NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1421 8.1127 120.8607 56.7295 30.0454 176.1066 3 V 3.2300 8.2963 123.1544 61.7372 31.4237 172.6133 4 K 4.0710 8.0621 118.8495 59.1354 33.4871 176.4972 5 M 4.3236 7.2241 117.8127 54.3947 32.6729 174.0113 6 H 4.4925 8.6401 112.7276 55.9995 30.3078 174.6981 7 V 3.3143 7.4649 110.7095 63.7738 31.9686 177.5446 8 K 4.9570 7.0492 120.8095 55.2877 36.2609 175.8797 9 K 4.1338 7.9235 122.9273 57.1895 35.8659 177.9893 10 G 3.9820 8.8258 106.3370 46.1055 0.0000 172.6833 11 D 5.0480 7.1680 129.1190 52.7266 37.6915 179.2824 12 T 4.6528 8.3855 117.6457 62.5070 72.2317 172.0997 13 V 4.9033 8.8722 120.1019 59.2509 35.7854 175.2875 14 L 4.7730 8.8705 125.1665 54.7132 44.0856 175.4442 15 V 4.9311 7.9402 121.0291 60.8968 34.7809 175.4510 16 A 4.9533 8.6434 124.8605 50.9899 20.1183 178.6047 17 S 4.6411 8.7603 119.4495 59.7110 62.9172 175.4366 18 G 4.0259 8.9475 106.6767 45.9909 0.0000 174.2671 19 K 3.8749 9.0409 119.8971 59.0310 33.1033 177.6265 20 Y 4.2768 7.9625 114.4820 57.2776 38.0146 174.5678 21 K 3.8074 7.6923 121.8947 57.9962 32.1008 176.3133 22 G 3.8155 8.3848 116.3810 46.9498 0.0000 172.7885 23 R 4.6584 7.6183 118.2349 53.9327 32.3769 177.0548 24 V 4.1993 8.5568 123.9288 63.2537 32.5584 175.1156 25 G 4.0512 8.5076 110.3840 45.7290 0.0000 174.5499 26 K 4.3379 8.5822 122.6408 55.5916 34.2208 176.2486 27 V 3.5785 7.9276 116.6920 62.7037 32.3610 177.3312 28 K 4.5632 8.3631 121.1124 55.6960 33.8281 175.5238 29 E 3.5307 7.5572 117.9530 63.5628 26.8752 176.0038 30 V 2.9936 6.8156 114.2434 61.2789 30.7722 173.7054 31 L 3.9209 7.8136 128.9326 55.4167 41.9787 175.4106 32 P 4.8095 0.0000 0.0000 62.6797 32.1909 176.8377 33 K 4.2672 8.0734 116.5086 58.2788 31.7650 177.2184 34 K 4.4834 7.4372 116.0074 54.7588 34.5545 174.9434 35 Y 3.1874 8.0804 119.3620 58.8423 37.5875 168.3607 36 A 5.3652 7.5476 119.8645 50.6125 24.3586 179.3769 37 V 4.1535 10.1726 113.5947 60.8989 31.6180 178.4939 38 I 4.7223 9.4204 135.0000 61.7734 37.8079 177.6595 39 V 3.8229 7.6547 120.1891 63.0068 30.9746 174.2283 40 E 4.7312 9.1321 108.9468 57.0911 32.8209 175.3496 41 G 3.6282 7.4459 116.0184 45.7985 0.0000 178.0135 42 V 2.8923 6.0406 129.1428 62.1918 29.7406 175.1087 43 N 4.4995 7.9124 124.1208 53.7093 40.6359 174.9309 44 I 3.4716 6.4617 117.9571 58.2785 38.7115 174.3870 45 V 4.5223 8.1728 122.5385 60.8380 34.0300 173.2518 46 K 4.4140 7.3791 119.0941 55.7781 35.2258 175.5446 47 K 3.6073 7.9489 116.6554 55.9987 34.3038 174.7245 48 A 3.7665 6.4321 123.7763 52.3766 16.9912 178.3391 49 V 4.1379 7.7831 120.5130 62.0407 34.2111 177.5655 50 R 3.7931 7.8093 117.0554 56.4208 27.6702 176.1111 51 V 3.8029 8.3449 118.1131 65.8897 32.2226 177.4524 52 S 4.4877 7.4285 113.3487 56.8952 65.1855 173.9090 53 P 4.5803 0.0000 0.0000 62.3314 30.5467 176.0473 54 K 3.4659 8.0545 119.6820 57.7466 32.4867 176.4535 55 Y 3.5701 9.3337 115.4328 58.9099 37.2103 171.3004 56 P 4.3244 0.0000 0.0000 61.1099 35.2809 179.2373 57 Q 4.7824 8.3995 132.2557 55.9260 28.3973 176.0666 58 G 4.1664 8.6499 115.9665 45.9736 0.0000 172.9975 59 G 4.0321 5.3800 104.8100 45.4628 0.0000 173.9833 60 F 5.4528 8.5401 116.8925 54.3725 38.7606 175.7712 61 I 4.6610 7.9215 116.3883 62.6620 42.7812 176.7693 62 E 3.9527 6.7072 113.7241 54.4935 32.1096 178.2714 63 K 4.8962 8.2409 128.1255 56.4794 35.9222 174.4453 64 E 4.6358 8.4783 118.1060 55.3041 30.6835 175.7488 65 A 4.3801 8.7101 125.0899 51.6666 19.9497 178.7204 66 P 3.3791 0.0000 0.0000 63.1777 33.0390 171.4678 67 L 3.6790 7.8323 127.4208 54.2301 43.4630 173.5130 68 H 4.7223 8.8187 125.5498 