NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2762 8.3344 116.7856 58.5135 65.1472 173.6986 -7 D 5.3428 7.5915 121.8758 51.6465 41.2924 174.0475 -6 P 4.0742 0.0000 0.0000 65.9441 32.2150 178.0819 -5 S 4.8896 7.8158 109.3758 59.4507 62.8880 174.3608 -4 S 4.7901 8.0570 117.6827 58.5199 64.0664 175.9569 -3 I 4.6124 7.9092 121.1965 61.8673 39.0390 177.7419 -2 N 5.0911 7.6027 115.8238 52.2595 40.0156 176.0596 -1 G 4.0619 7.7897 105.4362 44.5802 0.0000 171.9931 -7 G 4.6628 7.5815 110.2758 42.5465 0.0000 172.6475 -6 I 3.8242 9.4429 127.9769 63.7441 38.9150 177.1819 -5 V 4.5396 7.5358 112.8758 63.3507 31.9880 176.0608 -4 V 4.4401 7.7770 121.1827 62.4199 33.1664 177.6569 -3 A 4.7624 8.1492 125.0965 53.2673 19.3390 179.1419 -2 M 4.8311 7.4827 116.7238 54.5595 34.0156 177.1596 -1 T 4.4519 7.6097 110.2362 61.2802 67.5238 171.7931 8 G 4.0600 8.8793 114.2464 44.4657 0.0000 172.0486 9 K 4.0580 8.7580 124.5328 56.6918 32.1245 177.2338 10 D 4.4519 8.7179 128.1016 54.5597 38.8546 173.1544 11 C 4.7252 7.3646 109.1803 57.5588 32.1411 172.6797 12 V 4.9447 8.0298 112.6412 59.7142 35.1943 174.6646 13 A 4.7572 8.3875 124.1575 50.2401 22.1225 175.3452 14 I 5.3637 8.0251 119.2600 59.6583 41.0290 173.9706 15 A 4.9661 8.5595 129.5539 50.6598 22.4678 174.2148 16 C 5.4210 8.3625 112.9816 57.1485 33.1679 173.0481 17 D 4.7542 8.4926 119.7131 52.4085 41.3722 175.9969 18 L 5.1463 8.1827 114.9133 53.6122 43.6115 176.6286 19 R 4.5354 8.2640 119.3697 56.2212 31.3705 176.0063 20 L 4.2836 8.5902 126.6287 54.0941 45.0728 174.6531 21 G 4.5031 8.2885 112.5538 44.6394 0.0000 171.5748 22 S 4.6615 8.8063 114.7839 55.6208 62.6056 175.5589 23 Q 3.7319 8.7590 129.0932 56.5583 26.2528 176.7894 24 S 4.1991 8.7485 120.0633 61.6411 63.4650 174.4397 25 L 4.0545 7.8494 124.2191 54.4211 42.2756 175.6482 26 G 4.1064 8.5865 115.6659 45.1172 0.0000 172.7005 27 V 4.1599 8.4583 122.9514 63.6392 33.4902 175.6862 28 S 4.7701 8.3912 113.1692 56.5440 65.3139 173.2931 29 N 5.4560 8.7775 122.4430 52.7147 37.4459 174.7206 30 K 4.6070 7.9824 114.2627 56.9374 34.8778 176.7295 31 F 4.4217 8.3849 124.9422 57.4371 39.1814 174.5738 32 E 4.2022 8.1743 125.0148 55.5500 30.5853 176.7017 33 K 4.4252 8.3866 119.6168 56.0570 34.2717 175.1140 34 I 4.8284 7.1123 120.7604 59.6221 39.5192 174.7103 35 F 4.9335 9.1046 123.8077 56.3922 44.2021 172.8880 36 H 4.9603 7.3741 113.0377 54.3600 31.7878 172.7399 *38 Y 4.6791 7.9526 116.3467 58.7845 38.6660 175.4581 39 G 4.0863 8.2450 117.4473 46.9771 0.0000 172.5926 40 H 4.6601 8.9212 120.8169 55.4157 29.1412 174.7768 41 V 4.3351 7.2727 121.1556 61.7097 33.2127 174.5594 42 F 5.1227 9.4733 126.5798 55.7280 42.1327 174.5154 43 L 5.2955 9.4429 123.7863 53.6230 45.3392 175.1106 44 G 4.4836 9.6265 114.3636 44.8678 0.0000 172.5124 45 I 5.1958 9.0569 125.0240 59.8451 40.1028 175.0161 46 T 4.5392 9.1613 116.8769 60.5930 71.3733 173.8357 47 G 3.7169 8.7471 107.6837 44.2650 0.0000 173.0853 48 L 3.9773 8.7955 125.1081 55.0627 42.5224 178.2749 49 A 4.1172 9.4598 129.0827 56.0199 18.0839 178.8031 50 T 3.9150 8.0614 110.6262 65.6893 67.2415 175.6844 51 D 4.3884 8.3967 120.6920 56.9805 40.7907 178.8589 52 V 3.6764 7.7946 118.5145 66.2628 31.6396 178.0661 53 T 3.8170 8.5376 115.7692 66.9482 68.3901 176.4630 54 T 3.7739 7.9542 117.6835 67.0407 68.4794 176.5265 55 L 3.3428 7.8724 120.6569 57.2722 41.5050 179.1803 56 N 4.2534 7.5226 118.0787 56.2875 38.9875 176.7775 57 E 3.9768 8.0230 119.8373 59.4560 29.3488 179.2674 58 M 3.7171 7.7090 118.1813 58.7158 32.2847 178.4704 59 F 4.3281 7.7833 117.8974 60.1900 38.8085 177.4432 60 R 4.0006 8.1625 119.0850 59.2492 29.9436 177.3918 61 Y 4.1065 8.0420 118.7375 61.0387 38.7230 178.7749 62 K 4.1866 8.6962 119.2889 59.9469 32.3537 179.5368 63 T 3.9012 8.2510 110.1418 65.0174 68.4150 175.7876 64 N 4.3485 8.5778 119.6419 56.3203 38.6903 177.2089 65 L 4.0033 8.0589 120.2014 57.9416 41.7273 179.2152 66 Y 3.9740 8.3412 119.9321 60.6124 38.7743 