NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4904 8.2493 123.5828 52.4970 20.0149 176.2776 2 T 4.5997 8.5707 111.0519 61.0866 71.1748 172.3589 3 K 5.2779 8.3468 123.0238 54.7757 37.2491 176.1494 4 A 5.4541 9.2796 124.4704 50.4627 23.2693 175.0925 5 V 5.0082 8.7048 117.2748 60.6465 35.5049 173.6883 6 C 4.9214 9.1182 122.0378 57.9614 35.2673 172.6159 7 V 4.5574 8.4455 126.1430 61.5337 33.0094 174.2408 8 L 4.7885 8.9855 129.4709 54.0343 43.0556 176.2705 9 K 4.9905 9.1396 122.0363 55.4713 37.1880 176.1629 10 G 4.4549 7.9870 108.4877 44.8003 0.0000 172.1231 11 D 4.4989 8.8353 118.0077 56.1394 41.6638 177.1937 12 G 4.2838 7.6791 109.2163 44.4511 0.0000 171.8501 13 P 4.5182 0.0000 0.0000 62.9340 32.1107 176.0556 14 V 4.2156 7.5330 120.6986 63.0026 32.0148 174.9990 15 Q 5.0599 8.1913 124.8520 55.1803 32.4990 173.6046 16 G 4.2854 8.0328 106.1340 46.1338 0.0000 171.8860 17 I 5.1958 8.0305 119.7932 59.3770 40.8594 174.9537 18 I 4.6263 8.7945 127.5906 59.4763 40.3849 174.3797 19 N 4.9636 8.5623 124.0667 51.4353 41.1299 173.9254 20 F 5.2925 8.9178 120.1516 55.7134 43.0751 173.6867 21 E 5.1455 9.7682 123.7343 54.8068 32.5775 174.2151 22 Q 4.6163 9.6386 127.5597 54.1522 29.5171 175.3084 23 K 4.1978 8.7561 123.6759 57.7058 32.9691 177.2537 24 E 4.7071 7.5185 115.5996 53.8749 31.6871 175.6809 25 S 4.2471 8.6856 119.6021 60.3449 63.2877 174.1257 26 N 4.1942 8.9386 119.9834 53.8407 35.9878 174.3736 27 G 4.0195 7.8877 108.2817 43.3949 0.0000 171.9753 28 P 4.5891 0.0000 0.0000 62.7327 32.2143 176.4068 29 V 4.6306 9.0432 123.1756 61.2982 33.7216 174.6589 30 K 4.9449 9.2405 128.2626 55.7463 33.9048 175.8940 31 V 4.8516 9.3327 125.1291 60.7928 34.2746 174.2540 32 W 5.4196 8.4193 123.8369 55.0247 32.0152 175.6284 33 G 3.9019 7.2313 106.2123 45.9322 0.0000 171.0556 34 S 5.1220 7.8220 113.1753 56.7159 66.5049 174.1761 35 I 5.0817 8.8219 126.0032 59.3549 40.8777 174.6535 36 K 4.8225 9.2924 125.3969 55.4401 36.2911 176.8548 37 G 3.7340 8.9326 106.4915 45.6153 0.0000 173.2973 38 L 4.5296 7.6111 119.6295 52.7718 43.2564 176.4059 39 T 4.1712 8.1631 111.5062 61.0379 69.5157 174.0663 40 E 4.0891 8.7329 125.0279 56.9534 30.4782 175.7121 41 G 3.7392 7.9866 111.6348 44.1804 0.0000 172.0522 42 L 4.9061 8.1394 119.9755 54.5132 43.0935 176.4262 43 H 4.9916 9.2891 119.6500 53.6555 32.9978 173.3101 44 G 4.0003 9.1333 111.1168 46.7208 0.0000 172.4683 45 F 5.5750 9.1818 124.9659 56.8312 42.2438 172.9332 46 H 5.4271 8.9675 122.8543 53.9043 33.4742 172.8877 47 V 4.3923 8.8915 122.2825 62.7284 32.7724 174.9363 48 H 5.2415 9.4760 125.7172 54.0697 31.1730 175.5258 49 E 3.6486 8.9066 121.9491 58.6413 30.2273 177.1022 50 F 4.9533 8.2542 118.2828 54.7471 41.6652 177.0231 51 G 4.3424 8.3640 113.2564 44.3061 0.0000 174.3674 52 D 4.7221 7.8559 117.3928 52.7743 42.4132 174.1705 53 N 5.0790 8.5423 124.5643 53.4494 39.1414 175.6954 54 T 3.9745 8.5329 109.7047 63.5015 68.9004 174.2576 55 A 4.7169 7.9611 125.7114 51.5261 19.9538 176.4530 56 G 3.9613 7.9962 110.6518 48.1144 0.0000 177.1576 57 C 4.4805 8.6208 117.1764 58.9951 40.6344 175.5586 58 T 3.7434 7.5552 109.7951 63.6537 68.3027 175.1841 59 S 4.6021 7.7450 115.1453 57.9840 63.4823 175.4675 60 A 4.0533 7.4137 124.2925 52.7561 18.3754 179.0364 61 G 4.4553 7.5461 104.4872 43.6845 0.0000 171.2254 62 P 4.6503 0.0000 0.0000 62.0667 33.1417 175.1437 63 H 3.8318 8.7694 119.6165 56.6898 30.2071 174.2192 64 F 4.2973 9.2547 128.8387 58.6592 40.1673 174.5392 65 N 4.4910 7.9530 122.9330 51.8415 40.1295 170.5287 66 P 4.2890 0.0000 0.0000 62.2872 32.2568 176.9563 67 L 4.2302 8.3232 123.5851 56.1770 41.6098 177.8637 