NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4431 8.1844 120.6398 55.0254 43.1441 175.2036 8 H 4.8012 8.4166 118.6638 54.2001 32.6423 171.2249 9 K 4.6097 9.2595 125.8217 56.0891 33.9249 175.6103 10 E 4.8453 8.9500 121.4602 53.9965 33.9208 173.6355 11 P 4.9442 0.0000 0.0000 63.0920 32.3176 175.0948 12 A 4.8915 8.3569 122.6064 51.4388 23.1512 175.6722 13 T 4.5913 8.6026 115.0312 61.3374 72.1765 173.9060 14 L 4.1541 8.7714 128.8650 55.9628 42.1889 175.7691 15 I 4.3344 8.4285 126.6678 62.3279 38.8606 176.4839 16 K 4.1753 7.6146 117.9482 55.3782 34.8714 174.0725 17 A 4.3237 8.6877 129.9745 51.9666 19.4163 176.4910 18 I 4.1933 8.4795 124.2253 62.8710 37.4120 175.0718 19 D 4.6729 7.4092 117.0230 52.7470 41.6099 175.2347 20 G 3.9335 8.9726 107.0891 48.2920 0.0000 173.6971 21 D 5.0202 7.9619 113.6101 52.9950 41.1253 175.8867 22 T 5.6932 8.1065 115.6019 60.7546 73.2400 172.9875 *24 K 4.7322 8.3860 121.7413 56.5868 33.8807 174.9438 25 L 5.2453 9.2746 123.6856 53.1366 46.6455 175.3134 26 M 4.8011 9.3037 122.4449 54.8752 33.7096 174.2130 27 Y 4.9921 9.0995 128.4291 55.9568 41.9246 175.6616 28 K 3.8559 9.1408 126.6515 57.5919 29.5066 175.5956 29 G 3.9397 8.4574 102.0883 46.2950 0.0000 173.7159 30 Q 4.6444 7.8719 120.0930 53.2808 32.5171 172.1269 31 P 5.2257 0.0000 0.0000 63.1333 32.4600 175.3325 32 M 4.8421 9.1526 119.1934 54.5247 35.0501 173.4220 33 T 4.7462 8.4645 114.9186 61.5353 69.5445 173.2647 34 F 5.1272 8.8620 125.4258 55.6176 42.7999 174.0170 35 R 5.0843 9.1148 121.8835 54.2088 32.9766 174.6340 36 L 4.3665 8.6245 127.0178 54.8098 42.4340 177.2713 37 L 4.0079 8.7671 124.1000 55.3346 42.9922 177.5611 38 L 4.1105 8.7321 118.9388 54.7480 39.5457 173.9952 39 V 5.0103 7.3746 109.2680 60.0567 36.6316 174.7445 40 D 4.8502 8.9903 121.4541 53.4974 43.7562 174.4762 41 T 4.7349 8.5773 116.5889 60.0257 70.2712 173.3326 42 P 4.5199 0.0000 0.0000 62.4297 32.2202 176.1380 43 E 4.2239 9.1906 122.4936 56.5773 30.0586 177.4354 44 T 4.6615 8.2838 111.3981 60.8649 70.7382 174.2062 45 K 4.2897 8.3113 120.1767 58.2208 34.1515 176.7273 46 H 4.2377 8.5539 119.6646 55.2841 29.9881 174.1006 47 P 4.4219 0.0000 0.0000 65.5732 31.0088 178.4525 48 K 4.1901 8.3868 117.1512 58.5497 32.1691 177.7269 49 K 4.4644 7.4323 117.1949 55.6085 34.1371 177.4212 50 G 3.7441 8.4741 108.1883 44.3893 0.0000 172.7956 51 V 4.1162 8.0681 119.7104 61.9906 31.4011 176.4445 52 E 4.2751 9.0371 128.6189 55.4366 30.9803 176.5925 53 K 3.8332 8.3571 123.5799 58.5216 32.4532 176.6126 54 Y 4.6388 8.1541 123.4019 59.4543 36.1253 171.0858 55 G 3.6756 8.3091 107.5652 47.6025 0.0000 174.0427 56 P 4.2985 0.0000 0.0000 65.0459 31.3623 178.6086 57 E 4.0316 8.2168 116.7077 59.3495 29.4916 179.1134 58 A 4.0270 8.4999 121.2368 55.2411 18.1900 179.8437 59 S 4.1798 8.3206 113.5018 61.7713 62.9133 176.8384 60 A 4.1030 8.2072 123.4389 54.9584 18.1233 179.4297 61 F 3.9727 8.3669 119.1365 61.7961 39.0106 177.4496 62 T 3.9186 8.2099 115.2821 66.4611 68.1972 176.3235 63 K 3.8810 8.2648 121.6344 59.5945 32.3477 178.7383 64 K 3.8493 8.0481 118.5160 59.6549 31.7544 178.9467 65 M 3.8636 7.5523 116.8617 58.8613 32.1212 178.4014 66 V 3.8040 8.2064 112.7453 64.1183 31.5659 178.4041 67 E 4.1373 8.4294 117.9256 58.4408 29.4205 177.8756 68 N 4.6682 7.6747 113.5024 52.1125 39.4575 175.1442 69 A 4.4286 6.9617 123.1039 51.8988 19.2040 178.1595 70 K 4.2214 9.0700 121.3286 58.3536 32.8508 178.0732 71 K 4.7109 8.5998 117.5604 54.5570 36.4825 175.6973 72 I 5.0772 8.4118 124.3816 59.6172 40.4978 174.3542 73 E 5.1381 9.0761 124.4478 54.7213 34.0904 174.9072 74 V 4.6813 8.8606 115.9137 59.4881 35.3333 174.6701 75 E 4.9649 8.9400 124.4046 54.4619 32.2249 174.9573 76 F 4.6787 8.8411 125.7357 57.6239 40.1792 175.6472 77 D 4.9788 8.5068 120.7184 53.2586 43.2156 175.7799 78 K 4.3686 