NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4401 0.0000 0.0000 62.3093 32.9218 175.7891 3 H 4.3865 8.6282 115.8514 55.5301 30.1708 172.5929 4 H 5.5374 9.4822 122.3681 54.5633 32.1384 172.8899 5 I 4.8837 8.8543 119.6738 59.0434 40.7216 174.5006 6 V 4.7960 8.4471 123.6775 61.2628 34.4894 174.0973 7 I 4.5627 8.7268 129.0146 59.8301 39.1857 174.8513 8 V 4.5852 9.0089 128.7978 61.3379 32.7043 174.0533 9 E 4.7583 8.8247 129.0986 54.9837 31.7899 174.5500 10 D 4.3652 8.9987 126.5771 55.5514 41.9911 175.8316 11 E 4.3562 8.2895 120.4964 54.5409 30.2425 174.2955 12 P 4.2275 0.0000 0.0000 65.8422 31.4558 178.8109 13 V 3.6020 8.2762 116.9322 66.2207 31.3718 178.2849 14 T 3.8494 7.8210 115.0737 66.4886 68.3950 176.0034 15 Q 3.9516 8.3466 121.6005 59.5104 29.0457 178.7466 16 A 4.0596 8.2316 121.5762 54.9365 18.4015 179.6006 17 R 3.8967 8.2399 117.4374 59.6737 30.2272 178.8378 18 L 4.1601 8.2353 118.9927 57.7417 41.6086 179.2622 19 Q 4.1066 8.3594 119.6134 59.2180 28.8141 178.2393 20 S 4.1070 8.0509 112.8603 61.5289 62.2458 175.0968 21 Y 3.9678 8.1513 122.0627 60.9812 38.5505 178.2913 22 F 4.3677 8.5839 118.2434 60.4976 39.0086 177.9437 23 T 4.0366 8.1901 115.9139 66.5689 68.0376 176.0029 24 Q 4.1668 7.5416 116.7537 57.2583 29.0102 177.3444 25 E 3.9842 7.5668 118.7706 57.0873 29.6771 177.5455 26 G 3.8836 7.8459 107.6014 44.8585 0.0000 173.4330 27 Y 4.7517 7.0527 116.5637 58.0153 39.1855 175.4021 28 T 4.2385 8.7926 119.7085 63.3624 69.6851 173.8214 29 V 4.8972 8.4930 126.4089 61.1964 33.9354 174.6636 30 S 5.0208 9.2322 123.6984 56.8986 65.9226 173.5283 31 V 5.0050 8.0949 114.8759 60.3763 35.2399 174.3920 32 T 4.5316 8.5582 115.9479 61.8143 71.2348 173.4908 33 A 4.8589 8.6814 124.9467 51.7597 20.1370 176.6508 34 S 4.8002 7.4956 110.5770 55.6584 67.3860 175.0622 35 G 3.7044 9.2184 110.4118 47.2975 0.0000 175.9178 36 A 4.0770 8.7917 123.5923 54.9416 18.4552 179.9291 37 G 4.0901 8.3266 105.9868 47.2881 0.0000 175.5438 38 L 3.9423 7.9504 122.0705 58.0911 42.2026 178.9496 39 R 4.0361 7.9502 116.7367 59.1629 29.7735 178.4100 40 E 4.1281 8.1508 119.0345 59.1689 29.6886 180.2836 41 I 4.4056 7.6383 118.4084 61.7249 36.9643 177.8840 *43 Q 4.3306 8.0961 120.0635 55.4080 30.4608 175.7581 44 N 4.9587 7.5485 112.1951 52.9225 40.4957 174.4505 45 Q 4.5953 7.8889 115.8868 53.5927 32.8670 174.6746 46 S 4.1911 8.6165 115.5575 58.1193 63.0012 173.5688 47 V 4.2857 8.1537 126.7079 61.2308 33.5884 174.5524 48 D 4.6538 8.9455 127.3422 56.2761 42.4248 176.3091 49 L 4.8398 7.4871 118.4972 53.7927 45.8294 174.0309 50 I 4.8352 8.7105 126.4641 59.4649 40.6995 174.3925 51 L 4.8248 8.7144 127.4193 53.3296 43.2364 175.3179 52 L 4.8393 8.7917 127.5632 52.9108 44.4001 174.9070 53 D 4.7962 8.8721 127.8076 54.0373 40.9264 176.1794 54 I 3.7571 8.7357 129.1132 64.1280 39.3759 175.4758 55 N 4.8645 8.0871 119.3828 50.8305 37.0246 177.0901 56 L 4.9395 7.9610 123.7864 51.0063 44.7581 175.6081 57 P 4.4034 0.0000 0.0000 64.9672 31.5465 176.9122 58 D 4.7692 8.0084 116.7732 53.5810 41.0928 175.3216 59 E 4.6499 7.5153 115.7049 54.2697 32.7671 173.2164 60 N 4.5615 8.5890 118.2353 52.9878 39.6008 175.0674 61 G 3.8097 8.6571 114.4490 48.1775 0.0000 175.5523 62 L 4.3518 7.8368 117.6407 55.2186 41.1352 178.5948 *64 L 4.2218 8.0155 123.0380 55.5027 43.9918 178.6809 65 T 3.8593 8.1494 115.3703 66.8588 68.2865 176.3659 66 R 3.8606 7.9365 119.8268 59.3064 29.8586 178.2843 67 A 3.9739 7.9575 120.0523 55.1698 18.5454 179.3775 68 L 3.9818 8.0874 117.5642 58.1030 41.5179 179.8843 69 R 4.0782 7.9275 117.2589 59.3694 30.0632 178.0822 70 E 4.0856 8.4083 118.0988 58.8382 29.4802 178.6461 71 R 4.3647 7.4489 115.0736 56.3769 31.0454 176.2400 72 S 4.5918 7.2175 110.8509 57.3240 65.5147 173.4808 73 T 4.3780 8.3373 114.5859 61.3564 68.8916 175.0419 74 V 3.6182 7.7655 122.3375 62.6217 31.7769 176.3964 75 G 3.8051 8.9458 110.9573 46.4921 0.0000 172.5707 76 I 5.1224 9.1285 123.8054 59.4630 41.5536 174.2059 77 I 4.9118 8.8335 128.2204 59.4273 40.1025 174.9730 78 L 4.7518 8.7937 127.6895 54.0111 43.4904 175.9945 79 V 4.6618 8.5100 122.3211 61.4201 34.4958 174.2880 80 T 4.7962 8.8587 121.2239 60.8222 71.0323 