NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3738 8.1749 115.2486 62.4511 67.4472 173.7033 -4 E 5.2424 8.5213 124.1454 56.5030 33.5705 174.2482 -3 F 4.8774 8.8956 122.3181 56.1162 43.0637 173.4536 -2 K 4.1740 7.5155 125.9825 53.9051 34.8336 175.5225 -1 A 4.2304 7.3367 124.5805 51.2512 19.0777 177.5688 -4 G 4.8524 8.4313 112.7454 45.0030 0.0000 172.5482 -3 S 4.7274 8.9056 117.7181 56.7162 67.2637 172.2536 -2 A 4.1740 7.4655 129.3825 50.2051 20.8336 176.7225 -1 K 4.2304 7.3867 121.1805 54.9512 33.0777 176.3688 5 K 4.1951 8.1245 119.4240 59.0559 32.0712 178.9541 6 G 3.6521 7.9275 105.5491 47.8904 0.0000 175.1013 7 A 2.5800 7.6810 123.7753 54.4583 18.2457 179.4468 8 T 3.9859 7.6426 107.0569 63.9872 69.2062 176.9276 9 L 3.9046 7.6015 123.6624 57.9193 42.1094 178.2663 10 F 3.9247 8.3519 120.9589 61.4568 39.0808 176.9256 11 K 3.9163 7.9023 116.9320 59.7542 32.0348 178.6835 12 T 4.2552 7.6948 107.3555 62.7182 69.3781 176.0378 13 R 4.5765 8.1916 118.5165 56.0679 32.0091 175.8630 14 C 4.3231 7.9737 114.4883 59.1949 30.8461 176.0008 15 L 3.9799 7.4441 120.7344 57.3584 41.7944 178.4016 16 Q 3.8498 7.8865 117.8325 58.7021 29.0087 177.0711 17 C 4.8162 7.6067 112.6417 59.6062 30.9254 173.8227 18 H 5.4177 8.5299 115.2397 54.0541 32.8864 172.6888 19 T 4.8597 8.5750 110.1003 60.4771 71.2527 175.1970 20 V 4.3555 8.0270 114.3654 61.2487 33.8885 176.5511 21 E 4.1230 7.8838 119.8732 55.3081 30.0117 175.9501 22 K 3.6953 8.3357 123.2891 58.2487 32.2085 176.9950 23 G 3.8978 8.9674 114.2915 45.3703 0.0000 173.3299 24 G 3.7363 8.0313 109.0916 44.4227 0.0000 172.3407 25 P 4.5308 0.0000 0.0000 61.9698 32.5646 175.5837 26 H 4.8869 8.2881 115.9633 55.5400 30.5099 175.8051 27 K 4.5036 8.4794 123.9035 55.3166 33.1539 178.5838 28 V 3.7162 8.9805 123.7473 66.5504 31.6085 176.2184 29 G 4.1076 8.0697 106.5125 43.3775 0.0000 171.4001 30 P 4.5004 0.0000 0.0000 61.7650 32.3845 175.5537 31 N 4.6574 9.1018 119.4556 53.1984 39.7701 174.4760 32 L 4.5297 8.2352 124.1546 54.5735 42.2031 175.9234 33 H 4.2164 8.4669 119.5503 57.3013 30.1483 175.4092 34 G 3.9339 8.3077 113.3242 46.2162 0.0000 174.4537 35 I 3.6702 7.4474 122.4423 63.5098 38.0609 176.5594 36 F 4.8100 7.5959 118.4777 58.8148 39.2142 175.1421 37 G 4.0634 9.9496 115.3509 45.2797 0.0000 173.7589 38 R 4.3404 7.6032 119.2661 56.2650 31.6550 175.1864 39 H 5.7287 8.7232 119.5117 53.2399 30.9165 175.2063 40 S 4.1132 7.8956 115.3788 58.9558 63.6919 174.0578 41 G 2.2429 8.0015 109.6732 46.7547 0.0000 173.8775 42 Q 4.5463 8.0279 114.5466 54.8537 30.1644 175.3230 43 A 4.4659 8.3759 122.6780 51.3074 19.3057 177.7372 44 E 4.3236 8.7731 121.4275 57.0675 30.8196 176.7989 45 G 3.9653 9.2768 108.4955 45.8414 0.0000 172.2742 46 Y 4.3463 7.6543 118.7865 55.2646 41.3436 174.7011 47 S 4.4030 7.4821 121.7661 57.1811 62.1362 172.6366 48 Y 4.9622 8.3337 125.6166 56.5697 39.7880 176.5266 49 T 4.2371 8.4025 112.8315 61.5239 70.9493 175.3180 50 D 4.4238 8.6452 120.8813 57.5375 41.0265 178.5346 51 A 3.9841 8.1593 120.7821 55.4574 18.0007 179.4115 52 I 3.5800 7.3443 115.1537 64.2935 38.3166 177.5915 53 I 3.6684 7.2113 119.2392 64.5806 36.7607 178.5015 54 K 3.8867 7.8775 117.6431 59.3424 31.8743 178.9490 55 K 3.8667 7.6860 118.6978 56.8894 33.4868 176.3548 56 N 3.7846 7.2972 115.0718 54.2253 37.6058 173.0479 57 V 3.7511 7.3900 120.3278 61.7433 33.4903 175.2402 58 L 4.2769 8.2116 129.9433 54.4091 43.1316 175.7719 59 W 5.3288 9.1049 127.3121 55.7197 30.3927 175.0397 60 D 5.3739 8.8851 123.7899 50.5943 42.6581 176.2859 61 E 3.7152 8.7151 117.3237 59.5847 28.9091 178.9020 62 N 4.3232 8.6176 117.7744 56.1429 38.5950 176.9430 63 N 4.2971 8.4359 117.8647 56.9194 39.3436 176.5032 64 M 4.1674 8.2742 119.3974 58.2268 32.0078 178.2599 65 S 4.1300 7.6507 113.2978 61.2651 