NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4473 8.3193 115.4132 58.1228 64.6138 173.7106 3 M 4.0456 8.1259 118.7620 55.6960 31.9684 174.1084 4 K 4.4267 9.1379 123.3649 55.2979 34.6278 177.7349 5 T 4.0852 8.2351 119.5708 62.8907 69.0596 174.4062 6 L 4.1056 8.3984 128.7104 54.1647 42.7187 174.9014 7 P 4.4183 0.0000 0.0000 62.2977 31.9916 175.9931 8 K 4.2489 8.4108 121.3531 55.8500 32.6559 176.4913 9 E 4.5552 8.3590 124.0938 54.3791 32.5583 174.5460 10 R 3.8466 8.5729 126.6389 56.4535 30.7058 175.2259 11 R 4.5578 7.7612 121.8043 54.5450 33.7156 175.0162 12 F 4.8517 8.2549 116.0665 57.1919 41.0799 176.8966 13 E 3.6210 8.4568 120.6448 57.1083 27.2947 174.8790 14 T 3.9125 8.3425 121.9788 66.2447 68.9929 174.4966 15 F 4.4839 9.0208 123.5530 57.8857 36.9664 176.1130 16 S 4.6127 8.1889 114.0085 59.4077 63.1091 174.2715 17 Y 4.2192 8.0584 117.6468 58.1877 38.6704 175.6658 18 L 4.5158 7.7078 120.3415 52.5695 42.8694 174.8618 19 P 4.3071 0.0000 0.0000 62.2810 31.5531 174.4626 20 P 4.2287 0.0000 0.0000 62.9252 31.7697 176.0266 21 L 4.2195 8.3724 122.6552 54.3204 42.0990 177.9771 22 S 4.3524 9.0478 119.5700 58.3427 65.1076 175.2323 23 D 4.3624 8.5355 121.6122 57.2451 40.5085 179.2297 24 R 4.0002 7.8997 118.6347 59.1435 30.0545 178.7395 25 Q 3.9404 7.7589 118.1394 58.7296 28.7320 178.5352 26 I 3.6461 8.0486 121.0408 64.4177 37.0794 178.3519 27 A 4.1258 8.0679 120.9244 54.8468 18.2795 179.5551 28 A 3.9595 8.0179 119.6399 55.3628 18.5154 179.8908 29 Q 4.1023 7.9591 116.5080 59.1211 28.8011 178.8067 30 I 4.0253 8.0314 120.9304 64.1494 37.0567 178.2825 31 E 3.9832 8.6149 119.9735 59.5200 29.2589 178.4605 32 Y 4.1136 8.0086 119.2910 61.1544 38.8068 177.8997 33 M 4.0199 8.1158 118.9050 58.7863 32.3043 178.6455 34 I 3.6688 7.7251 119.3610 64.7009 37.1277 178.4288 35 E 3.8837 7.9546 117.8772 59.4642 29.3892 179.2134 36 Q 3.6520 7.5627 116.8919 56.7800 28.5552 177.4421 37 G 3.7965 7.1335 107.1896 44.8411 0.0000 173.5562 38 F 4.8764 7.1157 117.8201 57.6751 40.0784 174.6483 39 H 4.9041 8.9109 119.3931 53.9953 30.2900 173.2734 40 P 4.9958 0.0000 0.0000 62.6475 32.8457 175.2122 41 L 4.9465 8.9032 124.4836 53.6512 45.9237 174.6295 42 I 4.9305 8.5795 126.4548 60.0018 39.3199 174.4234 43 E 5.5270 9.2406 125.8179 54.5742 33.6305 174.8569 44 F 5.6975 8.8992 116.7946 55.5613 41.9392 173.0866 45 N 4.7090 8.5859 117.3932 52.0817 41.7788 175.4326 46 E 3.9111 8.7833 124.4138 58.8353 29.8699 176.4774 47 H 5.1585 7.6592 113.7442 54.0366 32.5712 173.6117 48 S 4.6160 8.1321 114.5882 56.3506 61.6593 171.1452 49 N 4.8205 7.9580 120.4422 50.4635 39.8767 174.8137 50 P 4.4025 0.0000 0.0000 65.4782 31.5834 177.5776 51 E 3.8040 7.6354 119.4148 58.6615 29.6583 176.6965 *64 E 3.9989 7.7213 115.6441 56.2565 30.6480 175.7398 65 F 4.5212 8.2963 120.8867 58.9902 39.6155 175.6784 66 Y 4.8567 7.7243 117.5362 55.9902 39.6232 175.2855 67 W 4.7669 8.8778 124.4490 55.6769 31.9577 175.2388 68 T 4.3065 8.0526 117.5579 62.4641 69.4936 174.5770 69 M 4.4463 8.4759 126.3696 55.2396 33.2240 175.2062 70 W 4.8227 9.3353 135.0000 55.9020 31.3500 176.9817 71 K 3.4219 8.5113 129.1712 57.5430 30.4889 178.3034 72 L 4.8627 8.2263 126.3308 52.5778 45.1775 173.8785 73 P 4.2330 0.0000 0.0000 62.8690 31.6102 177.7718 74 L 4.3168 8.1972 123.4512 53.8310 40.0797 176.9223 75 F 4.4078 8.2931 123.1962 60.9188 39.5163 177.2003 76 D 4.7685 7.9359 120.7260 51.5306 38.1956 174.8672 77 C 4.7250 8.2657 124.1282 58.0220 34.5300 175.1647 78 K 4.6155 8.2727 132.6698 53.0654 32.3597 175.3444 79 S 4.6120 7.5509 112.6132 55.9579 64.8708 176.5941 80 P 4.3864 0.0000 0.0000 65.2012 31.0391 178.3547 81 Q 4.0066 8.0618 117.8017 58.9417 28.9859 177.6245 82 Q 4.0170 8.0834 120.6827 59.1301 29.0777 178.6107 83 V 3.6272 7.7658 118.6290 66.1757 31.7686 