NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8533 8.3033 120.3604 55.5528 31.3127 173.7670 2 L 4.0905 8.2588 127.0375 57.7418 41.5654 175.0317 3 V 3.7571 9.0776 119.2134 66.0606 31.9886 177.6191 4 Q 4.1674 8.4323 118.1159 58.4278 28.5168 178.2053 5 F 4.5068 8.2167 121.6553 61.2517 39.5104 176.4129 6 N 4.2623 8.5610 116.9390 56.7798 38.5749 177.0968 7 G 3.8221 7.8752 105.6371 48.0625 0.0000 175.3022 8 M 4.3539 8.1241 120.9667 58.3937 31.9273 178.9095 9 I 3.5837 7.7315 119.9055 64.1440 37.0043 178.7228 10 R 4.0927 8.0482 119.2647 59.0926 29.5120 178.1338 11 C 4.3116 8.0007 118.9820 59.6492 43.4560 175.3612 12 T 4.1701 7.7922 109.1196 62.3140 70.4659 174.8780 13 I 4.5821 7.8290 122.3862 57.8285 37.6077 173.4916 14 P 4.5026 0.0000 0.0000 64.6633 31.6226 177.7346 15 G 3.8682 7.9639 103.8591 45.7207 0.0000 173.5963 16 S 4.5521 8.0102 115.4981 57.8280 64.4305 174.6845 17 I 4.3731 8.7540 123.3843 58.1402 36.7503 174.1296 18 P 4.4144 0.0000 0.0000 65.6485 31.4813 177.5644 19 W 4.4439 8.2473 114.6945 58.6010 27.8921 176.8689 20 W 4.5480 6.8589 127.0099 59.3940 31.3360 177.1254 21 D 4.0052 8.1620 117.3490 56.2824 40.0792 176.7738 22 Y 4.7850 7.6183 114.0489 57.4528 39.2397 176.5091 23 S 4.5180 7.9903 115.7701 60.2764 63.9014 173.3891 24 D 5.0289 7.5214 120.4858 52.8544 41.5877 171.5268 25 Y 4.6368 8.9641 123.1707 56.0556 42.8177 175.7476 26 G 3.9365 8.0345 116.0150 46.8451 0.0000 172.7595 27 C 4.4982 9.2209 114.2267 57.7319 41.2883 174.7608 28 Y 4.1942 8.9511 115.9613 58.7047 39.9313 175.0696 29 C 4.4066 8.3242 117.9000 60.3763 39.8334 172.0879 30 G 4.3020 9.5179 109.7794 43.6034 0.0000 172.4466 31 S 3.9607 8.7166 113.6595 59.8335 62.8045 176.1365 32 G 3.9261 8.8857 114.5386 45.4690 0.0000 172.4642 33 G 4.3142 8.0116 106.2792 45.9326 0.0000 172.4812 34 S 4.2713 7.4943 115.8032 58.1092 65.6784 175.8333 35 G 3.8564 8.4227 108.5774 45.4611 0.0000 172.4385 36 T 4.5490 8.2821 115.7112 61.3758 69.8469 173.0672 37 P 4.6979 0.0000 0.0000 63.7305 31.9150 177.8235 *38 V 3.8640 9.7369 120.7865 63.4731 32.3279 174.3399 39 D 4.6617 7.5156 115.7500 52.1954 41.3931 175.0065 40 E 3.9161 9.0423 117.9531 59.9873 29.7320 178.5542 41 L 3.9016 7.8468 119.6078 58.3198 42.3465 178.3851 42 D 4.6044 8.8223 120.1295 57.9333 41.1636 179.0959 43 R 3.9781 7.8976 121.2964 61.3919 29.3827 182.3968 44 C 4.6017 8.1835 116.8598 60.3132 36.3716 175.6191 45 C 4.3990 8.1904 117.7111 59.8453 35.1797 175.7453 46 Q 3.3596 7.8761 121.0012 58.8579 28.5124 178.4342 47 V 3.5095 7.5919 119.0622 66.0753 31.5202 177.5274 48 H 3.9557 8.3336 118.0056 59.3255 29.7151 176.8568 49 D 4.3217 8.5878 121.0332 57.3477 40.5989 178.3768 50 N 4.2977 8.0561 117.2178 56.9119 38.9400 175.8628 51 C 4.2695 8.2177 119.7888 60.1452 43.4198 175.2369 52 Y 3.9854 8.0140 117.0208 61.4150 37.6785 178.3167 53 T 4.3764 8.1317 118.0124 66.2570 68.5930 176.7687 54 Q 3.9793 8.4927 119.8693 58.7997 28.6404 178.1510 55 A 3.7266 8.2999 119.4901 53.7051 17.9541 178.6429 56 Q 4.3441 7.6782 116.4669 57.5986 28.9870 177.5426 57 Q 3.9948 7.6508 119.6161 57.7272 29.4212 176.2822 58 L 3.9401 6.8753 118.4999 54.4128 42.0938 176.3055 59 T 3.5225 8.7339 116.6513 63.8593 67.4196 173.7498 60 E 3.5771 8.4188 126.3567 57.3566 27.5690 173.6199 61 C 4.5025 7.4377 119.7630 54.2311 46.1789 172.7019 *67 S 4.9941 8.7289 121.1923 57.3633 62.3591 172.4654 68 P 3.7648 0.0000 0.0000 65.4829 31.0873 177.3977 69 Y 4.4010 7.4269 117.0554 59.9925 38.0496 177.1458 70 S 4.4225 7.8035 111.5819 58.0653 65.1364 174.1974 71 K 3.8298 8.1086 123.0176 56.7164 32.0248 175.8527 72 R 4.3594 8.5516 126.0629 55.0988 30.8944 175.5079 73 Y 4.8714 8.1671 121.4742 55.2352 40.7180 174.6657 74 S 5.0681 9.8174 115.8673 56.9838 63.9326 172.4302 75 Y 5.4669 8.7648 124.0803 55.6735 41.6267 173.5117 76 D 4.6948 9.7121 119.6146 52.4632 44.9847 173.8666 77 C 5.2556 8.4793 123.3843 55.1872 45.4744 173.3306 78 S 4.5382 8.3072 130.1887 58.4519 63.3205 176.6487 79 E 4.2677 8.4790 117.5929 55.9455 27.1080 174.3845 80 G 4.2640 8.2460 109.1093 45.5402 0.0000 172.4982 81 T 4.0235 7.6728 116.5788 63.0435 69.0976 172.6301 82 L 5.2067 8.3990 128.1206 53.7709 43.9978 175.5127 83 T 4.6580 8.8669 