62.9405 175.5381 66 E 4.1916 7.6098 121.5998 58.8328 28.9369 178.2709 67 Y 4.1847 8.0857 120.8720 60.6196 38.7112 178.2283 68 L 4.1170 7.9260 119.5474 57.8172 41.7209 179.6279 69 T 4.4175 7.8618 117.5109 65.1164 68.8620 173.1919 70 N 4.6453 7.6806 115.0453 52.2830 40.8590 173.3502 71 P 4.4771 0.0000 0.0000 62.9293 30.4390 178.7934 *73 K 4.2405 7.7376 119.1311 57.1573 33.9661 175.7979 74 Y 4.4099 8.7245 120.4564 60.4378 39.0432 176.9178 75 I 4.4878 8.6577 121.1163 58.5300 38.6039 172.2037 76 P 4.6301 0.0000 0.0000 63.6280 31.9039 176.9937 77 G 4.0536 8.9579 110.4477 45.5575 0.0000 174.0080 78 T 4.0501 7.5359 114.1872 62.3747 67.6701 173.8212 79 K 4.2553 8.6570 125.5542 57.2110 33.3007 176.2586 80 M 4.0661 8.2432 120.1447 56.1739 32.0233 176.6303 81 A 4.4521 8.3223 133.8989 50.7090 17.4516 175.7897 82 F 4.9416 7.6862 121.9480 55.3066 42.8647 174.5401 83 G 3.3662 8.5431 117.6707 48.9693 0.0000 173.9393 84 G 3.8778 5.3800 103.9842 43.6687 0.0000 172.9691 85 L 4.6916 7.7027 119.3092 52.7004 41.7693 177.5786 86 K 4.0396 8.1973 121.9695 58.1689 33.0006 178.3737 87 K 4.2264 7.8977 119.6612 55.6557 33.0936 177.3019 88 E 4.0311 8.8766 125.5661 58.9326 29.8054 178.7571 89 K 3.9431 8.0343 118.5507 60.2883 32.5254 178.7496 90 D 4.4050 8.0808 119.9263 56.8377 40.7280 178.6423 91 R 4.0110 8.0466 118.5913 59.4206 30.1292 178.8303 92 N 4.7650 8.7365 116.3169 56.6088 38.5452 176.8610 93 D 4.5338 7.9679 119.6859 57.6041 40.9310 178.6553 94 L 4.1076 8.2942 120.6024 58.6912 42.1012 179.3028 95 I 3.8338 8.3170 119.6977 64.5119 36.8118 178.6119 96 T 4.0645 8.2311 116.9758 66.6064 68.1797 176.1396 97 Y 4.0620 8.4241 121.8873 60.8055 38.9282 178.0823 98 L 3.7415 8.1986 120.1589 57.4616 41.4979 179.1362 99 K 3.7081 8.2552 119.2462 59.3724 32.0009 178.7137 100 K 4.0004 7.3304 117.5746 59.2992 32.5099 178.8249 101 A 4.0539 7.6233 121.0924 54.6098 18.4505 178.8584 102 C 4.1865 7.6890 112.2683 60.2536 27.8385 173.6072 103 E 4.1045 7.8413 127.1381 56.3220 29.1258 175.7890 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 -5 T 8.17 4.37 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 1.22 0.00 0.00 -4 E 8.52 5.24 0.00 2.10 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 2.25 2.35 0.00 -3 F 8.90 4.88 0.00 2.95 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 -2 K 7.52 4.17 0.00 1.48 1.38 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.26 7.81 -1 A 7.34 4.23 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 -4 G 8.43 4.85 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 0.00 0.00 0.00 -3 S 8.91 4.73 0.00 3.70 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 -2 A 7.47 4.17 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 -1 K 7.39 4.23 0.00 1.58 1.49 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.30 7.81 5 K 8.12 4.20 0.00 1.87 2.00 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.71 7.81 6 G 7.93 3.65 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 0.00 0.00 0.00 7 A 7.68 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.64 3.99 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 1.17 0.00 0.00 9 L 7.60 3.90 0.00 1.96 1.80 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.35 3.92 0.00 3.06 2.88 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 0.00 0.00 0.00 11 K 7.90 3.92 0.00 1.77 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.71 7.81 12 T 7.69 4.26 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 1.20 0.00 0.00 13 R 8.19 4.58 0.00 1.73 2.02 0.00 3.18 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 14 C 7.97 4.32 0.00 1.23 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 0.00 0.00 0.00 0.00 15 L 7.44 3.98 0.00 1.63 1.71 1.16 0.88 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 