NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4209 8.1727 120.0966 56.2414 34.6393 173.6719 3 K 4.8207 10.1019 125.4890 54.4171 34.5164 173.2561 4 I 4.7811 8.8670 128.6425 59.5205 40.5739 174.1793 5 L 4.9794 8.3272 128.2879 53.2414 43.5772 174.6925 6 I 4.0395 8.6783 127.8649 60.7524 38.1176 175.5320 7 V 4.5187 8.5337 129.3332 61.5365 32.6042 173.8410 8 D 4.9256 8.7948 127.4964 52.6436 45.0068 175.0531 9 D 5.3306 8.8791 123.7050 52.8725 39.9880 176.0030 10 E 4.5432 8.7068 119.6862 54.1623 32.0789 175.8023 11 K 3.8635 8.7137 125.3695 59.3638 32.1934 176.0687 12 P 4.6578 0.0000 0.0000 66.1418 31.2952 178.5757 13 I 3.8535 7.7769 117.6032 64.4724 37.0268 178.3749 14 S 4.2127 8.6232 114.4212 61.2740 62.1387 175.7880 15 D 4.4779 9.2966 122.8070 57.5296 40.6431 178.9654 16 I 3.7726 7.9026 119.9213 64.4749 37.1498 178.4424 17 I 3.8046 7.8927 120.5286 64.4797 36.5198 178.2109 18 K 3.9153 8.4143 120.5888 59.5896 32.0633 178.3654 19 F 4.1782 8.5936 120.7631 61.5760 39.3787 176.5074 20 N 4.3589 8.6007 115.9176 56.9419 38.4254 177.2620 21 M 4.2963 8.6999 120.1511 58.6523 31.9497 178.9680 22 T 4.2212 7.5760 114.8319 65.8136 68.6071 177.0420 23 K 3.6898 7.3833 119.1793 59.5092 32.0634 177.9598 24 E 3.9111 7.8995 116.8306 57.4470 29.5461 177.1788 25 G 3.8049 8.1939 106.4983 46.1507 0.0000 172.9766 26 Y 4.6635 7.7111 116.6206 56.4767 39.3804 175.3097 27 E 4.2051 8.8868 123.4423 56.3356 31.1528 175.6584 28 V 4.7469 8.2996 125.3135 61.1578 34.1763 174.4577 29 V 4.4067 9.0341 128.6331 61.5796 33.4764 174.2849 30 T 4.8732 8.4061 117.1962 59.8195 70.6660 173.3161 31 A 4.5624 8.4597 126.8131 49.9969 22.2073 176.5672 32 F 5.1659 9.5963 116.8701 56.1027 40.4384 175.3935 33 N 4.8972 7.5340 117.8669 50.9389 40.4712 175.0625 34 G 3.7609 8.4365 106.4837 46.2606 0.0000 175.7708 35 R 4.0001 8.8277 121.9997 59.3451 30.2241 177.6101 36 E 3.8799 8.7018 117.5964 59.5040 29.4713 178.8496 37 A 3.9684 8.1496 120.4043 55.6565 18.5649 179.7611 38 L 4.1779 7.7125 116.5008 57.9049 41.7448 179.7999 39 E 4.0143 8.1437 118.6616 59.3546 29.6783 179.0325 40 Q 3.9554 8.7790 120.0145 58.9370 29.2502 177.6381 41 F 4.2578 8.7913 122.1347 61.6587 39.1730 177.0203 42 E 3.3389 7.8118 116.0226 58.5247 29.3424 178.4387 43 A 4.2554 7.5260 119.4331 53.2667 19.1240 177.6181 44 E 4.3590 7.8163 113.2930 55.8764 31.7167 176.9905 45 Q 3.0272 7.5447 110.9603 56.7209 27.1709 172.4659 46 P 4.5482 0.0000 0.0000 63.3784 32.6397 177.1853 47 D 4.6235 8.4765 119.2973 56.8345 41.5618 176.4332 48 I 4.7416 7.5347 116.7287 59.5689 42.3279 173.5205 49 I 4.8654 8.6436 126.4477 59.6298 40.1566 175.0036 50 I 4.6026 8.1091 127.8502 60.1658 39.5729 175.1465 51 L 4.7156 8.1030 125.0260 53.7748 45.0209 174.7884 52 D 4.7820 10.3367 127.9008 53.1536 41.8215 176.6360 53 L 3.0260 7.6225 124.0898 54.5122 41.4379 174.4696 *59 D 4.3054 8.3052 127.0125 53.6680 41.1037 175.7098 60 G 3.9677 8.5724 114.0949 47.2227 0.0000 172.9086 61 L 4.0390 7.5833 121.1293 57.6819 41.4078 179.2601 62 E 3.9050 8.4284 118.6265 59.3443 29.4075 179.1393 63 V 3.8053 7.8239 117.7491 66.2415 31.3764 177.4654 64 A 3.8343 7.7288 119.4933 55.1644 18.4135 179.3248 65 K 3.7321 8.0786 117.5845 60.0082 32.0299 178.8194 66 T 4.0455 8.7127 113.2152 64.5168 67.6465 176.3017 67 I 3.5007 7.7695 122.4600 64.3455 36.8930 178.5178 68 R 4.2752 7.7976 118.4602 57.9761 29.9226 178.5409 69 K 4.2637 7.4427 115.9899 58.1749 32.1699 177.4419 70 T 4.6902 7.7782 112.6639 62.9978 70.7303 173.7286 71 S 4.6686 7.7617 114.2973 57.3525 65.1424 174.1245 72 S 4.7103 8.5681 119.3624 57.6480 63.3039 174.2663 73 V 3.4581 7.7764 120.2163 60.9902 31.4225 174.2242 74 P 4.3376 0.0000 0.0000 62.9211 32.4747 175.2249 75 I 4.7310 8.3335 125.2474 59.6106 40.0706 174.8050 76 L 4.7314 8.4828 126.6443 53.4901 45.0043 174.8931 77 M 4.1804 8.8848 127.8264 55.0347 33.3862 174.8735 78 L 5.4567 7.8271 125.3538 52.7111 44.3843 175.8040 79 S 4.5869 7.9510 113.4856 57.5225 65.1131 175.7931 80 A 4.4408 9.1506 128.1586 53.6665 18.6472 178.0524 