NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9338 8.2085 109.7434 45.7366 0.0000 175.2866 2 A 4.0875 7.4666 121.6734 50.9684 19.0899 177.9818 *4 K 4.3614 8.9502 122.1892 58.2117 35.1365 175.7284 5 N 4.3378 7.9296 116.2068 56.4163 38.2033 177.4470 6 S 4.0587 8.2376 114.3605 61.4904 62.6162 175.8333 7 F 4.2582 8.3848 122.8349 61.4822 38.9759 176.5209 8 D 4.0618 8.5489 118.7263 57.4855 40.6190 178.6558 9 R 3.8151 7.9432 118.3188 59.8700 30.1027 178.1034 10 L 3.7553 7.8369 119.4433 58.1910 41.7998 178.7268 11 I 3.2268 7.2945 118.9109 64.5340 37.3415 177.5421 12 D 4.4074 8.5033 118.8003 57.6482 40.5127 179.0711 13 G 3.5313 8.1558 105.9393 47.9054 0.0000 175.7210 14 L 3.8446 7.7271 121.2949 56.8997 41.2863 179.5191 15 A 4.5596 8.1843 122.6703 54.8518 18.2036 179.9001 16 K 3.9407 7.8633 115.0681 58.7463 32.1592 178.1919 17 D 4.8428 7.5622 115.6847 54.2269 41.7550 176.5182 18 Y 4.8458 7.3042 114.3232 56.2828 41.1917 176.3276 19 G 3.7735 8.8177 111.9210 45.8642 0.0000 173.3744 *21 P 3.5768 0.0000 0.0000 62.1308 33.5730 177.4279 22 G 3.9249 8.5555 107.5988 44.8448 0.0000 172.8841 23 F 5.0218 8.4826 119.5158 53.9405 38.8710 173.1703 24 P 4.3627 0.0000 0.0000 62.3586 32.1137 175.7327 25 E 4.3097 8.2558 118.3432 55.1413 30.3469 176.6748 26 K 4.4766 8.4163 120.2460 56.5455 30.9164 177.0206 27 K 4.0776 8.4132 124.4472 58.8283 32.8680 177.1952 28 H 4.4674 8.2636 116.5253 55.1228 29.2746 175.0028 29 E 4.1455 8.3432 121.4166 57.2413 30.0061 177.2540 30 H 4.3011 8.7429 119.1006 55.7656 27.3584 174.8685 31 E 4.1800 7.5620 120.2660 56.4180 30.0209 177.2925 32 V 4.3950 8.2145 114.9495 61.4388 35.0734 175.4196 33 Y 5.2135 7.8188 116.1469 56.6887 42.6760 174.2575 34 C 4.9212 8.2611 121.7633 58.4688 34.6834 172.8380 35 F 4.4103 9.1425 125.0469 55.3564 42.0823 173.6481 36 E 4.5834 8.7124 124.8921 54.6210 31.7712 174.8376 37 F 4.5881 9.0198 127.4057 55.4166 38.5964 176.5731 38 K 3.9734 8.5077 123.5561 59.2774 32.5161 179.2710 39 E 4.0409 8.6337 118.0959 59.2853 29.4413 178.8344 40 V 4.4171 7.9713 108.0300 60.3330 32.1423 175.5337 41 S 3.8468 7.8409 114.5807 59.7624 61.1896 171.5788 42 I 5.2309 7.6114 118.9824 59.6325 40.4683 175.2044 43 R 5.1799 9.7225 125.5789 54.4790 33.7573 174.7768 44 I 4.9763 8.7535 123.5584 60.0103 39.7683 174.5202 45 Y 5.3263 9.2592 124.5969 56.3407 41.7084 174.7779 46 Q 5.0506 8.8281 121.2371 54.2775 31.9512 174.3280 47 D 4.9628 9.8492 127.1731 54.6870 41.7885 176.0369 48 K 3.8665 7.9537 121.1872 57.0179 32.6368 177.2585 49 F 4.8599 7.4299 117.5085 57.3471 39.5919 175.5581 50 K 3.8576 8.1267 116.9594 57.9070 28.7465 175.3329 51 W 4.9962 8.1158 117.5633 54.7610 32.9539 176.1848 52 V 4.9416 8.3984 123.4480 60.5969 33.6050 174.4560 53 Y 5.5548 9.5010 119.9719 56.4911 42.5505 174.5913 54 F 5.4306 9.7092 120.2146 55.9473 42.5874 173.6370 55 L 5.2414 9.7670 126.9134 53.2197 44.5947 174.9164 56 S 5.2337 9.0069 120.6573 56.6032 65.6096 172.2625 57 D 5.2092 8.6559 126.8414 52.8134 41.1635 176.6128 58 I 3.6677 8.1463 125.9143 62.8159 37.7029 176.5024 59 G 3.8869 8.1790 107.0699 43.7949 0.0000 172.3223 60 V 3.9729 8.1587 120.5274 62.2643 32.0981 176.3942 61 I 4.1784 7.5317 125.5215 59.8359 37.5285 174.6233 62 D 4.4900 8.7511 128.0180 56.0079 41.5959 175.9743 63 N 5.0408 7.9509 115.5073 51.4481 41.4071 172.8526 64 L 4.9735 8.2564 125.5235 53.7823 47.0676 173.0933 65 D 4.9867 8.8101 122.3656 54.5398 41.1700 177.1711 66 S 4.6512 9.2576 120.1374 58.5753 66.7433 175.0562 67 N 4.8248 8.2214 116.9648 53.3392 39.7701 175.2485 68 A 4.4272 7.6507 121.5448 54.0501 20.2502 177.9999 69 C 3.9100 8.1326 116.3178 63.0257 31.4829 175.7895 70 Q 3.9940 8.1567 