NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3257 8.3149 120.1418 55.4205 33.7804 175.4338 2 P 4.3324 0.0000 0.0000 61.7268 32.1719 176.4839 3 G 3.7143 8.9928 109.0680 47.4589 0.0000 175.5397 4 A 4.0727 7.9659 121.7052 55.0868 18.3840 178.8115 5 M 3.9613 7.5102 115.6459 57.2893 31.9350 176.8968 6 Y 4.9004 7.3412 113.2607 57.6125 40.9127 176.4758 7 R 4.2047 8.3806 117.6749 57.6039 29.9659 176.0075 8 N 5.1038 7.3358 116.6526 52.1773 40.8538 175.7172 9 S 4.6092 8.2747 118.4153 57.5245 61.5094 174.4042 10 S 4.6226 7.7187 112.6758 57.8675 64.7271 175.1683 11 K 4.4857 7.6463 120.0847 54.1307 33.6463 173.9682 12 P 4.5050 0.0000 0.0000 61.9810 32.0291 175.9993 13 A 4.3426 8.4253 122.7235 52.4219 18.7382 176.9043 14 Y 4.7712 8.7022 124.0424 55.8264 39.3477 175.1129 15 T 4.3957 8.0090 113.5070 60.5398 70.7945 174.6096 16 R 4.1883 7.6782 120.3970 56.0021 29.1023 177.2479 17 R 4.0389 8.3245 123.3669 58.0581 30.1352 178.8139 18 E 3.8871 7.8597 115.4729 57.9933 29.8808 177.3643 19 Y 4.9353 7.5540 115.3932 57.4165 39.1963 175.1368 20 I 4.7934 7.4458 120.4381 59.5042 40.7770 174.8680 21 S 4.6451 8.2892 117.1962 57.8268 65.9494 173.2940 22 G 3.7472 8.8098 107.2713 46.5927 0.0000 173.7019 23 I 4.0650 7.7178 120.8662 59.1959 37.4585 174.5630 24 P 4.3338 0.0000 0.0000 62.4745 31.7899 176.7607 25 G 3.7878 8.3028 110.1284 44.9111 0.0000 173.2467 26 K 4.1087 8.3479 122.0215 55.8365 32.7711 178.0915 27 K 4.0667 8.9924 124.8199 58.0413 32.4234 177.1448 28 I 3.8878 7.0942 120.9310 61.2023 36.9402 175.8546 29 A 4.1677 9.4409 129.9856 54.6401 18.5070 177.2290 30 Q 4.7852 7.5264 111.7480 54.5355 32.9396 174.9415 31 F 4.5223 8.9474 116.5635 57.3506 41.6561 174.7016 32 D 5.4071 8.3422 118.1096 52.8332 43.5026 174.9421 33 M 4.7591 9.3444 122.8392 54.3041 36.2897 176.4566 34 G 3.2406 8.6643 106.2403 45.8551 0.0000 175.3663 35 N 4.5910 8.2881 115.1578 52.5182 36.9231 175.2274 36 N 4.7127 8.3493 118.5653 53.7838 38.3899 177.4970 37 G 3.5847 8.0873 107.9605 47.9456 0.0000 173.9167 38 A 4.4755 7.4400 120.4335 50.7962 20.2971 176.3553 39 G 4.0784 8.0368 107.9630 42.9629 0.0000 171.0996 40 P 4.1233 0.0000 0.0000 62.7172 30.5130 176.5333 41 T 4.4930 7.5473 104.4287 61.4752 69.7518 175.0323 42 Y 4.5547 7.8862 118.5713 57.0228 39.6222 174.3250 43 P 4.3774 0.0000 0.0000 65.4143 31.9746 176.5494 44 A 5.5836 8.2018 120.0142 49.8494 21.3976 175.7685 45 Q 4.6505 8.5397 121.9760 53.4014 31.6851 174.0392 46 V 4.7691 8.0326 126.1294 61.7709 34.2858 174.1002 47 E 5.1305 10.4190 123.0183 54.6188 34.5670 174.5652 48 L 4.1122 7.8497 125.8060 53.6347 43.3670 175.3349 49 V 4.5127 8.8984 128.9454 61.0686 32.9761 175.3752 50 V 3.9591 8.3557 128.8631 63.2379 32.4349 175.9572 51 E 4.7170 8.5103 124.6290 56.1468 30.3823 176.2222 52 K 4.5204 7.7137 118.5322 54.1481 36.2615 173.9956 53 P 4.4243 0.0000 0.0000 63.5197 31.8844 175.7473 54 V 4.5730 8.5978 114.7270 60.9254 36.9228 172.3472 55 Q 5.1212 8.5733 120.2407 54.4339 31.2613 176.0608 56 I 4.4774 8.7542 124.0454 59.1859 40.3337 175.4856 57 R 4.4364 8.6640 127.1432 56.2486 30.6958 177.7813 58 H 4.2934 8.8952 118.6973 58.7103 28.0665 177.6945 59 N 4.0882 7.8767 118.7938 56.3424 38.4517 176.8755 60 A 3.9998 8.2955 122.4828 55.0065 18.3647 179.5394 61 L 3.8888 7.8058 116.9691 57.9456 41.7786 178.9294 62 E 3.8460 8.0862 118.7996 59.5759 29.4047 178.9344 63 A 4.0751 8.0349 120.2585 54.9681 18.4961 179.4707 64 A 3.9985 8.3603 119.9231 55.0739 18.5091 179.9076 65 R 3.8869 8.9241 117.9269 59.4281 30.1396 178.7028 66 V 3.5701 8.3108 118.2613 66.1548 31.2653 177.5885 67 A 3.7367 7.7504 120.2063 55.1499 18.0607 179.3754 68 A 4.1426 7.5691 119.1006 54.1730 18.9856 179.1052 69 N 3.9244 8.1749 114.0274 56.9434 