81 K 4.4073 7.8679 115.9332 56.4359 33.4764 176.4603 82 D 4.9880 8.6735 121.0873 52.5340 40.3010 176.3375 83 S 4.5054 8.0836 115.2606 57.9199 65.4747 174.2365 84 E 3.8946 8.8469 122.2340 60.1338 28.8818 179.5079 85 F 4.0235 8.1768 120.6255 61.0490 39.4248 176.6612 86 D 4.3801 8.1350 118.5823 57.2864 40.5551 178.9240 87 K 2.7706 8.1110 119.1561 59.2796 32.0797 179.6993 88 V 3.6371 8.2257 119.1206 65.4453 31.2460 178.0270 89 I 3.5689 7.7142 113.4642 63.7656 37.4987 178.2659 90 G 4.1024 7.7449 108.6448 47.2194 0.0000 175.3186 91 L 4.2219 7.4900 121.4462 56.9031 41.4873 179.0488 92 E 3.8834 7.8562 117.2674 60.2319 29.5828 179.1133 93 L 3.9899 7.6032 116.4860 55.9572 41.7885 178.7015 94 G 5.0456 7.2140 118.1913 46.0118 0.0000 172.2231 95 A 4.1281 7.4839 124.6854 52.1464 18.8156 178.3972 96 D 4.6940 8.2499 121.1297 55.2439 41.6587 175.7835 97 D 4.4839 7.6946 116.3973 54.0732 44.8468 174.2139 98 Y 4.8179 8.5351 123.9528 56.8036 40.3652 173.5545 99 V 4.5569 8.9245 127.6088 61.4559 33.8955 174.3416 100 T 5.3451 8.5877 116.5486 59.9350 70.5334 173.7389 101 K 5.0133 9.1770 124.1616 54.4861 35.3723 174.2119 102 P 4.2842 0.0000 0.0000 63.1984 31.5183 175.4918 103 F 5.0082 7.7814 115.2344 54.7999 40.9063 174.7383 104 S 4.6036 8.4530 115.5037 57.3295 64.1394 174.8652 105 N 4.7190 8.8001 126.4446 56.2511 38.3486 177.8399 106 R 3.9436 7.9758 119.3162 59.1975 30.3565 178.1673 107 E 3.9305 8.0186 118.5756 59.3628 29.7355 178.3950 108 L 3.9194 8.1409 120.4389 58.3897 42.1655 178.8311 109 Q 4.1779 8.0726 115.9048 58.3477 28.7584 177.9183 110 A 4.1792 8.1762 123.6099 55.0379 18.4064 179.7337 111 R 3.9365 8.1227 116.8633 58.9586 30.1698 179.0976 112 V 3.4926 7.6144 117.9295 65.9929 31.4767 178.1390 113 K 3.9622 7.6844 116.2486 59.5797 31.8452 178.8619 114 A 4.0330 7.9521 120.8754 55.4646 17.9717 179.7199 115 L 3.9346 7.7628 116.0815 58.0525 41.8199 179.5511 116 L 4.1711 7.7635 117.4596 57.1444 41.6019 179.2567 117 R 4.0252 8.2494 118.8555 59.3309 30.2020 176.7086 118 R 4.1854 7.5424 121.5387 56.6596 30.2440 175.7022 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.17 4.42 0.00 2.01 2.07 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.66 7.81 3 K 10.10 4.82 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.49 7.81 4 I 8.87 4.78 1.76 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.70 0.00 0.00 5 L 8.33 4.98 0.00 1.76 1.51 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.68 4.04 1.79 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 1.04 0.33 0.85 0.00 0.00 7 V 8.53 4.52 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 0.87 0.00 0.00 0.90 0.00 0.00 8 D 8.79 4.93 0.00 2.77 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 9 D 8.88 5.33 0.00 2.87 2.89 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 10 E 8.71 4.54 0.00 2.04 1.91 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 2.24 2.32 0.00 11 K 8.71 3.86 0.00 1.70 1.79 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.69 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.27 7.81 12 P 0.00 4.66 0.00 2.21 2.12 0.00 3.59 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 2.13 2.21 0.00 13 I 7.78 3.85 1.97 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 1.59 0.91 1.20 0.00 0.00 14 S 8.62 4.21 0.00 4.04 4.32 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 15 D 9.30 4.48 0.00 2.90 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 16 I 7.90 3.77 1.99 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 1.49 0.74 1.03 0.00 0.00 17 I 7.89 3.80 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.88 0.00 0.00 18 K 8.41 3.92 0.00 1.89 2.05 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 19 F 8.59 4.18 0.00 3.25 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 20 N 8.60 4.36 0.00 3.40 2.99 0.00 0.00 7.11 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 21 M 8.70 4.30 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 22 T 7.58 4.22 4.33 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 