NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4412 8.1749 117.3741 63.4363 70.1988 172.8437 2 S 4.6792 10.1215 122.1547 54.9689 65.8931 171.6604 3 I 5.2566 8.1534 117.9704 59.7474 41.1942 173.7395 4 M 4.8431 8.7021 119.4558 54.6925 35.0118 173.1909 5 A 5.0999 8.3684 120.4805 50.4659 22.3926 175.6407 6 V 4.5611 8.9975 122.5808 61.2089 34.7455 175.0900 7 T 4.9047 8.6354 117.4890 60.9523 70.7307 173.7185 8 F 4.8531 8.4907 116.5205 55.8400 40.8068 174.2651 9 K 3.7606 9.2158 120.8323 59.7970 31.6193 177.1979 10 D 4.6946 8.3673 114.4438 53.6597 43.1373 175.3263 11 G 4.2848 5.3800 111.8779 44.4767 0.0000 176.2677 12 V 5.1085 8.0230 118.3221 60.4087 34.1769 173.1712 13 I 4.7469 9.0212 121.6162 59.6464 41.1629 174.2575 14 L 5.1443 8.6096 125.4327 53.0101 44.1849 176.0339 15 G 4.3527 9.0876 109.0706 44.9217 0.0000 171.1022 16 A 5.5915 8.5066 121.1006 51.7964 22.2587 176.2747 17 D 4.8242 8.3859 119.3505 52.1980 42.5779 176.6568 18 S 4.8203 8.3469 113.4438 58.5707 64.7749 172.7286 19 R 5.0153 8.5019 121.3504 55.7131 31.4085 175.3832 20 T 4.7151 8.7812 116.5848 60.1541 71.2719 173.0093 21 T 5.0594 8.6653 116.4040 59.9671 72.1429 174.5070 22 T 4.4972 9.0111 113.4951 60.1221 69.8406 174.4916 23 G 4.0648 8.3602 121.4535 46.1860 0.0000 172.4942 24 A 4.4987 8.6400 127.2326 51.6779 19.6018 176.1687 25 Y 4.5319 7.5300 117.5485 56.2113 39.7412 174.9318 26 I 4.0368 7.4771 128.0468 59.8101 36.2564 175.2688 27 A 4.0721 8.3520 128.5348 54.3554 18.6797 177.5785 28 N 4.9044 8.2010 113.8910 51.9618 41.7283 174.7261 29 R 4.4408 8.6154 120.6320 56.5168 30.6433 176.7223 30 V 4.5249 8.0050 112.9545 61.2088 32.0386 176.3973 31 T 4.0301 8.1094 116.5678 63.8942 69.3582 174.3458 32 D 4.7514 8.6146 123.6534 52.5959 42.6022 174.9738 33 K 4.4487 8.5763 124.1382 56.2604 33.5913 176.1688 34 L 5.1193 8.2524 121.6602 53.8263 42.3716 175.7575 35 T 4.6078 8.7888 121.3831 61.6311 71.2370 173.8969 36 R 3.2586 7.9259 125.9675 55.0360 30.1534 176.1859 37 V 4.1252 8.0098 119.2543 62.0014 33.3465 174.5797 38 H 4.6848 7.4972 116.8716 54.9267 32.7623 172.5437 39 D 4.6532 8.4980 120.3802 57.3480 40.6727 179.3909 40 K 5.0524 8.1198 117.3766 56.2758 33.9425 175.4838 41 I 5.1535 8.2504 120.4470 59.7055 40.8783 174.8592 42 W 5.4916 9.7886 126.8533 55.0624 33.8122 173.7767 43 C 5.3037 9.4455 114.3798 57.3801 33.2859 172.6251 44 C 5.3121 9.0936 117.8497 58.1932 30.2982 173.0992 45 R 5.0173 8.6431 123.6099 54.6233 31.4171 175.9965 46 S 4.5599 8.9869 117.7560 57.3763 66.8386 173.5618 47 G 3.9239 8.7269 105.1046 44.0929 0.0000 172.8899 48 S 4.1498 9.2366 116.1141 58.1013 63.2783 175.8533 49 A 3.9714 8.8787 129.6537 55.3484 18.3090 179.5476 50 A 3.9572 7.9963 118.7253 55.4466 18.4603 179.4462 51 D 4.3289 8.1019 117.4844 57.7836 40.9366 179.1964 52 T 3.9781 8.2925 110.6899 64.8251 68.7552 176.5891 53 Q 3.9843 8.5228 121.1088 58.6986 28.9120 178.6586 54 A 4.0234 8.1134 121.6569 55.2695 18.3422 179.7839 55 I 3.6906 8.0578 118.1007 64.2967 37.1088 178.4520 56 A 4.0702 8.5394 122.0006 55.5638 18.3451 179.2834 57 D 4.3131 8.4971 117.6459 57.7369 40.7974 179.4989 58 I 3.7729 7.5763 119.7496 64.2890 37.0897 178.5577 59 V 3.4466 7.8236 119.2869 65.8396 31.1976 177.8473 60 Q 3.8794 8.2569 119.5985 59.1462 28.8945 177.5513 61 Y 3.9902 7.8235 120.0215 61.1487 38.8146 177.7345 62 H 3.8916 8.3471 117.0336 58.9874 28.7953 177.8468 63 L 4.0418 8.2384 120.8999 57.4395 41.4004 179.1108 64 E 3.9146 8.2068 119.6328 59.1045 29.4260 178.6495 65 L 3.8181 7.6752 120.4941 57.8689 42.0953 178.0700 66 Y 3.9471 8.1962 120.0092 61.4898 38.4876 177.8419 67 T 4.5952 8.1131 116.4654 66.1356 68.5877 176.4643 68 S 4.0846 7.6598 117.1912 61.6062 63.0972 176.7335 69 Q 3.9178 7.0941 118.8487 57.5095 28.9492 176.5449 70 Y 4.4728 7.1531 115.0537 57.8127 39.1259 175.8235 *72 G 4.1155 7.4736 108.5581 45.6357 0.0000 171.8829 73 T 4.2332 8.5680 116.5729 63.2312 68.8518 172.4184 74 P 4.4874 0.0000 0.0000 61.8915 32.9026 176.4530 75 S 4.4969 7.9923 114.9982 57.9667 65.6517 175.4684 76 T 3.8967 8.2001 118.6313 66.6523 68.2175 176.5159 77 E 4.0293 8.1733 120.8258 59.5923 29.5900 179.0109 78 T 3.7579 7.7035 115.1622 66.6091 68.4510 176.5563 79 A 3.9606 7.8446 122.1082 55.0959 18.3043 179.5878 80 A 4.1220 8.1587 119.4543 55.2547 18.3995 179.7317 81 S 4.0306 8.0571 111.7340 61.6594 62.5053 176.6453 82 V 3.5920 7.8796 120.8433 65.8074 31.1211 178.0374 83 F 4.0659 8.0293 117.3221 60.5688 38.8010 177.3969 84 K 3.9860 8.6898 119.6430 59.5450 31.8800 178.3618 85 E 3.9650 8.5859 119.8589 59.3008 29.5153 178.7594 86 L 4.0402 7.9837 118.9464 58.1708 41.5031 179.4135 87 C 4.2343 8.3690 115.7612 62.8639 28.3975 175.3552 88 Y 4.1955 8.4105 121.3234 60.7225 38.3161 177.2917 89 E 4.0799 8.3602 118.7074 58.2048 29.7117 176.8732 90 N 