NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.9317 8.3549 109.7350 44.9595 0.0000 173.1138 24 I 3.6891 7.9421 119.9612 59.7680 37.7787 175.0657 25 D 4.3806 9.3157 124.8301 53.7182 43.5018 175.3428 26 P 4.5614 0.0000 0.0000 65.8266 31.4046 178.7887 27 F 4.6516 8.3906 116.9694 60.6836 38.7964 177.9315 28 T 3.9187 7.9573 115.1812 66.4210 68.2162 176.5451 29 V 3.5188 7.8004 120.1871 66.2264 31.4725 178.2445 30 R 4.1411 8.0146 118.9171 59.1089 29.7630 179.2484 31 T 3.9365 7.7374 115.0101 66.6223 68.1814 177.0845 32 R 3.7835 7.6691 119.3274 58.9862 30.2670 178.8588 33 V 3.3068 7.8802 118.4352 65.9545 31.4746 178.1980 34 S 4.1950 8.5004 115.3494 61.6324 62.7466 176.3207 35 E 4.1578 8.1995 121.2821 59.6435 29.0169 179.6924 36 G 3.8731 7.9867 105.4652 47.2463 0.0000 175.4071 37 L 4.1465 7.8993 120.7733 57.6517 41.7663 179.5606 38 V 3.6032 7.7336 117.8001 65.8527 31.2376 177.8531 39 L 4.0565 7.6790 118.5316 57.5779 42.2354 178.0561 40 A 4.1704 7.7186 119.1559 53.2237 18.6875 178.9172 41 E 3.7069 7.8111 117.8020 59.0611 29.3346 177.6799 42 P 4.3227 0.0000 0.0000 65.0340 31.4702 178.2697 43 A 3.1315 6.9866 119.3475 54.4772 18.3164 179.3547 44 K 3.9476 7.3481 116.5027 59.3020 32.0641 179.8280 45 L 4.1065 7.6678 117.6413 55.7475 41.8206 178.5630 *47 I 4.1210 7.7126 119.7133 60.9752 39.1495 177.8974 48 S 4.1564 8.3239 113.7945 61.3778 62.2861 175.2298 49 T 4.2910 7.9104 108.6458 63.3119 69.1132 174.9628 50 D 4.8318 8.1103 117.0531 53.4659 42.8147 175.7336 51 G 4.1881 8.4769 107.8117 45.0613 0.0000 174.0757 52 S 4.6561 8.0057 110.4114 57.4057 64.0245 174.6234 53 A 4.1921 8.0544 124.5058 54.6855 18.9154 178.0398 54 S 4.5782 7.3908 108.7216 56.8227 66.4878 176.4440 55 T 3.8307 8.2894 118.9636 66.7401 68.1674 176.6109 56 A 3.9977 7.9754 122.1492 55.3455 18.3871 179.3197 57 D 4.3069 8.1754 117.3609 57.4255 40.9379 178.7380 58 L 4.2011 7.9982 122.2139 57.8328 42.0163 179.2682 59 T 3.8983 8.1375 115.9190 66.5597 68.3412 176.7299 60 R 3.8918 8.1829 120.4548 59.3388 30.0508 178.3967 61 A 4.0628 8.4877 121.0402 55.4051 18.3969 179.5901 62 T 3.9182 8.0700 114.2245 67.2560 68.4255 176.9136 63 T 3.9218 7.9292 117.3772 66.8862 68.2617 176.8694 64 T 3.9140 8.0413 116.6798 66.3560 68.9042 176.1418 65 W 4.2097 8.6093 130.4775 60.7603 30.7691 177.8450 66 N 4.4727 8.4519 115.8958 55.9903 37.7419 177.2310 67 Q 4.1424 7.8218 119.4391 57.3371 29.0692 176.4699 68 Q 3.7709 7.1099 119.0613 56.6599 29.8793 175.7544 69 S 3.7028 9.0835 111.8883 59.8645 60.7904 171.7645 70 N 4.1512 8.5607 108.7217 54.8033 35.9606 174.9039 71 N 5.0271 7.7623 109.2440 54.1028 36.9377 175.4668 72 L 4.4451 7.7142 116.3443 54.1513 42.4890 177.8266 73 G 3.9852 9.8451 112.1957 45.5824 0.0000 173.5659 74 A 4.4394 7.1770 120.8870 50.7827 21.9878 174.9693 75 S 4.8839 7.9924 113.3606 58.0439 65.9504 173.4650 76 S 4.4566 8.3506 113.7226 57.7639 65.4393 175.4268 77 K 3.8860 8.5742 120.3842 59.2016 31.9640 177.3027 78 Y 4.8757 7.7875 114.5545 57.6213 39.7043 174.8678 79 V 4.5172 7.3131 119.3838 61.3742 33.2253 176.4565 80 T 4.0863 8.9465 126.1890 66.4785 68.8331 175.1104 81 S 5.0823 7.4430 112.7536 58.2550 66.5064 174.3350 82 V 4.6325 8.9141 121.2897 61.6458 33.6743 173.1238 83 L 5.3237 8.6419 133.4293 53.6710 45.9738 175.0185 *85 D 4.5246 8.6183 119.5718 54.9167 42.0736 177.2196 86 A 4.1009 8.7379 128.7988 54.5942 18.6511 178.0279 87 G 3.9109 8.5967 104.4362 45.3406 0.0000 173.5319 88 N 4.3182 8.0534 115.3326 54.4256 36.1421 175.6076 89 T 4.0085 8.0980 108.9260 62.3327 69.4938 175.6785 90 G 3.9027 8.2140 109.8908 44.9602 0.0000 173.5175 91 V 4.0044 7.2733 120.4721 62.9674 32.3101 175.1570 92 I 4.7054 9.0995 129.1618 60.0573 39.5705 174.5325 93 T 5.0063 8.9138 123.9550 61.9679 70.9352 173.3371 94 I 4.6668 8.7479 128.1235 60.0849 39.2889 174.7011 95 T 4.9678 8.6394 124.3954 62.0935 70.2706 173.4809 96 Y 4.7777 9.0847 124.5781 56.4873 40.7779 175.8972 97 V 3.9026 8.8418 122.6275 62.0001 30.9048 176.4847 98 A 3.9914 8.8370 131.5563 55.2756 18.2157 178.7759 99 D 4.5730 8.0251 111.5077 54.5337 40.0968 176.9033 100 