NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3795 0.0000 0.0000 62.7967 32.2678 175.0349 8 V 3.8782 8.1536 117.5731 60.5946 32.9121 174.4337 9 K 4.2993 8.1260 122.2208 55.6066 34.1585 177.3423 10 P 4.1211 0.0000 0.0000 64.5315 32.7986 174.9238 11 Y 4.6810 7.3883 116.9254 56.1389 40.3449 174.6708 12 D 4.8828 8.3902 123.1268 52.9286 45.1094 173.7846 13 L 5.4066 8.7535 124.6326 53.2814 45.5795 175.6095 14 T 4.7067 8.7622 113.9681 59.9633 71.3177 173.4472 15 V 5.1575 8.5149 124.5154 61.1107 34.0621 174.5564 16 S 4.8355 9.0252 121.9319 56.4690 66.0672 173.0524 17 V 4.7604 8.1449 121.5180 61.3487 34.6793 174.8338 18 T 4.4803 8.5963 124.0372 61.2438 70.6899 172.1280 19 P 5.4107 0.0000 0.0000 61.9122 34.0523 175.3965 20 R 4.7661 8.4456 113.8075 55.7698 32.7033 173.4297 21 Y 3.7507 9.2113 125.8805 58.0640 39.7925 176.2953 22 V 3.9364 7.1926 125.0656 60.0052 32.3418 174.0472 23 P 4.0842 0.0000 0.0000 64.5090 31.5010 178.7538 24 E 4.0622 8.1094 115.6342 58.9964 29.4720 177.0900 25 Q 4.7746 7.5453 116.7574 55.1192 28.6408 175.3353 26 S 4.4904 8.3102 113.2914 58.1083 67.0602 172.5455 27 D 5.0338 8.6432 123.6794 51.4568 41.3126 174.5475 28 P 3.5460 0.0000 0.0000 64.3332 31.7322 179.4003 29 S 4.2405 8.0524 114.6103 60.9418 62.6683 174.4191 30 Q 4.5550 7.9738 119.7355 55.6791 29.6898 175.7308 31 Q 4.1131 7.8453 113.1572 57.2133 27.2068 173.6794 32 Q 4.7349 7.0076 118.9223 54.8826 28.6028 172.9772 33 Y 4.9084 9.3644 121.6189 56.4251 40.4291 174.5364 34 V 4.8274 8.2141 123.2753 61.3617 34.2501 173.9116 35 F 5.0885 9.4699 127.0735 55.7972 41.7153 174.7339 36 A 5.3373 8.8953 123.9014 50.3738 21.7668 175.1996 37 Y 5.2111 9.1116 119.3919 55.5717 41.9712 174.2911 38 T 4.9062 8.5502 117.6549 61.7642 71.9817 173.2137 39 V 4.7932 8.4218 125.1331 61.0843 35.0012 174.5911 40 R 4.7452 9.2098 125.8777 54.6751 33.2306 174.4421 41 I 5.0053 8.7400 126.2261 60.0529 39.2283 175.2181 42 T 5.0487 8.6664 123.8034 61.6046 72.2677 173.2938 43 N 4.6988 9.4706 125.5679 53.4118 38.6464 175.2854 44 T 4.0514 8.6740 117.8515 64.1886 70.0725 175.3467 45 G 3.9750 8.1462 108.9606 46.0439 0.0000 173.7218 46 S 4.6805 9.1289 113.1710 58.9710 64.0639 173.5643 47 H 4.8868 7.8913 117.1759 53.1129 32.3278 171.8340 48 P 4.7839 0.0000 0.0000 63.1420 32.5513 175.2795 49 A 5.3301 8.8962 123.3284 50.7356 23.4665 174.6952 50 Q 4.9407 9.1945 119.7071 54.3571 33.2234 173.9929 51 V 4.1442 8.4599 125.2062 62.2715 32.6099 175.2772 52 I 4.2473 8.7308 128.7677 62.4967 38.6221 175.6775 53 S 5.0583 7.7250 114.6221 56.6434 66.9618 172.0464 54 R 5.1376 8.7117 116.3262 54.7814 33.2019 174.0551 55 H 5.1199 8.6378 119.4204 54.6397 33.1926 171.8491 56 W 5.2904 9.4881 126.1829 55.1317 32.1566 175.0957 57 I 4.8113 9.2218 125.8197 59.3698 37.7794 173.7852 58 I 4.2264 8.4916 120.8090 59.9678 39.5027 174.9243 59 T 4.7769 8.8770 124.3500 61.7130 70.4808 174.3880 60 D 4.6692 9.5388 126.9185 53.4767 42.0072 177.3309 61 G 3.8435 8.7681 113.3247 48.0793 0.0000 174.2632 62 E 4.4379 8.1719 118.5300 55.9805 29.8546 176.2060 63 E 4.1571 8.4381 117.1980 56.9581 28.8682 174.1699 64 R 4.3251 7.3086 116.0378 55.6064 31.3591 175.7310 65 V 4.8636 8.2879 121.7074 61.4137 34.7756 174.7070 66 Q 4.6114 8.6019 123.2769 54.3806 32.9953 173.5851 67 E 5.2711 8.9629 124.1425 54.4957 32.6131 174.9603 68 V 4.6751 8.8846 123.8293 61.3272 35.2448 174.5870 69 R 5.0751 8.6457 125.6468 55.0583 33.8759 174.3455 70 G 4.1569 8.6738 110.1878 45.6515 0.0000 171.3566 71 L 4.7112 8.5294 119.9285 54.2791 42.9861 178.5181 72 G 3.7421 9.5113 114.8268 44.8139 0.0000 173.0755 73 V 4.0015 8.2850 112.0293 59.8974 33.0094 176.9535 74 V 3.0382 9.1776 126.6901 62.7177 29.9543 173.4156 75 G 3.9121 8.2811 101.9881 47.4429 0.0000 173.5529 76 Q 4.5124 7.7230 117.0990 53.9847 32.7338 174.6066 77 Q 4.7927 8.1669 117.7728 51.7481 28.5541 172.8692 78 P 3.9831 0.0000 0.0000 63.1468 32.8836 176.6227 79 L 4.8236 8.3437 125.5228 53.4642 42.4396 174.1659 80 L 4.4259 8.8157 125.4972 53.4416 42.7466 176.9234 81 A 4.4473 9.2544 127.9222 50.7170 19.1156 174.7296 82 P 4.7760 0.0000 0.0000 63.8434 31.5276 175.7609 83 G 4.1010 8.9200 111.1618 45.4357 0.0000 173.7726 84 E 4.5397 8.3637 119.0169 56.4795 30.9433 176.2231 85 T 5.2013 8.2848 110.3457 60.4518 72.2498 172.6679 86 F 5.0794 9.5803 126.4913 