174.2055 81 G 3.9450 8.9546 114.7295 46.2065 0.0000 174.5706 82 R 4.5829 7.9658 121.0907 55.5056 31.0694 182.4207 83 S 4.8821 8.6015 117.3091 57.2861 62.9398 172.7703 84 D 4.8953 7.9024 123.9526 54.0832 41.8366 178.0455 85 R 3.8881 8.4139 123.5689 61.6242 29.5259 178.9812 86 I 3.8398 7.6935 120.0554 64.4325 37.1244 178.0819 87 D 4.3779 8.5135 119.7483 57.2593 40.6902 178.9093 88 R 2.0000 7.4197 118.9433 58.9062 29.9619 178.7161 89 I 3.5999 7.8968 120.0184 64.1619 36.8173 178.6280 90 V 3.7977 8.0460 118.7240 65.8685 31.6763 177.7716 91 G 4.0467 8.2671 105.8714 48.1435 0.0000 175.5739 92 L 4.2732 7.5348 120.0813 57.1663 41.8107 180.6550 93 E 4.2801 8.2950 119.2260 55.8660 29.4838 178.1253 *95 G 3.8222 8.0304 105.9513 44.5833 0.0000 173.7685 96 A 4.1360 7.8267 123.6024 52.1935 18.8549 177.9217 97 D 4.6026 8.7419 123.0561 57.2945 41.5983 175.8856 98 D 4.7887 7.8794 115.8240 53.5240 45.3940 173.7042 99 Y 5.0245 8.4221 122.3278 56.5976 41.2565 174.1289 100 V 4.7680 9.1360 120.5851 59.6735 35.4876 174.7982 101 T 5.1022 8.3715 112.7905 59.9101 71.0177 174.0134 102 K 4.5539 8.8699 124.1449 55.1401 33.1891 175.2979 103 P 4.4315 0.0000 0.0000 62.3134 32.2006 176.1647 104 L 4.0543 8.1858 120.9895 54.6835 42.3761 177.7285 105 E 4.2616 8.5236 122.9915 55.5044 29.4090 177.4393 106 L 3.8547 8.1355 125.6627 57.1844 41.6241 179.4893 107 R 3.9841 7.8952 117.7615 59.3718 30.0782 178.5202 108 E 3.9761 8.1792 117.7122 59.4377 29.4299 179.0442 109 L 4.0306 7.9271 120.4278 58.2546 42.1817 179.4506 110 V 3.8456 8.2561 119.5171 64.9489 31.2528 178.5679 111 V 3.6958 7.7944 118.8371 65.5326 31.3245 177.9128 112 R 3.9215 8.3912 118.8996 59.4044 29.8189 178.6594 113 V 3.5916 8.2931 118.2663 65.8507 31.5945 177.5995 114 K 4.0356 8.2823 119.3991 60.1019 32.0158 178.4066 115 N 4.5513 8.5297 116.5382 55.9930 38.3810 177.2941 116 L 4.0206 8.4628 122.3465 58.2096 42.3241 179.0124 117 L 3.8922 8.2195 119.1358 57.4794 41.2786 179.1791 118 W 4.2640 8.1542 127.4139 60.7015 30.6767 177.9670 119 R 3.7329 7.9761 116.8538 59.2518 29.6185 178.9222 120 I 3.8043 7.8452 118.6852 63.8939 37.0894 176.4585 121 D 4.5938 7.7320 123.5464 54.4630 40.9072 175.9685 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 P 0.00 4.44 0.00 2.31 2.28 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 3 H 8.63 4.39 0.00 3.40 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.48 5.54 0.00 3.20 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.85 4.88 1.59 0.00 0.00 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 1.08 0.90 0.46 0.00 0.00 6 V 8.45 4.80 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 1.03 0.00 0.00 0.84 0.00 0.00 7 I 8.73 4.56 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.91 0.00 0.00 8 V 9.01 4.59 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 1.00 0.00 0.00 0.89 0.00 0.00 9 E 8.82 4.76 0.00 1.94 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 2.25 2.48 0.00 10 D 9.00 4.37 0.00 2.64 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 11 E 8.29 4.36 0.00 2.13 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 2.25 2.46 0.00 12 P 0.00 4.23 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 13 V 8.28 3.60 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 1.04 0.00 0.00 0.98 0.00 0.00 14 T 7.82 3.85 4.39 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 1.20 0.00 0.00 15 Q 8.35 3.95 0.00 2.22 2.31 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 2.39 2.41 0.00 16 A 8.23 4.06 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 17 R 8.24 3.90 0.00 1.98 2.09 0.00 3.06 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 1.61 1.73 0.00 18 L 8.24 4.16 0.00 2.03 1.88 0.94 0.99 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 19 Q 8.36 4.11 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 20 S 8.05 4.11 0.00 4.10 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 0.00 21 Y 8.15 3.97 0.00 3.30 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 22 F 8.58 4.37 0.00 3.43 3.40 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 23 T 8.19 4.04 4.49 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 0.00 0.00 