Q 4.3861 8.0032 118.8139 57.5509 29.7120 177.1248 101 V 3.4639 7.7346 116.6112 64.7098 31.8964 176.6021 102 G 4.0341 8.1034 108.3241 45.7757 0.0000 173.1669 103 L 4.3733 7.3415 117.6235 51.2809 44.6075 174.9068 104 P 4.3963 0.0000 0.0000 62.7223 31.9060 177.6874 105 T 3.7567 8.6288 115.3613 64.6014 67.2972 174.6376 106 A 4.6693 8.0706 120.7199 51.7359 20.1146 176.7363 107 G 4.4114 8.0327 107.4124 45.9066 0.0000 174.4785 108 N 5.1426 8.0492 111.9044 52.2092 39.8315 174.6781 109 T 5.4092 8.4162 109.3084 60.4317 72.1533 172.7473 110 L 5.3249 8.9792 122.6657 53.1414 45.6913 175.2847 111 I 4.9562 8.5640 122.2147 59.5577 40.3186 174.4795 112 L 5.2217 9.2593 127.1169 53.2570 44.1153 175.4882 113 S 5.0938 9.3684 121.4640 56.0598 65.4565 171.8272 114 P 4.2006 0.0000 0.0000 61.6591 33.2946 174.3452 115 Y 5.0292 8.6223 118.4909 56.4670 42.9209 174.0398 116 I 4.7599 8.7847 123.4661 60.0005 39.6756 174.1676 117 N 5.3153 9.3194 126.7529 51.9584 40.1878 174.4949 118 D 4.6109 8.4128 125.3882 53.2050 39.9375 176.1848 119 G 4.2149 8.6716 110.6742 45.9693 0.0000 174.9126 120 N 4.8619 8.8074 115.1563 53.6731 41.4291 174.3757 121 T 4.6986 7.7447 110.4159 60.4961 71.3649 172.5964 122 R 5.1166 8.4298 124.8096 54.9560 32.1759 175.6191 123 T 4.8349 8.7058 116.8079 59.6843 71.2020 172.7387 124 A 3.6996 8.8613 128.5817 52.6959 19.0819 177.7231 125 L 3.6596 8.4236 124.1268 58.5038 42.2062 179.6693 126 A 3.9744 7.7725 119.6815 55.4496 18.4316 179.6434 127 T 3.7883 7.7325 113.4582 66.6612 68.6236 176.7060 128 A 3.9791 8.1222 122.8873 55.1953 18.5269 179.9128 129 V 3.4883 8.2592 116.9804 66.0130 31.3798 178.0561 130 A 3.9936 7.7236 119.0748 54.9509 18.3126 178.8078 131 A 4.2531 7.7554 116.6948 52.2284 18.8343 178.2070 132 G 3.8110 7.6359 104.6696 46.2700 0.0000 173.9049 133 T 4.0135 7.9622 117.0131 63.1687 68.7471 174.6100 134 R 4.4936 8.7379 125.5564 54.1105 31.8857 176.8646 135 G 3.8780 7.6193 106.7536 46.3155 0.0000 171.4068 136 T 4.6179 7.4274 109.1626 60.3425 71.7155 173.5858 137 I 4.8635 8.2137 122.9744 60.0507 38.7423 174.9085 138 D 5.2850 9.2408 127.0260 52.3518 43.9253 175.2310 139 W 5.2500 9.0256 120.8017 54.8559 32.2832 174.5157 140 A 4.1477 8.7669 126.1602 50.0980 20.8866 174.4925 141 C 5.4340 8.6266 122.5691 55.0027 47.1169 172.4438 142 T 4.9662 9.0664 116.4110 59.9755 71.7095 173.1581 143 S 5.2467 8.4004 119.1055 57.6330 65.8985 174.9075 144 A 4.4712 9.0438 119.4921 53.6901 18.8279 178.1448 145 S 4.8807 8.3309 109.5196 56.6385 66.1269 173.6398 146 N 4.8622 8.2567 115.2212 51.7494 37.8766 176.7227 147 A 4.0324 8.2440 123.3413 56.4570 18.4976 180.1268 148 T 3.8291 8.4494 114.4105 66.7799 68.6446 176.8631 149 A 4.2019 8.0393 122.1815 55.5805 18.4104 179.5857 150 T 4.0114 8.0746 113.9390 66.9164 68.3536 176.7935 151 A 4.0966 8.0356 121.2704 54.8196 18.4579 178.7651 152 Q 4.2612 7.9161 114.2800 56.2519 29.0848 176.9283 153 G 3.7953 7.9040 108.9324 45.0052 0.0000 173.9257 154 F 4.1855 7.8181 118.4623 56.9415 39.6734 175.1289 155 T 4.6131 8.0531 112.9350 60.8789 71.6060 173.2818 156 G 3.6190 8.6564 111.4493 46.1687 0.0000 172.5526 *158 A 4.0704 7.7293 126.5400 51.7772 19.9389 176.0265 159 A 4.5411 8.3333 122.2748 51.1227 20.6132 178.4588 160 G 4.2952 8.2186 109.3384 45.7522 0.0000 173.5103 161 S 4.9269 9.0993 111.5056 57.4048 65.6304 174.3799 162 V 4.6077 7.8367 122.0220 62.0394 32.2675 173.7153 163 P 4.6437 0.0000 0.0000 62.3568 32.1926 177.2846 164 Q 3.9765 8.7606 119.9594 59.2500 28.5017 178.4308 165 E 3.9694 7.8921 114.6391 57.8254 30.0033 177.0832 166 F 4.9034 8.2211 117.7814 57.1248 39.7329 174.6180 167 A 4.8193 7.5354 124.4642 49.3507 20.8482 175.4761 168 P 4.4749 0.0000 0.0000 62.0507 32.4544 177.0960 169 A 3.9922 8.8140 122.1768 55.6089 18.1077 179.8002 170 Q 4.2200 8.0918 110.9012 58.0900 28.8766 177.1883 171 C 5.2787 8.0217 114.2538 56.0537 37.7975 174.0562 172 R 4.1631 7.8716 125.1325 56.4047 29.7274 176.1879 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 G 8.35 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 24 I 7.94 3.69 1.77 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 1.26 0.65 0.84 0.00 0.00 25 D 9.32 4.38 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 26 P 0.00 4.56 0.00 1.86 2.06 0.00 3.32 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 1.89 2.25 0.00 27 F 8.39 4.65 0.00 3.13 2.94 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 28 T 7.96 3.92 4.38 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 1.18 0.00 0.00 29 V 7.80 3.52 2.30 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 0.73 0.00 0.00 0.78 0.00 0.00 30 R 8.01 4.14 0.00 2.18 2.01 0.00 3.36 0.00 0.00 3.