NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 M 4.4261 8.3049 118.7910 54.7619 33.1435 176.1554 4 H 4.4965 8.3246 116.4053 54.0272 27.9183 170.7806 5 V 3.5993 8.8152 126.4821 65.9666 32.0257 177.1619 6 K 3.7711 7.9240 117.5157 59.4867 31.8100 179.0765 7 E 4.0012 8.0749 118.3984 59.3741 29.4487 179.3749 8 R 3.9915 8.3393 118.4106 59.2286 29.9961 178.4980 9 Y 4.4038 8.3442 121.2517 59.9825 38.7731 177.7443 10 K 3.6438 8.2187 120.7026 59.5320 32.1900 178.5903 11 N 4.3299 8.5257 117.1784 56.0676 38.3147 177.2388 12 F 4.0110 8.4622 122.5596 61.0603 39.6156 177.1478 13 L 3.8881 7.9507 118.8978 57.9097 41.2127 179.1236 14 N 4.2714 7.7603 115.5208 56.6902 38.9622 176.5581 15 Q 3.8445 7.9280 118.5318 57.7794 29.1980 176.1384 16 H 4.5254 7.9232 113.7774 53.4283 31.4773 173.0766 17 V 4.3950 7.6494 119.3629 61.0643 32.6757 176.3478 18 G 4.2064 9.0051 116.1994 43.6085 0.0000 170.6350 19 P 4.5448 0.0000 0.0000 65.3727 31.9617 176.6743 20 D 4.8876 7.7008 116.3470 53.9391 41.7880 175.4397 21 M 4.2367 7.8567 116.7027 54.6533 32.8879 175.6766 22 S 4.6768 7.7769 113.2409 56.7524 66.2658 175.5743 23 V 3.6668 8.3142 114.1830 64.5864 31.4100 178.5469 24 Q 4.1494 8.0138 116.7812 57.6948 28.8845 177.2128 25 R 4.4365 7.7966 116.6263 55.9608 30.4048 177.0751 26 C 4.1524 7.8140 118.9641 60.2706 34.4970 175.8916 27 N 4.4932 8.1275 117.5497 56.4122 38.0873 177.5701 28 S 4.1368 7.9280 113.9373 61.4589 63.3846 175.6124 29 E 4.0127 8.4525 123.2219 58.8412 29.3593 178.7388 30 I 3.9371 7.8594 119.9705 63.4208 37.2997 176.6600 31 G 4.1244 7.8001 108.8857 44.0363 0.0000 172.1611 32 P 4.3171 0.0000 0.0000 64.4742 31.2997 176.7538 33 N 4.7928 7.9555 115.2229 53.7947 40.6883 174.4205 34 N 4.9748 8.1915 112.2271 54.0059 38.7214 175.7806 35 R 4.0628 5.9726 128.7143 57.1057 31.4968 176.3028 36 K 3.7161 7.8512 116.8983 57.2339 30.1305 175.5897 37 I 3.9867 7.6957 118.4751 61.7202 37.7457 177.4185 38 T 4.9922 8.2842 122.6572 61.1986 72.4645 173.5312 39 L 4.1311 8.7470 127.6544 54.9244 43.1347 176.8154 40 S 4.2149 8.7268 122.4246 60.3716 63.2709 174.8832 41 G 3.9997 9.2588 111.8166 45.6141 0.0000 172.9502 42 T 4.7338 7.4649 108.0695 59.8300 71.7652 173.5999 43 D 4.7266 8.5989 120.5712 54.0526 40.4239 176.9223 44 N 5.0153 7.8125 114.8521 53.1080 40.1673 174.2893 45 G 4.1658 8.6721 108.1130 46.1415 0.0000 172.6317 46 C 4.9342 8.6458 120.0413 55.8572 40.8433 174.3472 47 K 4.3291 8.7743 123.7967 55.8600 32.5805 175.4357 48 P 4.6877 0.0000 0.0000 65.2620 32.6940 176.2330 49 V 5.1076 7.6165 117.9666 60.4111 34.6442 173.9427 50 N 4.8216 9.2712 122.1330 52.7610 42.1462 172.8489 51 T 4.8230 8.7629 123.7061 62.0904 70.7596 173.6627 52 F 4.6951 9.1196 125.5031 56.0083 41.1846 174.9633 53 I 4.3019 8.6959 125.4377 60.2113 38.2345 176.4595 54 L 4.9646 8.6479 130.6415 52.6416 39.0136 175.5490 55 A 4.6365 7.4598 121.5217 49.6037 22.8849 176.5447 56 N 4.6109 8.6298 117.8634 53.2703 41.0390 176.1134 57 K 4.1874 8.7803 125.7699 60.4045 32.4953 179.6086 58 R 4.0145 8.0678 118.8162 58.8164 29.8470 178.4885 59 L 4.0726 7.9446 119.1192 58.2296 42.5183 178.5994 60 I 3.8692 8.0121 119.8934 64.2948 37.0258 178.3111 61 K 3.9546 8.4260 120.7414 59.5322 31.9352 178.6787 62 T 3.9245 7.8062 109.8106 63.9948 68.7322 176.5440 63 V 3.5419 7.8911 121.6617 65.9370 31.2786 176.7068 64 C 4.5996 8.2336 115.0148 56.8592 35.3525 174.0501 65 G 3.9092 8.3986 107.4569 45.3268 0.0000 177.4947 66 R 3.9578 9.0112 123.0388 57.7787 29.5028 176.6285 67 A 4.6359 8.0339 121.4938 51.7791 19.1362 175.8276 68 G 5.0511 7.6714 104.2579 44.9758 0.0000 172.6417 69 S 5.0601 8.8696 115.1089 55.4726 67.3354 172.3381 