68 S 3.4246 8.0314 112.5306 60.5041 62.2427 172.8674 *79 R 4.0366 7.6861 117.7440 55.8246 30.8487 174.6414 80 H 4.5070 8.4776 121.4375 55.1390 29.4666 176.2435 81 V 3.4268 8.5754 123.2158 66.2281 31.3636 177.2587 82 G 3.8609 8.3520 106.4137 46.0551 0.0000 172.6233 83 D 4.9809 7.9104 120.4601 53.7392 39.9842 175.0612 84 L 4.6185 8.5666 125.6413 54.2941 42.7659 179.1656 85 G 4.0481 8.9530 107.0803 45.8272 0.0000 172.5767 86 N 5.6636 8.6401 119.4755 51.6343 41.7112 174.6555 87 V 4.3158 8.7740 115.4760 60.1938 34.7493 174.9455 88 T 4.9908 8.2252 118.8865 61.8893 71.0509 173.1799 89 A 4.7199 9.1081 129.7059 51.0075 20.8731 177.1904 90 D 4.8714 8.6015 121.5306 52.0579 41.9204 177.0260 91 K 3.8800 8.6090 117.1798 59.8463 31.9952 177.5485 92 D 4.5429 8.2846 115.8463 54.0613 41.2676 176.8728 93 G 4.0297 8.5291 108.4100 44.7238 0.0000 172.6044 94 V 4.7600 8.1181 119.7564 60.7771 33.7175 174.3809 95 A 5.2058 9.1955 130.7701 49.6255 20.7789 175.0558 96 D 4.9198 8.6191 122.6917 54.1310 42.2535 176.3380 97 V 4.2869 8.8011 123.9158 61.1189 34.1892 174.6823 98 S 4.8878 8.5651 122.7343 57.6612 64.1052 172.7155 99 I 4.8227 9.4530 128.1198 59.2713 41.4271 174.1362 100 E 5.1857 8.8630 125.2084 54.5185 32.0187 174.4831 101 D 5.0398 9.4632 126.5086 52.4988 44.5486 175.7670 102 S 4.7213 8.9545 118.4421 58.2280 63.8500 174.4761 103 V 4.0879 8.0065 120.9369 64.8149 32.2324 176.2738 104 I 4.1108 7.9857 111.5704 61.1142 38.2882 174.4697 105 S 4.6121 8.1705 113.7219 57.7252 65.0730 173.9562 106 L 4.3965 8.9251 122.8878 54.2035 41.4164 176.2607 107 S 4.4694 7.9133 112.5285 58.1485 66.4764 175.0592 108 G 3.8753 8.5162 107.9339 45.1423 0.0000 173.7795 109 D 4.4395 8.7866 117.4836 57.2766 40.9924 176.8415 110 H 5.0407 8.0305 113.9518 55.4596 28.9922 174.2961 111 C 4.3839 8.0399 121.0755 59.8189 31.7912 173.4886 112 I 3.9631 8.0789 118.7098 60.2048 38.1686 175.5776 113 I 3.6897 7.3751 122.9809 63.0875 37.4868 176.2994 114 G 3.8210 9.4146 113.4598 45.4552 0.0000 173.0536 115 R 4.9320 7.4372 119.4328 54.8716 33.6964 174.5314 116 T 5.0130 8.0494 115.5821 62.1550 71.4185 173.5927 117 L 4.7779 8.5657 128.4744 54.1204 44.0257 175.4039 118 V 4.9952 8.8831 125.7310 60.9943 35.2607 174.1479 119 V 5.0444 8.5861 126.8295 60.4741 33.6456 174.8945 120 H 5.1843 9.0741 122.0778 54.2621 30.3359 174.9733 121 E 4.2033 9.1945 121.8697 58.9125 30.0445 176.4946 122 K 4.7918 8.6030 117.1496 54.0247 36.5801 175.7476 123 A 4.6222 8.3739 123.5468 51.7300 19.3044 177.5388 124 V 3.8274 8.0381 113.7872 61.0906 31.6345 176.9307 *139 N 4.6444 8.6507 120.5823 52.8893 40.4572 175.7380 140 A 4.0424 7.8951 120.4674 52.2837 19.4691 178.6643 141 G 3.8208 7.3551 104.9274 45.3193 0.0000 173.7459 142 S 4.3672 8.5878 115.6088 58.5646 64.7345 174.5164 143 R 4.4115 8.3460 120.3350 55.1998 29.7736 176.4114 144 L 4.2837 8.8602 126.0151 57.4848 42.9798 177.2677 145 A 5.0726 7.7375 117.9141 51.3455 22.7986 173.9934 146 C 5.5751 8.6228 113.5590 55.9092 46.3477 172.7639 147 G 4.7006 8.0778 103.8856 46.0841 0.0000 172.6273 148 V 4.4331 8.2895 121.4776 62.3688 32.8292 175.5863 149 I 4.1484 8.9033 129.5196 60.9089 37.9309 175.3251 150 G 4.3827 8.8487 114.8810 43.9412 0.0000 172.1382 151 I 4.2289 8.2928 121.7212 61.3518 36.9746 175.8282 152 A 4.6236 8.7674 128.6003 52.5655 21.5862 176.2926 153 Q 4.0840 7.7710 120.9018 56.7792 29.0407 173.5956 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 1 A 8.25 4.49 1.26 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 0.00 0.00 2 T 8.57 4.60 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 1.24 0.00 0.00 3 K 8.35 5.28 0.00 1.79 