56.2784 30.0022 175.4495 69 A 4.0139 9.0671 130.8612 55.3583 18.2181 179.2536 70 S 4.1881 8.2712 108.7445 60.6292 62.8941 174.9251 71 K 4.2388 8.7180 119.3652 57.8649 32.2873 177.0273 72 V 4.7700 6.9502 111.8094 60.6130 33.5682 175.8842 73 R 4.7468 8.5603 120.2539 54.4383 34.6896 173.9450 74 P 4.9703 0.0000 0.0000 62.8184 33.0375 174.5793 75 I 4.4819 7.3120 117.7059 60.9362 41.1337 172.9044 76 C 4.4617 9.0219 123.2370 59.6246 34.1662 173.8350 77 P 3.9104 0.0000 0.0000 61.4815 27.3145 175.6330 78 A 4.3559 6.5643 123.9689 52.0300 22.7382 175.1096 79 C 4.7634 8.0402 115.6285 58.5914 36.2563 178.3709 80 G 3.5697 8.9302 109.8954 45.0850 0.0000 173.8835 81 K 3.8398 8.9019 135.0000 54.7644 30.3879 173.6701 82 P 4.3898 0.0000 0.0000 63.0545 31.9081 176.5679 83 T 4.3328 8.2324 117.3992 63.5250 69.9485 175.2544 84 R 4.8751 8.1051 124.6887 56.2539 34.0012 175.0160 85 V 4.2158 7.8520 119.0774 63.4035 34.2869 172.5397 86 R 4.7972 8.4284 127.1315 54.8902 34.2232 175.5689 87 K 4.1020 8.7584 118.3515 58.1061 33.6112 178.8180 88 K 4.0852 8.3821 115.4015 55.5671 29.8485 176.4816 89 F 3.9427 8.6405 115.9134 57.0160 35.7099 174.8858 90 L 5.0414 7.1099 131.2506 56.0859 41.3481 173.5038 91 E 4.7190 7.7685 119.9752 55.5944 31.1088 175.3094 92 N 4.8228 7.9417 122.0603 54.9204 41.3644 175.0812 93 G 4.3366 8.5013 113.0087 44.0796 0.0000 171.4060 94 K 4.7764 8.5855 120.9226 55.7272 33.1587 176.1372 95 K 4.8274 8.2007 120.6741 54.3532 36.9870 175.5293 96 I 4.4269 8.3156 122.3024 60.8338 38.2939 176.3469 97 R 3.7945 8.6425 120.4505 57.0849 29.4400 177.5416 98 V 2.9519 8.3988 115.8680 67.0500 28.8037 170.7585 99 C 4.5714 8.9318 133.4950 58.6464 32.2948 173.0314 100 A 4.0953 7.3337 121.9911 51.6294 18.6931 175.8491 101 K 4.1525 8.6604 121.3644 55.6712 33.7433 175.5378 *102 C 4.3630 8.2695 122.8913 58.1087 28.5244 171.1738 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 2 R 8.11 4.14 0.00 1.83 1.93 0.00 3.46 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.30 3.23 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 0.90 0.00 0.00 0.94 0.00 0.00 4 K 8.06 4.07 0.00 1.88 1.93 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.36 7.81 5 M 7.22 4.32 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 6 H 8.64 4.49 0.00 3.20 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.46 3.31 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 0.73 0.00 0.00 0.89 0.00 0.00 8 K 7.05 4.96 0.00 1.57 2.06 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.36 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.38 7.81 9 K 7.92 4.13 0.00 1.81 1.48 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 10 G 8.83 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 11 D 7.17 5.05 0.00 2.72 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 0.00 0.00 0.00 0.00 12 T 8.39 4.65 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 13 V 8.87 4.90 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 0.76 0.00 0.00 0.97 0.00 0.00 14 L 8.87 4.77 0.00 1.74 1.53 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.94 4.93 2.44 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 1.03 0.00 0.00 1.01 0.00 0.00 16 A 8.64 4.95 1.23 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 17 S 8.76 4.64 0.00 4.05 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 18 G 8.95 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 0.00 0.00 0.00 19 K 9.04 3.87 0.00 2.04 1.70 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.53 7.81 20 Y 7.96 4.28 0.00 3.13 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 21 K 7.69 3.81 0.00 1.84 