NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4304 8.3049 120.3500 55.2274 33.4298 174.4848 2 K 4.5681 8.4402 124.2328 52.8366 35.0555 174.1045 3 S 4.8652 9.0714 116.5756 56.9178 67.2390 172.6533 4 R 5.8226 8.8718 120.0321 54.2114 34.4948 174.0956 5 I 4.7849 8.4067 113.9679 59.3873 40.7272 174.2854 6 I 5.3313 8.6456 123.5638 59.7968 40.6031 175.1819 7 V 4.6100 8.7382 118.4871 59.6223 35.3897 174.7944 8 R 5.2688 8.6117 122.4467 55.0170 33.2739 174.6100 9 T 4.7825 9.0112 116.3341 61.4358 71.6743 171.7935 10 S 5.1484 8.4938 117.3733 56.9947 65.7827 172.4335 11 F 5.0625 8.3397 117.8104 56.0194 41.6079 172.3882 12 D 5.6015 9.4335 119.5078 53.0122 43.3633 175.4415 13 A 5.1732 9.2397 122.4576 51.0742 23.4762 174.7782 14 A 5.1312 8.5049 120.5919 50.6885 23.0390 175.1069 15 H 4.8724 8.5353 109.1797 55.3681 29.7105 172.0714 *26 V 3.9620 7.9524 117.0264 62.5364 33.0846 174.3750 27 H 4.6865 9.0684 121.1993 56.8410 33.4382 173.8822 28 G 3.8817 9.4651 105.9543 46.2790 0.0000 171.8990 29 H 4.8483 9.4802 120.3358 54.7655 34.3288 172.2782 30 T 4.6163 8.1932 116.4001 62.3269 70.2876 173.8060 31 F 4.8768 8.9180 125.9549 55.7469 41.4160 174.8070 32 F 5.1274 9.2604 122.1285 55.7009 41.4174 174.0464 33 L 5.3959 9.3644 126.7671 53.2632 44.6866 174.5487 34 E 5.1979 9.4088 126.5038 54.4324 32.9535 174.2936 35 V 4.9806 9.0254 126.4009 61.0675 34.6669 173.6823 36 A 5.2955 9.4186 130.0293 50.2923 21.6158 174.9662 37 I 4.8149 8.6722 123.4975 59.4387 40.1678 174.2695 38 E 5.1062 9.2261 128.1410 54.8669 32.0065 175.1137 39 G 4.4766 8.2114 111.6432 46.1853 0.0000 171.8144 40 E 4.4484 8.3872 120.0737 54.8059 30.6486 175.4308 41 I 3.9023 8.1691 126.9971 60.6224 37.7796 175.6934 42 K 4.2662 8.3934 124.8114 56.3494 34.6307 176.3526 43 N 4.1469 9.0859 120.4557 53.8858 35.2741 175.4237 44 G 4.0479 9.9056 106.5200 45.3686 0.0000 173.1685 45 Y 4.7737 6.9164 114.9487 56.0526 41.0529 175.7703 46 V 3.8690 8.3223 119.7218 64.5846 32.1877 175.8635 47 M 4.5855 7.3783 114.3547 53.3753 34.8163 173.8549 48 D 4.0898 8.0678 124.8236 52.7311 41.2499 176.9964 49 F 4.3246 8.4629 123.0133 60.9479 38.9100 177.5952 50 L 4.0034 7.9928 119.0160 58.1580 42.0406 178.4336 51 E 3.9022 8.3809 119.2770 59.0795 29.4885 178.6090 52 L 3.9188 7.7865 119.9213 58.2362 42.2227 178.7491 53 R 3.9087 8.4693 119.1250 59.4420 29.9368 178.3037 54 K 3.9704 8.4213 119.6312 59.4791 32.3396 178.8990 55 I 3.6528 7.6055 119.8758 64.3086 36.9713 178.6344 56 V 3.6725 7.9723 119.1351 66.2238 31.4313 178.0336 57 E 4.5931 8.6048 119.8269 58.5883 29.0325 178.8423 58 E 3.9606 8.0454 118.7932 58.6089 29.7492 178.4151 59 I 4.0330 7.1991 119.0743 64.0976 37.6216 178.2466 60 T 3.6734 8.2505 111.1138 64.2512 68.2332 176.6099 61 K 3.9796 8.2392 121.7780 59.7682 32.1893 178.8657 62 E 4.0957 7.8690 119.0933 58.4738 29.6348 178.1244 63 L 4.3619 7.6087 118.3157 54.3922 42.2241 176.0256 64 D 4.7613 6.7346 118.9128 56.1616 41.2239 175.5239 65 H 4.1600 9.7773 123.4949 56.6866 26.8354 174.7090 66 R 4.5163 7.8400 118.3331 54.3780 32.6366 174.9924 67 N 5.1206 8.2693 117.7753 52.0268 38.6600 175.3919 68 L 4.0608 8.9932 128.1737 57.7431 41.9207 179.6661 69 N 4.7396 8.6707 115.2790 55.3703 38.4925 175.4787 70 N 4.6712 8.1619 114.4760 53.4490 39.2259 175.3451 71 I 4.1080 7.4891 116.5543 60.4071 40.1964 175.0617 72 F 4.7720 8.2110 118.2439 55.1529 41.3639 175.1764 73 E 4.0798 9.0510 125.6962 58.8568 29.6443 176.7618 74 N 4.8926 7.7795 117.5274 50.7622 39.5398 172.9229 75 P 4.2627 0.0000 0.0000 61.8490 30.6402 177.9107 76 T 4.1777 7.3673 109.2128 62.5042 71.3953 174.6704 77 T 3.9634 8.4704 118.6797 66.8735 68.4817 176.6738 78 E 3.9379 8.0858 119.9407 59.6573 29.5954 179.0728 79 N 4.4391 8.1551 116.3848 56.1541 38.4574 177.7188 80 I 3.2871 7.6699 121.1248 64.1209 37.1005 178.1907 81 A 4.1506 8.1824 