NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.2505 8.2649 123.5353 51.9121 20.0235 175.9386 24 F 4.7068 9.1826 120.3297 54.8681 40.7829 174.2548 25 I 3.6429 8.5642 125.0783 63.2867 38.2579 174.8207 26 G 4.1417 8.8742 118.4285 46.2780 0.0000 176.2041 27 V 3.6102 7.5185 113.2371 62.8803 31.8254 177.2278 28 D 4.8136 7.7249 119.4916 53.8614 41.4465 176.8252 29 S 4.6043 7.4893 115.2458 56.7039 66.1897 173.7274 30 A 3.9869 8.3821 122.2986 55.3851 18.0973 179.5413 31 A 3.4735 7.2946 118.7023 55.0009 18.3423 179.8559 32 G 3.6505 7.8981 105.6338 47.4846 0.0000 175.6621 33 N 4.4114 8.5895 119.1767 55.9593 38.4165 177.6855 34 V 3.6197 7.6176 119.8043 65.8492 31.6421 178.1773 35 V 3.6104 7.6125 117.4536 66.0387 31.3720 178.0379 36 K 3.9905 8.1212 118.0466 59.7419 31.8669 179.3116 37 Q 4.0487 8.4863 118.5481 58.8262 28.6120 178.6776 38 F 4.3824 8.5916 121.8749 61.7311 39.4857 176.8913 39 H 4.0271 8.3072 115.4760 58.8781 28.3203 177.6999 40 A 3.9935 8.0067 120.9799 55.0970 18.4057 179.2260 41 A 4.1095 8.2927 119.4511 55.1980 18.2262 179.8980 42 L 3.9591 7.7062 116.5509 57.9464 41.7189 180.0707 43 Q 4.1755 7.6382 113.0718 56.4205 28.6132 176.9980 *45 G 3.6698 7.9462 107.4400 45.5924 0.0000 174.6388 46 N 4.7368 8.2782 120.4667 51.6909 39.1464 173.3399 47 E 4.1196 8.5323 126.8759 58.6163 30.1127 178.6296 48 A 3.9989 8.0776 121.6853 55.4272 18.3201 179.5036 49 I 3.8694 7.9722 116.7653 63.9854 37.5311 178.5783 50 V 4.0426 7.8873 119.4069 66.3498 31.3278 178.4387 51 R 4.0887 8.4051 117.7035 59.0171 29.5941 178.7615 52 Q 4.0334 7.9646 118.7926 58.7685 29.2824 177.0472 53 S 4.3780 8.1258 115.6058 59.6027 63.4980 173.6745 54 L 4.8555 6.8935 116.9219 52.2082 43.4732 176.3383 55 A 4.0651 8.4973 125.9209 51.8423 19.1213 178.4001 56 A 4.0514 8.7638 124.2635 54.7552 18.4763 178.7665 57 N 5.1175 7.8169 111.6031 52.0899 37.9463 175.1142 58 V 3.7441 7.3495 118.1998 63.5682 32.0238 174.8415 59 Q 4.7715 8.7668 124.4724 54.5276 31.3676 174.0163 60 I 4.5957 8.8530 127.2943 59.7047 40.3191 173.8712 61 Y 5.3323 8.7933 125.7827 56.4516 40.1528 174.6844 62 E 4.9662 9.4194 122.7477 55.9272 34.0434 175.5141 63 G 3.8264 9.9070 114.6619 46.7687 0.0000 174.5691 64 G 3.8779 8.5553 106.0331 44.9334 0.0000 174.1827 65 K 4.6739 7.9123 118.9799 54.1440 35.1950 175.4255 66 V 5.0174 8.0882 119.6674 59.9539 34.1499 174.7438 67 E 4.9033 8.9041 122.4529 55.0224 31.3975 176.7141 68 R 4.5714 8.9255 120.5293 56.0021 31.2887 176.4256 69 S 4.7641 7.4491 112.2089 56.0179 66.8054 174.9709 70 L 4.0849 8.7127 125.4181 58.6067 41.8118 179.5031 71 T 3.9447 7.9156 109.3162 64.6803 68.5073 175.8110 72 E 3.8930 8.0943 121.1992 59.1981 29.5074 177.6626 73 Y 4.4312 8.1868 119.1687 61.0261 38.6512 178.2701 74 A 3.9005 8.4241 120.3010 54.7843 18.4728 178.6604 75 N 4.4154 7.8897 115.3537 57.1389 39.2172 174.2122 76 H 4.9282 8.0166 117.5014 57.7771 36.2109 176.2121 77 H 4.3419 8.1286 117.4461 56.3740 29.3898 177.0280 *79 L 4.1865 8.0701 118.7789 54.2755 43.6572 178.3210 80 A 4.1984 8.2462 121.2731 55.5830 18.5501 180.4102 81 D 4.5033 8.4128 113.5768 55.1272 40.3944 178.6002 *83 A 4.2921 8.1575 123.9267 52.4922 20.4328 179.2094 84 Y 3.5462 8.1267 115.6505 60.6264 38.9707 177.5899 85 L 3.8896 8.0674 118.8178 56.4324 42.2086 178.9828 86 K 3.7666 7.6673 119.5619 59.3589 32.0111 177.5466 87 G 3.9539 7.9209 104.0090 45.3595 0.0000 172.6819 88 L 4.9667 7.4895 119.3482 52.8151 44.7397 175.7922 89 T 4.4277 8.9558 111.7585 60.1829 71.0427 173.4566 90 I 4.6304 8.3538 127.1262 60.0352 38.4254 174.9173 91 T 4.4167 8.8430 125.7121 61.0874 69.7378 173.0070 92 P 4.5940 0.0000 0.0000 62.5441 31.5278 175.8726 93 K 4.6074 9.0287 122.7404 57.5407 34.3723 176.2646 94 E 4.8116 7.8608 115.5384 55.5474 33.3032 173.5862 95 H 5.3297 8.4279 119.4365 55.5627 32.9652 172.5849 96 Q 4.7016 9.3789 124.3927 54.1469 32.7592 174.1914 97 I 5.0350 8.1755 121.0981 59.6348 41.7081 174.1238 98 T 4.6758 8.8798 124.3186 61.7741 71.5893 173.0270 99 I 4.8952 8.3031 126.1023 59.7025 40.6332 175.1392 100 T 4.5179 9.2864 122.0365 61.6307 71.1526 173.3090 101 G 3.7740 8.3946 118.6360 47.5033 0.0000 173.4167 102 D 4.5431 8.7090 124.7755 53.6377 40.9870 174.7603 103 I 5.3261 8.0907 