122.0268 62.0587 72.6182 172.2312 84 C 4.8739 8.8327 124.0871 55.3704 39.3556 173.7666 85 K 4.1626 8.8528 124.0489 56.8565 32.4934 178.3266 86 A 3.9512 8.7068 125.0823 54.3012 18.7359 178.6021 87 D 4.5263 8.0217 114.1269 54.8570 40.1010 176.5948 88 N 4.2483 7.3323 117.5292 53.8951 39.1625 175.1988 89 D 4.6992 8.4356 121.5459 52.6426 42.2302 176.5980 90 E 3.9065 8.6622 118.5441 59.7221 29.4559 179.3199 91 C 4.1810 8.1650 117.5768 59.7600 44.6705 175.0586 92 A 4.0873 9.0837 122.4994 55.1216 17.9509 179.4497 93 A 3.8805 8.3092 119.3031 55.2721 18.5515 179.4739 94 F 3.8432 8.1697 119.0033 61.5692 39.6006 177.5214 95 V 3.5389 8.4486 118.1139 66.1455 31.3296 177.1624 96 C 2.9900 8.2489 118.3173 58.9987 43.6513 175.4049 97 D 4.0729 7.5797 120.6277 57.3000 40.2662 177.8055 98 C 4.0193 7.6823 116.9596 60.2774 37.4825 176.1426 99 D 3.7181 7.7243 119.9471 56.8624 40.3603 178.7157 100 R 3.7166 7.7422 119.2183 59.5410 30.1629 178.5686 101 V 3.4977 7.6689 117.6508 66.0722 31.3994 177.9057 102 A 3.9007 7.7187 119.9150 54.9670 18.0815 179.4263 103 A 3.5689 8.2728 119.7169 55.2117 18.1656 180.0285 104 I 3.6689 7.5697 117.4479 64.4296 37.4823 177.4994 105 C 4.4262 8.2186 119.3123 59.8055 39.7360 175.3937 106 F 4.0380 8.8354 119.5308 60.8355 38.2950 177.6146 107 A 4.1925 7.8932 118.6427 54.0168 18.2491 178.7641 108 G 3.8623 8.0130 101.9945 43.8583 0.0000 173.4233 109 A 4.7487 6.9859 123.8483 49.7322 20.9460 175.2515 110 P 4.4305 0.0000 0.0000 62.3906 32.1885 175.8089 111 Y 4.3601 8.4543 122.4617 56.3137 38.9471 175.3002 112 N 4.6950 8.6604 127.0759 51.2700 38.5746 175.9243 113 K 3.6061 8.5499 124.6333 59.3719 32.3755 179.2468 114 E 3.8734 8.0212 115.1965 58.9437 29.6410 177.1653 115 N 4.3760 8.3500 116.3658 52.7840 38.5561 174.2502 116 I 4.0278 7.0634 119.9673 61.5404 38.6421 175.6082 117 N 4.4582 8.7534 122.0065 53.3087 37.3511 172.9338 118 I 4.1558 6.8685 112.1471 59.6319 40.2862 177.0278 119 D 4.5987 8.0946 121.3395 52.6917 39.4172 176.0491 120 T 3.8587 8.0972 114.2952 64.4491 69.0026 177.2372 121 T 3.8785 7.9933 111.1251 63.9046 68.8468 174.5634 122 T 4.3442 7.8154 110.5958 63.1038 70.0520 176.1283 123 R 4.0803 7.8821 118.9960 57.4091 30.6150 177.0941 124 C 4.5385 7.9159 120.0470 56.9048 41.5437 173.5373 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 1 H 8.30 4.85 0.00 3.20 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.26 4.09 0.00 1.91 2.00 1.17 0.92 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 3 V 9.08 3.76 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 1.10 0.00 0.00 1.00 0.00 0.00 4 Q 8.43 4.17 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 5 F 8.22 4.51 0.00 3.29 3.34 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 6 N 8.56 4.26 0.00 3.12 3.17 0.00 0.00 7.11 7.54 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 7 G 7.88 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 8 M 8.12 4.35 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 9 I 7.73 3.58 1.77 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.10 0.75 0.00 0.00 10 R 8.05 4.09 0.00 2.10 2.02 0.00 3.20 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 11 C 8.00 4.31 0.00 3.19 3.33 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 12 T 7.79 4.17 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 1.22 0.00 0.00 13 I 7.83 4.58 2.02 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 1.32 0.82 0.93 0.00 0.00 14 P 0.00 4.50 0.00 2.04 2.15 0.00 3.73 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 15 G 7.96 3.87 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 0.00 0.00 0.00 16 S 8.01 4.55 0.00 4.06 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 17 I 8.75 4.37 1.69 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 1.26 0.74 0.35 0.00 0.00 18 P 0.00 4.41 0.00 2.44 2.12 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 19 W 8.25 4.44 0.00 3.77 3.38 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 20 W 6.86 4.55 0.00 1.78 2.38 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 21 D 8.16 4.01 0.00 2.02 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 22 Y 7.62 4.78 0.00 2.99 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 