121.6944 55.1811 18.2079 179.6360 82 L 4.1300 8.1591 117.3728 57.7794 41.7777 179.4544 83 W 4.2734 8.5654 128.2062 60.6432 30.7170 177.8857 84 I 3.5804 8.6726 120.1755 64.4214 36.5748 178.4189 85 G 3.7520 8.5070 106.7533 48.1671 0.0000 175.4753 86 E 3.8357 8.2040 120.8771 59.0419 29.2092 179.6699 87 R 3.6487 7.2686 117.2847 59.0126 30.1988 178.9553 88 I 3.7288 7.6161 119.6204 64.3314 36.8730 178.2392 89 R 3.6739 7.8546 119.6626 59.4682 29.5881 177.3049 90 D 4.3590 7.6910 114.6576 55.2065 41.4194 176.2711 91 K 4.4754 7.7344 115.8363 56.4342 34.1421 176.5979 92 L 4.0950 7.0591 118.9747 53.7641 42.0026 175.1282 93 P 4.4515 0.0000 0.0000 61.6880 32.0854 175.1537 94 P 4.2316 0.0000 0.0000 65.8231 31.1462 177.1436 95 Y 4.9319 7.2336 113.7955 58.0242 38.2845 175.1635 96 V 4.7180 7.4561 117.1167 61.2946 35.1957 173.5424 97 K 4.5963 8.7419 124.0159 54.2795 36.0128 175.0093 98 L 4.2287 8.3991 128.6276 55.2054 41.9474 175.8557 99 K 4.5212 9.1628 128.9680 58.4655 34.0272 176.2194 100 R 5.4496 7.7844 117.5734 55.3278 33.9010 173.8804 101 V 5.0321 9.1563 124.5211 61.2591 35.0942 174.0848 102 V 4.7386 9.1325 128.0250 60.9772 34.3121 173.7024 103 L 5.1491 8.7974 130.7065 53.2406 44.5044 174.7910 104 W 5.0104 9.4945 127.6016 55.5079 31.0617 175.5417 105 E 3.8808 9.3336 127.8529 55.0845 28.2056 175.9982 106 G 3.9380 8.6948 112.8900 44.1015 0.0000 170.9794 107 K 3.7655 8.2841 116.2246 57.8126 32.2884 177.7478 108 D 4.8093 8.0138 116.2419 54.2790 42.0201 175.8274 109 N 5.2679 8.1141 116.5862 51.6717 42.8982 173.5894 110 G 3.8157 8.3534 108.2727 45.1819 0.0000 171.8445 111 V 4.3499 8.3592 119.7909 60.6747 34.2740 173.6394 112 E 4.9087 8.6487 128.4286 54.3389 31.6098 174.5568 113 L 4.4605 8.9459 127.2932 52.6882 44.4778 175.0633 114 E 4.9213 8.1265 123.8650 54.0680 32.5098 175.2702 115 W 4.4620 9.1416 125.7327 56.8123 29.0384 175.9505 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 M 8.30 4.43 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 K 8.44 4.57 0.00 1.86 1.91 0.00 1.77 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.51 7.81 3 S 9.07 4.87 0.00 3.85 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 4 R 8.87 5.82 0.00 1.72 1.97 0.00 3.27 0.00 0.00 4.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 5 I 8.41 4.78 1.98 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 1.37 1.04 0.78 0.00 0.00 6 I 8.65 5.33 1.96 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 1.44 0.79 1.01 0.00 0.00 7 V 8.74 4.61 2.15 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 0.89 0.00 0.00 1.02 0.00 0.00 8 R 8.61 5.27 0.00 1.70 1.90 0.00 3.24 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 9 T 9.01 4.78 4.34 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 1.38 0.00 0.00 10 S 8.49 5.15 0.00 3.71 3.58 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 0.00 0.00 0.00 0.00 11 F 8.34 5.06 0.00 3.34 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 12 D 9.43 5.60 0.00 2.79 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 13 A 9.24 5.17 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 14 A 8.50 5.13 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 15 H 8.54 4.87 0.00 3.22 3.45 0.00 5.51 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 V 7.95 3.96 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 0.86 0.00 0.00 0.95 0.00 0.00 27 H 9.07 4.69 0.00 3.02 3.17 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.47 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 0.00 0.00 0.00 29 H 9.48 4.85 0.00 2.44 2.73 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.19 4.62 4.08 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 0.49 0.00 0.00 31 F 8.92 4.88 0.00 1.51 2.28 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 32 F 9.26 5.13 0.00 3.18 3.04 