8.8116 117.2004 57.8706 33.9035 177.9725 79 G 4.1996 8.3749 111.9237 44.7555 0.0000 173.6214 80 Q 4.0723 8.6210 121.6987 56.6304 29.2814 176.9263 81 R 4.4469 8.4062 118.1517 56.8171 30.9511 176.0493 82 T 5.5366 7.5633 106.2604 59.2291 71.9427 173.0621 83 D 4.7752 8.1828 122.5624 51.4566 41.7155 177.0289 84 K 3.7181 8.3323 117.2702 59.7465 32.3002 177.0591 85 Y 4.2973 7.9637 115.2526 57.5495 38.0266 175.8870 86 G 3.8742 8.2307 108.0420 45.9554 0.0000 173.7762 87 R 4.3894 8.3577 119.1966 54.7570 31.8804 176.3869 88 G 3.2621 8.3157 111.1696 46.0469 0.0000 172.4437 89 L 5.3305 9.0154 124.8770 53.2680 42.9961 175.5456 90 A 4.5124 8.4411 124.8233 51.0917 23.7412 173.7233 91 Y 4.7187 8.7491 117.0137 56.7675 39.9470 175.3954 92 I 4.7996 8.4253 124.9142 59.6729 40.1515 174.1525 93 Y 5.1479 9.1159 124.0838 56.0653 41.0708 174.6245 94 A 4.7748 9.1510 125.6726 50.1141 21.3874 176.1564 95 D 4.3012 9.9947 124.8442 56.2178 38.9686 175.6117 96 G 3.9417 8.4689 104.5148 45.4696 0.0000 173.5798 97 K 4.5172 7.9668 120.4132 54.4860 33.9112 175.2834 98 M 4.0619 8.5660 123.4759 55.0360 32.8997 176.6493 99 V 3.6187 8.6282 127.7888 66.2066 31.5922 177.3872 100 N 4.2857 8.1304 115.6186 56.5116 38.4341 176.8061 101 E 3.8776 8.1016 119.5374 59.2344 29.7757 178.0950 102 A 4.0749 8.0624 120.8577 55.4804 18.3117 179.6948 103 L 3.6254 7.9899 117.0795 57.8811 41.7510 179.9289 104 V 3.7323 7.5259 118.1321 66.0445 31.2496 177.9478 105 R 3.8963 8.3441 117.7001 59.3870 29.9981 177.7836 106 Q 4.1859 7.6231 115.3174 55.6523 29.0887 176.3395 107 G 3.8303 8.0540 108.7772 46.6273 0.0000 174.5586 108 L 4.5425 7.7044 116.9612 54.0110 42.2751 176.2439 109 A 4.7497 7.4728 118.9711 50.8071 22.2520 175.9015 110 K 4.9137 8.3751 118.2466 54.2515 35.8731 175.9744 111 V 4.2941 9.1055 124.0158 63.1321 32.0694 175.0529 112 A 4.3490 8.7309 128.4687 50.2069 23.4025 174.6145 113 Y 3.2328 7.3451 113.5658 59.0115 35.2283 174.0374 114 V 3.7572 7.1249 118.3914 62.0828 31.0226 173.1270 115 Y 4.9173 7.9772 124.1200 55.5620 39.4375 176.1366 116 K 4.6198 8.6162 124.5556 55.9518 33.7121 174.7916 117 P 4.6628 0.0000 0.0000 63.4788 31.6601 177.3069 118 N 4.9440 7.8571 118.5491 52.2522 36.9052 175.2731 119 N 5.1496 7.7403 112.7154 53.0948 38.8943 177.3927 120 T 3.8306 8.4706 118.4888 67.6912 68.7538 174.7946 121 H 4.8670 8.0713 115.7581 55.6961 29.1998 176.3032 122 E 3.9662 8.5891 123.4929 59.8453 29.3065 179.1207 123 Q 3.9878 8.0663 117.3529 59.0525 28.6791 178.0155 124 H 4.1119 8.1951 118.7933 59.4162 29.9949 177.2361 125 L 3.9919 7.9696 120.7242 57.7895 41.4226 179.7610 126 R 3.9454 8.2088 118.5674 58.9001 30.0305 179.1615 127 K 3.9719 8.2093 118.8562 60.0056 32.5036 179.5791 128 S 4.0625 7.7941 116.3443 61.2750 62.6959 176.1420 129 E 3.9455 8.3351 121.8900 59.1770 29.2988 178.7187 130 A 3.7093 7.9811 120.8534 55.0702 18.3460 179.4214 131 Q 3.8310 7.9062 117.3999 59.0992 29.0319 178.3038 132 A 3.9810 7.9532 121.8689 55.0465 18.4685 179.7751 133 K 3.5257 7.7536 117.1037 59.2759 31.7885 179.2280 134 K 3.7833 7.8817 118.9612 59.5510 32.1213 177.6495 135 E 4.3007 8.0467 115.1646 55.1187 30.1479 176.2412 136 K 4.2008 8.3109 118.1150 56.0595 30.7118 174.9567 137 L 4.3822 8.3306 118.0856 55.7177 44.0656 178.9495 138 N 3.4816 9.3642 117.9546 54.1771 38.5772 176.1399 139 I 3.0522 5.4200 125.2278 64.3988 37.6877 176.9866 140 W 4.8720 8.0257 118.3391 56.4574 29.3041 176.6347 141 S 4.9490 8.0672 119.3092 58.0400 62.5561 173.9633 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 7 L 8.18 4.44 0.00 1.87 1.83 1.07 0.81 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 8 H 8.42 4.80 0.00 3.22 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.26 4.61 0.00 1.51 1.58 0.00 1.67 0.00 0.00 0.92 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.22 7.81 10 E 