NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.4458 8.3149 120.1332 56.2496 33.6817 174.4882 22 E 4.5199 9.0407 122.2626 53.5026 31.9640 173.8259 23 Q 3.9523 9.4739 127.0048 56.6508 29.8070 174.5600 24 L 4.2559 9.0627 127.2763 55.9316 41.7459 175.8683 25 Y 4.9710 7.5264 114.9572 56.8113 43.0113 174.0809 26 T 4.9092 8.6384 112.0314 60.4504 71.5583 173.7423 27 G 3.9486 8.5995 106.3191 46.4918 0.0000 173.7639 28 L 4.3705 7.7648 119.5048 53.5474 42.7760 177.0929 29 T 4.3928 8.1470 112.2093 61.4453 70.7824 175.3346 30 E 3.9337 8.6671 121.1668 59.5193 29.4057 179.7160 31 K 3.9371 7.9392 118.9579 59.5514 32.4632 178.5982 32 E 3.9905 8.1593 118.6134 59.3429 29.3161 179.2455 33 A 3.9334 8.1372 120.7796 55.2710 18.3987 179.4065 34 N 4.2437 8.3978 115.2876 56.5638 38.6060 177.7625 35 Q 3.9202 8.2301 119.5077 59.1678 28.8191 178.6801 36 M 3.4233 7.6581 119.6647 58.0063 31.8272 178.5195 37 Q 3.8651 8.2429 119.8259 59.2595 29.2631 178.3672 38 A 3.9348 8.1426 121.9216 54.8212 18.0988 179.2646 39 L 3.8795 7.8465 118.8805 58.3174 42.1955 179.3223 40 L 3.9786 7.9219 118.7111 57.8849 41.7242 179.3391 41 L 4.0088 8.1119 119.3768 57.9724 41.3668 179.7557 42 S 4.3250 8.1452 112.5350 60.3221 62.9727 175.0832 43 N 4.8108 7.3936 118.9847 52.2453 39.1973 173.9048 44 D 4.3402 7.8379 117.4049 55.3983 40.2372 173.1890 45 V 4.2608 7.5857 116.8310 60.7645 33.1291 174.9020 46 N 4.7486 8.8299 127.1658 53.1219 39.0239 173.6303 47 V 4.8449 8.2684 125.5025 59.6904 34.2771 175.0779 48 S 4.8930 9.0809 116.9866 56.4594 66.6009 172.5575 49 K 5.1518 8.5771 121.2482 54.8237 35.1324 175.0120 50 E 4.7831 9.0754 125.0378 54.7881 33.7388 174.1322 51 M 4.9340 8.6555 123.3655 54.3478 34.1270 175.6096 52 D 4.7981 8.8982 126.0868 51.8656 41.6859 177.2016 53 K 4.0113 8.4474 117.5042 59.3758 32.0079 178.1394 54 S 4.3046 8.0754 111.3342 58.4301 62.3853 174.6887 55 G 3.9834 8.1891 107.9342 45.7802 0.0000 173.5995 56 N 4.8920 7.9476 116.8136 53.1623 40.5748 173.7709 57 M 5.2004 8.9088 120.2618 54.0203 35.5134 175.0748 58 T 5.1770 8.9240 118.6636 61.8550 71.8214 173.0438 59 L 5.2604 8.8119 125.9611 53.3421 44.3917 175.7942 60 S 5.2199 9.0004 117.5045 57.1336 67.7510 173.3456 61 V 5.1490 9.0324 113.7371 58.0401 36.4443 174.9214 62 A 4.3042 8.6330 123.4912 52.2174 19.0449 178.5401 63 A 3.9393 9.0224 122.8257 55.5128 18.2044 180.1859 64 A 4.1246 8.0550 117.1616 54.2841 18.7390 178.2258 65 D 4.7613 8.0478 116.2094 54.0250 41.4400 178.0383 66 F 3.9529 8.0842 123.1930 61.2972 39.4804 176.9975 67 V 3.5959 7.9680 117.2462 66.1468 31.3270 177.7111 68 R 3.8623 8.0017 117.5913 59.3044 29.9442 178.0558 69 A 3.9118 8.2200 120.8955 55.3047 18.2983 179.7399 70 I 3.5667 7.4946 118.2272 64.5419 37.0359 178.7554 71 T 3.8538 7.8881 116.5842 66.7849 68.2046 176.6864 72 I 3.7236 7.8934 121.6262 64.3075 37.0415 178.5598 73 L 4.1507 8.0650 119.7561 57.9700 41.5153 179.2345 74 N 4.3471 8.5186 116.7333 56.6310 38.3060 177.2819 75 N 4.4689 8.3136 116.4592 55.4748 38.5770 176.1950 76 N 4.9023 7.6586 115.8213 52.4192 39.0168 175.3165 77 G 3.7285 7.7833 107.7624 46.0044 0.0000 173.6068 78 F 4.9514 8.0602 117.7637 54.4722 41.0137 174.2151 79 P 4.7511 0.0000 0.0000 61.9001 32.1331 176.2032 80 K 4.1648 8.8587 120.2127 56.2305 32.4726 177.7480 81 K 4.0130 8.2643 122.5670 55.9893 32.7335 176.5534 82 K 4.2573 8.0146 121.0700 55.4638 33.0542 176.4800 83 F 4.7899 8.3869 120.9740 54.7259 42.0225 174.9939 84 A 3.9042 8.6636 124.4800 53.2092 18.5952 177.0989 85 D 4.6960 8.4545 121.6164 52.6641 43.0767 177.0914 86 I 3.5621 8.1285 