NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7272 8.2233 120.4641 54.0640 42.4865 172.9169 3 L 5.2233 8.4718 123.9109 52.3481 44.8300 171.0438 4 V 4.5033 8.5522 117.2264 58.4959 36.2625 172.9326 5 P 3.7448 0.0000 0.0000 62.6156 32.1958 175.4389 6 L 4.5442 8.5984 122.1185 53.7762 46.5337 174.4647 7 K 5.0393 9.0055 118.0000 54.9944 35.9574 175.3801 8 L 4.8728 8.9066 125.6031 53.4158 44.4664 175.0267 9 V 4.6105 8.5749 127.0700 61.6074 33.6982 174.4459 10 T 4.9244 8.5059 124.4408 61.6794 71.5958 173.1783 11 I 5.0348 8.7626 126.0230 59.4326 41.2783 174.4120 12 V 4.9745 8.7812 126.2268 60.3456 34.3454 174.1980 13 A 4.7786 8.2222 126.9695 51.0211 22.8328 175.0233 14 E 4.3122 8.6216 118.5773 56.8126 30.1430 179.1031 15 S 4.1129 9.0859 118.5673 61.5410 62.6218 176.7992 16 L 4.1428 7.8532 120.8029 56.5977 41.6397 177.9186 17 L 4.3014 7.7671 118.3803 54.4290 41.7373 177.6618 18 E 3.7764 7.9677 121.4434 59.3736 29.5427 178.5837 19 K 3.7949 7.9668 118.7111 59.4915 32.1675 178.3511 20 R 3.8909 7.8796 118.2005 59.5408 30.0971 178.2779 21 L 3.7120 7.9400 118.7818 57.7103 41.6322 179.6732 22 V 3.1914 7.9317 118.5410 65.8673 31.3436 177.9525 23 E 3.9386 8.1610 118.2601 59.2899 29.2910 179.0577 24 E 3.9754 8.3932 118.8866 59.7346 29.5835 179.9893 25 V 3.6368 7.8047 112.2583 64.1776 31.5538 178.8831 26 K 4.2534 7.9296 119.5640 59.0269 31.7175 179.2152 27 R 3.9433 7.8842 117.6726 59.2321 30.0337 177.5907 28 L 4.4111 7.6506 115.7837 54.4103 42.0147 176.5529 29 G 3.7732 7.8470 107.4714 45.4147 0.0000 174.8526 30 A 4.1219 8.3899 124.8513 52.5068 18.7264 177.9972 31 K 4.4633 8.5442 120.4945 55.9924 32.8223 175.9311 32 G 4.0935 7.3483 106.8008 45.8283 0.0000 171.6530 33 Y 4.8958 7.4382 114.7285 56.8039 40.1368 173.6162 34 T 4.7251 8.9761 117.0543 61.9004 72.6764 173.0475 35 I 5.1404 8.5121 125.2502 59.8609 40.5178 174.9984 36 T 4.7712 8.6472 122.1689 60.8229 72.0629 171.9365 37 P 4.8460 0.0000 0.0000 63.1840 32.5076 175.0770 38 A 5.2653 9.1232 122.2452 51.1890 23.2192 174.9497 39 R 4.9010 8.7154 114.5314 55.2272 32.8654 174.8517 40 G 3.8874 8.0905 107.2929 44.1938 0.0000 170.9419 41 E 3.5302 8.9926 122.5019 57.5332 29.3906 174.6963 42 G 3.5227 8.5192 121.7634 45.2473 0.0000 172.1627 *50 D 4.3964 8.2155 124.8026 52.9213 42.7967 176.8949 51 W 4.2776 7.9093 116.8189 58.8444 29.3967 175.5836 52 E 4.5864 7.6152 118.3796 55.8330 30.5364 176.1515 53 G 4.0557 8.9379 109.8849 46.2729 0.0000 173.3823 54 Q 4.6672 7.4608 119.0737 56.1241 31.6425 177.9319 55 N 5.5624 9.3624 130.5039 52.3506 42.0569 171.7402 56 I 5.0898 8.7473 112.1832 59.3883 41.7767 174.4220 57 R 4.7960 9.1425 124.4683 54.7264 32.2566 174.0355 58 L 5.1367 9.1587 129.7277 53.5194 44.1868 174.8840 59 E 5.2220 9.3062 125.5231 54.8930 33.4480 174.8317 60 T 4.8512 8.6831 117.0489 60.5838 71.4628 172.3658 61 I 4.5595 8.0969 128.9475 60.3515 38.3396 175.2700 62 V 4.6974 8.5907 119.8805 59.5026 36.9316 175.0382 63 S 4.6354 8.4828 116.0367 57.6299 64.1652 175.0339 64 E 3.9092 8.8346 120.2142 59.7958 29.1836 179.6439 65 E 3.9270 8.0508 117.7433 59.5271 29.5976 179.4833 66 V 3.6016 7.6400 117.8943 65.6564 31.4454 177.8133 67 A 3.9476 8.1495 120.7600 55.3729 18.2178 179.7455 68 L 3.9538 7.7484 116.9814 57.5985 41.6183 180.0480 69 R 3.9097 7.7989 118.1567 59.1937 29.9207 179.0778 70 I 3.7043 7.9373 119.6834 64.4150 37.0584 178.5219 71 L 3.9525 8.0769 119.9655 57.7933 41.4048 179.4024 72 Q 3.8918 8.3204 119.7182 59.0875 29.0023 178.2367 73 R 3.9517 8.1028 119.7239 59.4339 30.1186 178.4972 74 L 4.2615 8.2573 119.0179 57.9872 41.4511 179.2301 75 Q 3.6974 8.0726 118.4936 58.9731 28.9786 177.8501 76 E 4.0817 8.2379 119.2640 59.3012 29.9400 177.9223 77 E 4.3688 8.7121 116.5488 57.4720 30.4176 177.0884 78 Y 4.6789 8.0943 115.3432 59.5391 39.9933 177.6300 79 F 3.9823 9.0811 119.0045 60.2230 39.3138 176.0672 80 P 4.0931 0.0000 0.0000 65.0504 31.2414 176.7702 81 H 4.5150 7.2138 111.6634 55.8758 29.5648 174.0057 82 Y 4.7220 7.6719 115.4091 55.7907 41.7229 174.9825 83 A 4.2828 8.5597 124.4478 51.4928 18.2147 177.0283 84 V 4.6097 7.6265 120.8349 61.7852 35.0352 174.6868 85 I 4.8415 8.6031 126.2777 59.5492 40.5253 174.4969 86 A 5.3004 8.9600 127.2496 50.8727 22.2757 174.5696 87 Y 5.0540 8.4541 119.4907 56.0304 42.2036 173.8470 88 V 5.0663 8.4434 118.0627 60.1602 34.5875 174.5172 89 E 4.8971 9.2604 121.6951 54.5659 33.9399 174.1025 90 N 5.0528 8.7134 120.2636 53.0906 