23 S 7.99 4.52 0.00 4.16 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 24 D 7.52 5.03 0.00 2.63 2.38 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 25 Y 8.96 4.64 0.00 2.93 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 26 G 8.03 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 27 C 9.22 4.50 0.00 3.18 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 28 Y 8.95 4.19 0.00 3.26 3.05 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 29 C 8.32 4.41 0.00 3.45 3.44 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 30 G 9.52 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 31 S 8.72 3.96 0.00 4.02 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 32 G 8.89 3.93 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 0.00 33 G 8.01 4.31 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 0.00 34 S 7.49 4.27 0.00 3.88 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 35 G 8.42 3.86 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 0.00 0.00 0.00 36 T 8.28 4.55 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 1.25 0.00 0.00 37 P 0.00 4.70 0.00 2.07 2.04 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 *38 V 9.74 3.86 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 0.73 0.00 0.00 0.93 0.00 0.00 39 D 7.52 4.66 0.00 2.84 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 40 E 9.04 3.92 0.00 1.97 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 0.00 2.32 2.38 0.00 41 L 7.85 3.90 0.00 1.57 1.46 0.29 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.82 4.60 0.00 3.20 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 43 R 7.90 3.98 0.00 1.90 1.92 0.00 3.33 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 44 C 8.18 4.60 0.00 3.25 3.50 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 45 C 8.19 4.40 0.00 3.29 3.30 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 46 Q 7.88 3.36 0.00 0.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.00 1.47 0.00 47 V 7.59 3.51 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 0.89 0.00 0.00 0.96 0.00 0.00 48 H 8.33 3.96 0.00 3.26 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.59 4.32 0.00 3.05 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 50 N 8.06 4.30 0.00 2.89 3.00 0.00 0.00 6.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.22 4.27 0.00 3.16 3.21 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 52 Y 8.01 3.99 0.00 3.00 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 53 T 8.13 4.38 4.48 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 1.26 0.00 0.00 54 Q 8.49 3.98 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 55 A 8.30 3.73 1.52 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 56 Q 7.68 4.34 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 57 Q 7.65 3.99 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 58 L 6.88 3.94 0.00 1.86 1.45 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.73 3.52 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 1.18 0.00 0.00 60 E 8.42 3.58 0.00 2.02 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 2.22 2.27 0.00 61 C 7.44 4.50 0.00 2.86 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 *67 S 8.73 4.99 0.00 3.94 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 68 P 0.00 3.76 0.00 0.49 0.79 0.00 3.44 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.56 0.00 69 Y 7.43 4.40 0.00 3.06 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 70 S 7.80 4.42 0.00 3.97 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 71 K 8.11 3.83 0.00 1.79 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.29 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 72 R 8.55 4.36 0.00 1.82 1.78 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 73 Y 8.17 4.87 0.00 3.09 3.10 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 74 S 9.82 5.07 0.00 3.96 3.87 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 75 Y 8.76 5.47 0.00 3.17 2.88 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 76 D 9.71 4.69 0.00 2.66 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 77 C 8.48 5.26 0.00 3.11 2.93 