70 P 4.7517 0.0000 0.0000 63.2904 32.2612 176.4702 71 Q 4.2231 9.0879 123.3592 55.1141 30.7620 175.3588 72 G 3.6779 8.2054 117.9179 46.7770 0.0000 172.4868 73 N 4.5958 8.8343 121.8643 53.3321 37.9016 174.4005 74 M 4.7544 7.9599 120.0948 53.9046 35.6419 174.4177 75 V 4.8286 8.7868 118.4134 61.4893 35.1905 174.4749 76 R 5.1790 8.8453 127.8979 54.2101 32.3795 175.4102 77 S 4.7913 8.9398 121.5030 58.6677 63.2445 174.4828 78 N 4.6407 9.2904 119.9482 55.4040 38.7387 175.3785 79 Q 5.0524 7.9613 115.5994 53.0835 31.9562 173.8854 80 P 4.3183 0.0000 0.0000 62.6443 32.5785 175.3480 81 F 4.8803 9.2086 119.9224 54.7603 42.7095 173.0191 82 P 4.9209 0.0000 0.0000 63.2194 32.6104 175.5409 83 V 4.9928 8.9419 114.7442 59.9315 37.0749 174.2296 84 V 4.6583 8.8775 122.7654 61.2323 33.9314 174.1254 85 K 4.6972 9.0168 130.7043 55.2799 33.8956 174.2343 86 C 5.3191 8.8935 125.4375 55.3473 40.7078 172.8551 87 V 5.0170 8.9388 124.6379 60.6238 33.9660 174.5306 88 L 3.7406 9.0752 130.7835 55.3258 42.5605 176.5509 89 N 4.7411 9.1673 124.2890 54.3803 41.9486 173.4352 90 N 5.0145 7.8750 115.0697 53.3384 42.5677 174.5316 91 G 4.3109 9.4026 110.6598 47.0557 0.0000 172.8306 92 E 4.7703 8.7742 118.1437 55.9552 32.5313 175.5382 93 R 5.1012 7.8436 115.3898 54.2124 33.3841 174.4352 94 H 4.5025 8.7682 117.9436 55.0894 29.5720 173.4127 95 P 4.6837 0.0000 0.0000 63.5361 31.5926 175.7475 96 Y 4.7697 7.5292 114.8179 59.0348 38.1651 174.6062 97 C 4.8286 8.0770 118.7768 56.8896 36.9036 172.5939 98 E 5.0655 8.9905 125.3208 54.5423 32.3304 174.1846 99 Y 5.1389 9.5693 123.1668 56.2999 42.2133 174.8798 100 R 4.5897 9.1833 121.2678 54.8798 32.1198 175.7195 101 G 4.5455 8.7586 110.6370 44.8028 0.0000 172.7022 102 T 4.7968 8.8070 119.1024 61.4449 72.4249 172.8096 103 R 4.9002 8.6891 126.8979 55.3657 31.4733 175.2822 104 S 4.6811 8.9182 120.1858 57.8939 66.9800 172.2023 105 T 5.0626 8.4325 115.3923 62.2157 71.1573 174.1261 106 R 4.7745 9.1058 124.6734 54.4464 35.1719 174.0934 107 Y 4.5321 8.7306 120.6052 57.9506 38.5809 175.3864 108 I 4.1865 8.6564 118.7616 60.0892 40.0411 174.9471 109 V 4.7187 7.8876 124.0711 61.2998 33.8930 174.1382 110 L 5.2028 8.8851 127.5727 52.7760 45.9007 175.1812 111 K 4.8021 8.7666 122.0692 55.2181 34.1276 174.5011 112 C 5.5787 8.6926 123.3409 55.2324 44.8693 173.1688 113 E 4.6216 9.0585 122.5378 55.8661 32.2394 175.1053 114 E 3.9362 10.1949 124.3837 57.3499 27.1893 175.7104 115 G 3.7312 8.6067 106.5529 44.7489 0.0000 174.0559 116 W 4.6386 7.8678 120.1032 53.7691 31.0975 173.3651 117 P 4.6523 0.0000 0.0000 62.7978 31.3711 176.7355 118 V 4.6422 8.4241 113.9912 61.1173 33.6052 174.8446 119 H 5.0301 7.8823 118.9088 55.3380 33.2831 171.2012 120 Y 4.8301 8.3460 124.5814 55.9296 40.9950 174.0856 121 H 4.5838 8.5620 127.7179 55.3819 30.4795 174.6072 122 E 4.6027 8.4944 125.2617 54.9858 30.8620 176.0206 123 D 4.5605 8.4098 120.9988 54.1090 41.5681 176.2469 124 E 4.1319 8.5606 122.3734 56.4172 30.2869 176.4790 125 V 4.4705 8.0532 117.2228 59.5186 35.4723 174.6418 126 N 4.7460 8.5709 120.1068 52.1038 39.2776 174.9473 127 V 4.1408 8.1997 119.2277 61.3977 33.1464 176.7362 128 G 4.5803 8.6518 110.1481 46.3042 0.0000 173.6722 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 *3 M 8.30 4.43 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 4 H 8.32 4.50 0.00 3.29 3.53 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.82 3.60 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 1.17 0.00 0.00 0.96 0.00 0.00 6 K 7.92 3.77 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 7 E 8.07 4.00 0.00 2.20 1.98 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 