8.95 4.85 0.00 2.09 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 2.45 2.48 0.00 11 P 0.00 4.94 0.00 1.97 2.00 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 12 A 8.36 4.89 1.19 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 0.00 0.00 13 T 8.60 4.59 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 14 L 8.77 4.15 0.00 1.65 1.58 0.92 1.08 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 15 I 8.43 4.33 1.98 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 1.15 1.00 0.94 0.00 0.00 16 K 7.61 4.18 0.00 1.67 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.40 7.81 17 A 8.69 4.32 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 18 I 8.48 4.19 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.91 0.00 0.00 19 D 7.41 4.67 0.00 2.80 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 20 G 8.97 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 21 D 7.96 5.02 0.00 2.77 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 22 T 8.11 5.69 4.36 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 1.27 0.00 0.00 *24 K 8.39 4.73 0.00 1.79 1.84 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.53 7.81 25 L 9.27 5.25 0.00 1.61 1.50 0.30 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.30 4.80 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.10 4.99 0.00 3.23 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 28 K 9.14 3.86 0.00 1.39 1.67 0.00 1.20 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.99 1.25 7.81 29 G 8.46 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 0.00 0.00 0.00 30 Q 7.87 4.64 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 31 P 0.00 5.23 0.00 2.17 2.09 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.15 4.84 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 33 T 8.46 4.75 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 1.22 0.00 0.00 34 F 8.86 5.13 0.00 3.01 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 35 R 9.11 5.08 0.00 1.82 1.72 0.00 3.32 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 36 L 8.62 4.37 0.00 1.60 1.60 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.77 4.01 0.00 0.94 1.26 0.27 0.74 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 38 L 8.73 4.11 0.00 2.00 1.81 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.37 5.01 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 0.79 0.00 0.00 0.97 0.00 0.00 40 D 8.99 4.85 0.00 2.89 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 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 1.19 0.00 0.00 42 P 0.00 4.52 0.00 2.18 2.03 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 43 E 9.19 4.22 0.00 2.04 1.81 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 2.32 2.30 0.00 44 T 8.28 4.66 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 1.22 0.00 0.00 45 K 8.31 4.29 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.32 7.81 46 H 8.55 4.24 0.00 3.18 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.42 0.00 2.16 2.07 0.00 3.38 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 48 K 8.39 4.19 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.51 7.81 49 K 7.43 4.46 0.00 1.93 1.81 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 50 G 8.47 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 51 V 8.07 4.12 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 0.79 0.00 0.00 0.92 0.00 0.00 52 E 9.04 4.28 0.00 1.96 1.83 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 2.32 2.40 0.00 53 K 8.36 3.83 0.00 1.62 1.68 0.00 1.43 0.00 0.00 1.25 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 0.48 7.81 54 Y 8.15 4.64 0.00 3.17 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 55 G 8.31 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 56 P 0.00 4.30 