39.2289 176.3472 70 R 3.9799 8.4071 119.4197 60.0647 30.2465 177.2993 71 Y 4.2021 7.5727 118.7386 59.9269 38.4511 177.4706 72 V 3.4122 7.6796 116.8712 62.2190 31.4352 176.6462 73 Q 4.3128 7.5437 118.8595 56.4146 28.2188 175.5057 74 N 4.6652 7.4456 113.7742 53.2430 40.8327 174.2222 75 S 4.4958 7.5637 111.3614 58.1124 64.7331 174.9259 76 G 3.9441 8.2781 108.2839 45.0910 0.0000 174.4802 77 A 4.1233 8.6293 124.9475 54.3974 18.3914 177.8985 78 A 4.6502 7.6614 117.4316 51.4795 19.6379 175.9011 79 A 4.2150 8.1404 122.9948 54.1174 19.0210 179.0552 80 N 4.7733 8.2846 119.2157 51.6751 37.6669 173.1396 81 Y 4.6812 6.9680 119.0959 55.4818 41.5479 173.3096 82 K 5.0511 8.3409 119.0794 55.3264 35.7390 174.6871 83 F 5.8888 9.3501 127.5353 56.9230 42.0275 174.7024 84 R 5.2948 9.2622 123.8551 54.3377 34.7551 173.9569 85 I 4.5086 8.6220 125.0542 58.2507 38.2621 175.5128 86 R 4.5203 8.4280 123.3849 56.8518 29.7707 176.4988 87 K 4.8059 7.4415 118.0607 54.8145 34.4051 175.5385 88 F 4.7891 8.4938 120.1857 54.8095 41.8916 174.8874 89 P 4.6703 0.0000 0.0000 63.1776 28.9242 175.8818 90 F 4.4110 8.1902 125.1098 61.1973 39.8840 175.8965 91 H 4.4434 8.1186 122.5089 56.5726 30.3755 174.7445 92 V 4.4562 8.6309 127.1592 62.6639 32.5339 175.2250 93 I 4.7125 9.1926 120.2956 59.0580 40.7912 174.5629 94 R 5.0759 8.2263 120.2551 53.9929 32.6756 174.1030 95 E 4.6084 8.3157 117.5417 55.3672 33.3334 173.9619 96 N 4.7315 8.8524 126.0983 52.1364 38.1076 174.2319 97 K 4.7057 7.7831 126.7434 54.6645 31.9890 176.4481 *109 D 4.4117 7.6267 118.6409 54.8088 42.8556 172.7162 110 G 4.2213 8.3713 113.8157 45.4404 0.0000 172.5324 111 M 4.4726 8.3869 121.0641 54.3390 33.9431 176.4889 112 R 3.8499 7.9643 119.5587 57.5527 31.3901 176.2710 113 A 3.7940 8.3402 125.4872 52.9099 15.5874 174.8080 114 P 5.3493 0.0000 0.0000 61.4374 32.7581 176.8472 115 F 3.9062 8.3578 122.2169 58.6840 39.2916 174.8280 116 G 3.9691 8.0576 115.7692 45.9872 0.0000 171.6835 117 K 4.8092 8.7129 119.0175 54.0112 35.0409 174.2218 118 P 4.4779 0.0000 0.0000 63.9662 31.1366 176.1965 119 V 4.3021 8.7856 116.4446 61.0711 34.3537 175.3810 120 G 4.0647 7.0555 105.2937 46.2767 0.0000 172.0096 121 T 5.3623 7.8123 107.9817 59.9935 72.5038 172.8065 122 A 5.1115 9.4492 123.3692 50.5267 23.3390 174.7567 123 A 4.6393 8.9071 122.7631 50.6263 21.2791 176.6649 124 R 4.7714 8.6865 121.6016 55.3337 31.1025 175.9617 125 V 4.4134 8.4954 124.9311 61.3562 34.0898 174.8783 126 H 4.7430 8.9526 124.5022 54.1931 30.0650 174.9298 127 G 3.7694 8.3883 111.0875 47.4253 0.0000 173.6709 128 A 3.9365 9.5847 128.5354 51.5375 18.0330 177.8862 129 N 4.7498 7.9217 113.3401 52.9538 40.3465 173.8515 130 H 4.9667 8.1509 116.9566 54.3563 29.4301 174.5776 131 I 3.7918 8.3576 124.7728 62.6851 39.2079 175.4652 132 F 5.1443 7.7095 119.0424 55.5320 42.9871 174.4903 133 I 5.1878 9.2726 122.1715 59.6819 40.9893 174.1770 134 A 5.4012 9.0233 127.9123 49.8622 22.8495 174.6143 135 W 4.9597 8.9857 120.1807 54.7628 32.3019 175.2617 136 V 4.8136 9.1932 123.2794 60.3540 34.6832 174.1672 137 N 5.0080 8.9251 119.6965 51.6919 39.8972 173.0078 138 P 4.5095 0.0000 0.0000 62.6419 30.4840 176.9339 139 D 4.6912 7.4529 123.6804 52.3174 41.7132 176.1932 140 P 4.4731 0.0000 0.0000 62.9997 29.3848 176.6370 141 N 4.6654 7.8941 119.4396 53.8837 39.5355 176.7300 142 V 3.0811 7.3226 120.7836 64.7323 31.0352 177.9841 143 E 3.9009 7.8944 117.4942 58.6783 29.3814 178.1038 144 E 4.1018 8.0761 118.7123 58.0326 30.0437 177.8561 145 A 3.8946 7.8420 120.4803 53.8598 18.4227 178.6972 146 W 4.9215 7.8129 116.1202 57.6533 29.7307 178.0538 147 R 4.0901 7.5910 118.4201 58.2152 29.7476 177.1712 148 R 4.2110 7.7898 114.6217 57.2356 31.2278 177.5251 149 A 4.1837 7.9478 