0.00 1.24 0.00 0.00 24 Q 7.54 4.17 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 25 E 7.57 3.98 0.00 1.66 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 2.19 2.52 0.00 26 G 7.85 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 27 Y 7.05 4.75 0.00 3.03 2.99 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 28 T 8.79 4.24 4.14 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 1.00 0.00 0.00 29 V 8.49 4.90 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 0.90 0.00 0.00 1.20 0.00 0.00 30 S 9.23 5.02 0.00 3.82 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 31 V 8.09 5.00 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 0.72 0.00 0.00 0.99 0.00 0.00 32 T 8.56 4.53 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 33 A 8.68 4.86 1.25 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 0.00 0.00 0.00 34 S 7.50 4.80 0.00 4.33 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 35 G 9.22 3.70 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 0.00 0.00 0.00 36 A 8.79 4.08 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 37 G 8.33 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 0.00 0.00 0.00 0.00 38 L 7.95 3.94 0.00 1.59 1.87 0.88 1.09 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 39 R 7.95 4.04 0.00 1.96 1.97 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 40 E 8.15 4.13 0.00 2.33 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 2.30 2.39 0.00 41 I 7.64 4.41 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 1.52 0.67 0.86 0.00 0.00 *43 Q 8.10 4.33 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 44 N 7.55 4.96 0.00 2.58 2.82 0.00 0.00 6.74 7.57 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 45 Q 7.89 4.60 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 S 8.62 4.19 0.00 3.84 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 47 V 8.15 4.29 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 0.83 0.00 0.00 0.78 0.00 0.00 48 D 8.95 4.65 0.00 2.65 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 49 L 7.49 4.84 0.00 1.53 1.24 0.80 0.74 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 50 I 8.71 4.84 1.81 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 1.16 0.58 0.85 0.00 0.00 51 L 8.71 4.82 0.00 1.46 1.50 0.45 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.79 4.84 0.00 1.64 1.44 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.87 4.80 0.00 2.89 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.74 3.76 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.19 0.88 0.00 0.00 55 N 8.09 4.86 0.00 2.73 2.63 0.00 0.00 6.88 8.70 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 56 L 7.96 4.94 0.00 1.78 1.68 0.91 1.10 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 57 P 0.00 4.40 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 58 D 8.01 4.77 0.00 2.77 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 59 E 7.52 4.65 0.00 2.10 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 0.00 2.25 2.28 0.00 60 N 8.59 4.56 0.00 2.71 2.77 0.00 0.00 6.93 7.98 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 61 G 8.66 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 62 L 7.84 4.35 0.00 1.87 1.71 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *64 L 8.02 4.22 0.00 1.80 1.84 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.15 3.86 4.46 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 1.23 0.00 0.00 66 R 7.94 3.86 0.00 1.96 1.92 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 67 A 7.96 3.97 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 68 L 8.09 3.98 0.00 1.86 1.71 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.93 4.08 0.00 1.84 2.08 0.00 3.31 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 E 8.41 4.09 0.00 2.15 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 2.43 0.00 71 R 7.45 4.36 0.00 1.81 1.96 0.00 3.30 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 72 S 7.22 4.59 0.00 3.79 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 73 T 8.34 4.38 4.21 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 1.19 0.00 0.00 74 V 7.77 3.62 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 0.63 0.00 0.00 0.99 0.00 0.00 75 G 8.95 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 76 I 9.13 5.12 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 1.20 0.85 0.89 0.00 0.00 77 I 8.83 4.91 1.81 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 1.23 0.70 0.89 0.00 0.00 78 L 8.79 4.75 0.00 1.39 1.19 1.