NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 F 4.6648 8.1827 122.8225 58.2716 41.8116 176.5986 8 S 3.9249 8.3457 114.8046 61.0688 62.1306 174.5835 9 A 3.9877 8.1319 123.2077 54.8771 18.5595 178.7639 10 L 3.7742 7.6085 118.3656 57.9132 42.2899 178.5768 11 W 4.2219 8.1404 128.6158 60.9069 30.5052 177.9539 12 Q 3.8538 8.0999 117.5922 58.9252 27.8203 179.1837 13 R 3.7898 7.5324 118.5212 58.9832 30.2010 178.7108 14 L 3.9062 7.6512 118.9695 57.6367 41.6370 179.4817 15 L 3.8187 7.5101 118.9194 57.6588 41.3660 179.2647 16 T 4.0498 7.7384 114.5327 65.5180 68.3907 175.8976 17 R 3.8473 7.0058 119.0287 56.4266 30.3126 177.3462 18 G 3.9414 8.1666 107.7858 44.4275 0.0000 174.0146 19 W 4.6844 7.5341 119.5350 57.2725 29.7063 175.7409 20 Q 4.4436 8.7207 123.1451 54.6832 29.8169 173.7148 21 P 5.2362 0.0000 0.0000 62.6322 32.5538 176.1562 22 V 4.4912 8.7092 116.1404 59.9542 34.6922 176.0107 23 E 4.4179 8.7033 124.6909 55.2193 31.3797 177.9352 24 A 4.5241 8.4248 121.9998 52.0469 17.4064 178.2800 25 S 4.3698 9.1510 116.9790 59.4741 66.7737 174.7509 *34 V 4.0612 8.4188 119.2216 61.5240 34.1151 175.0500 35 G 3.8990 7.7137 105.3599 44.3879 0.0000 173.5731 36 D 4.9898 8.7869 125.0710 53.5779 42.0350 175.9103 37 G 4.6250 8.7199 109.9939 45.4570 0.0000 171.2737 38 V 5.1244 9.0645 119.6187 59.7480 35.0161 174.4983 39 I 4.8638 8.7996 124.0696 59.6458 39.7349 174.3446 40 L 4.9563 8.6579 127.5127 53.2863 43.7159 175.3725 41 L 4.7899 8.8623 124.3961 53.1966 43.8500 175.8944 42 S 5.1022 8.6670 119.4628 56.8282 65.6436 173.3187 43 S 4.4390 8.3046 115.9206 55.7022 65.4077 173.0158 44 D 4.1981 8.4576 122.1801 54.1453 40.9889 175.5125 45 P 4.3661 0.0000 0.0000 65.6827 31.6938 178.0731 46 R 4.4820 7.5386 118.1918 55.2349 28.9557 176.8991 47 R 4.8058 9.2633 126.7881 57.3392 33.0027 174.3889 *52 S 4.4848 8.0232 110.3783 58.2085 63.8623 173.2379 53 D 4.8896 7.9470 116.9961 54.5028 41.8305 176.6014 54 N 4.4932 8.2583 118.0729 56.1764 39.4805 174.0063 55 P 4.6355 0.0000 0.0000 66.0643 31.7748 179.3216 56 V 3.7215 7.9478 108.0916 62.7440 31.9024 178.1534 *58 I 3.9976 7.9513 121.7022 61.4613 38.8782 177.6025 59 A 4.1433 8.6157 122.2118 55.5884 17.7899 179.3761 60 E 3.9650 8.2442 116.5853 59.2155 30.0395 178.6221 61 L 4.4105 8.0449 118.5965 58.0680 41.7703 179.1854 62 L 3.7118 7.9145 118.6903 57.9413 41.3424 179.5663 63 R 4.1231 7.7287 117.1160 59.4639 30.0545 177.4870 64 E 4.5605 8.1792 115.1946 56.1845 30.9398 177.2676 65 F 5.4938 8.6176 118.1916 54.3806 39.5322 173.7119 66 P 4.4112 0.0000 0.0000 64.4032 32.1808 178.0228 67 Q 3.9245 7.8127 118.1467 58.8326 28.7770 177.0429 68 F 4.4985 7.6664 114.9538 56.6327 40.6374 176.0619 69 D 4.7567 8.1300 123.9595 52.1422 39.6665 176.2006 70 W 4.7553 7.7112 119.2674 57.7593 30.3867 177.1664 71 Q 4.9070 9.1276 121.7406 54.2270 32.1373 174.6557 72 V 4.7020 8.1635 119.3532 61.0955 34.9503 174.0495 73 A 5.2216 8.5674 127.7449 50.3791 22.8688 174.9014 74 V 5.0556 9.0262 118.5707 61.0935 35.7346 174.1232 75 A 5.2724 8.5262 126.5847 49.9629 21.5018 176.5709 76 D 3.9745 8.4126 121.5482 52.5741 40.5028 176.7287 77 L 3.4907 7.7524 118.0764 58.1357 41.5635 179.2005 78 E 3.9624 7.9366 117.6754 59.5083 29.6563 179.1155 79 Q 4.0962 7.8325 116.3606 58.1486 28.5262 178.7543 80 S 4.2907 7.3762 115.7977 60.6272 63.1540 175.7283 81 E 4.0638 8.1084 121.6986 59.4001 29.4543 178.1850 82 A 4.2948 8.0026 120.1042 54.7794 19.0929 178.0157 83 I 4.3759 7.9236 123.2700 60.6173 34.7619 175.5356 84 G 4.4063 8.2613 121.7895 46.7179 0.0000 172.9336 85 D 4.4311 7.6189 120.0692 56.9285 41.0653 178.9621 86 R 3.7186 7.9617 117.2719 59.0693 29.9313 