126.7115 64.3528 37.7724 177.4725 87 E 4.0463 8.6058 119.2810 58.6098 29.0250 179.4116 88 V 3.6062 7.4499 117.5166 65.9966 31.9006 177.6538 89 I 3.7440 7.5462 118.1838 62.7012 38.0315 176.4109 90 F 5.0117 7.7317 118.2582 55.1186 38.7585 172.7112 91 P 4.9298 0.0000 0.0000 62.5859 31.8488 177.5283 *98 S 4.1713 7.7791 113.2043 57.5894 64.3273 172.3199 99 P 4.1793 0.0000 0.0000 66.2380 31.0143 179.0045 100 S 4.0222 7.8741 114.2914 61.3798 62.9723 176.3063 101 Q 3.1440 7.5117 122.2268 58.6790 28.6582 177.6861 102 E 3.8709 8.2451 120.6452 59.4428 29.7121 178.6558 103 N 4.3290 8.2093 116.2747 56.0024 38.5049 177.3115 104 A 4.0363 7.8327 122.2268 55.1586 18.3933 179.8997 105 K 4.0786 7.9625 116.6130 59.5592 32.1196 179.6959 106 I 3.7092 7.9783 120.2921 64.3931 36.9301 178.0172 107 N 4.3250 8.3211 117.9200 56.7053 38.7468 176.3563 108 Y 4.2824 8.2931 121.0775 60.6442 38.8647 177.5450 109 L 3.7229 8.2110 121.4942 58.0980 42.1037 178.9644 110 K 3.8753 8.0165 119.3892 59.4413 32.0645 178.4660 111 E 3.9078 8.3004 119.0881 59.7443 29.3245 179.5402 112 Q 3.8245 7.9259 117.8831 58.8778 28.6968 178.4615 113 D 4.2931 8.2246 120.1934 57.4216 40.7574 179.0140 114 I 3.7272 7.8905 120.3091 64.3400 37.1529 178.2112 115 E 3.9198 8.3728 119.7628 59.4341 29.0415 179.4714 116 R 3.8602 7.9590 117.8947 59.1713 30.4434 178.1176 117 L 4.0672 7.9093 120.0285 58.3572 42.2358 179.0597 118 L 4.0553 8.2190 119.1132 57.6956 41.3056 179.3374 119 S 4.3239 7.9552 113.6224 60.2814 62.8460 175.7610 120 K 4.2917 7.7897 120.1910 56.3929 32.4401 177.0738 121 I 3.8380 7.3159 122.3384 60.1672 37.4216 173.8399 122 P 4.4488 0.0000 0.0000 64.2215 31.7774 176.4479 123 G 3.9796 9.0378 111.0883 45.2539 0.0000 173.2281 124 V 4.2226 7.4553 120.3318 62.6159 31.7112 175.3741 125 I 4.4933 8.3408 120.1331 60.9833 39.0663 174.7767 126 D 4.6924 7.8039 120.8778 53.9352 44.5648 173.2703 127 C 5.1887 8.3408 121.9462 58.3725 34.8314 173.1112 128 S 4.9432 9.3337 121.4373 56.7180 66.5574 173.0521 129 V 4.7739 8.8881 123.6711 61.0532 34.0837 174.4664 130 S 4.8735 9.1899 122.7258 56.6252 64.7035 172.3560 131 L 4.8556 9.1013 127.7089 53.1205 43.8084 176.2115 132 N 4.7791 9.0952 122.0384 51.8332 40.5608 172.8603 133 V 4.5540 8.3988 124.7943 59.1470 32.7446 173.2399 *140 P 4.2505 0.0000 0.0000 62.4577 31.7233 176.6998 141 S 4.7847 8.3713 119.4179 58.5709 64.4365 173.0154 142 S 4.8359 9.0916 115.0618 57.2664 67.0418 172.6325 143 A 5.1243 9.0119 120.6508 50.3678 22.8664 174.8912 144 A 5.0662 9.0137 122.9903 50.0562 22.1527 175.5430 145 V 4.7286 8.8460 121.9973 61.0205 35.0039 173.7392 146 L 5.1473 8.9506 130.3381 53.2041 44.6517 174.9363 147 V 4.7736 8.8056 126.1842 61.1752 34.5048 173.9153 148 I 4.9044 8.7583 129.4089 59.9236 38.9917 175.0781 149 S 5.2297 8.7453 121.9990 56.1912 66.0510 173.6484 150 S 4.3450 8.9113 116.5152 58.2727 62.7029 173.7990 151 P 4.3337 0.0000 0.0000 65.0400 31.2639 177.0556 152 E 4.4830 7.9481 115.7940 55.8222 29.7737 175.7847 153 V 4.2760 7.4855 118.5095 60.8173 34.0839 174.2856 154 N 4.6696 8.7280 125.5216 52.5419 38.8855 174.1462 155 L 4.4563 8.2945 124.8745 54.6436 42.7810 178.3964 156 A 3.9839 7.9916 122.5434 54.8801 18.0548 177.8248 157 P 4.4294 0.0000 0.0000 64.3868 31.7521 177.7194 158 S 4.5872 8.0192 113.9638 58.4316 62.9878 175.9085 159 V 3.5778 7.5813 122.8115 66.1749 31.2829 178.0128 160 I 3.7131 7.6839 119.0245 64.3686 37.0163 178.2810 161 Q 4.0061 7.9959 118.4571 58.9744 28.6084 178.7110 162 I 3.7036 7.9255 120.8420 64.2819 37.0761 178.4489 163 K 3.8953 8.2677 119.5657 