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 78 S 8.31 4.54 0.00 3.93 3.71 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 79 E 8.48 4.27 0.00 1.94 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 2.31 2.37 0.00 80 G 8.25 4.26 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 0.00 81 T 7.67 4.02 4.25 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 1.22 0.00 0.00 82 L 8.40 5.21 0.00 1.63 1.56 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.87 4.66 4.26 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 1.22 0.00 0.00 84 C 8.83 4.87 0.00 2.79 2.97 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 85 K 8.85 4.16 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 86 A 8.71 3.95 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 87 D 8.02 4.53 0.00 2.82 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 N 7.33 4.25 0.00 2.63 2.98 0.00 0.00 6.99 7.94 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 89 D 8.44 4.70 0.00 2.91 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 90 E 8.66 3.91 0.00 2.05 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 2.34 2.38 0.00 91 C 8.16 4.18 0.00 3.00 3.05 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 92 A 9.08 4.09 1.50 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 0.00 0.00 93 A 8.31 3.88 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 94 F 8.17 3.84 0.00 3.27 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 95 V 8.45 3.54 2.21 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 0.93 0.00 0.00 0.92 0.00 0.00 96 C 8.25 2.99 0.00 2.44 2.88 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 97 D 7.58 4.07 0.00 2.70 2.32 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 98 C 7.68 4.02 0.00 3.15 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 99 D 7.72 3.72 0.00 2.59 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 0.00 100 R 7.74 3.72 0.00 1.81 1.90 0.00 3.06 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 101 V 7.67 3.50 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 0.89 0.00 0.00 0.82 0.00 0.00 102 A 7.72 3.90 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 0.00 103 A 8.27 3.57 1.29 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 0.00 0.00 104 I 7.57 3.67 1.97 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 1.38 0.69 0.90 0.00 0.00 105 C 8.22 4.43 0.00 3.22 3.39 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 0.00 106 F 8.84 4.04 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.19 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 0.00 108 G 8.01 3.86 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 0.00 0.00 0.00 109 A 6.99 4.75 1.27 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 0.00 0.00 110 P 0.00 4.43 0.00 2.09 2.02 0.00 3.68 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 2.15 2.08 0.00 111 Y 8.45 4.36 0.00 2.84 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 0.00 112 N 8.66 4.69 0.00 2.79 2.70 0.00 0.00 6.61 7.30 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 0.00 113 K 8.55 3.61 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.46 7.81 114 E 8.02 3.87 0.00 1.97 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 2.20 0.00 115 N 8.35 4.38 0.00 2.05 1.85 0.00 0.00 6.83 8.18 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 0.00 116 I 7.06 4.03 1.74 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 0.98 0.23 0.74 0.00 0.00 117 N 8.75 4.46 0.00 2.58 2.65 0.00 0.00 7.13 7.90 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 0.00 118 I 6.87 4.16 1.76 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 1.15 0.65 0.74 0.00 0.00 119 D 8.09 4.60 0.00 2.74 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 0.00 120 T 8.10 3.86 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 1.22 0.00 0.00 121 T 7.99 3.88 4.22 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 1.19 0.00 0.00 122 T 7.82 4.34 4.22 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 1.21 0.00 0.00 123 R 7.88 4.08 0.00 1.77 1.98 0.00 3.09 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 124 C 7.92 4.54 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.