16 Q 7.89 3.85 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 17 C 7.61 4.82 0.00 2.83 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 18 H 8.53 5.42 0.00 3.07 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.57 4.86 4.58 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 1.29 0.00 0.00 20 V 8.03 4.36 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 0.16 0.00 0.00 0.71 0.00 0.00 21 E 7.88 4.12 0.00 2.05 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 2.40 2.36 0.00 22 K 8.34 3.70 0.00 1.26 1.60 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.41 7.81 23 G 8.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.03 3.74 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 0.00 0.00 0.00 25 P 0.00 4.53 0.00 2.21 2.07 0.00 3.78 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 2.00 2.00 0.00 26 H 8.29 4.89 0.00 3.27 3.40 0.00 5.64 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 27 K 8.48 4.50 0.00 1.88 1.42 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.38 7.81 28 V 8.98 3.72 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 8.07 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 30 P 0.00 4.50 0.00 1.73 0.60 0.00 3.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 31 N 9.10 4.66 0.00 2.98 2.79 0.00 0.00 7.24 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 32 L 8.24 4.53 0.00 1.54 1.40 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.47 4.22 0.00 3.26 3.25 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.31 3.93 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 35 I 7.45 3.67 1.70 0.00 0.00 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 0.43 0.75 0.06 0.00 0.00 36 F 7.60 4.81 0.00 3.08 2.89 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 0.00 37 G 9.95 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 38 R 7.60 4.34 0.00 2.08 2.07 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 39 H 8.72 5.73 0.00 2.95 3.01 0.00 6.00 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.90 4.11 0.00 3.71 3.47 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 41 G 8.00 2.24 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 0.00 42 Q 8.03 4.55 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 43 A 8.38 4.47 1.41 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 0.00 0.00 44 E 8.77 4.32 0.00 2.16 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 0.00 2.32 2.36 0.00 45 G 9.28 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 0.00 0.00 0.00 46 Y 7.65 4.35 0.00 2.35 2.27 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 47 S 7.48 4.40 0.00 3.68 3.42 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 48 Y 8.33 4.96 0.00 3.08 2.96 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 49 T 8.40 4.24 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 1.36 0.00 0.00 50 D 8.65 4.42 0.00 2.76 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 51 A 8.16 3.98 1.40 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 0.00 0.00 52 I 7.34 3.58 2.00 0.00 0.00 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 1.46 0.90 0.98 0.00 0.00 53 I 7.21 3.67 1.99 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 1.34 1.01 0.87 0.00 0.00 54 K 7.88 3.89 0.00 1.98 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 55 K 7.69 3.87 0.00 1.70 1.91 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.22 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.20 1.21 7.81 56 N 7.30 3.78 0.00 2.75 2.60 0.00 0.00 7.14 8.23 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 57 V 7.39 3.75 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 -0.04 0.00 0.00 0.67 0.00 0.00 58 L 8.21 4.28 0.00 1.61 1.49 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.10 