178.0770 67 K 4.7361 8.3416 121.9163 59.0976 32.0838 178.8027 68 L 4.0126 7.8528 118.5365 57.1752 41.5300 178.9871 69 K 4.1976 7.6052 117.0553 58.7537 32.7658 178.6950 70 E 3.8678 8.2151 117.1680 56.4985 30.0077 176.4916 71 E 3.8344 7.8480 117.7860 56.4958 27.8278 173.7605 72 R 4.3498 7.1212 111.5378 55.7351 31.8117 173.3876 73 A 4.6747 8.5219 121.7807 51.0724 19.6875 177.5240 74 I 3.7080 8.1397 121.3005 61.0434 38.3303 175.9129 75 E 4.6074 8.2595 124.9191 54.1238 32.5896 175.6647 76 P 4.3265 0.0000 0.0000 66.0602 31.2957 178.7311 77 E 3.9681 8.2188 116.5925 59.8505 29.3997 179.5877 78 T 3.8561 7.8220 114.9931 66.6800 68.6137 176.2901 79 F 4.0210 8.4825 122.9114 61.5361 39.1492 177.1950 80 T 3.6197 8.0683 115.3300 66.8354 68.3272 176.3891 81 Q 3.9078 7.6852 119.7880 58.9364 28.6888 178.9811 82 L 3.8690 7.7637 121.3008 57.9170 42.0727 179.1961 83 V 3.2925 7.4117 118.5610 65.8096 31.3381 177.7035 84 S 4.0769 8.1059 113.4138 61.6898 62.1052 176.4957 85 S 4.1977 8.0356 116.5182 61.3292 62.5387 176.5308 86 S 4.1800 7.8492 118.4294 61.3169 62.7518 176.3562 87 L 4.2485 8.2047 121.7683 58.0696 41.6069 178.8389 88 Y 3.8591 8.2671 118.8933 59.8351 38.4076 177.3924 89 E 4.0534 7.9283 119.5725 58.3439 30.0597 176.9896 90 R 4.4319 7.8616 118.5966 55.0998 30.8802 178.0342 91 R 3.2956 7.0203 120.8281 58.9118 29.7904 176.8677 92 F 4.9144 7.6344 114.4883 55.9968 40.0476 176.2272 93 G 4.9476 6.8553 116.4254 45.6449 0.0000 170.8853 94 P 4.0761 0.0000 0.0000 62.2904 32.7750 175.9945 95 Y 4.1306 7.6783 116.4930 57.4809 38.9512 177.1062 96 F 4.7474 8.8778 125.7451 56.6378 37.2890 174.3138 97 V 5.0666 7.7505 113.7814 59.6834 36.3761 176.7870 98 G 4.1879 9.2203 108.4389 44.1343 0.0000 170.0475 99 P 5.0065 0.0000 0.0000 62.6354 32.8278 175.7151 100 V 4.4774 9.1290 122.6967 61.1835 34.7526 174.1391 101 V 5.0721 8.6345 127.0268 61.2050 33.7644 174.4623 102 A 4.7671 9.2785 128.3655 49.7854 22.7396 175.3454 103 G 4.3088 7.9662 108.5546 46.6880 0.0000 171.8557 104 I 4.6212 8.1706 120.4310 59.0578 39.4910 175.7463 105 N 4.9588 8.6559 120.9897 53.4269 38.8150 174.5206 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 -8 S 8.33 4.28 0.00 3.84 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 -7 D 7.59 5.34 0.00 2.74 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 -6 P 0.00 4.07 0.00 1.29 1.51 0.00 3.25 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.63 0.00 -5 S 7.82 4.89 0.00 4.04 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 -4 S 8.06 4.79 0.00 3.81 3.76 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 -3 I 7.91 4.61 1.84 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 1.38 0.52 0.88 0.00 0.00 -2 N 7.60 5.09 0.00 2.72 2.69 0.00 0.00 7.63 7.64 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 -1 G 7.79 4.06 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 0.00 0.00 0.00 -7 G 7.58 4.66 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 0.00 0.00 0.00 -6 I 9.44 3.82 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 1.41 1.13 0.91 0.00 0.00 -5 V 7.54 4.54 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 7.78 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 -3 A 8.15 4.76 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 -2 M 7.48 4.83 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 -1 T 7.61 4.45 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 8 G 8.88 4.06 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 0.00 0.00 0.00 9 K 8.76 4.06 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.72 4.45 0.00 2.80 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 11 C 7.36 4.73 0.00 3.01 2.94 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 12 V 8.03 4.94 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 0.71 0.00 0.00 0.85 0.00 0.00 13 A 8.39 4.