1.72 0.00 1.92 0.00 0.00 2.08 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.51 7.81 4 A 9.28 5.45 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 5 V 8.70 5.01 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 0.75 0.00 0.00 0.95 0.00 0.00 6 C 9.12 4.92 0.00 3.12 2.90 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 7 V 8.45 4.56 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.99 4.79 0.00 1.70 1.59 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.14 4.99 0.00 1.64 1.62 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.99 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.50 0.00 2.68 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 12 G 7.68 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 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 14 V 7.53 4.22 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 0.78 0.00 0.00 0.93 0.00 0.00 15 Q 8.19 5.06 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 16 G 8.03 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 0.00 0.00 0.00 0.00 17 I 8.03 5.20 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.50 0.84 0.00 0.00 18 I 8.79 4.63 1.85 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 1.26 1.20 0.43 0.00 0.00 19 N 8.56 4.96 0.00 1.44 1.42 0.00 0.00 6.43 8.76 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 20 F 8.92 5.29 0.00 2.80 2.90 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 21 E 9.77 5.15 0.00 2.43 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 2.33 2.55 0.00 22 Q 9.64 4.62 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 23 K 8.76 4.20 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.44 7.81 24 E 7.52 4.71 0.00 2.09 1.84 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 2.23 2.29 0.00 25 S 8.69 4.25 0.00 3.87 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 26 N 8.94 4.19 0.00 2.88 2.94 0.00 0.00 6.97 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 27 G 7.89 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 0.00 0.00 0.00 28 P 0.00 4.59 0.00 1.99 2.14 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 9.04 4.63 2.23 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 1.28 0.00 0.00 1.04 0.00 0.00 30 K 9.24 4.94 0.00 2.02 1.93 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.46 7.81 31 V 9.33 4.85 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 0.50 0.00 0.00 1.08 0.00 0.00 32 W 8.42 5.42 0.00 3.48 3.16 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 33 G 7.23 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 34 S 7.82 5.12 0.00 3.85 3.62 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 35 I 8.82 5.08 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.93 0.00 0.00 36 K 9.29 4.82 0.00 1.73 1.86 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.33 7.81 37 G 8.93 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 38 L 7.61 4.53 0.00 1.82 1.44 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.16 4.17 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 1.24 0.00 0.00 40 E 8.73 4.09 0.00 1.95 1.92 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 2.30 2.47 0.00 41 G 7.99 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 42 L 8.14 4.91 0.00 1.50 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.29 4.99 0.00 2.99 3.29 0.00 5.63 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 44 G 9.13 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 45 F 9.18 5.57 0.00 3.01 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 46 H 8.97 5.43 0.00 3.12 2.92 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.89 