NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 T 4.2013 8.1749 110.9395 61.9127 70.5890 173.0326 1 M 3.0163 8.3817 118.7131 56.6188 29.4945 175.8282 2 K 4.7274 8.6206 116.9098 55.9119 36.4765 177.1938 3 F 5.2494 8.1949 122.6326 56.6822 43.1012 172.5409 4 M 5.3541 8.4499 124.9374 53.6370 35.5119 173.8503 5 A 4.9768 9.3306 126.7530 50.0286 22.6937 174.6223 6 E 5.0686 9.2812 121.5884 54.5416 33.4011 173.8881 7 N 5.2706 9.3831 126.5685 52.1404 40.7093 173.5839 8 R 4.3003 9.0331 128.9506 55.3831 31.1757 174.7177 9 L 5.0458 8.8928 128.0792 53.7149 43.8261 175.9158 10 T 4.9159 8.8495 121.5119 62.2358 70.2123 174.0818 11 L 5.4103 8.8101 126.0509 52.6346 46.0068 176.0733 12 T 4.4788 8.6486 117.5861 63.2874 69.5073 174.4626 13 K 4.0383 8.7318 127.0232 58.3552 32.5603 176.8810 14 G 4.0027 10.2902 115.7264 45.8445 0.0000 174.2832 15 T 4.4296 7.7652 109.2633 61.4117 69.3515 176.0953 16 A 4.0173 8.1523 124.6949 55.4109 18.5331 179.0020 17 K 3.7869 8.2318 117.5919 60.2885 31.8796 178.3750 18 D 4.4353 8.0315 116.7057 57.3118 41.1715 178.3961 19 I 3.9871 7.8391 120.1934 64.4740 37.2566 178.5038 20 I 4.0439 8.4602 121.1276 64.6310 37.0939 178.3627 21 E 4.2396 8.3943 119.0711 59.4233 29.0737 179.5584 22 R 3.9686 7.9377 117.8499 59.0186 29.8314 178.1218 23 F 4.4333 8.0399 114.3342 58.3695 39.0487 176.0172 24 Y 4.4950 7.9122 115.6904 57.4415 38.0632 175.1378 25 T 4.4318 7.3169 118.2782 61.5136 69.2807 174.3765 26 R 4.2905 8.2332 123.1296 56.1021 30.5822 176.0369 27 H 4.7657 8.7508 114.7592 55.7189 30.1964 174.3794 28 G 4.1167 8.0134 106.3030 45.3177 0.0000 176.2094 29 I 3.5474 7.9026 120.5894 63.7837 38.1150 177.5238 30 E 3.9910 7.8886 118.8445 59.3016 29.3547 178.2301 31 T 4.1291 7.5316 107.8923 63.4470 69.4116 175.2841 32 L 4.2605 7.9045 123.8581 54.5530 42.2890 177.7784 33 E 4.0388 9.1477 123.5313 59.6555 29.7557 178.7752 34 G 3.9039 8.2393 106.1289 47.0475 0.0000 172.7174 35 F 3.9907 7.9750 123.5583 57.8211 39.6329 174.6752 36 D 4.2401 8.8340 127.0048 53.5121 41.8543 175.6040 37 G 3.6326 4.0000 105.2616 43.1426 0.0000 171.7640 38 M 5.0550 7.1659 116.2666 54.2192 34.2999 174.1383 39 F 4.8595 9.1725 117.5778 55.6757 43.6393 174.1556 40 V 4.8303 8.5579 121.9499 61.3819 33.5038 174.5669 41 T 4.7865 8.9934 118.1230 59.8282 72.3954 172.6628 42 Q 5.0243 8.3454 122.6804 54.4069 31.5105 174.9818 43 T 4.1185 8.5987 124.0671 63.6434 69.0265 174.4666 44 L 4.3727 8.5027 125.6067 55.0218 42.9590 175.8790 45 E 3.7748 8.5999 118.0784 57.8109 26.5740 174.3118 46 Q 4.6299 8.1561 116.6288 54.5899 30.6973 175.0801 47 E 4.4647 8.7415 121.1544 58.2005 31.2167 177.3683 48 D 4.1968 7.9214 116.5073 56.6725 41.1665 175.9388 49 F 5.0452 7.6249 114.7726 56.4140 43.4509 173.4699 50 D 5.1193 9.1717 119.8948 52.9315 44.0641 175.4593 51 E 5.0453 8.5595 120.4634 54.6787 33.0483 174.0282 52 V 5.0020 8.7964 126.8501 61.0115 34.5836 174.1108 53 K 4.9951 8.9071 126.8386 54.7009 35.2643 175.2407 54 I 4.5544 8.4636 125.8551 59.8672 38.7655 174.2798 55 L 5.2389 9.0531 128.9625 53.2775 43.7431 175.9329 56 T 4.8655 9.4150 114.5252 59.8233 71.7538 172.9812 57 V 4.6730 8.2410 126.0357 61.1762 33.4181 174.6102 58 W 5.3366 9.6641 127.2526 54.5289 32.8402 176.3575 59 K 4.2752 9.6846 124.1101 59.7549 32.2327 176.8332 60 S 4.6549 8.0083 111.6415 55.9084 65.3922 175.8471 61 K 2.0000 8.1460 121.6054 59.0578 31.4902 178.4919 62 Q 3.7770 7.7792 119.0352 58.9604 29.1037 177.6205 63 A 4.0222 7.6364 121.9540 55.2825 18.3689 179.4896 64 F 2.4675 7.5178 118.4515 61.1370 39.3337 177.3151 65 T 3.3516 7.4184 107.9421 64.6687 68.6076 175.6448 66 D 4.3534 8.2330 122.0504 56.9164 40.8951 178.4748 67 W 4.2932 7.7139 128.2167 60.5623 30.3787 177.7717 68 L 2.4400 6.8707 118.1314 56.4200 40.9633 178.6482 69 K 4.1732 7.0308 115.4051 55.7500 33.0598 176.7559 70 S 4.4956 7.1465 115.9004 57.8881 64.3698 175.0211 71 D 4.4746 8.5650 120.5439 57.5043 40.6006 179.4428 72 V 3.7946 7.8742 112.5054 64.0455 31.5008 178.2459 73 F 4.0360 8.0588 121.0028 60.9603 38.8954 177.4227 74 K 3.8822 7.6271 115.6838 59.2733 31.9490 178.6953 75 A 4.0893 7.8202 119.5393 55.1721 18.3659 179.3546 76 A 3.5780 7.4725 117.3255 55.0250 19.9822 179.4533 77 H 4.5655 7.5971 114.5205 53.5838 25.3263 176.6317 78 K 4.1628 7.0748 118.4113 55.8489 34.4287 175.5695 *89 S 4.4865 8.5103 118.1844 57.4906 64.0688 172.8328 90 P 4.5767 0.0000 0.0000 63.4553 31.1837 175.7499 91 I 4.5910 7.6479 122.7243 60.5596 36.7115 176.2773 92 I 4.1135 8.7744 129.8097 63.3875 37.6023 176.4445 93 N 4.4838 6.9963 118.4137 52.4656 40.5636 173.5849 94 N 5.5949 8.8188 117.0325 51.1437 40.6035 173.3577 95 K 4.7111 