56.3594 42.3284 173.6145 87 E 5.7297 8.0609 122.5905 53.6663 32.6434 174.2183 88 Y 4.8905 7.9733 117.9680 55.9728 42.0849 173.3934 89 T 4.9224 8.5248 116.3173 61.9576 71.4243 173.3023 90 S 4.5025 8.7141 119.7327 56.7889 66.7895 172.5117 91 G 4.4204 8.3660 109.3431 44.8693 0.0000 172.7772 92 C 4.9486 9.2018 120.8090 57.5036 34.7929 171.3289 93 P 5.3026 0.0000 0.0000 62.6256 32.7379 175.4353 94 L 4.9315 9.2449 120.9837 53.1000 46.2682 174.8594 95 P 5.7047 0.0000 0.0000 62.8425 32.0429 175.7009 96 T 4.5879 7.4100 109.1812 59.0382 71.6726 172.9250 97 P 3.4330 0.0000 0.0000 63.9852 31.7311 175.9548 98 I 4.7011 6.6590 112.2771 59.2735 40.3764 174.2713 99 G 3.9531 8.0929 108.5478 46.3451 0.0000 171.6927 100 T 5.5226 7.9110 109.9210 58.4932 72.3535 172.8519 *102 R 4.4011 8.4636 115.9533 57.1864 31.2905 175.2761 103 G 4.2983 7.7102 106.0196 47.3758 0.0000 171.9118 104 T 4.7908 7.6196 114.3963 61.7753 73.3321 172.7046 105 Y 5.1965 8.2138 121.1380 56.6334 41.2024 174.4651 106 H 4.8323 9.5997 122.8026 54.9941 30.4805 174.3300 107 C 5.2224 8.5676 120.5849 57.8639 32.4348 173.2772 108 V 4.8678 8.2126 111.9769 60.0421 35.9778 175.9683 109 G 3.7932 8.6595 112.7162 44.9728 0.0000 174.1822 110 E 4.5463 9.0873 118.4168 58.8589 29.6370 178.0365 111 N 4.5570 7.8372 115.4037 52.7894 37.4507 176.3612 112 G 3.9491 8.4761 107.7023 45.9319 0.0000 174.2627 113 I 3.9524 7.7700 122.3067 60.2109 37.7270 173.7679 114 P 5.1113 0.0000 0.0000 63.0892 32.3560 175.3908 115 F 4.9760 9.0096 114.8341 56.1766 41.4173 172.5435 116 E 5.0345 8.9573 120.1845 54.8175 31.7644 175.9624 117 V 4.5343 8.2132 122.9904 59.1209 33.6341 173.3237 118 P 4.6739 0.0000 0.0000 62.6490 32.5555 175.7994 119 I 4.4021 8.9151 123.6425 59.2677 38.9453 175.1279 120 A 4.1252 8.7172 129.6302 51.6122 19.1318 176.4417 121 E 3.7907 8.9691 122.8873 56.6498 29.9785 175.8494 122 F 5.1832 8.1702 121.1031 54.9164 41.5081 173.9959 123 L 4.9811 8.5355 118.9546 53.9813 43.2620 175.3890 124 L 4.7633 9.0377 120.4791 51.8600 44.4169 173.9199 125 A 5.0363 8.8669 128.7244 51.5644 22.5493 177.2221 *127 P 4.4088 0.0000 0.0000 64.6645 32.9500 176.5121 128 R 4.0595 8.0229 122.2774 56.7613 29.9213 176.1552 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 P 0.00 4.38 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 8 V 8.15 3.88 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 0.69 0.00 0.00 0.90 0.00 0.00 9 K 8.13 4.30 0.00 1.70 1.68 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.41 7.81 10 P 0.00 4.12 0.00 1.20 1.93 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 11 Y 7.39 4.68 0.00 2.25 1.71 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 12 D 8.39 4.88 0.00 2.75 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 13 L 8.75 5.41 0.00 1.69 1.65 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.76 4.71 4.29 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 1.26 0.00 0.00 15 V 8.51 5.16 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 1.21 0.00 0.00 16 S 9.03 4.84 0.00 3.87 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 17 V 8.14 4.76 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 0.00 0.00 0.40 0.00 0.00 0.81 0.00 0.00 18 T 8.60 4.48 4.20 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 1.20 0.00 0.00 19 P 0.00 5.41 0.00 2.28 2.29 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 20 R 8.45 4.77 0.00 1.93 2.16 0.00 2.81 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 21 Y 9.21 3.75 0.00 2.63 2.83 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 0.00 0.00 0.00 22 V 7.19 3.94 1.81 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 0.85 0.00 0.00 0.88 0.00 0.00 23 P 0.00 4.08 0.00 2.21 2.20 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 24 E 8.11 4.06 0.00 1.85 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 2.28 2.34 0.00 25 Q 7.55 4.77 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.58 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 26 S 8.31 4.49 0.00 3.92 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 27 D 8.64 5.03 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.55 0.00 2.24 2.11 0.00 3.71 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 2.03 2.00 0.00 29 S 8.05 4.24 0.00 4.16 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 