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 5.36 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.76 0.00 0.00 15 A 8.56 4.97 1.15 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 0.00 0.00 16 C 8.36 5.42 0.00 3.06 2.86 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 17 D 8.49 4.75 0.00 2.73 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 18 L 8.18 5.15 0.00 1.61 1.79 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.26 4.54 0.00 1.85 1.99 0.00 3.23 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 20 L 8.59 4.28 0.00 1.51 1.52 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.29 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.66 0.00 3.77 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 23 Q 8.76 3.73 0.00 2.25 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.75 4.20 0.00 3.97 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 25 L 7.85 4.05 0.00 1.74 1.75 0.92 1.05 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 26 G 8.59 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 27 V 8.46 4.16 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 0.82 0.00 0.00 0.96 0.00 0.00 28 S 8.39 4.77 0.00 3.86 3.68 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 29 N 8.78 5.46 0.00 2.85 2.85 0.00 0.00 5.86 7.13 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 30 K 7.98 4.61 0.00 1.61 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.39 7.81 31 F 8.38 4.42 0.00 3.15 3.02 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 0.00 0.00 0.00 32 E 8.17 4.20 0.00 1.57 1.61 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 2.20 2.35 0.00 33 K 8.39 4.43 0.00 1.68 2.02 0.00 1.80 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.52 7.81 34 I 7.11 4.83 1.75 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 1.25 0.80 1.05 0.00 0.00 35 F 9.10 4.93 0.00 2.72 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 0.00 0.00 0.00 0.00 36 H 7.37 4.96 0.00 1.99 1.69 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.68 0.00 2.66 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 39 G 8.24 4.09 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 0.00 0.00 0.00 40 H 8.92 4.66 0.00 3.35 3.41 0.00 5.51 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.27 4.34 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 0.81 0.00 0.00 0.71 0.00 0.00 42 F 9.47 5.12 0.00 3.13 2.95 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 43 L 9.44 5.30 0.00 2.08 1.88 1.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.63 4.48 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 0.00 0.00 0.00 0.00 45 I 9.06 5.20 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.05 0.00 0.00 46 T 9.16 4.54 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 1.29 0.00 0.00 47 G 8.75 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 0.00 0.00 0.00 48 L 8.80 3.98 0.00 1.90 1.78 0.95 1.31 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 49 A 9.46 4.12 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 3.92 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 1.30 0.00 0.00 51 D 8.40 4.39 0.00 3.08 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 52 V 7.79 3.68 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 1.48 0.00 0.00 1.20 0.00 0.00 53 T 8.54 3.82 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 54 T 7.95 3.77 4.27 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 0.97 0.00 0.00 55 L 7.87 3.34 0.00 1.50 1.46 0.86 -0.82 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 56 N 7.52 4.25 0.00 1.55 2.53 0.00 0.00 6.96 9.00 0.00 0.00 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 E 8.02 3.98 0.00 2.11 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 2.32 2.37 0.00 58 M 7.71 3.72 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 59 F 7.78 4.33 0.00 2.79 2.54 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 60 R 8.16 4.00 0.00 2.20 2.16 0.00 3.18 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 61 Y 8.04 4.11 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 