NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.1865 8.3344 115.2805 57.4644 64.5153 172.9911 -7 D 5.5231 7.5438 119.4556 50.6536 41.2084 173.8042 -6 P 4.2771 0.0000 0.0000 65.7769 32.2415 178.1344 -5 S 5.0122 8.0003 111.4830 59.7570 63.0209 174.6051 -4 S 4.7733 8.5561 117.2254 58.3869 64.3403 176.1869 -3 I 4.4212 7.9149 122.2717 62.8358 37.8995 177.5867 -2 N 4.7807 7.5107 115.3414 51.7120 39.6561 176.5280 -1 G 4.1470 7.7947 108.0705 44.4829 0.0000 172.4297 -7 G 4.8431 7.5338 107.8556 41.5536 0.0000 172.4042 -6 I 4.0271 9.2562 128.6809 63.5769 38.9415 177.2344 -5 V 4.6622 7.7203 114.9830 63.6570 32.1209 176.3051 -4 V 4.4233 8.2761 120.7254 62.2869 33.4403 177.8869 -3 A 4.5712 8.1549 126.1717 54.2358 18.1995 178.9867 -2 M 4.5207 7.3907 116.2414 54.0120 33.6561 177.6280 -1 T 4.5370 7.6147 112.8705 61.1829 68.0325 172.2297 8 G 3.9631 8.6299 110.9229 44.1672 0.0000 171.5848 9 K 3.9521 8.6029 120.7080 57.1068 31.7759 176.8116 10 D 4.6340 8.6764 127.3079 54.6873 38.6178 173.0861 11 C 4.6774 7.1668 110.8868 57.7717 32.6200 172.4934 12 V 5.0232 7.9393 111.9993 59.8433 35.5152 174.7753 13 A 4.6621 8.3701 122.6193 50.3002 22.1729 175.3916 14 I 5.2813 8.2183 120.4516 59.3361 40.7727 174.2185 15 A 4.9612 8.5964 129.6696 50.6173 22.3653 174.3134 16 C 5.3515 8.3488 113.1057 57.0423 33.0472 173.2558 17 D 4.7725 8.5178 119.9998 52.7491 41.4112 175.7694 18 L 5.0699 8.2517 114.7108 53.5054 43.6251 176.7312 19 R 4.5812 8.2100 119.7803 56.2844 31.2948 175.8494 20 L 4.4764 8.8069 126.8716 54.0911 45.1463 174.6534 21 G 4.1498 8.1832 114.6769 44.7260 0.0000 171.7135 22 S 4.5063 8.7849 112.9636 56.0204 63.7208 176.1023 23 Q 3.7189 8.7450 129.2434 56.7241 26.7913 177.0514 24 S 4.1915 8.8270 121.6298 61.4897 63.4350 174.0312 25 L 4.1045 7.7615 124.8673 54.1456 42.0694 176.0657 26 G 4.0073 8.5934 115.8376 45.4746 0.0000 172.6462 27 V 4.1914 8.7354 123.1397 63.5366 33.7230 176.0201 28 S 4.6652 7.6682 112.6959 56.7465 65.2645 173.1597 29 N 4.8592 8.8521 123.0932 52.7498 37.3164 174.8741 30 K 4.5662 8.0681 114.8084 56.5297 34.1353 176.8995 31 F 4.4626 8.4671 125.0843 57.4531 38.7573 174.4070 32 E 4.0402 8.1980 124.0460 55.6663 30.4802 176.6136 33 K 4.3535 8.3811 120.0568 55.9854 34.2735 174.9598 34 I 4.8712 7.1373 120.9503 59.5224 39.2943 174.8724 35 F 4.9813 9.4714 124.6924 55.9798 43.8711 173.3232 36 H 4.9055 7.4270 113.6898 53.4186 32.1265 172.5029 *38 Y 4.5739 7.9314 116.3086 58.8213 38.7669 175.7962 39 G 3.9966 8.0970 117.8906 47.0545 0.0000 172.6827 40 H 4.6559 8.8311 120.4292 55.0246 29.1401 174.3990 41 V 4.1964 7.2295 121.6233 61.8479 33.0281 174.4701 42 F 5.0492 9.2696 126.6007 55.5767 42.0215 174.3215 43 L 5.3397 9.5725 124.7242 53.3889 45.1895 175.1590 44 G 4.5977 9.6023 113.6843 44.6638 0.0000 172.4884 45 I 5.1022 8.7924 123.8926 59.8648 40.4842 175.1388 46 T 4.4750 8.7103 117.9916 60.6318 71.4205 173.0036 47 G 3.7858 8.7651 106.2670 44.0961 0.0000 172.9713 48 L 4.1095 8.9642 124.0211 54.9457 42.6757 178.4501 49 A 4.1275 10.0592 128.5648 55.8807 18.1548 178.9440 50 T 3.8317 8.0313 110.7849 65.7220 67.3293 175.7271 51 D 4.4114 8.1657 120.2000 57.0267 41.0005 178.6376 52 V 3.6263 7.9667 118.8643 66.3575 31.6291 178.0837 53 T 3.8595 8.3127 115.5677 67.0752 68.2790 176.6087 54 T 3.7731 8.0164 117.4754 66.7001 68.4970 176.7027 55 L 3.2997 8.0320 121.1205 57.3370 41.5502 179.0401 56 N 4.3142 7.7280 118.2463 56.2437 38.8361 176.7672 57 E 3.9666 7.9988 119.8176 59.4158 29.3805 179.2063 58 M 3.7420 7.8771 118.5134 58.7266 32.3145 178.4738 59 F 4.3947 7.9573 118.0747 60.0926 38.8393 177.6515 60 R 3.8761 8.0523 118.7800 59.5185 30.0351 177.4243 61 Y 4.0778 7.8377 118.7408 61.0690 38.7168 178.6932 62 K 4.2614 8.7024 119.5666 59.8379 32.1826 179.6094 63 T 4.0300 8.4553 110.3278 64.4454 68.6115 176.5766 64 N 4.3267 8.4042 119.7901 56.4629 38.5467 177.4140 65 L 4.0336 7.7864 119.7031 57.6130 41.5479 179.1379 66 Y 3.9692 8.0196 119.8389 60.5779 38.8108 177.7451 