121.1826 54.7830 18.9318 179.0830 150 K 4.4676 7.8013 110.8354 57.8017 32.3036 177.4103 151 M 4.2158 7.8089 119.6941 56.8724 32.6017 176.6674 152 K 4.5973 8.1174 116.1280 55.8662 32.9466 175.9003 153 V 4.5081 7.4424 111.4759 59.4416 34.3450 175.4327 154 T 3.9136 8.6152 119.8459 66.6270 68.5019 173.0921 155 P 4.4534 0.0000 0.0000 62.9341 32.3831 175.7635 156 T 4.4166 8.0978 115.2877 63.4477 69.9603 173.9140 157 I 5.0661 8.0910 123.2356 59.7293 41.9083 173.8667 158 N 4.8611 9.3128 122.8783 52.0405 41.0926 173.5840 159 I 4.4832 8.4901 127.6212 60.4797 37.3293 174.2973 160 D 4.9599 9.4756 128.2613 52.4265 43.4544 174.7359 161 S 4.5177 8.7041 120.0949 58.4495 63.8204 171.3566 162 S 4.3025 9.3789 124.3043 59.1970 63.2206 173.8429 163 P 4.4364 0.0000 0.0000 63.7427 32.3288 175.8112 164 A 4.9466 7.9331 124.7494 52.0598 19.9921 175.6325 165 G 4.1235 8.6252 110.2937 46.0470 0.0000 172.6003 166 N 4.6572 8.0076 117.0264 51.4388 37.3622 175.1672 167 A 4.3013 7.5895 124.1192 52.2385 19.2239 177.4060 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 K 8.31 4.33 0.00 1.90 1.87 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.56 7.81 2 P 0.00 4.33 0.00 2.21 1.94 0.00 3.56 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 2.08 2.13 0.00 3 G 8.99 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 0.00 0.00 0.00 4 A 7.97 4.07 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 5 M 7.51 3.96 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 6 Y 7.34 4.90 0.00 3.00 2.84 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 7 R 8.38 4.20 0.00 2.02 2.36 0.00 2.75 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 8 N 7.34 5.10 0.00 2.83 2.76 0.00 0.00 6.89 7.45 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 9 S 8.27 4.61 0.00 3.82 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 10 S 7.72 4.62 0.00 3.95 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 11 K 7.65 4.49 0.00 1.84 1.81 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.46 7.81 12 P 0.00 4.51 0.00 2.14 2.08 0.00 3.73 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 2.09 2.12 0.00 13 A 8.43 4.34 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 14 Y 8.70 4.77 0.00 2.94 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 15 T 8.01 4.40 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 1.33 0.00 0.00 16 R 7.68 4.19 0.00 2.05 2.23 0.00 3.57 0.00 0.00 3.33 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 17 R 8.32 4.04 0.00 1.80 1.92 0.00 3.12 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 18 E 7.86 3.89 0.00 1.50 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 1.63 1.47 0.00 19 Y 7.55 4.94 0.00 2.90 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 20 I 7.45 4.79 1.78 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.96 0.00 0.00 21 S 8.29 4.65 0.00 3.92 3.78 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 22 G 8.81 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 0.00 0.00 0.00 23 I 7.72 4.06 1.87 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 1.42 0.60 0.90 0.00 0.00 24 P 0.00 4.33 0.00 2.00 2.00 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 25 G 8.30 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.35 4.11 0.00 1.81 1.74 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.69 1.52 7.81 27 K 8.99 4.07 0.00 1.77 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.53 7.81 28 I 7.09 3.89 1.85 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 1.08 0.43 0.14 0.00 0.00 29 A 9.44 4.17 1.27 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 0.00 0.00 30 Q 7.53 4.79 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 31 F 8.95 4.52 0.00 3.04 