NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3213 8.3144 122.0570 56.1224 32.8786 175.4800 3 K 4.1394 8.2740 122.2313 55.4549 33.6007 174.9080 4 I 4.4063 9.2284 129.5899 61.4173 38.4983 174.6933 5 I 4.4937 8.4462 127.4768 59.7369 38.7549 174.9444 6 E 4.8697 8.6845 126.9239 54.8332 31.9988 174.4183 7 T 4.6951 9.5101 120.8717 60.5212 70.6321 174.2264 8 Q 4.0014 8.6734 125.1933 57.4470 29.1278 176.8448 9 R 4.3101 7.9958 116.1125 56.1524 30.4711 175.9125 10 A 4.9955 7.2310 120.1376 49.0838 22.0839 174.4418 11 P 4.3216 0.0000 0.0000 62.5055 31.9346 177.1822 12 G 3.6735 8.5496 110.9174 45.1096 0.0000 173.0499 13 A 4.1483 8.6096 124.1842 51.0327 19.0909 176.8766 14 I 3.6992 8.7221 119.0690 62.9236 37.2649 179.9603 15 G 3.9313 8.7218 113.1935 43.9890 0.0000 172.0303 16 P 4.5613 0.0000 0.0000 61.2747 29.5639 174.4481 17 Y 4.8611 6.8398 120.9414 56.7601 41.1877 175.0334 18 V 4.5483 8.0616 113.5765 59.5084 34.5351 176.2506 19 Q 4.3541 8.7440 120.8843 59.1823 29.6469 176.5466 20 G 4.6962 7.8844 103.6950 45.1153 0.0000 172.2818 21 V 5.0127 8.8547 119.5804 59.7319 35.0800 173.9012 22 D 5.1453 9.5004 124.5156 52.7510 42.6638 176.1927 23 L 4.4617 9.0591 126.0353 54.7261 42.1830 177.4037 24 G 4.4266 8.9434 115.3915 45.5850 0.0000 175.4108 25 S 4.5535 7.8899 114.8118 60.1003 64.6415 173.0146 26 M 5.1922 7.7913 115.9747 54.0590 34.4440 173.6788 27 V 4.9059 8.9766 120.4867 61.2835 34.8508 174.0834 28 F 5.2696 9.2590 126.4364 56.0279 41.3886 174.9880 29 T 5.1209 8.5837 113.3092 60.0370 70.9480 174.5780 30 S 4.4078 8.8708 119.6282 58.1048 64.0105 174.3882 31 G 3.8252 8.3806 109.1223 46.1506 0.0000 172.9713 32 Q 4.8033 9.3542 125.8221 54.5054 30.6386 175.1979 33 I 4.7210 8.2062 117.0491 57.7730 40.3223 174.5172 34 P 4.6651 0.0000 0.0000 62.3040 30.4366 174.5958 35 V 4.6830 7.0291 124.9933 62.7922 32.1398 174.6861 *37 P 4.4312 0.0000 0.0000 63.2410 33.1584 179.0068 38 Q 4.1496 8.2875 116.4949 57.6978 28.2749 180.3585 39 T 4.2881 7.8833 106.2351 60.7325 69.8748 175.8647 40 G 3.9395 8.2588 109.0139 45.5542 0.0000 173.3669 41 E 4.2643 7.8584 119.0167 55.6734 30.3546 176.0788 42 I 4.6799 8.2212 122.1388 57.8535 38.5579 174.2189 43 P 4.3749 0.0000 0.0000 62.6577 31.8141 176.4519 44 A 4.1121 8.5067 123.3702 54.7832 19.0207 178.3428 45 D 4.7024 7.8313 114.7586 53.4935 43.4896 177.6536 46 V 3.7425 8.4632 128.2688 65.3817 31.5314 179.2319 47 Q 4.0425 8.6722 121.8844 60.3880 27.9365 182.2199 48 D 4.5857 8.0254 120.5823 57.1493 40.8903 178.7270 49 Q 3.9903 8.3237 118.4690 58.8197 28.7046 178.7032 50 A 3.9778 8.3704 122.1538 55.1531 18.3868 179.6270 51 R 3.7295 7.9433 117.2262 59.5084 30.0900 178.4986 52 L 3.9285 8.0212 120.0937 58.1754 42.0943 179.0314 53 S 4.0894 8.3369 115.4535 61.6473 62.7196 176.7365 54 L 3.5993 7.6642 121.5521 57.6416 41.0889 179.4339 55 E 4.0304 8.3218 118.8808 59.3837 28.8500 179.1549 56 N 4.3183 8.4439 116.9272 56.1789 38.6167 177.5262 57 V 3.5813 7.7717 119.5225 65.9037 31.6842 177.7127 58 K 3.8532 8.3447 119.4758 59.7016 31.9497 178.1842 59 A 4.0514 8.3180 121.1011 55.4744 18.2576 179.7887 60 I 3.7085 7.5113 117.3284 64.3684 37.3115 178.7764 61 V 3.5905 7.8160 119.1210 66.1570 31.3165 178.3238 62 V 4.2243 8.6422 119.4135 65.4364 31.1125 177.7803 63 A 3.9771 8.1054 119.7380 54.8150 18.2920 178.6489 64 A 4.2904 7.6311 116.4669 52.6270 18.7248 178.1979 65 G 3.8161 8.2320 105.7540 45.3501 0.0000 173.1377 66 L 4.7338 7.8005 119.2574 52.5532 44.6999 175.3788 67 S 5.0663 8.9152 114.2507 56.0467 65.7092 175.3228 68 V 3.4838 8.3436 120.3371 66.1419 31.0488 177.9349 69 G 3.8430 7.6465 105.6987 47.2828 0.0000 173.6463 70 D 4.6101 8.1732 119.5965 54.7063 41.4538 176.3448 71 I 4.2737 7.7149 122.0612 61.2837 37.5586 175.6213 72 I 4.5015 8.7195 118.0615 60.6905 40.0103 175.1660 73 K 5.1658 7.6361 123.5261 55.5791 35.7159 174.3279 74 M 5.4007 9.2135 125.5247 53.9023 36.8486 174.2522 75 T 4.8217 8.5493 117.1994 61.6949 72.1762 173.2648 76 V 4.3709 8.4552 126.4813 61.3032 33.7207 174.0548 77 F 5.3440 9.0484 128.4077 56.1136 40.6130 175.4216 78 I 5.2648 8.7480 116.7901 59.5062 40.9228 175.9271 79 T 4.5372 8.5401 111.6813 62.1124 70.6470 174.0741 80 D 4.5783 7.7463 122.6942 52.1591 42.8517 175.3434 81 L 4.0175 8.9597 128.5663 57.3967 41.2941 179.1291 82 N 4.4719 8.3725 115.8887 55.8538 38.6387 176.0451 83 D 4.6477 8.3998 119.4451 55.1236 41.0764 178.1388 84 F 4.4903 8.2190 122.4161 61.3078 39.4175 176.7435 85 A 3.8120 8.0140 