40.1485 174.5711 91 V 4.7832 8.6461 117.8582 59.6588 36.8909 173.9286 92 W 4.8945 8.9596 122.0908 54.9549 31.4454 175.2657 93 V 4.5030 8.9135 125.0090 60.6897 33.8986 174.8128 94 V 4.1903 8.5823 127.8054 63.5804 31.8160 175.6040 95 R 4.3287 8.5818 126.0956 55.9859 28.4241 178.5255 96 G 3.9568 8.1780 107.2577 47.7958 0.0000 176.1042 97 E 3.9681 8.4940 120.1782 59.4455 29.6072 179.4665 98 K 3.7965 7.4514 115.9479 59.8678 32.4594 177.5346 99 Y 4.2820 7.8699 115.6958 59.0506 38.2776 175.6290 100 V 3.8062 7.5610 124.4456 63.0399 31.5464 175.3648 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 D 8.22 4.73 0.00 2.85 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 3 L 8.47 5.22 0.00 1.80 1.94 0.97 0.79 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 4 V 8.55 4.50 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 0.79 0.00 0.00 0.89 0.00 0.00 5 P 0.00 3.74 0.00 1.47 0.49 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 6 L 8.60 4.54 0.00 1.40 1.68 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.01 5.04 0.00 1.54 1.62 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.45 7.81 8 L 8.91 4.87 0.00 1.66 1.49 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.57 4.61 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 0.81 0.00 0.00 0.88 0.00 0.00 10 T 8.51 4.92 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 0.97 0.00 0.00 11 I 8.76 5.03 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.79 0.80 0.00 0.00 12 V 8.78 4.97 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 1.41 0.00 0.00 0.99 0.00 0.00 13 A 8.22 4.78 1.12 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 0.00 0.00 14 E 8.62 4.31 0.00 2.00 1.88 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 2.41 2.34 0.00 15 S 9.09 4.11 0.00 4.02 4.16 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 16 L 7.85 4.14 0.00 1.61 1.75 0.93 0.95 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 17 L 7.77 4.30 0.00 1.70 1.54 0.42 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.97 3.78 0.00 2.13 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 2.22 2.25 0.00 19 K 7.97 3.79 0.00 1.84 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.49 7.81 20 R 7.88 3.89 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 21 L 7.94 3.71 0.00 1.52 1.46 0.74 0.08 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 22 V 7.93 3.19 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 0.76 0.00 0.00 0.11 0.00 0.00 23 E 8.16 3.94 0.00 2.29 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 2.47 0.00 24 E 8.39 3.98 0.00 2.04 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 2.59 2.61 0.00 25 V 7.80 3.64 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 0.92 0.00 0.00 26 K 7.93 4.25 0.00 1.84 1.88 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.49 7.81 27 R 7.88 3.94 0.00 1.88 2.29 0.00 3.45 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 28 L 7.65 4.41 0.00 1.67 1.69 0.98 1.04 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 29 G 7.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.39 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 31 K 8.54 4.46 0.00 1.89 1.87 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.61 7.81 32 G 7.35 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 33 Y 7.44 4.90 0.00 2.88 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 34 T 8.98 4.73 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 1.18 0.00 0.00 35 I 8.51 5.14 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.94 0.00 0.00 36 T 8.65 4.77 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 1.10 0.00 0.00 37 P 0.00 4.85 0.00 2.24 2.11 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 38 A 9.12 5.27 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 R 8.72 4.90 0.00 1.66 1.75 0.00 2.57 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 40 G 8.09 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 0.00 0.00 0.00 41 E 8.99 3.53 0.00 1.91 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 2.30 2.40 0.00 42 G 8.52 3.52 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 0.00 0.00 0.00 *50 D 8.22 4.40 0.00 2.47 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 0.00 0.00 0.00 51 W 7.91 4.28 0.00 3.36 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 52 E 7.62 4.59 0.00 1.87 1.90 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 2.33 2.33 0.00 53 G 8.94 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 0.00 0.00 0.00 54 Q 7.46 4.67 0.00 2.