5.0088 7.7627 115.8019 52.4650 39.5026 176.2002 91 K 3.7584 7.6888 120.5070 60.4389 32.5899 177.4770 92 D 4.3758 7.6197 116.9448 56.0774 40.8675 177.1596 *94 N 5.1199 7.8380 115.2096 52.6489 40.0531 173.7958 95 L 5.0958 7.7670 116.5134 53.5384 45.5325 176.8394 96 T 4.7117 8.9046 117.9371 61.3605 69.6877 171.2527 97 A 5.0551 8.2686 124.3893 49.8688 22.8195 175.3210 98 G 4.1218 9.1429 110.2562 43.6838 0.0000 172.0700 99 I 4.9972 8.3629 126.5102 59.2296 40.2622 175.1356 100 I 4.3534 8.3128 127.0849 59.5115 39.4680 174.5608 101 V 4.7474 8.3753 126.9458 61.0471 33.2747 174.5778 102 A 4.8532 9.0987 129.2022 50.2917 22.2322 174.8824 103 G 4.5679 8.6521 107.1039 44.8027 0.0000 171.0602 104 Y 4.7124 9.1975 122.7005 55.4479 40.5942 175.2760 105 D 4.2588 7.7345 124.7820 54.1832 41.5291 175.2961 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 T 8.17 4.44 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 1.31 0.00 0.00 2 S 10.12 4.68 0.00 3.72 3.72 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 0.00 0.00 0.00 3 I 8.15 5.26 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.70 4.84 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 A 8.37 5.10 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 6 V 9.00 4.56 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 1.09 0.00 0.00 0.94 0.00 0.00 7 T 8.64 4.90 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 1.24 0.00 0.00 8 F 8.49 4.85 0.00 3.26 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 9 K 9.22 3.76 0.00 1.83 2.11 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.52 7.81 10 D 8.37 4.69 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 11 G 5.38 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 0.00 0.00 0.00 0.00 12 V 8.02 5.11 2.13 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 0.77 0.00 0.00 1.04 0.00 0.00 13 I 9.02 4.75 1.86 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 1.28 1.03 0.85 0.00 0.00 14 L 8.61 5.14 0.00 1.42 1.55 0.87 0.94 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 15 G 9.09 4.35 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 0.00 16 A 8.51 5.59 1.20 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 0.00 0.00 17 D 8.39 4.82 0.00 2.68 2.72 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 0.00 0.00 0.00 18 S 8.35 4.82 0.00 3.95 4.03 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 19 R 8.50 5.02 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 20 T 8.78 4.72 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 1.21 0.00 0.00 21 T 8.67 5.06 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 1.18 0.00 0.00 22 T 9.01 4.50 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 1.27 0.00 0.00 23 G 8.36 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 24 A 8.64 4.50 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 25 Y 7.53 4.53 0.00 3.07 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 26 I 7.48 4.04 1.58 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 1.24 0.53 0.81 0.00 0.00 27 A 8.35 4.07 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 28 N 8.20 4.90 0.00 2.67 2.59 0.00 0.00 6.94 7.77 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 29 R 8.62 4.44 0.00 1.91 1.95 0.00 3.00 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.01 4.52 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.11 4.03 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 1.23 0.00 0.00 32 D 8.61 4.75 0.00 2.69 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 33 K 8.58 4.45 0.00 1.78 1.97 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 8.25 5.12 0.00 1.87 1.83 0.96 0.91 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 35 T 8.79 4.61 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 1.19 0.00 0.00 36 R 7.93 3.26 0.00 0.67 1.15 0.00 3.03 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 37 V 8.01 4.13 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 0.88 0.00 0.00 1.07 0.00 0.00 38 H 7.50 4.68 0.00 3.00 3.20 0.00 5.94 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 39 D 8.50 4.65 0.00 2.73 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 40 K 8.12 5.05 0.00 1.86 1.99 0.00 1.80 0.00 0.00 2.04 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 41 I 8.25 5.15 1.98 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 1.38 0.71 1.03 0.00 0.00 42 W 9.79 5.49 0.00 3.16 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 43 C 9.45 5.30 0.00 2.77 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 44 C 9.09 5.31 0.00 2.82 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 45 R 8.64 5.02 0.00 1.73 1.87 0.00 3.16 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 46 S 8.99 4.56 0.00 3.86 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 