3.06 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 0.00 0.00 0.00 32 D 8.34 5.41 0.00 2.63 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 33 M 9.34 4.76 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 34 G 8.66 3.24 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 0.00 0.00 0.00 0.00 35 N 8.29 4.59 0.00 2.77 2.80 0.00 0.00 7.20 6.67 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 36 N 8.35 4.71 0.00 2.86 2.99 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.09 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 0.00 0.00 0.00 38 A 7.44 4.48 1.28 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 0.00 0.00 0.00 39 G 8.04 4.08 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 0.00 0.00 0.00 40 P 0.00 4.12 0.00 1.64 0.82 0.00 3.44 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 1.43 1.05 0.00 41 T 7.55 4.49 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 1.15 0.00 0.00 42 Y 7.89 4.55 0.00 3.24 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 43 P 0.00 4.38 0.00 2.13 2.17 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 44 A 8.20 5.58 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 45 Q 8.54 4.65 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.06 1.33 0.00 46 V 8.03 4.77 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 1.22 0.00 0.00 0.88 0.00 0.00 47 E 10.42 5.13 0.00 1.82 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 2.09 2.36 0.00 48 L 7.85 4.11 0.00 0.27 0.90 0.70 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.90 4.51 2.15 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 0.93 0.00 0.00 0.91 0.00 0.00 50 V 8.36 3.96 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 0.87 0.00 0.00 0.87 0.00 0.00 51 E 8.51 4.72 0.00 1.97 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 2.24 2.36 0.00 52 K 7.71 4.52 0.00 1.67 1.64 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 4.42 0.00 1.94 1.74 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 54 V 8.60 4.57 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 0.79 0.00 0.00 0.96 0.00 0.00 55 Q 8.57 5.12 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 I 8.75 4.48 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.89 0.00 0.00 57 R 8.66 4.44 0.00 1.87 1.86 0.00 3.07 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 58 H 8.90 4.29 0.00 3.35 3.55 0.00 5.27 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.88 4.09 0.00 2.74 2.84 0.00 0.00 7.05 7.80 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 60 A 8.30 4.00 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 61 L 7.81 3.89 0.00 1.72 1.57 0.79 0.85 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 62 E 8.09 3.85 0.00 2.04 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 0.00 2.35 2.38 0.00 63 A 8.03 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.00 1.60 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 0.00 0.00 65 R 8.92 3.89 0.00 2.18 1.98 0.00 3.19 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 66 V 8.31 3.57 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 0.98 0.00 0.00 1.01 0.00 0.00 67 A 7.75 3.74 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 68 A 7.57 4.14 1.56 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 0.00 0.00 69 N 8.17 3.92 0.00 3.08 2.96 0.00 0.00 7.24 7.23 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 70 R 8.41 3.98 0.00 1.86 2.08 0.00 3.34 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 71 Y 7.57 4.20 0.00 3.15 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 72 V 7.68 3.41 1.56 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 0.24 0.00 0.00 -0.18 0.00 0.00 73 Q 7.54 4.31 