2.38 2.44 0.00 8 R 8.34 3.99 0.00 1.92 2.07 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 9 Y 8.34 4.40 0.00 3.00 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 10 K 8.22 3.64 0.00 1.94 1.87 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 11 N 8.53 4.33 0.00 2.91 2.84 0.00 0.00 6.65 8.15 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 12 F 8.46 4.01 0.00 3.27 3.17 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 13 L 7.95 3.89 0.00 1.68 1.60 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.76 4.27 0.00 2.64 2.75 0.00 0.00 7.34 7.19 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 15 Q 7.93 3.84 0.00 1.47 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 16 H 7.92 4.53 0.00 1.73 2.46 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.65 4.39 2.22 0.00 0.00 0.00 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 1.00 0.00 0.00 18 G 9.01 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 0.00 0.00 0.00 0.00 19 P 0.00 4.54 0.00 2.06 2.19 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 20 D 7.70 4.89 0.00 2.54 2.53 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 0.00 0.00 0.00 0.00 21 M 7.86 4.24 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.20 0.00 22 S 7.78 4.68 0.00 4.06 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 23 V 8.31 3.67 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 1.03 0.00 0.00 0.93 0.00 0.00 24 Q 8.01 4.15 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 25 R 7.80 4.44 0.00 1.80 1.76 0.00 3.06 0.00 0.00 3.05 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 26 C 7.81 4.15 0.00 2.97 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 27 N 8.13 4.49 0.00 2.79 2.95 0.00 0.00 6.82 7.21 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 28 S 7.93 4.14 0.00 3.99 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 29 E 8.45 4.01 0.00 1.88 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 1.76 2.23 0.00 30 I 7.86 3.94 1.93 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.97 0.00 0.00 31 G 7.80 4.12 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 0.00 32 P 0.00 4.32 0.00 2.12 2.06 0.00 3.77 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 1.94 1.92 0.00 33 N 7.96 4.79 0.00 2.71 2.87 0.00 0.00 6.73 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 34 N 8.19 4.97 0.00 2.89 2.29 0.00 0.00 7.01 7.66 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 35 R 5.97 4.06 0.00 1.95 2.11 0.00 3.49 0.00 0.00 3.57 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 36 K 7.85 3.72 0.00 1.79 1.72 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 37 I 7.70 3.99 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.43 0.81 0.00 0.00 38 T 8.28 4.99 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 1.32 0.00 0.00 39 L 8.75 4.13 0.00 1.89 1.56 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.73 4.21 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 41 G 9.26 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 42 T 7.46 4.73 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 43 D 8.60 4.73 0.00 2.79 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 44 N 7.81 5.02 0.00 2.74 3.00 0.00 0.00 6.13 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 45 G 8.67 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 46 C 8.65 4.93 0.00 2.84 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 47 K 8.77 4.33 0.00 1.80 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 48 P 0.00 4.69 0.00 2.14 2.32 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 49 V 7.62 5.11 