8.8529 121.3265 54.7046 36.2299 174.6737 96 V 4.9242 8.5324 125.6791 61.3450 33.3041 174.6642 97 I 4.7317 8.8207 128.3786 59.6090 40.6867 174.6398 98 T 4.7879 7.8945 113.7684 60.2485 71.9483 172.4696 99 Y 4.7337 8.1385 118.9323 56.6851 43.0526 173.5403 100 D 5.1182 8.6351 121.3030 52.9478 42.7452 176.3432 101 I 4.0948 8.5141 125.6205 60.5062 36.7464 176.4085 102 G 3.8253 8.8838 116.8950 47.3467 0.0000 172.0958 103 Y 4.6187 7.5413 117.7719 56.8046 41.5361 173.2473 104 S 4.4161 7.2978 119.6625 57.0843 65.9176 173.4176 105 Y 4.1427 8.1656 123.3845 56.9090 39.7807 174.2802 106 M 4.3510 7.9133 128.6030 52.6407 31.3689 175.6165 107 K 4.1067 8.6262 123.8194 56.4502 32.1994 176.0654 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 0 T 8.17 4.20 4.54 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 1.20 0.00 0.00 1 M 8.38 3.02 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 2 K 8.62 4.73 0.00 1.93 1.88 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 3 F 8.19 5.25 0.00 3.19 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 4 M 8.45 5.35 0.00 2.03 1.78 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 2.47 2.45 0.00 5 A 9.33 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 9.28 5.07 0.00 2.17 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 0.00 2.31 2.31 0.00 7 N 9.38 5.27 0.00 3.16 2.87 0.00 0.00 6.40 8.44 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 8 R 9.03 4.30 0.00 2.11 1.87 0.00 3.32 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 9 L 8.89 5.05 0.00 1.68 1.62 1.06 0.94 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 10 T 8.85 4.92 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 0.89 0.00 0.00 11 L 8.81 5.41 0.00 1.62 1.68 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.65 4.48 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 1.27 0.00 0.00 13 K 8.73 4.04 0.00 1.79 1.69 0.00 1.96 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.51 7.81 14 G 10.29 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 15 T 7.77 4.43 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 1.25 0.00 0.00 16 A 8.15 4.02 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.23 3.79 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 18 D 8.03 4.44 0.00 2.73 2.74 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 19 I 7.84 3.99 2.09 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 1.63 0.94 1.20 0.00 0.00 20 I 8.46 4.04 2.15 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 1.60 1.44 1.11 0.00 0.00 21 E 8.39 4.24 0.00 2.22 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 2.34 2.48 0.00 22 R 7.94 3.97 0.00 1.75 1.67 0.00 3.03 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 23 F 8.04 4.43 0.00 3.23 3.12 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 24 Y 7.91 4.50 0.00 3.20 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 25 T 7.32 4.43 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 1.07 0.00 0.00 26 R 8.23 4.29 0.00 2.17 1.94 0.00 2.96 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 H 8.75 4.77 0.00 3.12 3.33 0.00 5.87 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 28 G 8.01 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 29 I 7.90 3.55 1.68 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.57 0.20 0.00 0.00 30 E 7.89 3.99 0.00 1.93 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 0.00 2.30 2.36 0.00 31 T 7.53 4.13 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 1.26 0.00 0.00 32 L 7.90 4.26 0.00 2.10 1.91 1.05 1.05 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 33 E 9.15 4.04 0.00 2.03 2.07 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 2.37 2.38 0.00 34 G 8.24 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 35 F 7.97 3.99 0.00 2.53 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 36 D 8.83 4.24 0.00 2.40 2.34 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 37 G 4.00 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 38 M 7.17 5.06 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 39 F 9.17 4.86 0.00 2.86 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 40 V 8.56 4.83 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 0.55 0.00 0.00 0.50 0.00 0.00 41 T 8.99 4.79 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 1.17 0.00 0.00 42 Q 8.35 5.02 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 43 T 8.60 4.12 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 1.22 0.00 0.00 44 L 8.50 4.37 0.00 1.63 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.60 3.77 0.00 2.13 2.07 