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.22 4.03 0.00 2.38 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 0.00 2.55 2.51 0.00 58 A 8.50 4.03 1.38 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 59 S 8.32 4.18 0.00 4.06 3.95 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 60 A 8.21 4.10 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 61 F 8.37 3.97 0.00 3.22 3.22 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 62 T 8.21 3.92 4.43 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 0.00 0.00 1.29 0.00 0.00 63 K 8.26 3.88 0.00 1.96 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 64 K 8.05 3.85 0.00 2.00 1.69 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 M 7.55 3.86 0.00 2.02 1.82 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 2.51 2.53 0.00 66 V 8.21 3.80 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 0.89 0.00 0.00 1.01 0.00 0.00 67 E 8.43 4.14 0.00 1.98 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 0.00 2.33 2.48 0.00 68 N 7.67 4.67 0.00 2.79 2.81 0.00 0.00 6.95 6.60 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 69 A 6.96 4.43 1.34 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 70 K 9.07 4.22 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.60 4.71 0.00 1.65 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.41 5.08 1.85 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 1.33 1.24 0.84 0.00 0.00 73 E 9.08 5.14 0.00 1.91 1.75 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 2.19 2.25 0.00 74 V 8.86 4.68 1.35 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 0.01 0.00 0.00 0.55 0.00 0.00 75 E 8.94 4.96 0.00 2.20 2.29 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 2.47 2.57 0.00 76 F 8.84 4.68 0.00 3.10 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 77 D 8.51 4.98 0.00 2.70 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 78 K 8.81 4.37 0.00 1.92 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.31 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.43 7.81 79 G 8.37 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 0.00 0.00 0.00 0.00 80 Q 8.62 4.07 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 81 R 8.41 4.45 0.00 1.59 1.34 0.00 2.82 0.00 0.00 2.69 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 82 T 7.56 5.54 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 1.11 0.00 0.00 83 D 8.18 4.78 0.00 2.92 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 84 K 8.33 3.72 0.00 1.52 1.76 0.00 1.07 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 0.32 7.81 85 Y 7.96 4.30 0.00 3.11 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 86 G 8.23 3.87 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 87 R 8.36 4.39 0.00 2.03 1.79 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 88 G 8.32 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 0.00 0.00 0.00 89 L 9.02 5.33 0.00 1.54 1.64 0.96 0.69 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 90 A 8.44 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.75 4.72 0.00 3.11 2.66 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 92 I 8.43 4.80 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.86 0.00 0.00 93 Y 9.12 5.15 0.00 2.89 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 94 A 9.15 4.77 1.19 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 0.00 0.00 95 D 9.99 4.30 0.00 2.77 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 96 G 8.47 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 0.00 0.00 0.00 97 K 7.97 4.52 0.00 2.01 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.57 4.06 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.42 0.00 99 V 8.63 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 100 N 8.13 4.29 0.00 2.91 2.94 0.00 0.00 6.97 