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 33 L 9.36 5.40 0.00 1.97 1.84 1.16 0.84 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 34 E 9.41 5.20 0.00 2.25 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 2.34 0.00 35 V 9.03 4.98 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 0.96 0.00 0.00 1.03 0.00 0.00 36 A 9.42 5.30 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 37 I 8.67 4.81 1.91 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 1.16 1.21 0.98 0.00 0.00 38 E 9.23 5.11 0.00 2.03 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 0.00 2.24 2.47 0.00 39 G 8.21 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 0.00 0.00 0.00 0.00 40 E 8.39 4.45 0.00 2.00 1.74 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 2.27 2.33 0.00 41 I 8.17 3.90 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.91 0.00 0.00 42 K 8.39 4.27 0.00 1.71 1.73 0.00 1.25 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.13 7.81 43 N 9.09 4.15 0.00 2.62 2.73 0.00 0.00 7.43 7.65 0.00 0.00 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 G 9.91 4.05 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 0.00 0.00 0.00 45 Y 6.92 4.77 0.00 3.06 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 46 V 8.32 3.87 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 0.95 0.00 0.00 0.94 0.00 0.00 47 M 7.38 4.59 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 48 D 8.07 4.09 0.00 2.66 2.34 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 49 F 8.46 4.32 0.00 3.09 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 50 L 7.99 4.00 0.00 1.71 1.84 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.38 3.90 0.00 2.36 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 0.00 2.30 2.31 0.00 52 L 7.79 3.92 0.00 1.83 1.91 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.47 3.91 0.00 2.00 2.15 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 54 K 8.42 3.97 0.00 1.95 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 55 I 7.61 3.65 2.03 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 1.37 0.83 0.86 0.00 0.00 56 V 7.97 3.67 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 1.20 0.00 0.00 0.97 0.00 0.00 57 E 8.60 4.59 0.00 2.04 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 2.49 0.00 58 E 8.05 3.96 0.00 2.22 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 2.30 2.38 0.00 59 I 7.20 4.03 2.01 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 1.39 0.88 0.74 0.00 0.00 60 T 8.25 3.67 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 1.31 0.00 0.00 61 K 8.24 3.98 0.00 1.99 2.21 0.00 1.30 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.48 7.81 62 E 7.87 4.10 0.00 2.20 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 0.00 2.38 2.39 0.00 63 L 7.61 4.36 0.00 0.96 1.40 0.71 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 D 6.73 4.76 0.00 2.85 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 65 H 9.78 4.16 0.00 3.31 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.84 4.52 0.00 1.90 1.79 0.00 3.25 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 67 N 8.27 5.12 0.00 2.73 2.73 0.00 0.00 6.86 6.66 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 68 L 8.99 4.06 0.00 1.84 1.82 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.67 4.74 0.00 2.98 2.91 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.16 4.67 0.00 2.80 2.82 0.00 0.00 6.70 8.19 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 71 I 7.49 4.11 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.32 0.83 0.00 0.00 72 F 8.21 4.77 0.00 3.08 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 73 E 9.05 4.08 0.00 1.96 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 2.32 0.00 74 N 7.78 4.89 0.00 2.67 2.69 0.00 0.00 6.98 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 