30 Q 7.97 4.55 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.23 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 31 Q 7.85 4.11 0.00 2.40 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 32 Q 7.01 4.73 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 33 Y 9.36 4.91 0.00 3.35 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 34 V 8.21 4.83 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 1.03 0.00 0.00 0.93 0.00 0.00 35 F 9.47 5.09 0.00 3.16 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 36 A 8.90 5.34 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 37 Y 9.11 5.21 0.00 2.89 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 38 T 8.55 4.91 4.17 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 1.09 0.00 0.00 39 V 8.42 4.79 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 1.25 0.00 0.00 0.91 0.00 0.00 40 R 9.21 4.75 0.00 1.71 1.81 0.00 3.12 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 41 I 8.74 5.01 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 1.02 0.00 0.00 42 T 8.67 5.05 4.30 0.00 0.00 0.00 0.00 0.00 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 43 N 9.47 4.70 0.00 2.84 3.00 0.00 0.00 6.79 7.21 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 44 T 8.67 4.05 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 1.25 0.00 0.00 45 G 8.15 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 46 S 9.13 4.68 0.00 3.82 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 47 H 7.89 4.89 0.00 2.56 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.78 0.00 2.17 2.03 0.00 3.81 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 2.15 2.13 0.00 49 A 8.90 5.33 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.19 4.94 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 51 V 8.46 4.14 1.81 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 0.37 0.00 0.00 0.75 0.00 0.00 52 I 8.73 4.25 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.85 0.00 0.00 53 S 7.72 5.06 0.00 4.01 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 54 R 8.71 5.14 0.00 1.70 2.21 0.00 3.10 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 55 H 8.64 5.12 0.00 3.10 2.98 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.49 5.29 0.00 3.25 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 57 I 9.22 4.81 1.94 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 1.39 0.43 0.89 0.00 0.00 58 I 8.49 4.23 1.68 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 1.35 0.76 0.76 0.00 0.00 59 T 8.88 4.78 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 1.24 0.00 0.00 60 D 9.54 4.67 0.00 2.74 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 61 G 8.77 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 0.00 0.00 0.00 62 E 8.17 4.44 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 2.30 2.21 0.00 63 E 8.44 4.16 0.00 2.00 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 2.19 2.29 0.00 64 R 7.31 4.33 0.00 1.89 1.82 0.00 3.17 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 65 V 8.29 4.86 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 0.81 0.00 0.00 0.92 0.00 0.00 66 Q 8.60 4.61 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 67 E 8.96 5.27 0.00 2.01 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 2.40 2.47 0.00 68 V 8.88 4.68 2.40 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 1.21 0.00 0.00 1.06 0.00 0.00 69 R 8.65 5.08 0.00 1.70 1.79 0.00 3.42 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 70 G 8.67 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 0.00 0.00 0.00 71 L 8.53 4.71 0.00 1.52 1.56 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.51 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 0.00 0.00 0.00 73 V 8.29 4.00 0.97 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 0.63 0.00 0.00 0.76 0.00 0.00 74 V 9.18 3.04 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 0.72 0.00 0.00 0.98 0.00 0.00 75 G 8.28 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 0.00 0.00 0.00 76 Q 7.72 4.51 0.00 1.74 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 77 Q 8.17 4.79 0.00 1.75 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 78 P 0.00 3.98 0.00 1.92 1.46 0.00 3.26 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.26 