124.8506 55.9344 43.1562 173.7606 88 H 5.4155 9.0974 115.3387 54.6610 32.3478 172.6512 89 V 5.0428 8.1924 111.6503 60.2177 34.8067 174.9435 90 D 4.6453 8.9942 119.4093 56.5582 41.6622 177.3679 91 T 4.8065 7.4977 108.2528 58.3952 73.2290 172.9001 92 P 4.4911 0.0000 0.0000 65.4992 31.4380 178.5998 93 E 3.9267 8.1300 118.1263 59.2551 29.5393 178.7050 94 E 3.9364 8.2749 119.4632 59.0027 29.6785 178.7029 95 R 3.9507 8.0125 118.7075 59.6197 30.1209 178.2227 96 E 4.0189 8.3309 120.3599 58.4072 29.5451 178.4987 97 E 3.8012 8.0108 118.8801 59.2031 29.4746 179.3239 98 W 4.0955 7.6937 118.6772 59.9835 28.9365 178.7294 99 T 3.8420 7.8891 109.5674 64.2465 68.2351 176.8001 100 E 3.8886 8.3817 121.7305 59.1931 29.4640 179.0834 101 A 3.8756 7.8456 120.5963 55.1839 18.4116 179.7110 102 I 3.4791 7.9293 118.6757 64.5695 37.0951 178.4804 103 Q 3.8876 7.9809 120.1048 59.1057 28.8749 178.1778 104 A 3.9382 8.2432 122.1128 54.9920 18.3500 179.7849 105 V 3.4735 7.9767 116.6607 66.0725 31.6229 177.9963 106 A 3.9682 8.1003 120.5834 55.3670 18.2097 179.3500 107 D 4.2713 8.3765 117.5917 57.4173 40.8879 178.9192 108 R 3.8772 8.0047 119.1219 59.5826 30.1091 178.5898 109 L 4.0111 8.0934 118.7888 57.7192 41.5751 179.3756 110 Q 4.0123 8.4368 122.1351 59.8316 29.0500 178.9260 111 R 3.9850 8.0537 121.6782 61.7113 29.4887 180.6900 112 Q 4.4992 8.0130 119.8107 58.1169 28.6216 178.3876 113 E 3.9536 8.3657 120.6009 59.2957 29.4842 178.6580 114 E 4.0086 8.0465 117.5633 59.5708 29.9101 178.9718 115 E 4.1854 8.5401 121.0808 59.8416 29.4876 180.1437 116 R 4.2405 8.0056 122.9014 61.8619 29.4684 181.6280 117 M 4.4720 8.4018 119.0120 58.1107 31.4069 178.4963 118 N 4.7973 7.5763 119.6599 54.2436 39.1490 174.3308 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 V 8.04 4.27 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 1.00 0.00 0.00 0.94 0.00 0.00 5 T 8.50 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 1.21 0.00 0.00 6 I 8.41 4.50 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 1.03 0.00 0.00 7 V 8.83 3.89 2.16 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 0.62 0.00 0.00 0.91 0.00 0.00 8 K 7.63 4.56 0.00 1.42 0.89 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.40 0.90 7.81 9 E 8.35 5.30 0.00 2.03 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 0.00 2.19 2.38 0.00 10 G 7.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.92 5.20 0.00 3.40 3.26 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 12 V 9.36 4.80 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 0.60 0.00 0.00 1.16 0.00 0.00 13 Q 8.76 5.04 0.00 1.46 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 14 K 9.17 4.68 0.00 1.68 1.61 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.56 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.92 0.21 7.81 15 R 8.35 4.11 0.00 1.25 1.46 0.00 2.65 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 16 G 8.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.79 4.27 0.00 1.79 1.74 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 2.08 2.21 0.00 18 Y 7.79 4.34 0.00 2.89 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 19 I 7.48 4.21 1.89 0.00 0.00 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 1.42 1.03 0.92 0.00 0.00 20 K 8.48 4.27 0.00 1.59 1.59 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.35 7.81 21 N 7.84 4.34 0.00 2.63 2.78 0.00 0.00 7.12 7.68 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 22 W 8.58 4.91 0.00 3.19 3.06 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 0.00 0.00 0.00 23 R 9.19 4.99 0.00 1.80 1.86 0.00 3.12 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 1.60 1.60 0.00 24 P 0.00 5.22 0.00 2.23 2.18 0.00 3.42 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 25 R 9.66 5.12 0.00 2.14 1.95 0.00 3.33 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 1.76 2.01 0.00 26 Y 8.85 4.37 0.00 1.54 2.40 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 27 F 8.63 4.97 0.00 2.72 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 28 L 8.98 5.34 0.00 1.74 1.69 1.11 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.38 5.33 0.00 2.07 1.89 0.81 0.62 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 30 K 8.87 5.27 0.00 1.92 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 31 T 8.65 3.91 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 32 D 8.07 4.57 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 33 G 8.45 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 0.00 0.00 0.00 34 S 8.49 4.61 0.00 3.91 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 35 F 9.03 5.45 0.00 2.72 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 0.00 0.00 0.00 36 I 8.94 4.59 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.52 0.00 0.00 37 G 7.90 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 0.00 0.00 0.00 38 Y 8.39 5.04 0.00 2.79 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 39 K 9.11 4.04 0.00 1.80 1.94 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.54 7.81 40 E 7.70 4.97 0.00 1.96 1.64 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 2.12 1.85 0.00 41 K 8.24 2.87 0.00 1.19 1.48 0.00 1.42 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.91 0.21 7.81 42 P 0.00 3.85 0.00 1.82 1.28 0.00 3.28 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.58 0.00 43 Q 7.70 3.94 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.12 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 44 D 7.79 4.72 0.00 2.71 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 45 V 7.42 4.52 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 0.64 0.00 0.00 0.93 0.00 0.00 46 D 8.91 4.49 0.00 2.70 2.58 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 0.00 0.00 0.00 0.00 47 L 7.40 4.86 0.00 1.60 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.53 0.00 2.18 1.90 0.00 3.68 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 2.00 1.86 0.00 *49 Y 8.34 4.66 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.89 0.00 1.80 1.45 0.00 3.57 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 1.88 1.78 0.00 51 L 8.19 4.40 0.00 1.41 1.69 0.96 1.22 