118.5069 59.4295 28.2234 178.9137 71 S 4.2794 8.2798 114.1149 61.9234 62.9708 176.1536 72 L 3.9520 8.4025 123.5581 57.5671 41.7736 178.0186 73 L 4.2445 8.4670 118.9239 56.5036 41.8533 177.9057 74 R 4.3648 7.9621 117.3860 57.7367 30.1929 177.1975 75 L 4.2348 8.5153 117.9784 57.0262 41.9198 177.0730 76 N 5.1869 8.0868 115.4988 52.8705 38.6592 174.9096 77 E 4.1456 7.6572 116.2446 56.3618 29.9789 176.9396 78 F 4.1279 8.7536 123.2724 58.4000 40.1943 173.8130 79 N 4.4816 6.5799 120.3787 52.7244 39.1237 173.8334 80 L 4.3258 8.3184 117.9219 54.7166 42.0096 177.3271 81 R 4.3774 7.8541 117.5304 54.8342 31.4728 177.3540 82 T 3.7677 8.4606 111.7694 61.8743 69.2813 173.7659 83 P 3.6292 0.0000 0.0000 63.9327 27.4156 173.1766 84 F 3.9628 7.9011 126.8050 57.1697 40.3026 174.7105 85 F 4.8106 7.3883 126.6878 56.4256 39.8777 175.4379 86 T 4.4441 8.6772 121.9795 62.9588 69.8585 174.0733 87 V 4.6364 8.5066 126.1787 61.4661 32.9324 175.0157 88 G 4.2529 9.0686 114.4758 45.2376 0.0000 170.1593 89 L 5.1821 8.3354 118.7830 52.5147 44.4026 176.6216 90 N 4.3564 9.1930 122.8836 53.5899 40.1052 174.6645 91 E 4.5437 8.6228 116.8745 56.5810 29.4540 178.1372 92 K 4.5558 7.7518 118.9323 56.2330 33.6138 175.8149 93 K 3.8606 8.0840 112.3831 57.9217 30.1833 174.4751 94 D 5.2407 7.7546 116.3838 51.9347 44.2784 176.9421 95 G 4.0491 8.6979 110.1930 47.2913 0.0000 172.7027 96 V 4.9978 8.2543 122.2500 60.3382 35.5193 173.6505 97 V 4.9615 9.0965 124.2331 61.6838 34.8008 173.6253 98 H 6.0817 8.9469 122.4550 53.8456 32.9613 171.7709 99 T 5.1140 8.5125 113.2973 62.9264 73.0484 172.9451 100 R 5.3203 8.4126 117.9861 55.4120 32.9026 174.5980 101 I 4.3367 8.4629 120.5671 59.3356 42.0394 172.9567 102 P 2.9794 0.0000 0.0000 61.9983 31.9590 176.1712 103 L 3.9695 8.0079 121.6170 56.7717 42.4227 176.4957 104 L 3.9645 7.6713 120.2464 56.2331 41.9509 175.6542 105 N 4.1274 8.8476 124.9745 54.6734 37.1336 173.3041 106 L 4.5530 7.6937 117.7154 52.5979 44.4031 175.4962 107 D 4.8966 8.6812 125.1163 52.7568 42.1267 176.5575 108 N 4.5053 8.5741 119.8014 55.6685 37.9752 176.7037 109 V 3.7060 7.9372 118.6877 65.9112 31.8229 178.2873 110 E 4.0692 7.6450 119.5772 56.3100 29.1202 178.9012 *112 R 4.2915 8.2166 116.6573 56.1163 32.2927 178.0083 113 R 3.9176 7.9078 116.6046 59.5126 30.0051 178.8788 114 V 3.7539 8.0062 118.0155 66.4051 31.2928 177.3461 115 F 3.9645 8.0987 119.3725 61.3295 39.2162 176.2976 116 E 3.9969 9.2522 117.8652 59.7045 29.4771 179.2928 117 A 3.9212 8.8631 121.5253 55.3548 18.4123 179.4064 118 L 2.8403 7.9586 118.8531 58.0506 42.0083 178.7424 119 L 3.7182 7.6595 118.9840 57.6611 41.4656 178.8428 120 N 4.1580 8.1590 115.8916 56.6306 38.6011 177.1281 121 L 3.7548 7.6649 121.1742 58.3448 41.9907 179.1901 122 S 4.0948 7.9385 115.0910 61.8119 62.6867 176.3061 123 G 3.6112 8.1682 108.6057 47.4667 0.0000 175.0907 124 E 3.9661 8.3933 122.1736 59.0914 29.9375 179.9061 125 V 3.7785 8.0599 118.0524 65.5777 31.5056 178.0777 126 K 3.9959 8.2751 119.8755 58.9637 32.3496 177.9483 127 K 4.3864 7.9550 117.6400 56.1673 32.3454 177.0233 128 T 4.7484 7.7701 114.4114 64.5546 76.4400 175.1936 129 F 4.5037 8.4962 117.0538 56.5130 40.6294 175.9221 130 G 4.1008 8.2087 114.6775 45.7196 0.0000 173.2668 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 G 8.21 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 2 A 7.47 4.09 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 *4 K 8.95 4.36 0.00 1.96 2.07 0.00 1.86 0.00 0.00 2.06 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.64 7.81 5 N 7.93 4.34 0.00 2.88 2.89 0.00 0.00 6.78 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 6 S 8.24 4.06 0.00 4.16 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 F 8.38 4.26 0.00 3.16 3.29 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 8 D 8.55 4.06 0.00 2.88 2.64 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 0.00 0.00 0.00 9 R 7.94 3.82 0.00 1.95 1.95 0.00 3.35 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 10 L 7.84 3.76 0.00 1.69 1.54 0.