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 31 T 7.74 3.94 4.47 0.00 0.00 0.00 0.00 0.00 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 32 R 7.67 3.78 0.00 1.52 1.16 0.00 2.77 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.43 0.00 33 V 7.88 3.31 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 0.80 0.00 0.00 0.54 0.00 0.00 34 S 8.50 4.20 0.00 4.07 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 35 E 8.20 4.16 0.00 2.35 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 2.41 2.54 0.00 36 G 7.99 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 0.00 0.00 0.00 37 L 7.90 4.15 0.00 1.90 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.73 3.60 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 1.01 0.00 0.00 0.99 0.00 0.00 39 L 7.68 4.06 0.00 1.91 1.87 0.95 0.89 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 40 A 7.72 4.17 1.14 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 41 E 7.81 3.71 0.00 2.10 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 2.42 2.46 0.00 42 P 0.00 4.32 0.00 2.39 2.27 0.00 3.89 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 2.17 2.21 0.00 43 A 6.99 3.13 -0.33 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 44 K 7.35 3.95 0.00 1.67 1.66 0.00 1.35 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.72 7.81 45 L 7.67 4.11 0.00 1.75 1.79 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *47 I 7.71 4.12 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.98 0.00 0.00 48 S 8.32 4.16 0.00 3.93 4.13 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 49 T 7.91 4.29 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 1.26 0.00 0.00 50 D 8.11 4.83 0.00 2.67 2.70 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 51 G 8.48 4.19 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 0.00 52 S 8.01 4.66 0.00 3.92 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 53 A 8.05 4.19 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 54 S 7.39 4.58 0.00 4.00 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 55 T 8.29 3.83 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 56 A 7.98 4.00 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 D 8.18 4.31 0.00 2.89 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 58 L 8.00 4.20 0.00 1.90 1.82 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.14 3.90 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 1.22 0.00 0.00 60 R 8.18 3.89 0.00 1.98 2.10 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 61 A 8.49 4.06 1.43 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 62 T 8.07 3.92 4.47 0.00 0.00 0.00 0.00 0.00 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 63 T 7.93 3.92 4.42 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 1.23 0.00 0.00 64 T 8.04 3.91 4.47 0.00 0.00 0.00 0.00 0.00 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 65 W 8.61 4.21 0.00 3.49 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 66 N 8.45 4.47 0.00 2.97 2.89 0.00 0.00 7.13 7.53 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 67 Q 7.82 4.14 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.78 0.00 68 Q 7.11 3.77 0.00 1.74 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.27 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 69 S 9.08 3.70 0.00 3.78 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 70 N 8.56 4.15 0.00 2.86 2.84 0.00 0.00 7.24 8.00 0.00 0.00 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 