67 K 4.5220 8.4074 122.0903 59.1802 32.0669 178.7052 68 L 3.9990 7.8003 118.1270 57.1713 41.5034 179.2436 69 K 4.1507 7.4356 117.5931 59.0810 32.6343 178.8868 70 E 3.9042 8.0785 116.8673 56.6353 29.6011 176.6728 71 E 3.8959 8.0847 117.6022 56.4943 27.7791 174.1720 72 R 4.4849 7.3916 110.7017 55.3732 31.9479 173.4017 73 A 4.5634 8.4268 122.0858 51.0082 19.6750 177.5135 74 I 3.5352 8.2026 121.5004 61.3788 38.3119 175.8601 75 E 4.6118 8.2855 125.2546 54.1138 32.6365 175.4151 76 P 4.3352 0.0000 0.0000 66.1458 31.4327 178.4736 77 E 3.9578 8.2563 116.3407 60.1738 29.5775 179.6092 78 T 3.8746 7.9005 114.8023 66.5572 68.5399 176.3413 79 F 4.0399 8.7003 122.9066 61.4175 39.3145 177.0458 80 T 3.5891 8.1984 115.7836 67.0069 68.3308 176.2802 81 Q 3.8958 7.8662 119.4924 58.9473 28.5836 179.1537 82 L 3.8498 7.4634 120.9425 57.9494 42.1139 178.9771 83 V 3.2249 7.3438 118.5683 65.8391 31.3162 177.8214 84 S 4.0547 8.1252 113.2223 61.5706 62.1831 176.3876 85 S 4.1994 8.0556 116.8683 61.5815 62.4670 176.5592 86 S 4.1829 8.2794 118.4345 61.2129 62.7777 176.4068 87 L 4.2459 8.2399 121.8722 58.0520 41.5370 178.8749 88 Y 3.8120 8.1752 119.0031 60.0755 38.4085 177.4658 89 E 4.1038 7.9195 119.4471 58.0816 29.9493 177.0466 90 R 4.4403 7.6860 118.2998 55.4553 30.8218 177.9890 91 R 3.2501 7.0058 121.1823 58.7852 29.8109 176.8264 92 F 4.9315 7.6013 115.1811 56.0363 40.1436 175.7367 93 G 4.8725 7.0902 113.7858 45.5005 0.0000 171.2819 94 P 4.0818 0.0000 0.0000 62.4609 32.5213 175.7693 95 Y 4.2453 7.7744 116.5660 57.4292 38.8609 176.8065 96 F 4.6629 8.9328 124.5096 56.4549 37.8219 174.9044 97 V 4.9902 7.8963 114.1316 59.7527 36.4928 175.3777 98 G 4.1637 9.1842 109.5406 43.6029 0.0000 170.3765 99 P 4.9297 0.0000 0.0000 62.9225 32.9841 175.8307 100 V 4.4670 8.9761 121.8690 61.5227 34.9702 173.8041 101 V 5.1067 8.6405 127.2652 61.2426 33.6957 174.5014 102 A 4.7614 9.2205 128.5056 50.0234 22.7596 175.3419 103 G 4.3482 7.9450 108.0459 46.6376 0.0000 172.0707 104 I 4.6252 8.2505 120.3990 58.9345 39.5659 175.7166 105 N 4.9714 8.7393 121.5077 53.4718 38.7740 174.3676 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 4.19 0.00 3.81 3.92 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 0.00 0.00 0.00 -7 D 7.54 5.52 0.00 2.77 2.49 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 -6 P 0.00 4.28 0.00 1.21 1.61 0.00 3.19 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 0.79 1.67 0.00 -5 S 8.00 5.01 0.00 4.19 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 -4 S 8.56 4.77 0.00 3.75 3.77 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 -3 I 7.91 4.42 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.14 0.87 0.00 0.00 -2 N 7.51 4.78 0.00 2.72 2.70 0.00 0.00 7.51 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 -1 G 7.79 4.15 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 0.00 -7 G 7.53 4.84 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 0.00 0.00 0.00 -6 I 9.26 4.03 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 0.67 0.91 0.00 0.00 -5 V 7.72 4.66 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 0.52 0.00 0.00 0.93 0.00 0.00 -4 V 8.28 4.42 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 0.90 0.00 0.00 0.93 0.00 0.00 -3 A 8.15 4.57 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 -2 M 7.39 4.52 0.00 2.00 1.96 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 2.62 2.48 0.00 -1 T 7.61 4.54 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 8.63 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 0.00 0.00 0.00 9 K 8.60 3.95 0.00 1.84 1.72 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.51 7.81 10 D 8.68 4.63 0.00 2.81 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 11 C 7.17 4.68 0.00 3.19 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 12 V 7.94 5.02 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 0.72 0.00 0.00 0.88 0.00 0.00 13 A 8.37 4.66 1.11 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 