5.33 0.00 3.43 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 60 D 8.89 5.37 0.00 2.77 2.81 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 61 E 8.72 3.72 0.00 1.24 1.43 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 1.95 2.20 0.00 62 N 8.62 4.32 0.00 2.94 2.96 0.00 0.00 6.66 6.47 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 63 N 8.44 4.30 0.00 3.02 3.11 0.00 0.00 6.79 7.65 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 64 M 8.27 4.17 0.00 2.54 2.11 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 65 S 7.65 4.13 0.00 3.99 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 66 E 7.61 4.19 0.00 2.00 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 2.07 2.25 0.00 67 Y 8.09 4.18 0.00 2.99 2.99 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 68 L 7.93 4.12 0.00 2.01 1.78 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.86 4.42 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 1.23 0.00 0.00 70 N 7.68 4.65 0.00 2.71 2.69 0.00 0.00 6.96 7.59 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 71 P 0.00 4.48 0.00 2.10 0.77 0.00 3.59 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 2.05 1.86 0.00 *73 K 7.74 4.24 0.00 2.03 2.19 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.57 7.81 74 Y 8.72 4.41 0.00 3.07 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 4.49 2.07 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 1.26 1.21 0.92 0.00 0.00 76 P 0.00 4.63 0.00 2.05 2.01 0.00 3.63 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 2.03 2.26 0.00 77 G 8.96 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 78 T 7.54 4.05 4.49 0.00 0.00 0.00 0.00 0.00 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 79 K 8.66 4.26 0.00 1.97 1.99 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 80 M 8.24 4.07 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 81 A 8.32 4.45 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.69 4.94 0.00 2.86 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 83 G 8.54 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.70 4.69 0.00 1.94 1.67 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.20 4.04 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.37 7.81 87 K 7.90 4.23 0.00 2.07 1.70 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 88 E 8.88 4.03 0.00 2.07 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 0.00 2.42 2.42 0.00 89 K 8.03 3.94 0.00 2.03 2.07 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.56 7.81 90 D 8.08 4.40 0.00 2.79 2.81 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 91 R 8.05 4.01 0.00 2.22 2.10 0.00 3.24 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 92 N 8.74 4.76 0.00 2.87 2.94 0.00 0.00 7.06 8.00 0.00 0.00 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 D 7.97 4.53 0.00 2.94 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 94 L 8.29 4.11 0.00 1.84 1.88 1.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.32 3.83 1.91 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 1.55 0.50 0.35 0.00 0.00 96 T 8.23 4.06 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 97 Y 8.42 4.06 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 98 L 8.20 3.74 0.00 1.88 1.67 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.26 3.71 0.00 1.48 2.01 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.20 7.81 100 K 7.33 4.00 0.00 1.68 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.57 7.81 101 A 7.62 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 C 7.69 4.19 0.00 2.91 2.98 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 0.00 103 E 7.84 4.10 0.00 2.03 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 2.24 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.