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 52 N 7.45 5.10 0.00 2.56 2.91 0.00 0.00 6.57 6.92 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 53 N 8.72 5.10 0.00 2.57 2.67 0.00 0.00 6.82 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 54 F 8.67 5.12 0.00 3.15 3.07 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 55 S 8.79 5.06 0.00 3.92 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 56 V 8.61 4.18 2.03 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 0.59 0.00 0.00 0.93 0.00 0.00 57 A 7.81 4.12 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 58 K 8.87 3.90 0.00 1.92 1.92 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.41 7.81 59 C 7.85 4.66 0.00 3.17 3.06 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 0.00 0.00 0.00 60 Q 8.52 4.85 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 61 L 8.41 5.33 0.00 1.49 1.56 0.89 0.89 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 62 M 9.06 4.92 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 63 K 8.81 5.33 0.00 1.66 1.77 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 T 9.00 4.87 4.29 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 1.26 0.00 0.00 65 E 9.02 4.83 0.00 1.96 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 0.00 2.22 2.25 0.00 66 R 7.67 4.82 0.00 1.77 1.80 0.00 3.39 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 67 P 0.00 4.43 0.00 2.28 2.24 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 68 K 7.80 4.55 0.00 1.74 1.36 0.00 1.22 0.00 0.00 1.52 0.00 0.00 2.56 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 0.77 7.81 69 P 0.00 4.53 0.00 2.01 1.99 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 70 N 9.12 4.35 0.00 3.17 3.01 0.00 0.00 7.21 6.64 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 71 T 7.74 4.89 4.52 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 1.46 0.00 0.00 72 F 9.27 5.63 0.00 3.08 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 73 I 9.25 5.01 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.97 0.00 0.00 74 I 8.91 4.99 2.08 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 1.30 0.94 1.06 0.00 0.00 75 R 8.93 4.49 0.00 1.90 1.79 0.00 3.07 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 76 C 9.69 4.75 0.00 2.64 2.80 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 77 L 8.59 5.09 0.00 1.57 1.48 0.92 0.73 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 78 Q 8.79 3.94 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 5.59 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 79 W 8.50 3.79 0.00 3.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.37 4.52 4.29 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 1.28 0.00 0.00 81 T 8.37 4.25 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 1.25 0.00 0.00 82 V 8.38 4.43 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 0.76 0.00 0.00 0.93 0.00 0.00 83 I 8.98 4.56 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.73 0.00 0.00 84 E 8.74 4.91 0.00 1.76 1.81 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 2.20 2.27 0.00 85 R 8.81 4.49 0.00 1.67 1.53 0.00 2.21 0.00 0.00 2.61 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.20 0.00 86 T 7.87 4.94 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 1.17 0.00 0.00 87 F 9.14 5.41 0.00 1.51 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 0.00 0.00 0.00 0.00 88 H 9.10 5.42 0.00 3.32 3.07 0.00 5.40 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 89 V 8.19 5.04 2.28 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 1.03 0.00 0.00 1.26 0.00 0.00 90 D 8.99 4.65 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.50 4.81 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 1.24 0.00 0.00 92 P 0.00 4.49 0.00 2.30 2.44 0.00 3.89 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 2.08 1.93 0.00 93 E 8.13 3.93 0.00 2.08 2.03 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 2.39 2.42 0.00 94 E 8.27 3.94 0.00 2.16 2.19 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 2.49 2.60 0.00 95 R 8.01 3.95 0.00 2.12 2.13 0.00 3.38 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 96 E 8.33 4.02 0.00 2.22 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 97 E 8.01 3.80 0.00 1.96 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 0.00 2.21 2.48 0.00 98 W 7.69 4.10 0.00 2.97 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 99 T 7.89 3.84 4.15 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 0.00 0.00 0.92 0.00 0.00 100 E 8.38 3.89 0.00 2.00 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 2.28 2.34 0.00 101 A 7.85 3.88 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 0.00 102 I 7.93 3.48 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.48 0.78 0.00 0.00 103 Q 7.98 3.89 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 104 A 8.24 3.94 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 0.00 105 V 7.98 3.47 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 1.08 0.00 0.00 0.92 0.00 0.00 106 A 8.10 3.97 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 0.00 107 D 8.38 4.27 0.00 2.82 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 0.00 108 R 8.00 3.88 0.00 1.87 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 109 L 8.09 4.01 0.00 1.87 1.70 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.44 4.01 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 111 R 8.05 3.98 0.00 1.87 1.93 0.00 3.32 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 112 Q 8.01 4.50 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 113 E 8.37 3.95 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 114 E 8.05 4.01 0.00 2.15 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 0.00 2.35 2.49 0.00 115 E 8.54 4.19 0.00 2.17 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 0.00 2.33 2.49 0.00 116 R 8.01 4.24 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 117 M 8.40 4.47 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 118 N 7.58 4.80 0.00 2.79 2.71 0.00 0.00 6.79 7.44 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 * Residues marked with a * may have inaccurate shift predictions.