62 K 8.70 4.19 0.00 2.00 2.00 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.59 1.68 7.81 63 T 8.25 3.90 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 0.92 0.00 0.00 64 N 8.58 4.35 0.00 2.93 2.84 0.00 0.00 6.92 7.29 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 65 L 8.06 4.00 0.00 1.76 1.74 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.34 3.97 0.00 3.14 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 67 K 8.34 4.74 0.00 2.12 1.98 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 68 L 7.85 4.01 0.00 1.82 1.69 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.61 4.20 0.00 1.62 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.53 7.81 70 E 8.22 3.87 0.00 1.47 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 1.60 1.47 0.00 71 E 7.85 3.83 0.00 2.08 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 2.23 2.19 0.00 72 R 7.12 4.35 0.00 1.98 2.00 0.00 3.02 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 73 A 8.52 4.67 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 74 I 8.14 3.71 1.00 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 1.18 0.21 0.63 0.00 0.00 75 E 8.26 4.61 0.00 2.05 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 2.41 2.38 0.00 76 P 0.00 4.33 0.00 2.19 2.15 0.00 3.65 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 2.16 2.20 0.00 77 E 8.22 3.97 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 2.42 2.49 0.00 78 T 7.82 3.86 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 1.22 0.00 0.00 79 F 8.48 4.02 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 80 T 8.07 3.62 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 1.15 0.00 0.00 81 Q 7.69 3.91 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 82 L 7.76 3.87 0.00 1.65 1.47 0.97 0.83 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 V 7.41 3.29 1.79 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 0.77 0.00 0.00 -0.61 0.00 0.00 84 S 8.11 4.08 0.00 3.84 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 85 S 8.04 4.20 0.00 4.14 4.10 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 86 S 7.85 4.18 0.00 4.31 4.02 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 0.00 0.00 0.00 87 L 8.20 4.25 0.00 1.94 1.76 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.86 0.00 3.13 2.94 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 89 E 7.93 4.05 0.00 2.17 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 0.00 2.29 2.34 0.00 90 R 7.86 4.43 0.00 1.61 1.64 0.00 2.82 0.00 0.00 2.79 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 91 R 7.02 3.30 0.00 0.67 0.95 0.00 2.71 0.00 0.00 2.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.63 4.91 0.00 3.01 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 93 G 6.86 4.95 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 94 P 0.00 4.08 0.00 1.92 1.84 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 95 Y 7.68 4.13 0.00 2.88 2.78 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 96 F 8.88 4.75 0.00 3.07 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 97 V 7.75 5.07 2.25 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 0.80 0.00 0.00 1.07 0.00 0.00 98 G 9.22 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 99 P 0.00 5.01 0.00 1.98 2.07 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 100 V 9.13 4.48 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 0.98 0.00 0.00 0.98 0.00 0.00 101 V 8.63 5.07 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 0.99 0.00 0.00 1.00 0.00 0.00 102 A 9.28 4.77 1.21 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 0.00 0.00 103 G 7.97 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 0.00 0.00 0.00 0.00 104 I 8.17 4.62 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 1.30 0.70 0.93 0.00 0.00 105 N 8.66 4.96 0.00 2.71 2.72 0.00 0.00 7.19 7.56 0.00 0.00 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.