14 I 8.22 5.28 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.73 0.00 0.00 15 A 8.60 4.96 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 8.35 5.35 0.00 3.11 2.85 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 17 D 8.52 4.77 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 8.25 5.07 0.00 1.61 1.80 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.21 4.58 0.00 1.85 2.01 0.00 3.21 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 20 L 8.81 4.48 0.00 1.55 1.53 0.76 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.18 4.15 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 0.00 22 S 8.78 4.51 0.00 3.76 3.66 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 23 Q 8.75 3.72 0.00 2.24 1.37 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 2.23 2.25 0.00 24 S 8.83 4.19 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 7.76 4.10 0.00 1.69 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 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 27 V 8.74 4.19 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 0.78 0.00 0.00 0.96 0.00 0.00 28 S 7.67 4.67 0.00 3.87 3.66 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 29 N 8.85 4.86 0.00 2.87 2.88 0.00 0.00 5.90 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 8.07 4.57 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.47 4.46 0.00 3.21 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 32 E 8.20 4.04 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 2.22 2.35 0.00 33 K 8.38 4.35 0.00 1.66 1.98 0.00 1.78 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.61 7.81 34 I 7.14 4.87 1.74 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 1.24 0.80 1.02 0.00 0.00 35 F 9.47 4.98 0.00 2.71 2.61 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 0.00 0.00 0.00 36 H 7.43 4.91 0.00 1.90 1.80 0.00 5.85 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 *38 Y 7.93 4.57 0.00 2.68 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 8.10 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 40 H 8.83 4.66 0.00 3.34 3.40 0.00 5.52 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 41 V 7.23 4.20 1.77 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 0.76 0.00 0.00 0.67 0.00 0.00 42 F 9.27 5.05 0.00 3.21 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 43 L 9.57 5.34 0.00 2.09 1.83 1.17 1.61 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 44 G 9.60 4.60 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 0.00 0.00 0.00 45 I 8.79 5.10 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 1.04 0.00 0.00 46 T 8.71 4.47 4.33 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 0.00 0.00 0.00 1.29 0.00 0.00 47 G 8.77 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.96 4.11 0.00 1.86 1.75 0.97 1.40 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 49 A 10.06 4.13 1.08 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 0.00 0.00 50 T 8.03 3.83 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 1.29 0.00 0.00 51 D 8.17 4.41 0.00 3.10 2.83 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 52 V 7.97 3.63 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 1.41 0.00 0.00 1.21 0.00 0.00 53 T 8.31 3.86 4.51 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 1.26 0.00 0.00 54 T 8.02 3.77 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 1.08 0.00 0.00 55 L 8.03 3.30 0.00 1.43 1.40 0.81 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.73 4.31 0.00 1.46 2.42 0.00 0.00 6.83 7.01 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 57 E 8.00 3.97 0.00 2.13 1.95 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 2.31 2.45 0.00 58 M 7.88 3.74 0.00 1.46 1.62 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 59 F 7.96 4.39 0.00 2.76 2.52 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 0.00 0.00 0.00 0.00 60 R 8.05 3.88 0.00 2.21 2.14 0.00 3.18 