4.39 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 0.84 0.00 0.00 0.87 0.00 0.00 48 H 9.48 5.24 0.00 3.02 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.91 3.65 0.00 1.83 1.23 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 1.47 1.98 0.00 50 F 8.25 4.95 0.00 3.03 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 51 G 8.36 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 0.00 0.00 0.00 0.00 52 D 7.86 4.72 0.00 2.62 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 53 N 8.54 5.08 0.00 2.70 2.75 0.00 0.00 7.25 7.70 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 54 T 8.53 3.97 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 1.24 0.00 0.00 55 A 7.96 4.72 1.27 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 0.00 0.00 56 G 8.00 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 57 C 8.62 4.48 0.00 2.98 3.09 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 58 T 7.56 3.74 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 1.25 0.00 0.00 59 S 7.74 4.60 0.00 4.14 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 60 A 7.41 4.05 1.42 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 0.00 0.00 61 G 7.55 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 0.00 0.00 0.00 0.00 62 P 0.00 4.65 0.00 2.15 2.25 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 63 H 8.77 3.83 0.00 3.09 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.25 4.30 0.00 3.00 2.97 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 65 N 7.95 4.49 0.00 2.46 2.34 0.00 0.00 7.19 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 66 P 0.00 4.29 0.00 1.92 1.89 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 67 L 8.32 4.23 0.00 1.60 1.64 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.03 3.42 0.00 3.92 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 *79 R 7.69 4.04 0.00 1.79 1.87 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 80 H 8.48 4.51 0.00 2.82 3.09 0.00 5.99 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.58 3.43 1.63 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 0.61 0.00 0.00 0.46 0.00 0.00 82 G 8.35 3.86 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 0.00 0.00 0.00 83 D 7.91 4.98 0.00 2.61 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 84 L 8.57 4.62 0.00 1.95 1.87 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.95 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 86 N 8.64 5.66 0.00 2.61 2.72 0.00 0.00 6.66 7.68 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 87 V 8.77 4.32 1.84 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 -0.03 0.00 0.00 0.80 0.00 0.00 88 T 8.23 4.99 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 1.20 0.00 0.00 89 A 9.11 4.72 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 90 D 8.60 4.87 0.00 2.90 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 91 K 8.61 3.88 0.00 1.76 1.92 0.00 1.75 0.00 0.00 2.10 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 92 D 8.28 4.54 0.00 2.78 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 93 G 8.53 4.03 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 0.00 0.00 0.00 94 V 8.12 4.76 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 0.99 0.00 0.00 0.92 0.00 0.00 95 A 9.20 5.21 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 96 D 8.62 4.92 0.00 2.55 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 97 V 8.80 4.29 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 0.82 0.00 0.00 0.63 0.00 0.00 98 S 8.57 4.89 0.00 3.90 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 