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 G 8.38 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 23 R 7.62 4.66 0.00 1.83 1.91 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 24 V 8.56 4.20 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 0.80 0.00 0.00 0.94 0.00 0.00 25 G 8.51 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 26 K 8.58 4.34 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 V 7.93 3.58 2.30 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 0.96 0.00 0.00 1.01 0.00 0.00 28 K 8.36 4.56 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.34 7.81 29 E 7.56 3.53 0.00 2.07 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 2.20 2.31 0.00 30 V 6.82 2.99 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 0.79 0.00 0.00 0.90 0.00 0.00 31 L 7.81 3.92 0.00 1.90 1.54 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.81 0.00 1.98 2.06 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 33 K 8.07 4.27 0.00 1.77 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 K 7.44 4.48 0.00 1.71 1.82 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 Y 8.08 3.19 0.00 3.21 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 36 A 7.55 5.37 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 37 V 10.17 4.15 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 0.63 0.00 0.00 1.01 0.00 0.00 38 I 9.42 4.72 2.19 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 1.26 0.59 0.90 0.00 0.00 39 V 7.65 3.82 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 1.16 0.00 0.00 0.90 0.00 0.00 40 E 9.13 4.73 0.00 1.97 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 2.22 2.24 0.00 41 G 7.45 3.63 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 0.00 0.00 0.00 42 V 6.04 2.89 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 0.94 0.00 0.00 0.76 0.00 0.00 43 N 7.91 4.50 0.00 2.76 2.85 0.00 0.00 7.21 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 44 I 6.46 3.47 1.89 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 1.34 0.48 0.95 0.00 0.00 45 V 8.17 4.52 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 0.99 0.00 0.00 0.99 0.00 0.00 46 K 7.38 4.41 0.00 1.82 1.66 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.24 7.81 47 K 7.95 3.61 0.00 1.79 1.91 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.24 7.81 48 A 6.43 3.77 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 49 V 7.78 4.14 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 0.85 0.00 0.00 0.98 0.00 0.00 50 R 7.81 3.79 0.00 1.93 1.87 0.00 3.21 0.00 0.00 3.12 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 51 V 8.34 3.80 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 0.79 0.00 0.00 0.91 0.00 0.00 52 S 7.43 4.49 0.00 3.93 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 53 P 0.00 4.58 0.00 2.01 2.06 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 54 K 8.05 3.47 0.00 1.50 1.29 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.43 7.81 55 Y 9.33 3.57 0.00 3.18 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 56 P 0.00 4.32 0.00 2.16 1.47 0.00 3.79 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 2.05 2.18 0.00 57 Q 8.40 4.78 0.00 2.