120.2878 59.2011 41.3747 174.0691 104 A 5.2334 9.5619 129.6580 50.1964 22.7554 174.7942 105 I 4.9055 8.7886 121.7029 59.5069 40.7652 174.3943 106 S 5.2572 9.2064 122.8311 56.5982 64.7400 172.6287 107 T 5.3248 9.0049 117.6599 59.9614 71.0639 173.1279 108 S 5.2053 9.1875 120.0938 56.7136 66.7357 173.3738 109 I 4.8849 8.9326 121.8705 59.8778 40.1222 174.8145 110 S 5.1372 9.0809 121.5971 56.9749 67.8828 172.4349 111 H 5.2616 9.1318 121.7210 54.6826 31.6561 172.8274 112 A 5.0532 9.0272 129.2300 50.8430 20.6352 175.7703 113 Q 4.8288 10.1505 121.5984 53.1121 33.0978 175.4227 114 G 3.9683 7.2086 110.2108 45.4365 0.0000 171.3481 115 E 5.0831 7.9702 121.3312 54.9935 33.0150 174.1466 116 Y 4.7338 8.5632 120.0360 57.0415 41.6193 175.3678 117 K 3.2915 9.2469 126.2410 57.4231 29.6735 176.5928 118 G 3.9026 8.5168 108.6433 45.9217 0.0000 174.8141 119 K 4.6719 7.5196 123.1446 53.2447 34.6051 181.3491 120 S 4.6282 8.6174 116.8996 58.6014 63.3739 173.1974 121 I 4.4605 8.9945 128.2387 59.7855 39.3811 174.6457 122 D 5.0435 8.6261 127.2179 52.9037 42.1269 174.5736 123 S 4.4519 9.0666 128.9054 57.3667 67.1402 172.9143 *125 T 4.3713 8.2553 107.7970 61.3425 70.7207 171.7716 *127 E 4.8080 8.4041 120.4209 56.9363 31.2021 174.9570 128 T 5.0623 8.7322 123.4148 61.7887 71.3316 173.2639 129 L 5.1134 9.1863 126.1416 52.8217 45.6833 175.4680 130 V 4.7897 8.4393 122.8177 61.1847 33.8560 174.3973 131 L 5.4015 9.1972 127.2377 53.0461 45.7550 175.4366 132 I 5.1223 8.7508 122.5042 59.2884 40.8723 174.6153 133 K 3.6540 7.9907 128.6868 55.7628 32.3758 176.8910 134 Q 4.1740 9.0244 126.9955 54.6824 29.8410 176.6225 135 A 3.8718 8.5674 122.9397 55.6597 18.2311 178.6048 136 D 4.4610 7.9265 111.6106 53.7206 39.5743 177.3309 137 G 3.8520 8.1777 108.9823 45.4431 0.0000 174.2617 138 R 4.2198 7.9917 119.8443 55.8799 31.3080 175.7251 139 W 4.9334 8.8464 123.0949 55.8461 30.4628 175.8836 140 K 4.8632 8.8627 123.0461 54.3984 35.7419 175.5499 141 I 4.3274 8.7008 125.9008 61.6983 37.6201 176.5723 142 T 4.3299 9.2124 117.2804 62.1902 71.1028 173.7920 143 H 5.0924 7.6725 121.8356 54.7235 33.7351 171.9708 144 V 4.4120 8.3621 125.0705 61.0696 34.8149 173.4432 145 H 5.1538 8.9441 127.3880 54.3299 32.3687 171.9004 146 W 5.5660 9.1431 126.5106 55.1139 31.5824 176.5046 147 S 4.2439 8.5515 116.7195 58.9021 62.2893 173.9001 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 23 A 8.26 4.25 1.20 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 24 F 9.18 4.71 0.00 3.23 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 25 I 8.56 3.64 1.91 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 1.37 0.51 0.91 0.00 0.00 26 G 8.87 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.52 3.61 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 0.73 0.00 0.00 1.01 0.00 0.00 28 D 7.72 4.81 0.00 2.85 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 29 S 7.49 4.60 0.00 3.88 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 30 A 8.38 3.99 1.53 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 31 A 7.29 3.47 0.15 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 32 G 7.90 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 0.00 0.00 0.00 33 N 8.59 4.41 0.00 2.88 2.90 0.00 0.00 6.63 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 34 V 7.62 3.62 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 1.16 0.00 0.00 1.18 0.00 0.00 35 V 7.61 3.61 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 0.92 0.00 0.00 0.99 0.00 0.00 36 K 8.12 3.99 0.00 2.07 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.71 7.81 37 Q 8.49 4.05 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 38 F 8.59 4.38 0.00 3.12 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 39 H 8.31 4.03 0.00 3.40 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.01 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.29 4.11 1.53 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 42 L 7.71 3.96 0.00 1.58 1.60 0.43 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.64 4.18 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 *45 G 7.95 3.67 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 0.00 0.00 0.00 46 N 8.28 4.74 0.00 2.76 2.76 