59.8477 31.9294 179.1590 164 N 4.3716 8.2892 116.4521 56.0436 38.1721 177.6116 165 L 3.9508 7.8036 119.8177 57.6886 42.0756 179.3901 166 V 3.6894 7.8962 118.1599 65.8039 31.5649 177.5928 167 K 3.7982 8.2364 119.7901 59.7915 31.7984 177.5584 168 N 4.7847 7.8100 112.4964 54.0174 38.8370 176.6309 169 S 4.4200 7.7652 116.6592 58.6132 63.5945 174.2400 170 V 4.3855 6.7965 119.3369 60.2399 34.1254 174.5316 171 D 4.2131 8.7935 126.3135 55.7684 42.1529 175.5262 172 D 4.3052 8.7255 125.3399 55.6656 39.4086 172.6623 173 L 4.9220 7.6712 119.0211 53.1831 44.9224 175.1468 174 K 4.6418 8.2603 124.6556 54.3235 34.7535 177.0487 175 L 3.9833 8.6357 121.8311 58.1492 41.6150 179.5753 176 E 4.1446 8.1385 114.1115 58.3011 30.0188 176.7700 177 N 5.0035 8.2449 117.3432 52.9867 40.0857 173.8146 178 I 4.9478 7.6405 119.6123 59.7076 39.7604 175.1859 179 S 4.7063 8.8983 123.7723 56.9461 64.7890 173.3385 180 V 4.7237 8.4209 124.4869 61.0868 33.6249 174.5064 181 V 4.4428 8.9133 128.5550 61.0905 34.0475 174.0392 182 I 5.0135 8.4311 128.0834 59.4870 39.5658 175.0774 183 K 4.6584 8.9341 125.7135 54.4704 35.8704 175.5801 184 S 4.8807 8.9594 119.2993 57.1462 62.6763 174.3145 185 S 4.3709 8.7781 121.7866 60.8366 63.3482 174.5466 186 S 4.2883 7.7333 119.2983 58.5437 62.6755 173.8348 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 21 K 8.31 4.45 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 22 E 9.04 4.52 0.00 2.00 1.76 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 2.16 2.22 0.00 23 Q 9.47 3.95 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 24 L 9.06 4.26 0.00 1.75 1.54 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.53 4.97 0.00 2.96 2.79 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 26 T 8.64 4.91 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 1.27 0.00 0.00 27 G 8.60 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.76 4.37 0.00 1.83 1.59 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.15 4.39 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 30 E 8.67 3.93 0.00 2.04 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 2.41 2.38 0.00 31 K 7.94 3.94 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 32 E 8.16 3.99 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 33 A 8.14 3.93 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 34 N 8.40 4.24 0.00 2.90 2.86 0.00 0.00 7.09 8.59 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 35 Q 8.23 3.92 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 36 M 7.66 3.42 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.48 0.00 37 Q 8.24 3.87 0.00 2.15 2.21 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 2.33 2.35 0.00 38 A 8.14 3.93 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 39 L 7.85 3.88 0.00 1.83 1.80 0.97 0.64 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 40 L 7.92 3.98 0.00 1.82 1.67 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.11 4.01 0.00 1.70 1.72 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.15 4.32 0.00 4.03 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 43 N 7.39 4.81 0.00 2.80 2.85 0.00 0.00 6.90 7.79 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 44 D 7.84 4.34 0.00 2.81 2.71 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 45 V 7.59 4.26 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 0.77 0.00 0.00 0.97 0.00 0.00 46 N 8.83 4.75 0.00 2.86 2.72 0.00 0.00 6.35 7.37 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 47 V 8.27 4.84 2.06 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 