119.9267 55.3521 18.2460 179.6119 86 T 3.8097 7.8168 113.6783 66.8383 68.5681 176.7257 87 I 3.7398 8.0303 121.9482 64.6212 37.1447 178.2259 88 N 4.1557 8.4293 119.9771 56.7169 38.2426 177.8730 89 E 3.9562 8.2001 119.6839 61.1993 29.7696 181.4460 90 V 3.8428 7.7619 119.5905 65.8437 31.6090 177.4778 91 Y 4.0981 8.3790 119.5336 60.5923 38.6298 177.7614 92 K 4.0134 8.6869 120.9636 59.9353 32.2940 178.6691 93 Q 4.0799 8.3997 118.2230 58.8244 28.7023 178.6677 94 F 4.0921 8.5909 121.8248 61.4678 39.4659 177.3051 95 F 3.7806 8.4162 117.3584 60.4909 38.7624 177.4270 96 D 4.4501 8.7062 118.8118 57.5252 40.4398 178.7184 97 E 4.0383 8.5155 118.1398 58.5785 29.4064 177.9885 98 H 4.5290 7.1617 113.2456 54.0433 29.5317 174.3627 99 Q 3.2765 7.7426 118.4484 56.9337 26.8706 173.5824 100 A 4.7342 7.8136 118.9753 50.1535 21.1112 177.7762 101 T 3.6523 8.3719 119.5672 63.7120 69.1314 173.7962 102 Y 3.9479 7.5047 123.0852 57.1941 38.4598 174.1829 103 P 4.7040 0.0000 0.0000 62.1491 32.5226 175.7815 104 T 4.1844 8.4004 110.2421 62.2839 69.8626 173.3053 105 R 5.4682 8.0756 120.9052 55.8724 33.2590 174.0020 106 S 4.8635 8.5545 119.6619 56.9142 66.8818 172.5762 107 C 5.5111 8.2312 121.9732 57.3445 34.3564 173.3979 108 V 4.4381 8.0653 117.7152 59.6844 36.2949 173.9946 109 Q 4.8181 8.5187 124.7467 55.2461 29.5348 175.7677 110 V 4.1616 8.5449 120.7850 60.1862 32.9980 176.8638 111 A 4.0895 8.5630 124.1657 55.1489 18.4131 177.8628 112 R 4.6023 7.3264 111.8374 55.3882 33.0867 173.5179 113 L 4.8387 7.9929 121.2000 51.6764 45.5034 174.3455 114 P 4.3330 0.0000 0.0000 64.5194 31.6302 176.9767 115 K 3.9467 9.2667 119.0715 56.8658 29.5792 175.0811 116 D 4.4259 8.0837 115.7776 55.3112 38.7837 174.6269 117 V 3.9280 7.3212 111.4809 61.4499 32.3436 176.5022 118 K 4.4707 9.4578 120.0559 56.9572 33.0160 176.6228 119 L 5.0766 7.5225 118.0652 54.8575 43.1369 174.1763 120 E 4.9714 9.4834 120.7586 54.7962 33.6242 173.9830 121 I 5.1354 8.9735 126.9985 59.5607 40.8051 174.2973 122 E 5.1190 9.0685 124.8176 54.6531 32.6409 174.7901 123 A 5.2939 8.7129 121.3832 50.4708 23.4707 174.9587 124 I 4.7157 8.7264 119.2404 59.3823 40.9454 174.7904 125 A 5.1952 8.9624 127.7432 50.1273 22.7407 174.9944 126 V 4.7505 8.5024 112.3051 59.5060 34.8378 175.4372 127 R 4.4403 8.4999 125.0750 54.8956 31.1050 176.4059 128 S 4.3716 8.6074 121.5817 58.8154 63.0530 174.0592 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 2 K 8.31 4.32 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 3 K 8.27 4.14 0.00 1.99 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.42 1.36 7.81 4 I 9.23 4.41 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 1.36 0.66 0.93 0.00 0.00 5 I 8.45 4.49 1.92 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 1.15 0.59 0.97 0.00 0.00 6 E 8.68 4.87 0.00 1.92 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 2.18 2.28 0.00 7 T 9.51 4.70 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 1.33 0.00 0.00 8 Q 8.67 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 9 R 8.00 4.31 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 10 A 7.23 5.00 1.25 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 11 P 0.00 4.32 0.00 2.11 2.05 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 12 G 8.55 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 13 A 8.61 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.72 3.70 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 0.96 0.00 0.00 15 G 8.72 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 16 P 0.00 4.56 0.00 2.21 2.10 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 17 Y 6.84 4.86 0.00 3.11 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 18 V 8.06 4.55 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 0.77 0.00 0.00 1.06 0.00 0.00 19 Q 8.74 4.35 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 20 G 7.88 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 21 V 8.85 5.01 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 0.81 0.00 0.00 1.01 0.00 0.00 22 D 9.50 5.15 0.00 2.71 2.60 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 0.00 0.00 0.00 0.00 23 L 9.06 4.46 0.00 1.85 1.75 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.94 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 0.00 0.00 0.00 0.00 25 S 7.89 4.55 0.00 3.93 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 0.00 26 M 7.79 5.19 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 27 V 