75 P 0.00 4.26 0.00 2.26 2.33 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 76 T 7.37 4.18 4.36 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 1.23 0.00 0.00 77 T 8.47 3.96 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 1.30 0.00 0.00 78 E 8.09 3.94 0.00 2.03 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 2.36 2.42 0.00 79 N 8.16 4.44 0.00 2.80 2.82 0.00 0.00 7.10 7.16 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 80 I 7.67 3.29 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.12 0.84 0.00 0.00 81 A 8.18 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.13 0.00 2.06 1.91 0.99 0.74 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 83 W 8.57 4.27 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.67 3.58 2.19 0.00 0.00 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 1.76 1.30 0.99 0.00 0.00 85 G 8.51 3.75 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 0.00 0.00 0.00 86 E 8.20 3.84 0.00 2.01 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 2.56 2.52 0.00 87 R 7.27 3.65 0.00 1.39 1.56 0.00 2.97 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 88 I 7.62 3.73 1.87 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 1.34 0.71 0.83 0.00 0.00 89 R 7.85 3.67 0.00 1.79 1.87 0.00 2.50 0.00 0.00 2.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 90 D 7.69 4.36 0.00 2.72 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 91 K 7.73 4.48 0.00 1.65 1.71 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.42 7.81 92 L 7.06 4.09 0.00 1.49 1.54 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.45 0.00 2.00 1.94 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 94 P 0.00 4.23 0.00 1.18 1.78 0.00 3.36 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 1.73 1.91 0.00 95 Y 7.23 4.93 0.00 3.02 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 96 V 7.46 4.72 2.10 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 0.76 0.00 0.00 1.01 0.00 0.00 97 K 8.74 4.60 0.00 1.80 1.56 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.33 7.81 98 L 8.40 4.23 0.00 1.40 1.09 0.85 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.16 4.52 0.00 2.00 2.01 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 100 R 7.78 5.45 0.00 2.02 1.82 0.00 3.21 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 101 V 9.16 5.03 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 1.00 0.00 0.00 1.17 0.00 0.00 102 V 9.13 4.74 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 0.61 0.00 0.00 0.98 0.00 0.00 103 L 8.80 5.15 0.00 1.86 1.52 1.17 1.10 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 0.00 104 W 9.49 5.01 0.00 3.51 3.42 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 0.00 105 E 9.33 3.88 0.00 1.86 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 1.80 1.54 0.00 106 G 8.69 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 0.00 107 K 8.28 3.77 0.00 1.59 1.54 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.74 1.29 7.81 108 D 8.01 4.81 0.00 2.67 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 0.00 109 N 8.11 5.27 0.00 2.63 2.67 0.00 0.00 6.79 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 0.00 110 G 8.35 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 0.00 111 V 8.36 4.35 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 0.94 0.00 0.00 0.86 0.00 0.00 112 E 8.65 4.91 0.00 1.82 1.66 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 2.09 2.24 0.00 113 L 8.95 4.46 0.00 1.21 0.50 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.13 4.92 0.00 1.84 1.65 0.00 0.00 0.00 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 2.50 0.00 115 W 9.14 4.46 0.00 3.51 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 * Residues marked with a * may have inaccurate shift predictions.