0.85 0.00 0.00 0.94 0.00 0.00 48 S 9.08 4.89 0.00 3.85 3.96 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 49 K 8.58 5.15 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.56 7.81 50 E 9.08 4.78 0.00 1.92 1.76 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 2.21 2.22 0.00 51 M 8.66 4.93 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 52 D 8.90 4.80 0.00 2.91 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 0.00 53 K 8.45 4.01 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.37 7.81 54 S 8.08 4.30 0.00 3.86 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 55 G 8.19 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 0.00 0.00 0.00 56 N 7.95 4.89 0.00 2.90 2.74 0.00 0.00 6.96 7.66 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 57 M 8.91 5.20 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 58 T 8.92 5.18 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 1.23 0.00 0.00 59 L 8.81 5.26 0.00 1.64 1.56 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.00 5.22 0.00 3.73 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 61 V 9.03 5.15 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 0.97 0.00 0.00 1.02 0.00 0.00 62 A 8.63 4.30 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 63 A 9.02 3.94 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 64 A 8.06 4.12 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 65 D 8.05 4.76 0.00 2.84 2.69 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 66 F 8.08 3.95 0.00 3.21 3.10 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 0.00 0.00 0.00 67 V 7.97 3.60 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 1.06 0.00 0.00 68 R 8.00 3.86 0.00 1.92 2.03 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 69 A 8.22 3.91 1.24 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 70 I 7.49 3.57 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.30 0.87 0.00 0.00 71 T 7.89 3.85 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 1.21 0.00 0.00 72 I 7.89 3.72 1.98 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 1.53 1.00 0.93 0.00 0.00 73 L 8.06 4.15 0.00 1.91 2.01 1.02 0.50 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 74 N 8.52 4.35 0.00 2.93 2.89 0.00 0.00 7.09 6.60 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 75 N 8.31 4.47 0.00 2.93 2.90 0.00 0.00 7.00 7.55 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 76 N 7.66 4.90 0.00 2.96 2.99 0.00 0.00 7.05 7.59 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 77 G 7.78 3.73 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 0.00 0.00 0.00 78 F 8.06 4.95 0.00 3.13 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 79 P 0.00 4.75 0.00 1.94 1.58 0.00 3.61 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.76 0.00 80 K 8.86 4.16 0.00 1.74 1.77 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.52 7.81 81 K 8.26 4.01 0.00 1.03 1.09 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.33 7.81 82 K 8.01 4.26 0.00 1.59 1.65 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 83 F 8.39 4.79 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.66 3.90 1.24 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 85 D 8.45 4.70 0.00 2.73 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 86 I 8.13 3.56 1.56 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.34 0.18 0.00 0.00 87 E 8.61 4.05 0.00 2.11 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 2.26 2.46 0.00 88 V 7.45 3.61 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 0.82 0.00 0.00 0.90 0.00 0.00 89 I 7.55 3.74 1.34 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.04 0.00 0.00 90 F 7.73 5.01 0.00 3.15 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 91 P 0.00 4.93 0.00 2.19 2.15 0.00 3.