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 58 G 8.65 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 0.00 0.00 0.00 0.00 59 G 5.38 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 0.00 0.00 0.00 60 F 8.54 5.45 0.00 3.00 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 61 I 7.92 4.66 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.35 0.94 0.00 0.00 62 E 6.71 3.95 0.00 2.08 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 2.22 2.34 0.00 63 K 8.24 4.90 0.00 1.66 1.67 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 64 E 8.48 4.64 0.00 1.88 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 2.21 2.40 0.00 65 A 8.71 4.38 1.18 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 0.00 0.00 66 P 0.00 3.38 0.00 2.11 2.28 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 67 L 7.83 3.68 0.00 2.05 1.66 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.82 4.72 0.00 3.25 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.07 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.27 4.19 0.00 4.05 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 0.00 71 K 8.72 4.24 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 72 V 6.95 4.77 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 0.95 0.00 0.00 73 R 8.56 4.75 0.00 1.74 1.77 0.00 3.14 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 4.97 0.00 2.06 2.05 0.00 3.80 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 1.98 1.95 0.00 75 I 7.31 4.48 1.87 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 1.15 0.48 0.97 0.00 0.00 76 C 9.02 4.46 0.00 2.90 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 77 P 0.00 3.91 0.00 2.15 2.30 0.00 3.81 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 1.98 2.09 0.00 78 A 6.56 4.36 1.35 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 0.00 0.00 79 C 8.04 4.76 0.00 2.88 2.77 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 80 G 8.93 3.57 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 0.00 0.00 0.00 81 K 8.90 3.84 0.00 2.14 1.97 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.50 7.81 82 P 0.00 4.39 0.00 2.09 2.00 0.00 3.73 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 2.04 2.13 0.00 83 T 8.23 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 1.21 0.00 0.00 84 R 8.11 4.88 0.00 1.83 1.72 0.00 3.16 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 85 V 7.85 4.22 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 0.66 0.00 0.00 0.94 0.00 0.00 86 R 8.43 4.80 0.00 1.88 1.74 0.00 3.14 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 87 K 8.76 4.10 0.00 2.02 2.07 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 88 K 8.38 4.09 0.00 1.99 2.12 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.53 7.81 89 F 8.64 3.94 0.00 3.09 3.28 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 90 L 7.11 5.04 0.00 1.77 1.80 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.77 4.72 0.00 1.99 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 2.24 2.36 0.00 92 N 7.94 4.82 0.00 2.68 2.68 0.00 0.00 7.05 7.98 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 93 G 8.50 4.34 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 0.00 94 K 8.59 4.78 0.00 1.66 1.76 0.00 1.74 0.00 0.00 2.36 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.31 7.81 95 K 8.20 4.83 0.00 1.66 1.66 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 96 I 8.32 4.43 1.91 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 1.40 1.07 0.96 0.00 0.00 97 R 8.64 3.79 0.00 1.90 1.96 0.00 3.16 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 98 V 8.40 2.95 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 8.93 4.57 0.00 3.07 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 0.00 100 A 7.33 4.10 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 0.00 101 K 8.66 4.15 0.00 1.82 1.89 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.16 7.81 *102 C 8.27 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.