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 0.68 0.00 0.00 1.08 0.00 0.00 50 N 9.27 4.82 0.00 2.56 2.24 0.00 0.00 7.04 7.21 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 51 T 8.76 4.82 3.39 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 1.03 0.00 0.00 52 F 9.12 4.70 0.00 2.83 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 53 I 8.70 4.30 1.98 0.00 0.00 1.00 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 0.49 1.01 0.00 0.00 54 L 8.65 4.96 0.00 1.70 1.68 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.46 4.64 1.49 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 0.00 0.00 56 N 8.63 4.61 0.00 2.91 2.78 0.00 0.00 6.62 6.11 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 57 K 8.78 4.19 0.00 2.29 2.22 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.74 7.81 58 R 8.07 4.01 0.00 1.94 2.05 0.00 3.16 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 59 L 7.94 4.07 0.00 1.71 2.00 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.01 3.87 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 1.07 0.00 0.00 61 K 8.43 3.95 0.00 1.98 1.90 0.00 1.16 0.00 0.00 1.32 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.29 7.81 62 T 7.81 3.92 4.26 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 1.30 0.00 0.00 63 V 7.89 3.54 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 1.01 0.00 0.00 0.99 0.00 0.00 64 C 8.23 4.60 0.00 3.11 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 65 G 8.40 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 0.00 0.00 0.00 66 R 9.01 3.96 0.00 1.93 2.06 0.00 3.02 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 67 A 8.03 4.64 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 68 G 7.67 5.05 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 69 S 8.87 5.06 0.00 3.73 3.69 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 70 P 0.00 4.75 0.00 2.05 2.03 0.00 3.71 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 1.97 1.95 0.00 71 Q 9.09 4.22 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 72 G 8.21 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 0.00 0.00 0.00 73 N 8.83 4.60 0.00 2.83 2.92 0.00 0.00 5.75 7.66 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 74 M 7.96 4.75 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 75 V 8.79 4.83 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 1.05 0.00 0.00 0.91 0.00 0.00 76 R 8.85 5.18 0.00 1.86 1.73 0.00 3.30 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 77 S 8.94 4.79 0.00 4.23 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 78 N 9.29 4.64 0.00 2.82 3.00 0.00 0.00 6.76 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 79 Q 7.96 5.05 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 80 P 0.00 4.32 0.00 1.78 1.14 0.00 3.56 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 81 F 9.21 4.88 0.00 2.88 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 82 P 0.00 4.92 0.00 2.15 2.18 0.00 3.71 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 2.31 2.00 0.00 83 V 8.94 4.99 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 0.82 0.00 0.00 1.05 0.00 0.00 84 V 8.88 4.66 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 0.82 0.00 0.00 0.93 0.00 0.00 85 K 9.02 4.70 0.00 1.90 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.43 7.81 86 C 8.89 5.32 0.00 2.78 2.72 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 87 V 8.94 5.02 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 1.08 0.00 0.00 0.99 0.00 0.00 88 L 9.08 3.74 0.00 1.84 1.45 0.44 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.17 4.74 0.00 2.76 2.97 