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.45 4.67 0.00 1.99 2.35 0.00 0.00 7.11 7.63 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 75 S 7.56 4.50 0.00 3.92 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 76 G 8.28 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 77 A 8.63 4.12 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 78 A 7.66 4.65 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 79 A 8.14 4.22 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.77 0.00 2.77 2.90 0.00 0.00 6.81 7.54 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 81 Y 6.97 4.68 0.00 3.09 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 82 K 8.34 5.05 0.00 2.02 2.10 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.65 7.81 83 F 9.35 5.89 0.00 3.38 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 84 R 9.26 5.29 0.00 2.06 1.95 0.00 3.41 0.00 0.00 3.48 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 85 I 8.62 4.51 1.33 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.50 0.47 0.00 0.00 86 R 8.43 4.52 0.00 1.94 2.14 0.00 3.14 0.00 0.00 3.48 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 87 K 7.44 4.81 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.45 7.81 88 F 8.49 4.79 0.00 2.11 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 0.00 0.00 0.00 0.00 89 P 0.00 4.67 0.00 2.13 2.08 0.00 3.78 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 1.93 2.00 0.00 90 F 8.19 4.41 0.00 3.16 3.15 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 91 H 8.12 4.44 0.00 3.33 3.44 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.63 4.46 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 0.95 0.00 0.00 0.97 0.00 0.00 93 I 9.19 4.71 1.33 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.23 0.88 0.00 0.00 94 R 8.23 5.08 0.00 1.58 1.71 0.00 2.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.08 0.00 95 E 8.32 4.61 0.00 2.21 1.82 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 2.31 2.35 0.00 96 N 8.85 4.73 0.00 2.93 2.67 0.00 0.00 6.83 6.50 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 97 K 7.78 4.71 0.00 1.90 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 *109 D 7.63 4.41 0.00 2.70 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 0.00 110 G 8.37 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 0.00 0.00 0.00 0.00 111 M 8.39 4.47 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 112 R 7.96 3.85 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 113 A 8.34 3.79 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 0.00 114 P 0.00 5.35 0.00 2.20 2.20 0.00 3.45 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 115 F 8.36 3.91 0.00 2.97 3.06 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 0.00 0.00 0.00 116 G 8.06 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 0.00 117 K 8.71 4.81 0.00 1.84 1.95 0.00 1.38 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.40 7.81 118 P 0.00 4.48 0.00 2.15 2.14 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 119 V 8.79 4.30 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 0.79 0.00 0.00 0.82 0.00 0.00 120 G 7.06 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.81 5.36 4.40 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 1.17 0.00 0.00 122 A 9.45 5.11 1.22 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 0.00 0.00 123 A 8.91 4.64 1.27 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 0.00 0.00 124 R 8.69 4.77 0.00 1.77 1.95 0.00 3.14 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 125 V 8.50 4.41 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 1.02 0.00 0.00 0.89 0.00 0.00 126 H 8.95 4.74 0.00 3.44 