1.16 0.00 0.00 23 K 7.38 3.69 0.00 1.73 1.73 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 1.10 7.81 24 E 7.90 3.91 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 25 G 8.19 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 26 Y 7.71 4.66 0.00 3.02 2.85 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 27 E 8.89 4.21 0.00 2.11 1.85 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 2.32 2.27 0.00 28 V 8.30 4.75 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 0.84 0.00 0.00 0.95 0.00 0.00 29 V 9.03 4.41 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 0.97 0.00 0.00 0.92 0.00 0.00 30 T 8.41 4.87 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 1.16 0.00 0.00 31 A 8.46 4.56 1.09 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 0.00 0.00 32 F 9.60 5.17 0.00 3.12 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 33 N 7.53 4.90 0.00 2.98 2.94 0.00 0.00 6.10 6.92 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 34 G 8.44 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 0.00 0.00 0.00 35 R 8.83 4.00 0.00 1.86 2.07 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 E 8.70 3.88 0.00 2.23 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 2.43 2.43 0.00 37 A 8.15 3.97 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 38 L 7.71 4.18 0.00 1.76 1.82 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.14 4.01 0.00 2.18 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 2.34 2.65 0.00 40 Q 8.78 3.96 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 41 F 8.79 4.26 0.00 3.08 3.22 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 42 E 7.81 3.34 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 43 A 7.53 4.26 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 44 E 7.82 4.36 0.00 2.11 1.92 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 2.19 2.32 0.00 45 Q 7.54 3.03 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 46 P 0.00 4.55 0.00 2.44 2.11 0.00 3.99 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 2.12 2.08 0.00 47 D 8.48 4.62 0.00 2.60 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.53 4.74 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.42 0.75 0.00 0.00 49 I 8.64 4.87 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.85 0.00 0.00 50 I 8.11 4.60 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.48 0.73 0.00 0.00 51 L 8.10 4.72 0.00 1.64 1.35 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 52 D 10.34 4.78 0.00 2.70 2.56 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 53 L 7.62 3.03 0.00 1.82 1.87 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *59 D 8.31 4.31 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 60 G 8.57 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 61 L 7.58 4.04 0.00 1.73 1.72 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.43 3.90 0.00 1.99 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 0.00 2.32 2.45 0.00 63 V 7.82 3.81 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 1.07 0.00 0.00 0.91 0.00 0.00 64 A 7.73 3.83 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 K 8.08 3.73 0.00 1.82 2.05 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 66 T 8.71 4.05 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 1.28 0.00 0.00 67 I 7.77 3.50 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.41 0.39 0.00 0.00 68 R 7.80 4.28 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 69 K 7.44 4.26 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.56 7.81 70 T 7.78 4.69 4.45 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 0.00 0.00 1.27 0.00 0.00 71 S 7.76 4.67 0.00 4.10 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 72 S 8.57 4.71 0.00 4.00 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 73 V 7.78 3.46 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 0.64 0.00 0.00 1.07 0.00 0.00 74 P 0.00 4.34 0.00 2.05 1.99 0.00 3.75 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 