8.98 4.91 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 1.15 0.00 0.00 1.00 0.00 0.00 28 F 9.26 5.27 0.00 3.07 2.98 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 29 T 8.58 5.12 4.30 0.00 0.00 0.00 0.00 0.00 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 30 S 8.87 4.41 0.00 3.78 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 31 G 8.38 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 32 Q 9.35 4.80 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 33 I 8.21 4.72 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 1.40 0.63 0.90 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.48 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 35 V 7.03 4.68 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 0.89 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.43 0.00 2.38 2.17 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.14 0.00 38 Q 8.29 4.15 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 39 T 7.88 4.29 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 1.22 0.00 0.00 40 G 8.26 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 41 E 7.86 4.26 0.00 2.00 1.89 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 2.33 2.44 0.00 42 I 8.22 4.68 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 1.26 1.40 0.97 0.00 0.00 43 P 0.00 4.37 0.00 2.18 2.06 0.00 3.93 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 1.99 1.97 0.00 44 A 8.51 4.11 1.31 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 0.00 0.00 0.00 45 D 7.83 4.70 0.00 2.81 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 46 V 8.46 3.74 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 1.00 0.00 0.00 1.02 0.00 0.00 47 Q 8.67 4.04 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 48 D 8.03 4.59 0.00 2.85 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 49 Q 8.32 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 50 A 8.37 3.98 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 51 R 7.94 3.73 0.00 1.97 2.07 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 52 L 8.02 3.93 0.00 1.88 1.84 0.97 0.90 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 53 S 8.34 4.09 0.00 3.86 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 54 L 7.66 3.60 0.00 1.18 0.13 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.32 4.03 0.00 2.09 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 0.00 2.53 2.52 0.00 56 N 8.44 4.32 0.00 2.88 3.06 0.00 0.00 6.63 7.87 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 57 V 7.77 3.58 2.14 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 1.01 0.00 0.00 0.95 0.00 0.00 58 K 8.34 3.85 0.00 2.08 2.08 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 59 A 8.32 4.05 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 60 I 7.51 3.71 2.03 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 1.45 1.08 1.01 0.00 0.00 61 V 7.82 3.59 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 1.03 0.00 0.00 1.01 0.00 0.00 62 V 8.64 4.22 2.18 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 1.40 0.00 0.00 1.02 0.00 0.00 63 A 8.11 3.98 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 64 A 7.63 4.29 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 65 G 8.23 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 66 L 7.80 4.73 0.00 1.88 1.68 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.92 5.07 0.00 3.90 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 68 V 8.34 3.48 1.73 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 0.35 0.00 0.00 0.44 0.00 0.00 69 G 7.65 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 0.00 0.00 0.00 70 D 8.17 4.61 0.00 2.89 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 71 I 7.71 4.27 2.24 0.00 0.00 1.00 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 0.60 1.09 0.00 0.00 72 I 8.72 4.50 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 1.07 0.78 0.96 0.00 0.00 73 K 7.64 5.17 0.00 1.83 1.58 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 74 M 9.21 5.40 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 75 T 8.55 4.82 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 0.29 0.00 0.00 76 V 8.46 4.37 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 1.03 0.00 0.00 1.01 0.00 0.00 77 F 9.05 5.34 0.00 2.97 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 78 I 8.75 5.26 1.89 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 1.33 1.10 0.94 0.00 0.00 