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.29 3.23 1.45 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 -0.36 0.44 0.00 0.00 12 D 8.50 4.41 0.00 2.66 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 13 G 8.16 3.53 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 0.00 0.00 0.00 14 L 7.73 3.84 0.00 1.14 0.42 0.50 -1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.18 4.56 1.45 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 16 K 7.86 3.94 0.00 1.92 1.88 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.64 7.81 17 D 7.56 4.84 0.00 2.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.30 4.85 0.00 3.04 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 19 G 8.82 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 0.00 0.00 0.00 *21 P 0.00 3.58 0.00 1.28 0.49 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 22 G 8.56 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 0.00 0.00 0.00 23 F 8.48 5.02 0.00 2.72 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 24 P 0.00 4.36 0.00 1.97 2.01 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 25 E 8.26 4.31 0.00 1.96 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 2.28 2.32 0.00 26 K 8.42 4.48 0.00 1.72 1.83 0.00 1.69 0.00 0.00 2.30 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 27 K 8.41 4.08 0.00 1.72 1.72 0.00 1.47 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.38 7.81 28 H 8.26 4.47 0.00 3.12 3.11 0.00 5.70 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 29 E 8.34 4.15 0.00 1.92 1.68 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 1.94 2.19 0.00 30 H 8.74 4.30 0.00 3.43 3.32 0.00 5.67 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 31 E 7.56 4.18 0.00 2.15 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 2.41 2.52 0.00 32 V 8.21 4.39 1.80 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 0.67 0.00 0.00 -0.13 0.00 0.00 33 Y 7.82 5.21 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 34 C 8.26 4.92 0.00 2.84 2.56 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 0.00 0.00 0.00 0.00 35 F 9.14 4.41 0.00 2.93 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 36 E 8.71 4.58 0.00 1.81 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 2.15 2.24 0.00 37 F 9.02 4.59 0.00 3.14 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 38 K 8.51 3.97 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.50 7.81 39 E 8.63 4.04 0.00 2.28 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 2.50 2.48 0.00 40 V 7.97 4.42 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 1.04 0.00 0.00 1.09 0.00 0.00 41 S 7.84 3.85 0.00 4.06 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 42 I 7.61 5.23 1.93 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 1.08 0.00 0.00 43 R 9.72 5.18 0.00 1.91 1.75 0.00 3.16 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 44 I 8.75 4.98 2.02 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.90 0.00 0.00 45 Y 9.26 5.33 0.00 3.01 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 46 Q 8.83 5.05 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 47 D 9.85 4.96 0.00 3.47 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 48 K 7.95 3.87 0.00 1.64 0.76 0.00 1.64 0.00 0.00 1.29 