NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 K 4.3857 8.3149 122.1419 54.3535 33.3804 176.9189 25 D 4.1321 8.1502 122.5818 56.7716 40.9743 173.9207 26 Y 5.0690 7.4589 116.8845 56.2231 39.9552 174.9777 27 S 5.1055 9.0500 118.3316 56.8396 67.2955 172.7607 28 L 5.0969 8.6448 121.6035 53.8228 45.3840 175.3145 29 T 4.6512 8.7565 122.8608 62.4979 70.7762 172.7772 30 M 4.9102 8.4777 124.1562 54.1901 35.1296 174.3463 31 Q 4.2074 8.8621 122.6845 56.5884 29.4126 176.8902 32 S 4.6406 8.6430 114.2371 60.7626 64.4429 173.5265 33 S 5.3033 7.9364 113.6326 56.5696 65.6144 173.3692 34 V 4.6372 8.9574 124.0336 60.3913 35.0423 174.2143 35 T 5.1077 8.4268 118.1853 62.1522 71.8414 173.5323 36 V 4.5891 8.6492 118.1175 59.5794 36.7437 174.8117 37 Q 4.6592 8.4387 120.5732 54.7920 30.4521 175.3348 38 E 4.1805 8.8292 123.2406 58.4267 29.9448 177.4317 39 G 4.0119 9.1015 115.0350 44.2707 0.0000 173.4881 40 M 4.5216 7.8734 119.4952 55.1583 33.4767 174.9413 41 C 5.4276 8.2809 114.4277 56.8517 32.9453 173.5298 42 V 4.4202 8.5247 118.1394 60.9685 34.7395 172.2710 43 H 5.2448 8.6542 119.7202 54.1273 31.0584 173.7316 44 V 4.2146 8.7895 124.1665 60.8001 33.1902 175.1133 45 R 4.3519 8.4722 127.4461 56.2603 30.9678 176.9783 46 C 5.1902 8.4703 121.5574 55.7130 46.6767 172.5869 47 S 5.4089 8.8993 119.6491 56.6992 66.5755 172.5004 48 F 5.4816 8.5235 115.3104 55.4616 41.2511 173.5927 49 S 4.8291 9.6074 113.4518 57.0689 66.4701 172.4155 50 Y 4.8525 7.9004 117.6055 54.8510 40.9126 172.3658 51 P 4.2057 0.0000 0.0000 62.6928 32.0628 175.6803 52 V 4.3199 8.0871 123.7470 61.1971 32.9325 175.3718 *56 T 4.6276 8.3182 117.0356 62.4565 70.5487 176.4611 57 D 4.6450 8.1535 119.8800 55.9554 40.2319 181.7117 58 S 4.3023 8.1488 112.0703 61.4391 62.4927 174.3851 59 D 4.4540 7.5038 120.9704 53.9567 41.3988 174.7872 60 P 4.3965 0.0000 0.0000 62.6651 32.1813 175.0128 61 V 4.1693 8.5506 120.4921 62.2715 32.3634 174.7884 62 H 5.0315 9.2714 125.9335 54.1736 31.0126 174.2686 63 G 4.1873 9.0344 109.1432 44.6453 0.0000 171.5027 64 Y 4.7621 7.4919 118.5718 55.9193 42.8426 173.9594 65 W 5.0367 9.0154 124.0749 55.1801 31.4173 175.3460 66 F 5.0631 8.9348 122.7853 55.3432 42.4276 174.2684 67 R 4.0276 8.6487 121.5843 55.0361 30.7619 177.7514 68 A 4.6845 8.7921 131.1993 52.1052 16.9334 178.7476 *73 S 4.1880 8.3626 115.8424 59.3776 65.1170 175.3486 74 W 4.9343 6.8274 121.7726 56.4689 27.9865 176.8937 75 K 4.2459 8.5697 121.0540 57.9816 32.3340 176.6079 76 A 4.6415 7.9703 121.1961 50.7386 19.5587 175.1167 77 P 3.9230 0.0000 0.0000 62.7605 32.1907 177.6782 78 V 3.7838 8.7996 114.6980 63.9971 32.2076 176.3602 79 A 4.7488 7.6448 119.9275 51.3677 22.5126 174.9850 80 T 4.7592 8.3822 112.0673 62.1228 70.0958 172.9583 81 N 4.5215 8.5190 122.7018 52.7784 38.1080 174.3592 82 N 4.5441 7.8397 119.9683 51.5215 38.5870 173.5242 83 P 4.4957 0.0000 0.0000 64.2486 31.6480 177.0873 84 A 4.3112 8.0706 121.1779 53.1984 18.9348 177.0414 85 W 4.7501 8.0915 115.9462 54.3944 31.2244 176.0331 86 A 4.3087 8.5671 125.4500 52.2229 18.6320 177.0394 87 V 4.6547 7.9119 112.9627 59.1143 34.0006 176.1411 88 Q 4.2076 8.6618 120.9302 56.4733 28.9560 178.4424 89 E 3.8908 8.8790 121.2395 59.4336 29.8996 179.2651 90 E 4.0310 8.3591 117.5642 58.6551 29.8212 177.5058 91 T 4.3277 7.2674 106.5216 60.6777 69.4467 174.0871 92 R 3.9841 7.3705 122.9793 58.2294 30.3362 176.0523 93 D 4.6403 8.9419 122.3898 54.9906 38.8996 174.1797 94 R 4.6072 8.2374 118.5413 56.2957 33.4688 175.5490 95 F 5.1246 8.2461 116.3942 56.1524 40.9712 175.4398 96 H 4.8768 8.8958 119.3125 54.0952 33.4292 172.7385 97 L 4.4757 8.7350 125.1707 54.8048 41.0577 175.7996 98 L 4.1502 8.5603 129.1017 57.6325 42.7427 177.5791 99 G 3.8094 8.2317 104.7871 46.1185 0.0000 173.1458 100 D 4.8628 8.5206 121.3147 51.8705 41.5923 175.5975 101 P 4.7211 0.0000 0.0000 65.4724 31.7252 178.6191 102 Q 4.0771 8.2680 119.0149 58.5275 27.6002 176.8680 103 T 4.4616 8.1182 107.9986 61.1328 69.2347 174.9745 104 K 2.8593 8.0985 118.6652 57.7729 30.0171 174.3134 105 N 5.1917 7.5974 117.1247 52.1999 40.0322 