177.9188 84 L 4.0843 8.0684 118.5822 57.7860 41.3165 179.3396 85 D 4.4072 8.7169 119.5452 57.3412 40.7276 178.5878 86 E 4.1492 8.1589 118.8965 59.2900 29.4018 179.5409 87 V 3.4239 7.9241 118.3823 65.8990 31.6315 178.2851 88 R 3.8160 7.9811 117.7889 59.3020 29.7969 178.7211 89 E 3.8898 8.2566 119.1373 59.2654 29.5511 178.4271 90 C 2.4500 7.7433 119.1909 61.7932 31.2181 175.5628 91 R 3.6144 7.7338 119.5158 59.0935 29.5895 178.4649 92 S 4.1194 7.3938 114.5600 61.4201 62.9389 175.7443 93 E 3.9000 7.3750 120.2623 57.6894 30.7998 176.0558 94 Y 4.9320 7.2498 116.0391 55.8620 38.8548 176.6247 95 G 3.6430 7.7516 109.5128 47.6521 0.0000 174.0215 96 D 4.6620 8.0504 118.3034 54.1758 39.7935 175.0422 97 C 4.9008 7.5386 116.4587 57.9688 32.0467 173.2966 98 Y 4.4547 8.7941 118.8951 58.1716 38.8317 175.0234 99 I 5.3899 9.2460 124.2509 59.6677 41.2265 174.5454 100 R 5.0002 9.3423 125.8018 54.6527 33.8899 173.6333 101 V 4.6784 8.2983 125.9161 61.3365 33.4213 174.3366 102 A 5.1102 8.9168 129.0345 50.0549 22.5460 174.7653 103 G 4.4306 8.5594 108.1555 44.4823 0.0000 172.2831 104 F 4.7906 8.8902 125.4887 55.9556 42.5549 173.3680 105 D 5.1174 8.1589 127.2954 53.3986 41.4948 176.4906 106 N 4.9925 9.1520 123.4808 54.2031 38.5046 176.6172 107 I 3.9423 8.0547 120.2910 64.4254 37.5680 177.3263 108 K 4.1015 8.2267 117.2726 56.2087 32.7006 176.1436 109 E 4.4059 7.8850 118.3752 56.1750 28.1605 173.4046 110 C 4.5733 6.6955 114.2844 56.9044 35.8360 173.1264 111 Q 4.1559 8.3895 126.2914 56.7626 28.4199 175.5448 112 T 4.1389 8.4493 117.6896 62.2404 70.3695 175.1707 113 V 4.5648 7.0412 120.5301 61.1924 35.6450 174.5361 114 S 4.7674 8.5340 115.4598 57.7115 64.8879 174.7402 115 F 5.1099 8.0434 121.9814 55.3785 41.5761 173.9526 116 I 4.3441 8.6961 122.3066 61.8594 37.4353 176.2996 117 V 4.4987 8.6830 118.0543 61.9163 33.2363 175.7219 118 H 4.7285 8.0153 120.6454 55.1390 33.0108 172.4100 119 R 4.3927 8.2146 124.8589 53.6401 31.7776 174.5480 120 P 4.3452 0.0000 0.0000 62.3966 32.3002 176.0438 121 G 3.4621 8.0353 108.4773 47.4368 0.0000 173.6820 122 R 4.2627 8.5420 125.3346 56.6287 31.0020 175.6290 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 S 8.32 4.45 0.00 4.00 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 3 M 8.13 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 4 K 9.14 4.43 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 T 8.24 4.09 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 6 L 8.40 4.11 0.00 1.60 1.60 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.41 4.25 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 E 8.36 4.56 0.00 1.84 1.70 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 2.17 2.29 0.00 10 R 8.57 3.85 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.43 0.00 11 R 7.76 4.56 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 F 8.25 4.85 0.00 3.12 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 13 E 8.46 3.62 0.00 2.18 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 2.28 2.22 0.00 14 T 8.34 3.91 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 0.33 0.00 0.00 15 F 9.02 4.48 0.00 3.32 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 16 S 8.19 4.61 0.00 4.28 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 0.00 17 Y 8.06 4.22 0.00 3.02 3.13 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 0.00 0.00 0.00 0.00 18 L 7.71 4.52 0.00 1.86 1.59 0.91 0.90 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 19 P 0.00 4.31 0.00 2.16 2.07 0.00 3.81 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 1.97 2.00 0.00 20 P 0.00 4.23 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.37 4.22 0.00 1.59 1.49 0.46 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 4.35 0.00 4.01 3.98 