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 *98 S 7.78 4.17 0.00 3.89 3.72 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 0.00 0.00 0.00 0.00 99 P 0.00 4.18 0.00 2.26 2.27 0.00 3.72 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 2.04 2.04 0.00 100 S 7.87 4.02 0.00 3.79 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 0.00 101 Q 7.51 3.14 0.00 1.43 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.10 1.63 0.00 102 E 8.25 3.87 0.00 2.18 2.01 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 2.28 2.37 0.00 103 N 8.21 4.33 0.00 2.92 2.83 0.00 0.00 6.93 7.08 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 0.00 104 A 7.83 4.04 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 0.00 105 K 7.96 4.08 0.00 2.00 1.93 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 106 I 7.98 3.71 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.91 0.00 0.00 107 N 8.32 4.33 0.00 3.01 3.04 0.00 0.00 6.87 6.89 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 0.00 108 Y 8.29 4.28 0.00 3.18 3.17 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 0.00 109 L 8.21 3.72 0.00 1.81 1.84 0.91 0.97 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 0.00 110 K 8.02 3.88 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 111 E 8.30 3.91 0.00 2.11 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 2.38 2.53 0.00 112 Q 7.93 3.82 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 113 D 8.22 4.29 0.00 2.80 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 0.00 114 I 7.89 3.73 1.95 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 1.50 0.83 0.89 0.00 0.00 115 E 8.37 3.92 0.00 2.08 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 2.30 2.46 0.00 116 R 7.96 3.86 0.00 1.82 2.10 0.00 3.24 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 117 L 7.91 4.07 0.00 1.84 1.79 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.22 4.06 0.00 1.69 1.69 0.90 0.93 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 0.00 119 S 7.96 4.32 0.00 4.02 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 0.00 120 K 7.79 4.29 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.66 7.81 121 I 7.32 3.84 1.97 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 1.29 0.62 0.91 0.00 0.00 122 P 0.00 4.45 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 123 G 9.04 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 0.00 0.00 0.00 124 V 7.46 4.22 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 0.84 0.00 0.00 1.00 0.00 0.00 125 I 8.34 4.49 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.92 0.00 0.00 126 D 7.80 4.69 0.00 2.73 2.47 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 0.00 127 C 8.34 5.19 0.00 2.96 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 0.00 128 S 9.33 4.94 0.00 3.69 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 0.00 129 V 8.89 4.77 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 0.72 0.00 0.00 0.90 0.00 0.00 130 S 9.19 4.87 0.00 3.86 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 0.00 131 L 9.10 4.86 0.00 1.69 1.55 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 132 N 9.10 4.78 0.00 2.76 2.81 0.00 0.00 6.52 7.36 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 0.00 133 V 8.40 4.55 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 0.99 0.00 0.00 0.93 0.00 0.00 *140 P 0.00 4.25 0.00 2.24 2.10 0.00 3.82 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 1.88 1.99 0.00 141 S 8.37 4.78 0.00 3.95 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 0.00 142 S 9.09 4.84 0.00 3.92 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 0.00 143 A 9.01 5.