171.6624 106 C 4.8777 8.6601 119.4136 55.2295 42.1982 173.9985 107 T 4.1192 8.1588 116.6566 65.0064 69.1849 172.3908 108 L 4.6362 8.5616 128.0977 53.2888 44.3783 174.7308 109 S 5.0759 8.7510 120.9072 56.5134 65.0429 172.6105 110 I 4.6161 8.6156 127.3832 59.2598 40.3799 174.6821 111 R 4.7081 8.6525 122.2467 53.5660 32.9434 174.3344 112 D 4.3551 8.4570 116.2286 54.6679 39.7428 173.3966 113 A 4.3037 7.9574 122.7605 52.9034 19.5601 177.4165 114 R 4.9785 9.1186 120.5005 54.1262 33.9000 176.8301 115 M 4.0364 8.7930 119.8951 58.7870 32.0122 179.1142 116 S 4.3385 8.0145 111.0056 60.5133 63.2524 174.9241 117 D 4.4721 8.1790 120.7505 56.3846 40.9091 176.8548 118 A 4.2662 7.7930 122.2885 51.6109 19.0163 178.0646 119 G 3.8716 7.3085 108.4929 44.8938 0.0000 171.3852 120 R 5.3417 7.6497 117.6619 54.7618 33.4328 175.1279 121 Y 5.5160 9.0372 118.7874 56.4671 42.6076 174.3311 122 F 5.6387 9.5557 117.3620 55.3137 42.0069 173.2277 123 F 4.5031 8.7175 122.0100 56.5328 41.6325 174.1448 124 R 5.1675 8.1192 125.1052 54.5722 33.1382 174.0639 125 M 5.0750 8.7372 122.5870 53.6744 34.9157 174.4650 126 E 5.1149 9.0223 118.7652 54.9959 34.6325 174.5439 127 K 4.6923 8.7547 125.3307 53.3256 34.6884 178.0310 128 G 3.8654 8.8716 120.0121 46.9750 0.0000 173.8743 129 N 4.6171 9.1228 122.3163 53.4435 39.2810 174.6995 130 I 4.2128 7.7883 121.3009 60.7655 37.3767 174.9168 131 K 5.1967 8.3631 124.0843 54.6314 36.2926 175.9243 132 W 4.3720 8.7245 131.7193 56.4915 34.6957 172.6371 133 N 4.9786 7.8684 124.9425 52.2305 39.5838 175.8005 134 Y 4.6564 9.2075 124.0837 57.0835 36.5339 176.1305 135 K 4.0811 8.0414 120.1015 57.3477 32.9830 177.3156 136 Y 4.5403 8.1426 114.9096 58.0031 39.0939 175.2611 137 D 5.1511 7.7779 117.5020 52.9827 41.1363 175.0889 138 Q 4.9229 7.8952 118.3736 55.1551 31.4361 176.4783 139 L 4.9151 9.2528 123.6933 53.7188 44.3854 175.2569 140 S 5.0671 9.4595 123.5654 57.6620 64.5473 173.2301 141 V 4.6229 9.0943 126.2223 61.5576 33.2493 174.1621 142 N 5.4001 9.1462 125.4438 51.4104 41.5583 173.6942 143 V 5.0157 8.4522 122.5272 61.1943 34.6720 175.1852 144 T 4.3109 8.8533 117.3067 61.8808 68.9213 173.6996 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 24 K 8.31 4.39 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 25 D 8.15 4.13 0.00 2.51 2.43 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 0.00 26 Y 7.46 5.07 0.00 1.66 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.05 5.11 0.00 3.91 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 28 L 8.64 5.10 0.00 1.12 1.62 0.57 0.99 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 29 T 8.76 4.65 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 1.23 0.00 0.00 30 M 8.48 4.91 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 31 Q 8.86 4.21 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 32 S 8.64 4.64 0.00 4.00 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 33 S 7.94 5.30 0.00 3.87 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 34 V 8.96 4.64 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 0.69 0.00 0.00 0.85 0.00 0.00 35 T 8.43 5.11 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 1.21 0.00 0.00 36 V 8.65 4.59 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 0.66 0.00 0.00 0.93 0.00 0.00 37 Q 8.44 4.66 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 38 E 8.83 4.18 0.00 2.00 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 2.34 2.40 0.00 39 G 9.10 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 40 M 7.87 4.52 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 41 C 8.28 5.43 0.00 2.96 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 42 V 8.52 4.42 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 0.60 0.00 0.00 0.83 0.00 0.00 43 H 8.65 5.24 0.00 2.94 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.79 4.21 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 0.89 0.00 0.00 0.75 0.00 0.00 45 R 8.47 4.35 0.00 1.73 1.84 0.00 3.49 0.00 0.00 3.