N 7.76 5.03 0.00 2.82 2.90 0.00 0.00 6.82 7.72 0.00 0.00 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 7.71 4.45 0.00 1.79 1.62 0.92 0.82 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 73 G 9.85 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 0.00 0.00 0.00 74 A 7.18 4.44 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 75 S 7.99 4.88 0.00 4.02 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 76 S 8.35 4.46 0.00 3.93 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 77 K 8.57 3.89 0.00 1.44 1.16 0.00 1.53 0.00 0.00 1.20 0.00 0.00 2.81 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.91 1.27 7.81 78 Y 7.79 4.88 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.31 4.52 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 0.87 0.00 0.00 0.84 0.00 0.00 80 T 8.95 4.09 4.35 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 1.20 0.00 0.00 81 S 7.44 5.08 0.00 3.96 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 82 V 8.91 4.63 2.39 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 1.06 0.00 0.00 0.95 0.00 0.00 83 L 8.64 5.32 0.00 1.65 1.55 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *85 D 8.62 4.52 0.00 2.82 2.59 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 86 A 8.74 4.10 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 87 G 8.60 3.91 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 0.00 0.00 0.00 88 N 8.05 4.32 0.00 2.89 2.96 0.00 0.00 6.89 7.02 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 89 T 8.10 4.01 4.17 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 0.00 0.00 1.19 0.00 0.00 90 G 8.21 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 91 V 7.27 4.00 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 0.84 0.00 0.00 0.86 0.00 0.00 92 I 9.10 4.71 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.68 0.81 0.00 0.00 93 T 8.91 5.01 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 94 I 8.75 4.67 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.34 0.00 0.00 95 T 8.64 4.97 4.20 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 1.23 0.00 0.00 96 Y 9.08 4.78 0.00 2.99 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 97 V 8.84 3.90 2.20 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 0.98 0.00 0.00 1.05 0.00 0.00 98 A 8.84 3.99 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 99 D 8.03 4.57 0.00 2.78 2.80 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 0.00 100 Q 8.00 4.39 0.00 2.35 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 101 V 7.73 3.46 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 0.47 0.00 0.00 1.07 0.00 0.00 102 G 8.10 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 0.00 0.00 0.00 103 L 7.34 4.37 0.00 1.52 1.59 0.73 0.80 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 0.00 104 P 0.00 4.40 0.00 2.28 2.00 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 105 T 8.63 3.76 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 0.00 106 A 8.07 4.67 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 0.00 107 G 8.03 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 0.00 0.00 0.00 0.00 108 N 8.05 5.14 0.00 2.97 3.02 0.00 0.00 5.61 7.22 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 0.00 109 T 8.42 5.41 4.31 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 1.27 0.00 0.00 110 L 8.98 5.32 0.00 1.74 1.65 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.56 4.96 1.91 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 1.32 1.24 0.95 0.00 0.00 112 L 9.26 5.22 0.00 1.58 1.70 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.37 5.09 0.00 3.82 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 0.00 114 P 0.00 4.20 0.00 1.20 0.49 0.00 3.27 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 115 Y 8.62 5.03 0.00 2.98 2.94 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 0.00 116 I 8.78 4.76 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0.00 0.00 0.00 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 L 8.42 3.66 0.00 1.52 1.43 