79 T 8.54 4.54 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 1.27 0.00 0.00 80 D 7.75 4.58 0.00 2.65 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 81 L 8.96 4.02 0.00 1.77 1.67 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.37 4.47 0.00 2.87 2.91 0.00 0.00 7.00 7.56 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 83 D 8.40 4.65 0.00 2.88 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 84 F 8.22 4.49 0.00 3.09 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 85 A 8.01 3.81 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 86 T 7.82 3.81 4.41 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 1.23 0.00 0.00 87 I 8.03 3.74 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 1.00 0.00 0.00 88 N 8.43 4.16 0.00 2.58 2.57 0.00 0.00 7.18 7.56 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 89 E 8.20 3.96 0.00 1.98 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 2.25 2.19 0.00 90 V 7.76 3.84 2.27 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 1.06 0.00 0.00 1.03 0.00 0.00 91 Y 8.38 4.10 0.00 3.20 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 92 K 8.69 4.01 0.00 1.80 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.71 1.52 7.81 93 Q 8.40 4.08 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 94 F 8.59 4.09 0.00 3.11 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 95 F 8.42 3.78 0.00 3.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.45 0.00 2.92 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 97 E 8.52 4.04 0.00 1.86 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 0.00 2.29 2.49 0.00 98 H 7.16 4.53 0.00 2.97 3.11 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.74 3.28 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 100 A 7.81 4.73 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 0.00 101 T 8.37 3.65 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 1.12 0.00 0.00 102 Y 7.50 3.95 0.00 2.93 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 0.00 103 P 0.00 4.70 0.00 2.06 2.19 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 104 T 8.40 4.18 4.23 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 1.20 0.00 0.00 105 R 8.08 5.47 0.00 1.76 1.70 0.00 2.59 0.00 0.00 3.46 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 106 S 8.55 4.86 0.00 3.64 3.59 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 0.00 107 C 8.23 5.51 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 0.00 108 V 8.07 4.44 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 0.65 0.00 0.00 1.06 0.00 0.00 109 Q 8.52 4.82 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 110 V 8.54 4.16 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 0.78 0.00 0.00 1.05 0.00 0.00 111 A 8.56 4.09 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 0.00 112 R 7.33 4.60 0.00 1.72 1.73 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 113 L 7.99 4.84 0.00 1.84 1.47 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.33 0.00 2.14 1.97 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 115 K 9.27 3.95 0.00 1.91 1.90 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.45 7.81 116 D 8.08 4.43 0.00 2.84 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 0.00 117 V 7.32 3.93 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 0.71 0.00 0.00 1.04 0.00 0.00 118 K 9.46 4.47 0.00 1.82 1.86 0.00 1.72 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.31 7.81 119 L 7.52 5.08 0.00 1.80 1.64 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.48 4.97 0.00 2.03 1.90 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 2.34 2.31 0.00 121 I 8.97 5.14 1.90 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 1.37 0.62 0.99 0.00 0.00 122 E 9.07 5.12 0.00 2.14 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 0.00 2.32 2.29 0.00 123 A 8.71 5.29 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 0.00 124 I 8.73 4.72 1.68 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 0.55 0.69 0.36 0.00 0.00 125 A 8.96 5.20 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 0.00 126 V 8.50 4.75 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 0.65 0.00 0.00 0.92 0.00 0.00 127 R 8.50 4.44 0.00 1.84 1.98 0.00 3.44 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 128 S 8.61 4.37 0.00 3.89 3.75 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 * Residues marked with a * may have inaccurate shift predictions.