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 46 C 8.47 5.19 0.00 3.07 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 47 S 8.90 5.41 0.00 3.86 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 48 F 8.52 5.48 0.00 2.80 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 49 S 9.61 4.83 0.00 3.66 3.85 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 50 Y 7.90 4.85 0.00 2.79 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 51 P 0.00 4.21 0.00 1.99 1.88 0.00 2.69 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 52 V 8.09 4.32 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 0.91 0.00 0.00 0.43 0.00 0.00 *56 T 8.32 4.63 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 1.27 0.00 0.00 57 D 8.15 4.64 0.00 2.72 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 58 S 8.15 4.30 0.00 3.85 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 59 D 7.50 4.45 0.00 2.97 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 60 P 0.00 4.40 0.00 2.09 2.16 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 61 V 8.55 4.17 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 0.98 0.00 0.00 1.04 0.00 0.00 62 H 9.27 5.03 0.00 3.03 2.55 0.00 5.62 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 63 G 9.03 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 0.00 0.00 0.00 0.00 64 Y 7.49 4.76 0.00 2.48 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 0.00 0.00 0.00 65 W 9.02 5.04 0.00 3.33 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 66 F 8.93 5.06 0.00 1.51 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 67 R 8.65 4.03 0.00 1.37 1.57 0.00 2.21 0.00 0.00 2.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 68 A 8.79 4.68 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 *73 S 8.36 4.19 0.00 3.84 3.60 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 74 W 6.83 4.93 0.00 3.37 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 75 K 8.57 4.25 0.00 1.69 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 76 A 7.97 4.64 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 77 P 0.00 3.92 0.00 1.97 1.08 0.00 4.20 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 78 V 8.80 3.78 1.69 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 0.58 0.00 0.00 1.13 0.00 0.00 79 A 7.64 4.75 1.39 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 80 T 8.38 4.76 4.04 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 1.28 0.00 0.00 81 N 8.52 4.52 0.00 2.85 2.88 0.00 0.00 5.94 8.04 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 82 N 7.84 4.54 0.00 2.19 2.38 0.00 0.00 6.93 8.21 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 83 P 0.00 4.50 0.00 2.26 2.19 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 84 A 8.07 4.31 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 85 W 8.09 4.75 0.00 3.45 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 86 A 8.57 4.31 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 87 V 7.91 4.65 2.31 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 0.83 0.00 0.00 0.96 0.00 0.00 88 Q 8.66 4.21 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 89 E 8.88 3.89 0.00 2.04 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 0.00 2.43 2.30 0.00 90 E 8.36 4.03 0.00 1.98 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 2.48 2.45 0.00 91 T 7.27 4.33 3.48 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 0.44 0.00 0.00 92 R 7.37 3.98 0.00 2.04 1.91 0.00 3.41 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 93 D 8.94 4.64 0.00 2.91 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 94 R 8.24 4.61 0.00 2.01 2.17 0.00 3.45 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 95 F 8.25 5.12 0.00 2.63 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 96 H 8.90 4.88 0.00 3.05 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.73 4.48 0.00 1.87 1.71 1.29 1.10 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 98 L 8.56 4.15 0.00 1.57 1.70 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.23 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 0.00 100 D 8.52 4.86 0.00 2.78 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 