8.03 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 0.00 101 E 8.10 3.88 0.00 2.02 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 2.32 2.36 0.00 102 A 8.06 4.07 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 0.00 0.00 0.00 0.00 0.00 103 L 7.99 3.63 0.00 2.06 1.69 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.53 3.73 2.21 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 1.10 0.00 0.00 0.99 0.00 0.00 105 R 8.34 3.90 0.00 2.02 2.11 0.00 3.34 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.62 4.19 0.00 1.67 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.29 0.00 0.00 0.00 0.00 0.00 2.34 1.63 0.00 107 G 8.05 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 0.00 108 L 7.70 4.54 0.00 1.35 1.52 0.46 0.50 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 0.00 109 A 7.47 4.75 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 0.00 110 K 8.38 4.91 0.00 1.69 1.77 0.00 1.55 0.00 0.00 1.25 0.00 0.00 2.62 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.14 7.81 111 V 9.11 4.29 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 8.73 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.35 3.23 0.00 2.97 2.59 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 0.00 0.00 0.00 0.00 114 V 7.12 3.76 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 0.81 0.00 0.00 0.94 0.00 0.00 115 Y 7.98 4.92 0.00 3.10 2.76 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 0.00 0.00 0.00 0.00 116 K 8.62 4.62 0.00 1.92 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.42 7.81 117 P 0.00 4.66 0.00 2.25 2.22 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 118 N 7.86 4.94 0.00 3.06 2.89 0.00 0.00 6.99 7.90 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 0.00 119 N 7.74 5.15 0.00 3.07 3.01 0.00 0.00 6.13 7.27 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 0.00 120 T 8.47 3.83 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 1.11 0.00 0.00 121 H 8.07 4.87 0.00 2.91 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.59 3.97 0.00 2.17 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 2.33 2.40 0.00 123 Q 8.07 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.20 4.11 0.00 3.22 3.46 0.00 5.87 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 0.00 125 L 7.97 3.99 0.00 1.93 1.73 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.21 3.95 0.00 1.98 1.94 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 127 K 8.21 3.97 0.00 1.94 2.16 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.41 7.81 128 S 7.79 4.06 0.00 3.93 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 0.00 129 E 8.34 3.95 0.00 2.13 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 0.00 2.09 2.53 0.00 130 A 7.98 3.71 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 0.00 131 Q 7.91 3.83 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 132 A 7.95 3.98 1.54 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 0.00 0.00 133 K 7.75 3.53 0.00 1.45 1.29 0.00 0.74 0.00 0.00 0.99 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.88 3.78 0.00 1.91 1.98 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.05 4.30 0.00 1.97 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 2.30 2.49 0.00 136 K 8.31 4.20 0.00 1.89 1.90 0.00 1.72 0.00 0.00 2.05 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.51 7.81 137 L 8.33 4.38 0.00 1.75 1.69 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.36 3.48 0.00 2.48 1.42 0.00 0.00 7.03 7.41 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 0.00 139 I 5.42 3.05 1.04 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.14 -0.66 0.00 0.00 140 W 8.03 4.87 0.00 3.48 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 0.00 141 S 8.07 4.95 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.