0.00 0.00 7.03 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 47 E 8.53 4.12 0.00 2.27 2.22 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 2.38 2.40 0.00 48 A 8.08 4.00 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 49 I 7.97 3.87 1.94 0.00 0.00 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 1.45 0.74 1.05 0.00 0.00 50 V 7.89 4.04 2.37 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 1.44 0.00 0.00 1.10 0.00 0.00 51 R 8.41 4.09 0.00 2.13 2.02 0.00 3.22 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 52 Q 7.96 4.03 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 S 8.13 4.38 0.00 4.19 3.84 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 54 L 6.89 4.86 0.00 1.68 1.47 1.04 0.13 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 55 A 8.50 4.07 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 56 A 8.76 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 5.12 0.00 2.81 2.88 0.00 0.00 6.01 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 58 V 7.35 3.74 1.88 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 0.57 0.00 0.00 0.67 0.00 0.00 59 Q 8.77 4.77 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 60 I 8.85 4.60 1.98 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 1.00 0.79 0.58 0.00 0.00 61 Y 8.79 5.33 0.00 2.72 2.65 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 62 E 9.42 4.97 0.00 2.39 1.97 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 2.29 2.61 0.00 63 G 9.91 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 64 G 8.56 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 65 K 7.91 4.67 0.00 1.88 1.67 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 66 V 8.09 5.02 2.00 0.00 0.00 0.00 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 1.15 0.00 0.00 67 E 8.90 4.90 0.00 2.21 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 2.40 2.51 0.00 68 R 8.93 4.57 0.00 1.79 1.95 0.00 3.22 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 69 S 7.45 4.76 0.00 4.14 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 70 L 8.71 4.08 0.00 1.98 1.74 1.07 0.85 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 71 T 7.92 3.94 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 72 E 8.09 3.89 0.00 2.05 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 0.00 2.42 2.38 0.00 73 Y 8.19 4.43 0.00 3.11 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 74 A 8.42 3.90 1.36 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 0.00 0.00 0.00 75 N 7.89 4.42 0.00 2.95 3.07 0.00 0.00 6.90 7.99 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 76 H 8.02 4.93 0.00 3.19 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.13 4.34 0.00 3.26 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 8.07 4.19 0.00 1.86 1.76 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.25 4.20 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 81 D 8.41 4.50 0.00 2.74 2.63 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 *83 A 8.16 4.29 1.49 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 0.00 0.00 84 Y 8.13 3.55 0.00 2.38 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 85 L 8.07 3.89 0.00 1.68 1.58 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.67 3.77 0.00 1.70 1.96 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 87 G 7.92 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 0.00 0.00 0.00 88 L 7.49 4.97 0.00 1.30 1.37 0.05 0.41 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 89 T 8.96 4.43 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 90 I 8.35 4.63 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.82 0.00 0.00 91 T 8.84 4.42 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 92 P 0.00 4.59 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 93 K 9.03 4.61 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.48 7.81 94 E 7.86 4.81 0.00 1.99 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 2.26 2.31 0.00 95 H 8.43 5.33 0.00 3.11 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.38 4.70 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 97 I 8.18 5.04 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.84 0.00 0.00 98 T 8.88 