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 9.01 5.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.85 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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154 N 8.73 4.67 0.00 2.71 2.72 0.00 0.00 7.07 7.78 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 0.00 155 L 8.29 4.46 0.00 1.74 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.99 3.98 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 0.00 157 P 0.00 4.43 0.00 2.03 2.11 0.00 3.70 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 2.02 2.16 0.00 158 S 8.02 4.59 0.00 3.99 3.86 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 0.00 159 V 7.58 3.58 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 1.11 0.00 0.00 0.97 0.00 0.00 160 I 7.68 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.91 0.00 0.00 161 Q 8.00 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 162 I 7.93 3.70 2.00 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 1.51 0.70 0.90 0.00 0.00 163 K 8.27 3.90 0.00 2.02 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 164 N 8.29 4.37 0.00 2.86 2.86 0.00 0.00 7.08 6.02 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 0.00 165 L 7.80 3.95 0.00 1.77 1.72 0.91 0.70 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 0.00 166 V 7.90 3.69 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 0.99 0.00 0.00 167 K 8.24 3.80 0.00 1.94 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 168 N 7.81 4.78 0.00 2.84 2.83 0.00 0.00 7.13 7.60 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 0.00 169 S 7.77 4.42 0.00 3.98 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 0.00 170 V 6.80 4.39 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 0.76 0.00 0.00 0.98 0.00 0.00 171 D 8.79 4.21 0.00 2.65 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 0.00 172 D 8.73 4.31 0.00 2.88 2.62 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 0.00 173 L 7.67 4.92 0.00 1.57 1.50 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.26 4.64 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 175 L 8.64 3.98 0.00 1.74 1.74 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.14 4.14 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 177 N 8.24 5.00 0.00 2.81 2.82 0.00 0.00 6.61 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 0.00 178 I 7.64 4.95 1.86 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 1.22 0.78 0.90 0.00 0.00 179 S 8.90 4.71 0.00 3.76 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 0.00 180 V 8.42 4.72 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 0.77 0.00 0.00 0.92 0.00 0.00 181 V 8.91 4.44 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 1.00 0.00 0.00 0.92 0.00 0.00 182 I 8.43 5.01 1.86 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 1.33 0.77 0.96 0.00 0.00 183 K 8.93 4.66 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.47 7.81 184 S 8.96 4.88 0.00 3.88 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 0.00 185 S 8.78 4.37 0.00 3.94 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 0.00 186 S 7.73 4.29 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.