0.00 79 L 8.34 4.82 0.00 1.62 1.61 0.93 1.06 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 80 L 8.82 4.43 0.00 1.72 1.66 1.07 0.97 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 81 A 9.25 4.45 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 82 P 0.00 4.78 0.00 2.18 2.16 0.00 3.35 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 83 G 8.92 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 84 E 8.36 4.54 0.00 2.15 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 2.36 2.29 0.00 85 T 8.28 5.20 4.40 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 1.25 0.00 0.00 86 F 9.58 5.08 0.00 3.08 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 87 E 8.06 5.73 0.00 1.94 1.71 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 1.99 1.90 0.00 88 Y 7.97 4.89 0.00 3.07 2.96 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 89 T 8.52 4.92 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 1.16 0.00 0.00 90 S 8.71 4.50 0.00 3.85 2.87 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 91 G 8.37 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.20 4.95 0.00 3.11 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 93 P 0.00 5.30 0.00 2.19 2.09 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 94 L 9.24 4.93 0.00 1.87 1.84 0.67 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.70 0.00 2.25 2.23 0.00 3.45 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.95 0.00 96 T 7.41 4.59 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 1.25 0.00 0.00 97 P 0.00 3.43 0.00 1.99 1.84 0.00 3.36 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 98 I 6.66 4.70 1.77 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 1.15 0.48 0.85 0.00 0.00 99 G 8.09 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 0.00 100 T 7.91 5.52 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 1.06 0.00 0.00 *102 R 8.46 4.40 0.00 1.93 2.07 0.00 2.96 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 103 G 7.71 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.79 4.02 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 0.00 0.00 1.19 0.00 0.00 105 Y 8.21 5.20 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.60 4.83 0.00 2.95 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.57 5.22 0.00 1.40 2.44 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 0.00 108 V 8.21 4.87 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 0.72 0.00 0.00 0.92 0.00 0.00 109 G 8.66 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 0.00 0.00 0.00 110 E 9.09 4.55 0.00 2.08 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 2.63 2.44 0.00 111 N 7.84 4.56 0.00 3.03 3.10 0.00 0.00 7.00 6.88 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 0.00 112 G 8.48 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 0.00 113 I 7.77 3.95 1.86 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 1.33 0.71 0.91 0.00 0.00 114 P 0.00 5.11 0.00 2.05 2.01 0.00 3.80 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 1.99 1.94 0.00 115 F 9.01 4.98 0.00 3.10 3.08 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 0.00 116 E 8.96 5.03 0.00 1.91 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 2.29 2.34 0.00 117 V 8.21 4.53 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 0.92 0.00 0.00 1.14 0.00 0.00 118 P 0.00 4.67 0.00 2.07 2.07 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 119 I 8.92 4.40 1.89 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 0.65 0.29 1.17 0.00 0.00 120 A 8.72 4.13 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 0.00 121 E 8.97 3.79 0.00 1.90 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 2.18 2.15 0.00 122 F 8.17 5.18 0.00 3.06 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 0.00 123 L 8.54 4.98 0.00 1.63 1.57 0.89 0.59 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 0.00 124 L 9.04 4.76 0.00 0.69 0.13 0.46 0.22 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 0.00 125 A 8.87 5.04 0.93 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 0.00 0.00 0.00 0.00 0.00 *127 P 0.00 4.41 0.00 2.24 2.29 0.00 3.66 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 1.90 2.09 0.00 128 R 8.02 4.06 0.00 1.73 1.86 0.00 3.39 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.