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.93 1.14 7.81 49 F 7.43 4.86 0.00 3.33 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 50 K 8.13 3.86 0.00 2.03 1.91 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 51 W 8.12 5.00 0.00 3.31 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 52 V 8.40 4.94 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 0.91 0.00 0.00 1.11 0.00 0.00 53 Y 9.50 5.55 0.00 3.12 3.07 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 0.00 0.00 0.00 54 F 9.71 5.43 0.00 3.11 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 L 9.77 5.24 0.00 1.87 1.82 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.01 5.23 0.00 3.88 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 57 D 8.66 5.21 0.00 2.62 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 58 I 8.15 3.67 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.95 0.00 0.00 59 G 8.18 3.89 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 0.00 0.00 0.00 60 V 8.16 3.97 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 0.94 0.00 0.00 0.95 0.00 0.00 61 I 7.53 4.18 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 1.07 0.00 0.00 62 D 8.75 4.49 0.00 2.69 2.68 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 63 N 7.95 5.04 0.00 2.66 2.65 0.00 0.00 6.64 7.78 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 64 L 8.26 4.97 0.00 1.60 1.48 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.81 4.99 0.00 2.65 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 0.00 0.00 0.00 66 S 9.26 4.65 0.00 3.94 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 67 N 8.22 4.82 0.00 2.69 2.87 0.00 0.00 6.85 7.35 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 68 A 7.65 4.43 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 69 C 8.13 3.91 0.00 3.05 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 70 Q 8.16 3.99 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 71 S 8.28 4.28 0.00 4.17 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 72 L 8.40 3.95 0.00 2.06 1.89 -0.39 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 73 L 8.47 4.24 0.00 1.65 1.84 0.95 1.04 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 74 R 7.96 4.36 0.00 2.17 2.09 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 75 L 8.52 4.23 0.00 1.67 1.65 0.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.09 5.19 0.00 2.82 3.00 0.00 0.00 6.96 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 77 E 7.66 4.15 0.00 2.21 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 0.00 2.54 2.39 0.00 78 F 8.75 4.13 0.00 2.99 2.93 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 79 N 6.58 4.48 0.00 2.80 2.77 0.00 0.00 6.07 7.79 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 80 L 8.32 4.33 0.00 1.66 1.70 0.99 1.05 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 81 R 7.85 4.38 0.00 1.90 1.81 0.00 3.33 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 82 T 8.46 3.77 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 1.17 0.00 0.00 83 P 0.00 3.63 0.00 1.83 2.02 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 84 F 7.90 3.96 0.00 2.82 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 85 F 7.39 4.81 0.00 2.66 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 86 T 8.68 4.44 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 1.31 0.00 0.00 87 V 8.51 4.64 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 0.62 0.00 0.00 0.82 0.00 0.00 88 G 9.07 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 0.00 0.00 0.00 0.00 89 L 8.34 5.18 0.00 1.49 1.57 0.92 0.96 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 