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 61 Y 7.84 4.08 0.00 3.15 3.10 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 62 K 8.70 4.26 0.00 2.00 2.00 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.64 7.81 63 T 8.46 4.03 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 0.93 0.00 0.00 64 N 8.40 4.33 0.00 2.96 2.86 0.00 0.00 6.88 6.66 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 65 L 7.79 4.03 0.00 1.77 1.74 0.87 0.69 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 66 Y 8.02 3.97 0.00 3.20 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 67 K 8.41 4.52 0.00 2.11 2.00 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 68 L 7.80 4.00 0.00 1.83 1.69 0.92 0.94 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 69 K 7.44 4.15 0.00 1.50 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.59 7.81 70 E 8.08 3.90 0.00 1.57 1.78 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 1.63 1.47 0.00 71 E 8.08 3.90 0.00 2.08 2.01 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 2.23 2.19 0.00 72 R 7.39 4.48 0.00 1.99 2.00 0.00 3.01 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 1.58 1.72 0.00 73 A 8.43 4.56 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.20 3.54 1.15 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.51 0.62 0.00 0.00 75 E 8.29 4.61 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 2.40 2.38 0.00 76 P 0.00 4.34 0.00 2.19 2.17 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 77 E 8.26 3.96 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 2.50 0.00 78 T 7.90 3.87 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 1.24 0.00 0.00 79 F 8.70 4.04 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 80 T 8.20 3.59 4.38 0.00 0.00 0.00 0.00 0.00 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 7.87 3.90 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 82 L 7.46 3.85 0.00 1.67 1.46 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.34 3.22 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 0.80 0.00 0.00 -0.55 0.00 0.00 84 S 8.13 4.05 0.00 3.89 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 8.06 4.20 0.00 4.12 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 86 S 8.28 4.18 0.00 4.19 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 8.24 4.25 0.00 1.90 1.76 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.18 3.81 0.00 3.16 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 89 E 7.92 4.10 0.00 2.08 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 7.69 4.44 0.00 1.75 1.69 0.00 2.87 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 91 R 7.01 3.25 0.00 0.67 1.03 0.00 2.62 0.00 0.00 2.25 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 7.60 4.93 0.00 2.99 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 93 G 7.09 4.87 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 94 P 0.00 4.08 0.00 1.84 1.80 0.00 3.54 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 1.30 1.74 0.00 95 Y 7.77 4.25 0.00 2.90 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 96 F 8.93 4.66 0.00 3.08 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 7.90 4.99 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 0.79 0.00 0.00 1.01 0.00 0.00 98 G 9.18 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.93 0.00 1.99 2.09 0.00 3.69 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 2.10 2.18 0.00 100 V 8.98 4.47 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 0.80 0.00 0.00 0.99 0.00 0.00 101 V 8.64 5.11 2.14 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 0.99 0.00 0.00 1.05 0.00 0.00 102 A 9.22 4.76 1.22 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 0.00 0.00 0.00 103 G 7.94 4.35 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 0.00 104 I 8.25 4.63 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 1.33 1.00 0.93 0.00 0.00 105 N 8.74 4.97 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.