99 I 9.45 4.82 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 1.01 0.00 0.00 100 E 8.86 5.19 0.00 1.98 1.84 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 2.22 2.31 0.00 101 D 9.46 5.04 0.00 2.86 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 0.00 102 S 8.95 4.72 0.00 4.03 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 0.00 103 V 8.01 4.09 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 0.88 0.00 0.00 0.96 0.00 0.00 104 I 7.99 4.11 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 1.04 0.00 0.00 105 S 8.17 4.61 0.00 3.87 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 0.00 106 L 8.93 4.40 0.00 1.76 1.63 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.91 4.47 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.52 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 0.00 109 D 8.79 4.44 0.00 2.68 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 0.00 110 H 8.03 5.04 0.00 3.15 3.42 0.00 5.73 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 0.00 111 C 8.04 4.38 0.00 3.18 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 0.00 112 I 8.08 3.96 1.56 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.23 0.92 0.00 0.00 113 I 7.38 3.69 1.78 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 1.23 0.40 0.84 0.00 0.00 114 G 9.41 3.82 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 0.00 0.00 0.00 115 R 7.44 4.93 0.00 1.55 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.00 116 T 8.05 5.01 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 1.24 0.00 0.00 117 L 8.57 4.78 0.00 1.81 1.55 0.54 0.63 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 0.00 118 V 8.88 5.00 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 0.66 0.00 0.00 0.79 0.00 0.00 119 V 8.59 5.04 2.26 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 0.76 0.00 0.00 1.00 0.00 0.00 120 H 9.07 5.18 0.00 3.14 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.19 4.20 0.00 2.00 2.09 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 2.36 2.33 0.00 122 K 8.60 4.79 0.00 1.92 1.66 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81 123 A 8.37 4.62 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 0.00 124 V 8.04 3.83 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 0.79 0.00 0.00 1.01 0.00 0.00 *139 N 8.65 4.64 0.00 2.86 2.90 0.00 0.00 7.05 7.54 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 0.00 140 A 7.90 4.04 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 0.00 141 G 7.36 3.82 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 0.00 0.00 0.00 142 S 8.59 4.37 0.00 3.94 4.03 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 0.00 143 R 8.35 4.41 0.00 1.66 1.83 0.00 3.23 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 144 L 8.86 4.28 0.00 1.69 1.69 0.98 0.57 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 0.00 145 A 7.74 5.07 1.23 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 0.00 0.00 0.00 146 C 8.62 5.58 0.00 2.99 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 0.00 147 G 8.08 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.29 4.43 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 0.81 0.00 0.00 0.92 0.00 0.00 149 I 8.90 4.15 1.80 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.47 0.00 0.00 150 G 8.85 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 0.00 0.00 0.00 0.00 151 I 8.29 4.23 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.77 4.62 1.24 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 0.00 153 Q 7.77 4.08 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.