90 N 9.19 4.36 0.00 2.92 2.87 0.00 0.00 6.86 7.88 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 91 E 8.62 4.54 0.00 2.00 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 2.33 0.00 92 K 7.75 4.56 0.00 1.85 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.42 7.81 93 K 8.08 3.86 0.00 1.97 1.84 0.00 1.51 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 94 D 7.75 5.24 0.00 2.58 2.64 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 0.00 0.00 0.00 95 G 8.70 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 96 V 8.25 5.00 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 0.81 0.00 0.00 1.02 0.00 0.00 97 V 9.10 4.96 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 0.90 0.00 0.00 0.86 0.00 0.00 98 H 8.95 6.08 0.00 3.48 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.51 5.11 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 1.10 0.00 0.00 100 R 8.41 5.32 0.00 1.82 1.86 0.00 3.08 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 101 I 8.46 4.34 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.70 0.00 0.00 102 P 0.00 2.98 0.00 1.57 0.55 0.00 3.18 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 103 L 8.01 3.97 0.00 1.84 1.61 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.67 3.96 0.00 1.57 1.50 0.91 0.94 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 0.00 105 N 8.85 4.13 0.00 2.86 2.82 0.00 0.00 6.93 7.78 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 0.00 106 L 7.69 4.55 0.00 1.52 1.61 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.68 4.90 0.00 2.79 2.51 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 0.00 108 N 8.57 4.51 0.00 2.87 3.14 0.00 0.00 5.99 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 0.00 109 V 7.94 3.71 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 0.95 0.00 0.00 110 E 7.65 4.07 0.00 2.10 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 2.27 2.25 0.00 *112 R 8.22 4.29 0.00 2.16 2.01 0.00 3.37 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 113 R 7.91 3.92 0.00 1.99 2.01 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 114 V 8.01 3.75 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 0.51 0.00 0.00 0.81 0.00 0.00 115 F 8.10 3.96 0.00 3.44 3.25 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 0.00 116 E 9.25 4.00 0.00 2.18 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 2.66 2.60 0.00 117 A 8.86 3.92 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.96 2.84 0.00 1.68 1.61 0.71 0.63 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 0.00 119 L 7.66 3.72 0.00 1.74 1.58 1.07 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 0.00 120 N 8.16 4.16 0.00 2.77 2.82 0.00 0.00 6.79 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 0.00 121 L 7.66 3.75 0.00 1.34 1.26 0.77 0.53 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 0.00 122 S 7.94 4.09 0.00 3.98 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 0.00 123 G 8.17 3.61 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 0.00 124 E 8.39 3.97 0.00 1.90 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 0.00 2.34 2.53 0.00 125 V 8.06 3.78 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 0.76 0.00 0.00 0.78 0.00 0.00 126 K 8.28 4.00 0.00 2.13 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.61 7.81 127 K 7.96 4.39 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 128 T 7.77 4.75 4.61 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 1.00 0.00 0.00 129 F 8.50 4.50 0.00 2.86 3.11 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 0.00 130 G 8.21 4.10 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.