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.61 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 55 N 9.36 5.56 0.00 2.75 2.85 0.00 0.00 6.86 6.98 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 56 I 8.75 5.09 1.87 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 1.17 0.83 0.93 0.00 0.00 57 R 9.14 4.80 0.00 1.86 1.82 0.00 3.12 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 58 L 9.16 5.14 0.00 1.60 1.55 0.85 0.82 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 59 E 9.31 5.22 0.00 1.86 1.72 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 2.12 2.16 0.00 60 T 8.68 4.85 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 1.17 0.00 0.00 61 I 8.10 4.56 0.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 0.53 0.00 0.00 62 V 8.59 4.70 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 0.71 0.00 0.00 0.89 0.00 0.00 63 S 8.48 4.64 0.00 3.98 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 64 E 8.83 3.91 0.00 2.00 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 2.37 2.36 0.00 65 E 8.05 3.93 0.00 2.04 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 2.39 2.41 0.00 66 V 7.64 3.60 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 0.98 0.00 0.00 67 A 8.15 3.95 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 68 L 7.75 3.95 0.00 1.65 1.72 0.91 1.37 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 69 R 7.80 3.91 0.00 2.08 1.98 0.00 3.13 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 1.65 1.78 0.00 70 I 7.94 3.70 2.00 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 1.50 0.83 0.86 0.00 0.00 71 L 8.08 3.95 0.00 1.65 1.67 0.91 1.01 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 72 Q 8.32 3.89 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 73 R 8.10 3.95 0.00 2.09 2.18 0.00 3.73 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 74 L 8.26 4.26 0.00 1.99 2.04 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.07 3.70 0.00 1.78 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 76 E 8.24 4.08 0.00 2.05 2.24 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 2.36 2.37 0.00 77 E 8.71 4.37 0.00 2.18 1.79 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 2.31 2.41 0.00 78 Y 8.09 4.68 0.00 3.34 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 79 F 9.08 3.98 0.00 3.33 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 80 P 0.00 4.09 0.00 1.65 2.01 0.00 3.63 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 81 H 7.21 4.51 0.00 2.56 2.71 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.67 4.72 0.00 3.09 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 83 A 8.56 4.28 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 84 V 7.63 4.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 0.00 0.00 85 I 8.60 4.84 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 1.17 0.00 0.00 86 A 8.96 5.30 1.39 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 0.00 0.00 0.00 87 Y 8.45 5.05 0.00 3.00 3.06 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 88 V 8.44 5.07 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 0.80 0.00 0.00 0.96 0.00 0.00 89 E 9.26 4.90 0.00 1.94 1.89 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 2.31 2.43 0.00 90 N 8.71 5.05 0.00 2.76 2.79 0.00 0.00 6.78 7.71 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 91 V 8.65 4.78 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 0.68 0.00 0.00 0.91 0.00 0.00 92 W 8.96 4.89 0.00 3.15 3.26 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 93 V 8.91 4.50 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 1.03 0.00 0.00 0.87 0.00 0.00 94 V 8.58 4.19 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 0.87 0.00 0.00 0.99 0.00 0.00 95 R 8.58 4.33 0.00 2.03 1.94 0.00 3.35 0.00 0.00 3.51 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 96 G 8.18 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 0.00 0.00 0.00 97 E 8.49 3.97 0.00 2.06 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 2.40 2.39 0.00 98 K 7.45 3.80 0.00 1.62 1.75 0.00 0.85 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.05 0.21 7.81 99 Y 7.87 4.28 0.00 3.08 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 0.00 100 V 7.56 3.81 2.22 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.