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 23 D 8.54 4.36 0.00 2.71 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 24 R 7.90 4.00 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.76 3.94 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.65 2.07 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 1.56 1.08 1.10 0.00 0.00 27 A 8.07 4.13 1.40 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 0.00 0.00 28 A 8.02 3.96 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.96 4.10 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.85 0.00 30 I 8.03 4.03 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 1.00 0.00 0.00 31 E 8.61 3.98 0.00 2.31 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 2.37 2.52 0.00 32 Y 8.01 4.11 0.00 3.14 3.33 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 33 M 8.12 4.02 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 34 I 7.73 3.67 1.99 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 1.91 1.35 0.91 0.00 0.00 35 E 7.95 3.88 0.00 1.92 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 2.31 2.48 0.00 36 Q 7.56 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 G 7.13 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 0.00 0.00 0.00 38 F 7.12 4.88 0.00 2.95 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 39 H 8.91 4.90 0.00 3.31 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.00 0.00 2.11 2.02 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 8.90 4.95 0.00 1.65 1.44 0.92 0.83 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 42 I 8.58 4.93 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.93 0.00 0.00 43 E 9.24 5.53 0.00 2.11 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 0.00 2.29 2.26 0.00 44 F 8.90 5.70 0.00 3.05 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 45 N 8.59 4.71 0.00 1.44 1.42 0.00 0.00 7.45 7.24 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 46 E 8.78 3.91 0.00 1.70 1.79 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 0.00 2.29 2.41 0.00 47 H 7.66 5.16 0.00 2.94 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.13 4.62 0.00 2.98 3.50 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 49 N 7.96 4.82 0.00 2.81 2.92 0.00 0.00 6.74 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 50 P 0.00 4.40 0.00 2.14 2.15 0.00 3.72 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 1.94 1.94 0.00 51 E 7.64 3.80 0.00 2.08 1.86 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 2.25 2.24 0.00 *64 E 7.72 4.00 0.00 2.02 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 2.16 2.23 0.00 65 F 8.30 4.52 0.00 2.32 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 0.00 0.00 0.00 0.00 66 Y 7.72 4.86 0.00 3.07 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 67 W 8.88 4.77 0.00 3.13 3.18 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 0.00 68 T 8.05 4.31 2.82 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 0.98 0.00 0.00 69 M 8.48 4.45 0.00 2.03 1.97 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 2.61 2.75 0.00 70 W 9.34 4.82 0.00 3.72 3.33 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 71 K 8.51 3.42 0.00 1.64 0.74 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.83 0.21 7.81 72 L 8.23 4.86 0.00 1.56 1.54 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 74 L 8.20 4.32 0.00 1.70 1.65 0.99 0.90 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 75 F 8.29 4.41 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 76 D 7.94 4.77 0.00 2.69 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 77 C 8.27 4.73 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 K 8.27 4.62 0.00 1.76 1.56 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 79 S 7.55 4.61 0.00 3.58 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 