0.00 101 P 0.00 4.72 0.00 2.55 2.46 0.00 3.74 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 102 Q 8.27 4.08 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 103 T 8.12 4.46 4.20 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 1.20 0.00 0.00 104 K 8.10 2.86 0.00 1.71 1.59 0.00 1.35 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.95 1.14 7.81 105 N 7.60 5.19 0.00 2.69 2.94 0.00 0.00 6.86 7.53 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 0.00 106 C 8.66 4.88 0.00 1.93 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 0.00 107 T 8.16 4.12 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 1.15 0.00 0.00 108 L 8.56 4.64 0.00 0.81 0.89 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.75 5.08 0.00 3.72 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 0.00 110 I 8.62 4.62 1.42 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.48 0.00 0.00 111 R 8.65 4.71 0.00 1.70 1.82 0.00 3.22 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 112 D 8.46 4.36 0.00 2.85 2.64 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 0.00 113 A 7.96 4.30 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 0.00 114 R 9.12 4.98 0.00 1.86 1.82 0.00 3.17 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 115 M 8.79 4.04 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 116 S 8.01 4.34 0.00 4.02 4.04 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 0.00 117 D 8.18 4.47 0.00 2.90 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 0.00 118 A 7.79 4.27 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 0.00 119 G 7.31 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 0.00 0.00 0.00 120 R 7.65 5.34 0.00 1.83 1.89 0.00 3.19 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 121 Y 9.04 5.52 0.00 3.10 3.15 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 0.00 122 F 9.56 5.64 0.00 3.37 3.24 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 0.00 123 F 8.72 4.50 0.00 1.51 2.41 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 0.00 124 R 8.12 5.17 0.00 2.08 1.74 0.00 3.09 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 125 M 8.74 5.07 0.00 1.95 2.14 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 2.70 2.96 0.00 126 E 9.02 5.11 0.00 2.04 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 2.27 2.35 0.00 127 K 8.75 4.69 0.00 1.58 1.56 0.00 1.98 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.35 1.35 7.81 128 G 8.87 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 0.00 0.00 0.00 129 N 9.12 4.62 0.00 2.78 2.92 0.00 0.00 6.82 7.45 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 0.00 130 I 7.79 4.21 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 1.16 0.00 0.00 131 K 8.36 5.20 0.00 1.57 1.64 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.63 7.81 132 W 8.72 4.37 0.00 3.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.87 4.98 0.00 2.17 2.39 0.00 0.00 7.09 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 0.00 134 Y 9.21 4.66 0.00 3.43 3.21 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 0.00 135 K 8.04 4.08 0.00 1.38 1.35 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.85 7.81 136 Y 8.14 4.54 0.00 3.07 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 0.00 137 D 7.78 5.15 0.00 2.96 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 0.00 138 Q 7.90 4.92 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 139 L 9.25 4.92 0.00 1.88 1.71 1.00 0.66 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 0.00 140 S 9.46 5.07 0.00 3.83 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 0.00 141 V 9.09 4.62 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.80 0.00 0.00 142 N 9.15 5.40 0.00 2.65 2.68 0.00 0.00 5.98 8.52 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 0.00 143 V 8.45 5.02 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 0.86 0.00 0.00 0.99 0.00 0.00 144 T 8.85 4.31 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 * Residues marked with a * may have inaccurate shift predictions.