176.6994 87 F 4.6904 8.0841 113.1103 56.3778 39.3168 174.6134 88 N 4.0150 9.4024 117.2752 54.4462 37.6003 175.0027 89 V 3.9392 9.0638 117.4800 61.6654 31.0450 175.1909 90 R 4.1498 8.2046 126.4729 56.4097 30.9554 177.0637 91 R 4.4228 7.3370 115.9584 53.9900 32.6103 174.8753 92 F 5.2638 8.0948 119.1649 54.8659 42.7586 173.3483 93 P 4.9090 0.0000 0.0000 62.9429 32.6242 175.1817 94 A 5.2022 8.9533 122.8725 50.8427 23.4690 175.2388 95 T 4.9505 9.8230 115.4169 62.1365 73.1164 173.1492 96 L 4.5198 8.9310 127.1863 53.2935 43.6767 175.6289 97 V 4.4747 7.9547 123.7141 61.2681 33.1132 174.5640 98 F 4.8190 9.3542 127.1877 56.2264 41.7050 175.3111 99 T 4.7870 8.4287 119.4182 61.4772 69.3951 173.1645 100 D 4.6863 8.9166 122.3959 53.2728 41.3127 175.7639 101 G 4.2382 8.1215 105.9674 46.6759 0.0000 171.1420 *106 A 4.1050 7.8470 123.5404 51.9007 19.5893 175.6450 107 L 4.5318 9.0766 124.1143 53.6836 43.4658 176.2384 108 S 4.2684 8.4727 118.7565 58.0700 67.1094 174.7332 109 G 3.6875 8.6962 110.2746 44.8208 0.0000 171.9529 110 I 4.2475 7.7085 118.2224 59.6190 38.9253 174.5981 111 H 5.0153 8.3314 123.6055 52.5200 32.7620 172.1548 112 P 4.5149 0.0000 0.0000 61.9069 33.2627 177.5101 113 W 4.4710 8.8268 130.6041 60.7826 30.5918 177.8701 114 A 3.6719 8.2484 119.9792 55.2274 17.7701 178.8034 115 E 3.7175 8.0640 116.8135 59.3756 29.4711 178.3070 116 L 3.7422 7.3053 118.6732 58.2343 42.0972 178.3345 117 L 3.7462 6.7754 118.3305 58.5039 42.2082 178.8251 118 T 4.0372 7.4550 115.4820 66.3383 68.3595 176.7808 119 L 3.8424 7.5607 117.5963 55.5828 41.3336 178.7801 *121 R 4.4635 7.9604 121.9400 56.4642 31.8797 177.5721 122 S 4.1602 8.0017 111.8720 61.1309 62.6844 175.2459 123 I 3.8068 7.5588 120.0723 64.4295 37.0886 177.7566 124 V 3.7907 7.8444 118.3395 65.9912 31.6893 175.2764 125 D 4.6112 7.9550 122.5294 54.5672 40.6979 176.1771 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 7 F 8.18 4.66 0.00 3.15 3.16 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 0.00 0.00 0.00 0.00 8 S 8.35 3.92 0.00 4.07 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 9 A 8.13 3.99 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 10 L 7.61 3.77 0.00 1.73 1.62 0.96 1.12 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 11 W 8.14 4.22 0.00 2.60 2.98 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 12 Q 8.10 3.85 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 13 R 7.53 3.79 0.00 1.91 1.87 0.00 3.12 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 14 L 7.65 3.91 0.00 1.67 1.78 1.16 0.99 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 15 L 7.51 3.82 0.00 1.36 1.45 0.40 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.74 4.05 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 1.09 0.00 0.00 17 R 7.01 3.85 0.00 0.93 0.66 0.00 2.21 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 1.03 1.31 0.00 18 G 8.17 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 19 W 7.53 4.68 0.00 3.40 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 20 Q 8.72 4.44 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 21 P 0.00 5.24 0.00 2.11 2.35 0.00 3.65 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 2.06 1.96 0.00 22 V 8.71 4.49 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 0.69 0.00 0.00 1.06 0.00 0.00 23 E 8.70 4.42 0.00 2.11 1.94 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 2.41 2.39 0.00 24 A 8.42 4.52 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 25 S 9.15 4.37 0.00 3.85 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 *34 V 8.42 4.06 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 