80 P 0.00 4.39 0.00 2.18 2.21 0.00 3.59 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 2.15 2.21 0.00 81 Q 8.06 4.01 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 82 Q 8.08 4.02 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 83 V 7.77 3.63 2.31 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.08 0.00 1.93 1.73 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.72 4.41 0.00 2.87 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 86 E 8.16 4.15 0.00 2.25 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 2.66 2.63 0.00 87 V 7.92 3.42 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 1.07 0.00 0.00 0.99 0.00 0.00 88 R 7.98 3.82 0.00 2.07 1.92 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 89 E 8.26 3.89 0.00 2.25 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 2.56 2.42 0.00 90 C 7.74 2.45 0.00 1.23 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 0.00 0.00 0.00 0.00 91 R 7.73 3.61 0.00 1.75 1.88 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 92 S 7.39 4.12 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 93 E 7.37 3.90 0.00 1.92 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 1.81 2.11 0.00 94 Y 7.25 4.93 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.64 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 0.00 0.00 0.00 96 D 8.05 4.66 0.00 2.83 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 97 C 7.54 4.90 0.00 3.15 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 98 Y 8.79 4.45 0.00 2.78 3.13 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 0.00 0.00 0.00 0.00 99 I 9.25 5.39 1.96 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 1.20 0.93 1.00 0.00 0.00 100 R 9.34 5.00 0.00 1.80 1.64 0.00 2.78 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 101 V 8.30 4.68 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 0.78 0.00 0.00 0.85 0.00 0.00 102 A 8.92 5.11 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 0.00 103 G 8.56 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 0.00 104 F 8.89 4.79 0.00 3.20 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 0.00 105 D 8.16 5.12 0.00 2.37 2.34 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 0.00 106 N 9.15 4.99 0.00 3.07 3.28 0.00 0.00 6.34 7.81 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 0.00 107 I 8.05 3.94 2.08 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 1.36 0.84 0.93 0.00 0.00 108 K 8.23 4.10 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 109 E 7.89 4.41 0.00 2.09 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 2.48 2.64 0.00 110 C 6.70 4.57 0.00 2.87 2.43 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 0.00 111 Q 8.39 4.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 112 T 8.45 4.14 3.60 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 0.61 0.00 0.00 113 V 7.04 4.56 2.28 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 1.37 0.00 0.00 1.17 0.00 0.00 114 S 8.53 4.77 0.00 3.75 3.58 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 0.00 0.00 0.00 115 F 8.04 5.11 0.00 3.33 3.33 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 0.00 116 I 8.70 4.34 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.05 0.00 0.00 117 V 8.68 4.50 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 0.84 0.00 0.00 1.02 0.00 0.00 118 H 8.02 4.73 0.00 3.14 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.39 0.00 1.47 1.44 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 120 P 0.00 4.35 0.00 1.88 1.90 0.00 2.53 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 1.60 1.36 0.00 121 G 8.04 3.46 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 0.00 122 R 8.54 4.26 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.