4.68 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 99 I 8.30 4.90 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.42 0.89 0.00 0.00 100 T 9.29 4.52 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 0.00 101 G 8.39 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 0.00 102 D 8.71 4.54 0.00 2.66 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 0.00 103 I 8.09 5.33 1.93 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 1.22 2.00 1.06 0.00 0.00 104 A 9.56 5.23 0.77 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 0.00 105 I 8.79 4.91 1.86 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 1.10 0.70 0.94 0.00 0.00 106 S 9.21 5.26 0.00 3.85 3.71 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 0.00 107 T 9.00 5.32 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 1.22 0.00 0.00 108 S 9.19 5.21 0.00 3.89 3.76 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 0.00 109 I 8.93 4.88 1.88 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 0.76 0.95 0.00 0.00 110 S 9.08 5.14 0.00 3.69 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 0.00 111 H 9.13 5.26 0.00 3.13 3.13 0.00 5.59 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 0.00 112 A 9.03 5.05 1.20 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 0.00 113 Q 10.15 4.83 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 114 G 7.21 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 0.00 0.00 0.00 115 E 7.97 5.08 0.00 2.12 1.88 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 2.15 2.27 0.00 116 Y 8.56 4.73 0.00 2.88 2.92 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 0.00 117 K 9.25 3.29 0.00 1.60 1.63 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.63 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.87 0.21 7.81 118 G 8.52 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 0.00 119 K 7.52 4.67 0.00 1.47 1.67 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.23 7.81 120 S 8.62 4.63 0.00 3.88 3.81 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 0.00 121 I 8.99 4.46 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.92 0.00 0.00 122 D 8.63 5.04 0.00 2.65 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 0.00 123 S 9.07 4.45 0.00 3.92 3.71 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 *125 T 8.26 4.37 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 *127 E 8.40 4.81 0.00 2.45 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 0.00 2.41 2.59 0.00 128 T 8.73 5.06 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 0.00 129 L 9.19 5.11 0.00 1.46 1.41 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.44 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 131 L 9.20 5.40 0.00 1.73 1.80 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.75 5.12 1.84 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 1.13 1.23 0.81 0.00 0.00 133 K 7.99 3.65 0.00 0.79 0.91 0.00 1.51 0.00 0.00 1.25 0.00 0.00 2.41 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.90 0.32 7.81 134 Q 9.02 4.17 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 135 A 8.57 3.87 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 0.00 136 D 7.93 4.46 0.00 2.77 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 0.00 137 G 8.18 3.85 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 0.00 0.00 0.00 138 R 7.99 4.22 0.00 1.90 1.87 0.00 3.12 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 139 W 8.85 4.93 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 140 K 8.86 4.86 0.00 1.65 1.70 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 141 I 8.70 4.33 1.55 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 1.07 0.45 0.58 0.00 0.00 142 T 9.21 4.33 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 143 H 7.67 5.09 0.00 3.06 2.98 0.00 5.80 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 0.00 144 V 8.36 4.41 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 -0.66 0.00 0.00 0.39 0.00 0.00 145 H 8.94 5.15 0.00 3.09 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.14 5.57 0.00 3.43 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 0.00 147 S 8.55 4.24 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.