0.50 0.00 0.00 0.77 0.00 0.00 35 G 7.71 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 36 D 8.79 4.99 0.00 2.53 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 0.00 0.00 0.00 0.00 37 G 8.72 4.63 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 0.00 0.00 0.00 38 V 9.06 5.12 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 0.44 0.00 0.00 0.76 0.00 0.00 39 I 8.80 4.86 1.89 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 1.16 0.82 0.92 0.00 0.00 40 L 8.66 4.96 0.00 1.62 1.60 0.76 0.10 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 41 L 8.86 4.79 0.00 1.79 1.60 1.19 0.63 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 42 S 8.67 5.10 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 43 S 8.30 4.44 0.00 3.80 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 44 D 8.46 4.20 0.00 2.65 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 45 P 0.00 4.37 0.00 2.32 2.22 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 46 R 7.54 4.48 0.00 1.81 1.96 0.00 3.60 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 47 R 9.26 4.81 0.00 1.78 1.94 0.00 3.36 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 *52 S 8.02 4.48 0.00 3.98 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 53 D 7.95 4.89 0.00 2.73 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 54 N 8.26 4.49 0.00 2.73 2.94 0.00 0.00 7.06 7.69 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 55 P 0.00 4.64 0.00 2.34 2.41 0.00 3.82 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 2.24 2.34 0.00 56 V 7.95 3.72 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 0.88 0.00 0.00 1.06 0.00 0.00 *58 I 7.95 4.00 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.85 0.68 0.00 0.00 59 A 8.62 4.14 1.57 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 0.00 0.00 60 E 8.24 3.97 0.00 2.23 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 2.23 2.16 0.00 61 L 8.04 4.41 0.00 1.88 1.53 0.69 0.58 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 62 L 7.91 3.71 0.00 1.72 1.72 0.84 -0.32 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 63 R 7.73 4.12 0.00 2.12 2.19 0.00 3.46 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 64 E 8.18 4.56 0.00 2.44 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 0.00 2.55 2.92 0.00 65 F 8.62 5.49 0.00 3.36 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 66 P 0.00 4.41 0.00 2.09 2.18 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.37 0.00 67 Q 7.81 3.92 0.00 1.63 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 68 F 7.67 4.50 0.00 1.51 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 0.00 0.00 0.00 0.00 69 D 8.13 4.76 0.00 2.64 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 70 W 7.71 4.76 0.00 3.22 3.12 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 71 Q 9.13 4.91 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 72 V 8.16 4.70 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 0.00 0.00 -0.68 0.00 0.00 0.59 0.00 0.00 73 A 8.57 5.22 1.21 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 0.00 0.00 74 V 9.03 5.06 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 1.54 0.00 0.00 1.11 0.00 0.00 75 A 8.53 5.27 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 76 D 8.41 3.97 0.00 2.13 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 0.00 0.00 0.00 77 L 7.75 3.49 0.00 1.19 1.36 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.94 3.96 0.00 2.07 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 2.32 2.35 0.00 79 Q 7.83 4.10 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 80 S 7.38 4.29 0.00 3.82 