2.09 2.10 0.00 75 I 8.33 4.73 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.87 0.81 0.00 0.00 76 L 8.48 4.73 0.00 1.59 1.37 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.88 4.18 0.00 1.54 1.72 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 2.36 2.04 0.00 78 L 7.83 5.46 0.00 1.54 1.41 0.57 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.95 4.59 0.00 3.72 3.55 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 80 A 9.15 4.44 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 81 K 7.87 4.41 0.00 2.20 1.90 0.00 1.65 0.00 0.00 2.19 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 82 D 8.67 4.99 0.00 2.80 2.81 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 83 S 8.08 4.51 0.00 4.11 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 84 E 8.85 3.89 0.00 2.19 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 0.00 2.41 2.47 0.00 85 F 8.18 4.02 0.00 3.19 3.03 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 86 D 8.13 4.38 0.00 2.89 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 87 K 8.11 2.77 0.00 1.61 1.56 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.91 0.61 7.81 88 V 8.23 3.64 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 0.95 0.00 0.00 0.89 0.00 0.00 89 I 7.71 3.57 1.67 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.07 0.00 0.00 90 G 7.74 4.10 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 0.00 0.00 0.00 91 L 7.49 4.22 0.00 1.71 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.86 3.88 0.00 2.05 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 2.31 2.56 0.00 93 L 7.60 3.99 0.00 1.73 1.69 0.89 1.13 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 94 G 7.21 5.05 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 0.00 95 A 7.48 4.13 1.38 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 0.00 0.00 0.00 96 D 8.25 4.69 0.00 2.66 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 97 D 7.69 4.48 0.00 2.65 2.41 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 98 Y 8.54 4.82 0.00 2.98 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 99 V 8.92 4.56 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 0.97 0.00 0.00 0.91 0.00 0.00 100 T 8.59 5.35 4.45 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 0.00 0.00 1.53 0.00 0.00 101 K 9.18 5.01 0.00 2.04 2.36 0.00 1.41 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.46 7.81 102 P 0.00 4.28 0.00 2.13 2.04 0.00 3.74 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 2.00 1.96 0.00 103 F 7.78 5.01 0.00 3.13 3.20 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 0.00 104 S 8.45 4.60 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.80 4.72 0.00 2.90 3.01 0.00 0.00 7.16 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 0.00 106 R 7.98 3.94 0.00 1.90 2.02 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 107 E 8.02 3.93 0.00 2.10 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 0.00 2.35 2.37 0.00 108 L 8.14 3.92 0.00 1.99 1.87 0.22 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.07 4.18 0.00 2.47 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 110 A 8.18 4.18 1.44 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 0.00 0.00 0.00 111 R 8.12 3.94 0.00 1.98 1.96 0.00 3.14 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 1.65 1.78 0.00 112 V 7.61 3.49 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 0.76 0.00 0.00 0.74 0.00 0.00 113 K 7.68 3.96 0.00 2.06 1.88 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.60 7.81 114 A 7.95 4.03 1.38 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 0.00 0.00 0.00 115 L 7.76 3.93 0.00 1.82 1.71 0.87 0.84 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 0.00 116 L 7.76 4.17 0.00 1.67 1.76 0.99 0.67 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 0.00 117 R 8.25 4.03 0.00 1.97 2.11 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 118 R 7.54 4.19 0.00 1.97 1.90 0.00 3.39 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.