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 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 0.00 128 A 9.58 3.94 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 0.00 129 N 7.92 4.75 0.00 2.78 2.67 0.00 0.00 6.56 7.49 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 0.00 130 H 8.15 4.97 0.00 3.02 3.22 0.00 5.52 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 0.00 131 I 8.36 3.79 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.02 0.82 0.00 0.00 132 F 7.71 5.14 0.00 2.38 2.61 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 0.00 133 I 9.27 5.19 1.68 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 1.16 0.92 -0.24 0.00 0.00 134 A 9.02 5.40 1.05 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 0.00 135 W 8.99 4.96 0.00 3.09 2.50 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 0.00 136 V 9.19 4.81 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 0.69 0.00 0.00 0.92 0.00 0.00 137 N 8.93 5.01 0.00 2.72 2.87 0.00 0.00 6.96 8.02 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 0.00 138 P 0.00 4.51 0.00 2.05 2.07 0.00 3.73 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 2.06 2.13 0.00 139 D 7.45 4.69 0.00 2.57 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 0.00 140 P 0.00 4.47 0.00 2.03 1.92 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 141 N 7.89 4.67 0.00 2.53 2.69 0.00 0.00 6.74 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 0.00 142 V 7.32 3.08 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 0.54 0.00 0.00 -0.22 0.00 0.00 143 E 7.89 3.90 0.00 1.87 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 2.35 2.38 0.00 144 E 8.08 4.10 0.00 2.00 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 0.00 1.99 1.73 0.00 145 A 7.84 3.89 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 0.00 146 W 7.81 4.92 0.00 3.42 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 0.00 147 R 7.59 4.09 0.00 1.71 1.87 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 148 R 7.79 4.21 0.00 1.89 1.88 0.00 2.97 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 149 A 7.95 4.18 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 0.00 150 K 7.80 4.47 0.00 1.89 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.50 7.81 151 M 7.81 4.22 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 152 K 8.12 4.60 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.36 7.81 153 V 7.44 4.51 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 0.79 0.00 0.00 0.94 0.00 0.00 154 T 8.62 3.91 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 0.00 155 P 0.00 4.45 0.00 2.15 2.04 0.00 3.63 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 1.97 1.96 0.00 156 T 8.10 4.42 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 1.24 0.00 0.00 157 I 8.09 5.07 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.82 0.00 0.00 158 N 9.31 4.86 0.00 2.84 2.73 0.00 0.00 7.49 8.04 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 0.00 159 I 8.49 4.48 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 1.20 0.00 0.00 160 D 9.48 4.96 0.00 2.68 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 0.00 161 S 8.70 4.52 0.00 3.94 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 0.00 162 S 9.38 4.30 0.00 3.95 3.69 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 0.00 163 P 0.00 4.44 0.00 2.33 2.12 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 7.93 4.95 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 0.00 165 G 8.63 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 0.00 0.00 0.00 166 N 8.01 4.66 0.00 2.74 2.81 0.00 0.00 7.00 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 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.