3.49 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 81 E 8.11 4.06 0.00 1.83 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 0.00 2.35 2.34 0.00 82 A 8.00 4.29 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 83 I 7.92 4.38 2.11 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 1.39 0.71 1.09 0.00 0.00 84 G 8.26 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 85 D 7.62 4.43 0.00 2.79 2.74 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 86 R 7.96 3.72 0.00 1.67 1.95 0.00 3.09 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 87 F 8.08 4.69 0.00 3.11 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 88 N 9.40 4.01 0.00 2.82 2.84 0.00 0.00 6.95 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 89 V 9.06 3.94 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 0.59 0.00 0.00 0.97 0.00 0.00 90 R 8.20 4.15 0.00 1.70 1.85 0.00 3.22 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 91 R 7.34 4.42 0.00 1.60 1.68 0.00 3.08 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 92 F 8.09 5.26 0.00 2.94 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 93 P 0.00 4.91 0.00 2.14 2.06 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 94 A 8.95 5.20 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 95 T 9.82 4.95 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 1.09 0.00 0.00 96 L 8.93 4.52 0.00 1.57 1.06 0.42 0.08 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 97 V 7.95 4.47 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 0.81 0.00 0.00 0.68 0.00 0.00 98 F 9.35 4.82 0.00 3.18 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 99 T 8.43 4.79 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 1.07 0.00 0.00 100 D 8.92 4.69 0.00 2.73 3.09 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 0.00 101 G 8.12 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 0.00 0.00 0.00 0.00 *106 A 7.85 4.10 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.08 4.53 0.00 1.47 1.54 0.74 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.47 4.27 0.00 3.62 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 0.00 109 G 8.70 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 0.00 0.00 0.00 110 I 7.71 4.25 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.88 0.00 0.00 111 H 8.33 5.02 0.00 3.07 3.07 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.51 0.00 2.20 2.03 0.00 3.67 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 2.14 2.17 0.00 113 W 8.83 4.47 0.00 3.45 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 0.00 114 A 8.25 3.67 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 0.00 115 E 8.06 3.72 0.00 2.00 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 2.17 2.27 0.00 116 L 7.31 3.74 0.00 1.59 1.54 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 L 6.78 3.75 0.00 0.59 1.38 1.03 1.07 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 0.00 118 T 7.45 4.04 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 1.16 0.00 0.00 119 L 7.56 3.84 0.00 1.72 1.53 0.60 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 7.96 4.46 0.00 2.20 2.15 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 122 S 8.00 4.16 0.00 3.93 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 0.00 123 I 7.56 3.81 1.75 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 1.09 0.82 0.82 0.00 0.00 124 V 7.84 3.79 2.31 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 1.26 0.00 0.00 0.92 0.00 0.00 125 D 7.95 4.61 0.00 2.80 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 * Residues marked with a * may have inaccurate shift predictions.