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.77 3.97 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 0.00 127 T 7.73 3.79 4.35 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 1.20 0.00 0.00 128 A 8.12 3.98 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 0.00 129 V 8.26 3.49 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 1.06 0.00 0.00 1.00 0.00 0.00 130 A 7.72 3.99 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 0.00 131 A 7.76 4.25 1.34 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 0.00 0.00 132 G 7.64 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 0.00 0.00 0.00 133 T 7.96 4.01 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 1.21 0.00 0.00 134 R 8.74 4.49 0.00 1.79 1.84 0.00 3.53 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 135 G 7.62 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 0.00 136 T 7.43 4.62 4.28 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 1.23 0.00 0.00 137 I 8.21 4.86 1.95 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 1.29 0.62 0.61 0.00 0.00 138 D 9.24 5.29 0.00 2.80 2.96 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 0.00 0.00 0.00 139 W 9.03 5.25 0.00 3.09 3.04 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 0.00 0.00 0.00 0.00 140 A 8.77 4.15 0.46 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 0.00 141 C 8.63 5.43 0.00 3.01 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 0.00 142 T 9.07 4.97 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 1.23 0.00 0.00 143 S 8.40 5.25 0.00 4.18 4.01 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 0.00 144 A 9.04 4.47 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 0.00 145 S 8.33 4.88 0.00 3.99 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 0.00 146 N 8.26 4.86 0.00 2.93 3.00 0.00 0.00 5.81 7.42 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 0.00 147 A 8.24 4.03 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 0.00 148 T 8.45 3.83 4.34 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 1.25 0.00 0.00 149 A 8.04 4.20 1.30 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 0.00 0.00 0.00 150 T 8.07 4.01 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 151 A 8.04 4.10 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 0.00 152 Q 7.92 4.26 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.54 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 153 G 7.90 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 0.00 154 F 7.82 4.19 0.00 3.06 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 0.00 155 T 8.05 4.61 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 1.20 0.00 0.00 156 G 8.66 3.62 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 0.00 0.00 0.00 *158 A 7.73 4.07 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 0.00 159 A 8.33 4.54 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 0.00 160 G 8.22 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 0.00 0.00 0.00 0.00 161 S 9.10 4.93 0.00 3.93 4.07 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 0.00 162 V 7.84 4.61 2.11 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 0.95 0.00 0.00 0.95 0.00 0.00 163 P 0.00 4.64 0.00 2.30 1.97 0.00 3.91 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 164 Q 8.76 3.98 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 165 E 7.89 3.97 0.00 1.78 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 1.47 1.49 0.00 166 F 8.22 4.90 0.00 3.18 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 0.00 167 A 7.54 4.82 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 0.00 168 P 0.00 4.47 0.00 2.43 2.20 0.00 3.73 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 2.08 1.97 0.00 169 A 8.81 3.99 1.34 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 0.00 0.00 170 Q 8.09 4.22 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 171 C 8.02 5.28 0.00 3.08 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 0.00 172 R 7.87 4.16 0.00 1.84 1.82 0.00 3.15 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.