47 G 8.73 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.24 4.15 0.00 3.81 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 49 A 8.88 3.97 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 50 A 8.00 3.96 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 51 D 8.10 4.33 0.00 2.87 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 52 T 8.29 3.98 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 1.29 0.00 0.00 53 Q 8.52 3.98 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 54 A 8.11 4.02 1.41 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 55 I 8.06 3.69 2.20 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 1.56 0.50 1.16 0.00 0.00 56 A 8.54 4.07 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 57 D 8.50 4.31 0.00 2.83 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 58 I 7.58 3.77 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.95 0.00 0.00 59 V 7.82 3.45 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.06 0.00 0.00 60 Q 8.26 3.88 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 61 Y 7.82 3.99 0.00 3.11 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 62 H 8.35 3.89 0.00 3.35 3.29 0.00 5.67 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 63 L 8.24 4.04 0.00 1.64 1.65 0.85 0.80 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 64 E 8.21 3.91 0.00 2.00 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 2.21 2.27 0.00 65 L 7.68 3.82 0.00 1.33 1.49 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.20 3.95 0.00 3.25 3.11 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 0.00 0.00 0.00 67 T 8.11 4.60 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 1.24 0.00 0.00 68 S 7.66 4.08 0.00 3.82 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 69 Q 7.09 3.92 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 70 Y 7.15 4.47 0.00 2.34 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 *72 G 7.47 4.12 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 0.00 73 T 8.57 4.23 4.32 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 1.30 0.00 0.00 74 P 0.00 4.49 0.00 1.72 1.28 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 75 S 7.99 4.50 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.90 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 1.27 0.00 0.00 77 E 8.17 4.03 0.00 2.00 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 2.36 2.39 0.00 78 T 7.70 3.76 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 0.83 0.00 0.00 79 A 7.84 3.96 1.42 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 80 A 8.16 4.12 1.42 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 81 S 8.06 4.03 0.00 3.90 4.04 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 0.00 0.00 0.00 82 V 7.88 3.59 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 0.84 0.00 0.00 0.87 0.00 0.00 83 F 8.03 4.07 0.00 3.40 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 84 K 8.69 3.99 0.00 1.80 2.10 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.59 3.97 0.00 2.33 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 2.32 2.44 0.00 86 L 7.98 4.04 0.00 1.97 1.75 0.88 0.83 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 87 C 8.37 4.23 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 88 Y 8.41 4.20 0.00 3.03 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 89 E 8.36 4.08 0.00 2.38 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 2.39 2.44 0.00 90 N 7.76 5.01 0.00 2.84 2.74 0.00 0.00 6.56 8.39 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 91 K 7.69 3.76 0.00 1.81 1.98 0.00 1.42 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.35 1.32 7.81 92 D 7.62 4.38 0.00 2.84 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 *94 N 7.84 5.12 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.77 5.10 0.00 1.58 1.53 0.96 0.86 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 96 T 8.90 4.71 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 97 A 8.27 5.06 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 98 G 9.14 4.12 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 0.00 99 I 8.36 5.00 1.64 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 1.31 0.92 0.18 0.00 0.00 100 I 8.31 4.35 1.84 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 1.09 0.71 0.90 0.00 0.00 101 V 8.38 4.75 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 0.92 0.00 0.00 0.63 0.00 0.00 102 A 9.10 4.85 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 0.00 103 G 8.65 4.57 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 0.00 104 Y 9.20 4.71 0.00 2.94 2.90 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 0.00 105 D 7.73 4.26 0.00 2.46 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.