0.00 0.00 6.26 6.61 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 90 N 7.87 5.01 0.00 2.79 2.52 0.00 0.00 7.42 7.91 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 91 G 9.40 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 92 E 8.77 4.77 0.00 2.00 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 0.00 2.30 2.23 0.00 93 R 7.84 5.10 0.00 1.94 2.03 0.00 3.02 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 94 H 8.77 4.50 0.00 3.00 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.68 0.00 2.04 1.97 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.73 0.00 96 Y 7.53 4.77 0.00 3.10 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 97 C 8.08 4.83 0.00 3.06 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 98 E 8.99 5.07 0.00 1.94 1.66 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 2.36 2.40 0.00 99 Y 9.57 5.14 0.00 2.87 2.87 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 0.00 100 R 9.18 4.59 0.00 1.79 1.88 0.00 3.10 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 101 G 8.76 4.55 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 0.00 0.00 0.00 102 T 8.81 4.80 4.28 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 1.24 0.00 0.00 103 R 8.69 4.90 0.00 1.81 1.84 0.00 3.50 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 104 S 8.92 4.68 0.00 3.91 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 0.00 105 T 8.43 5.06 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 106 R 9.11 4.77 0.00 1.76 1.85 0.00 3.35 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 107 Y 8.73 4.53 0.00 2.97 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 0.00 108 I 8.66 4.19 1.82 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.99 1.02 0.00 0.00 109 V 7.89 4.72 1.94 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 0.96 0.00 0.00 0.90 0.00 0.00 110 L 8.89 5.20 0.00 1.50 1.50 0.84 0.71 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 0.00 111 K 8.77 4.80 0.00 1.91 1.71 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.45 7.81 112 C 8.69 5.58 0.00 2.82 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 0.00 113 E 9.06 4.62 0.00 1.94 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 0.00 2.25 2.30 0.00 114 E 10.19 3.94 0.00 2.38 2.11 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 2.27 2.35 0.00 115 G 8.61 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 0.00 0.00 0.00 116 W 7.87 4.64 0.00 3.35 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 0.00 117 P 0.00 4.65 0.00 0.49 1.70 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 118 V 8.42 4.64 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 0.81 0.00 0.00 1.03 0.00 0.00 119 H 7.88 5.03 0.00 3.29 3.15 0.00 5.80 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 0.00 120 Y 8.35 4.83 0.00 2.71 2.36 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 0.00 121 H 8.56 4.58 0.00 3.14 3.15 0.00 5.80 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 0.00 122 E 8.49 4.60 0.00 1.98 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 2.38 2.30 0.00 123 D 8.41 4.56 0.00 2.71 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 0.00 124 E 8.56 4.13 0.00 1.95 1.87 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 2.31 2.35 0.00 125 V 8.05 4.47 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 126 N 8.57 4.75 0.00 2.67 2.74 0.00 0.00 7.01 7.71 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 0.00 127 V 8.20 4.14 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 0.75 0.00 0.00 0.92 0.00 0.00 128 G 8.65 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.