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 2.20 2.32 0.00 46 Q 8.16 4.63 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 47 E 8.74 4.46 0.00 1.90 1.93 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 2.21 2.22 0.00 48 D 7.92 4.20 0.00 2.47 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 0.00 0.00 0.00 49 F 7.62 5.05 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.17 5.12 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 5.05 0.00 2.03 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 2.28 2.30 0.00 52 V 8.80 5.00 2.12 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 1.01 0.00 0.00 0.98 0.00 0.00 53 K 8.91 5.00 0.00 1.71 1.68 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.38 7.81 54 I 8.46 4.55 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.14 0.99 0.00 0.00 55 L 9.05 5.24 0.00 1.72 1.66 0.82 0.40 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 56 T 9.42 4.87 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 1.30 0.00 0.00 57 V 8.24 4.67 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 0.81 0.00 0.00 0.90 0.00 0.00 58 W 9.66 5.34 0.00 3.56 3.27 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 59 K 9.68 4.28 0.00 1.79 2.07 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.45 7.81 60 S 8.01 4.65 0.00 3.96 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 61 K 8.15 2.00 0.00 1.07 1.52 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.22 1.12 7.81 62 Q 7.78 3.78 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 63 A 7.64 4.02 1.58 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 64 F 7.52 2.47 0.00 2.05 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 65 T 7.42 3.35 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 1.23 0.00 0.00 66 D 8.23 4.35 0.00 2.86 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 67 W 7.71 4.29 0.00 3.27 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 68 L 6.87 2.44 0.00 1.23 1.00 -0.43 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.03 4.17 0.00 1.74 1.69 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.30 7.81 70 S 7.15 4.50 0.00 4.13 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 71 D 8.56 4.47 0.00 2.78 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 72 V 7.87 3.79 2.34 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 1.01 0.00 0.00 1.27 0.00 0.00 73 F 8.06 4.04 0.00 2.42 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 74 K 7.63 3.88 0.00 1.96 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.77 7.81 75 A 7.82 4.09 1.37 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 76 A 7.47 3.58 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 77 H 7.60 4.57 0.00 2.60 3.07 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.07 4.16 0.00 1.62 1.66 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.62 7.81 *89 S 8.51 4.49 0.00 3.86 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 90 P 0.00 4.58 0.00 2.20 2.30 0.00 3.76 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 2.10 2.03 0.00 91 I 7.65 4.59 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.94 0.00 0.00 92 I 8.77 4.11 1.81 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 1.31 0.48 0.80 0.00 0.00 93 N 7.00 4.48 0.00 2.88 2.86 0.00 0.00 6.35 6.84 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 94 N 8.82 5.59 0.00 2.76 2.83 0.00 0.00 5.76 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 95 K 8.85 4.71 0.00 1.86 1.66 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.37 7.81 96 V 8.53 4.92 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 1.10 0.00 0.00 1.12 0.00 0.00 97 I 8.82 4.73 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 0.34 0.00 0.00 98 T 7.89 4.79 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 1.11 0.00 0.00 99 Y 8.14 4.73 0.00 2.73 2.74 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 0.00 100 D 8.64 5.12 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.09 1.94 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 1.13 0.49 0.97 0.00 0.00 102 G 8.88 3.83 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 0.00 0.00 0.00 103 Y 7.54 4.62 0.00 2.94 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 0.00 104 S 7.30 4.42 0.00 3.85 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 0.00 105 Y 8.17 4.14 0.00 2.83 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 0.00 106 M 7.91 4.35 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 107 K 8.63 4.11 0.00 1.96 1.81 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.65 7.81 * Residues marked with a * may have inaccurate shift predictions.