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.51 4.66 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 0.88 0.00 0.00 0.85 0.00 0.00 80 T 8.86 4.80 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 1.26 0.00 0.00 81 G 8.95 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 82 R 7.97 4.58 0.00 1.85 1.70 0.00 3.25 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 83 S 8.60 4.88 0.00 3.60 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.90 4.90 0.00 2.86 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 85 R 8.41 3.89 0.00 1.84 1.98 0.00 3.25 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 1.63 1.29 0.00 86 I 7.69 3.84 1.85 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 1.62 0.18 0.89 0.00 0.00 87 D 8.51 4.38 0.00 2.72 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 88 R 7.42 2.00 0.00 1.54 1.82 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.00 89 I 7.90 3.60 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.90 0.00 0.00 90 V 8.05 3.80 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 0.81 0.00 0.00 0.94 0.00 0.00 91 G 8.27 4.05 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 92 L 7.53 4.27 0.00 1.76 1.73 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.29 4.28 0.00 2.05 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 2.33 2.45 0.00 *95 G 8.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.83 4.14 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 97 D 8.74 4.60 0.00 2.71 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 98 D 7.88 4.79 0.00 2.71 2.49 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 0.00 0.00 0.00 0.00 99 Y 8.42 5.02 0.00 2.96 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 0.00 100 V 9.14 4.77 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 0.77 0.00 0.00 0.96 0.00 0.00 101 T 8.37 5.10 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 1.38 0.00 0.00 102 K 8.87 4.55 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.56 7.81 103 P 0.00 4.43 0.00 2.16 2.04 0.00 3.76 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 1.98 1.98 0.00 104 L 8.19 4.05 0.00 1.59 1.59 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.52 4.26 0.00 2.00 2.09 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 2.37 2.39 0.00 106 L 8.14 3.85 0.00 1.28 0.49 0.31 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.90 3.98 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 108 E 8.18 3.98 0.00 2.07 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 2.42 2.46 0.00 109 L 7.93 4.03 0.00 1.91 1.85 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.26 3.85 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 0.87 0.00 0.00 0.95 0.00 0.00 111 V 7.79 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 112 R 8.39 3.92 0.00 2.06 2.18 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 113 V 8.29 3.59 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 0.98 0.00 0.00 1.01 0.00 0.00 114 K 8.28 4.04 0.00 2.07 2.14 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.62 7.81 115 N 8.53 4.55 0.00 2.97 2.94 0.00 0.00 6.72 6.41 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 0.00 116 L 8.46 4.02 0.00 1.85 1.83 0.99 0.54 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 0.00 117 L 8.22 3.89 0.00 1.95 1.49 0.51 0.72 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 0.00 118 W 8.15 4.26 0.00 3.31 3.53 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 0.00 0.00 0.00 0.00 119 R 7.98 3.73 0.00 2.10 1.94 0.00 3.39 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 120 I 7.85 3.80 1.94 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 1.48 0.49 0.87 0.00 0.00 121 D 7.73 4.59 0.00 2.74 2.53 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.