NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5686 8.1633 120.2723 55.1557 34.1826 173.9298 2 K 4.6923 8.8958 120.8989 53.6582 36.6339 173.6450 3 L 4.8549 9.1165 127.1524 53.4964 44.2268 174.9270 4 V 4.3458 8.8420 128.6034 62.1914 32.9841 174.1907 5 M 5.2603 9.3610 128.4166 53.7069 34.8952 174.1061 6 A 5.0565 9.2728 127.5626 50.1596 22.9380 174.5439 7 I 4.9329 8.6053 123.3644 59.6999 39.2126 175.0223 8 I 4.9305 8.5015 120.1474 58.2953 41.7229 175.1954 9 K 4.3885 8.3717 121.9117 55.8059 32.8094 176.6437 10 P 4.2987 0.0000 0.0000 65.6532 31.0839 178.5906 11 F 4.5184 8.2136 110.9981 58.5159 38.3733 176.4073 12 K 3.8706 7.3853 118.6049 56.3557 32.0386 177.9333 13 L 3.8871 7.5087 121.8904 58.3528 41.9032 178.5188 14 D 4.3476 8.0160 118.0492 57.5288 40.8614 178.5702 15 E 4.0913 8.0430 118.5023 59.3661 29.5236 179.4208 16 V 3.5491 7.8124 118.3056 65.8656 31.5113 178.0432 17 R 3.8475 8.2974 118.8136 59.4892 30.0823 178.1954 18 E 3.9207 8.4496 118.3961 59.5376 29.2518 179.3366 19 A 4.0189 7.8493 119.4796 55.1482 18.7612 179.4122 20 L 4.1049 8.0068 117.5861 58.0711 41.6866 179.7337 21 T 3.9063 8.1828 116.0147 66.7681 68.1257 176.7986 22 S 4.1733 7.7760 115.8040 61.4692 62.8981 176.3338 23 L 4.2391 7.5538 120.0312 55.6641 41.4275 177.8508 24 G 3.9150 7.7974 106.9749 45.3124 0.0000 173.7328 25 I 3.7421 7.7951 114.3224 61.8159 37.8282 176.1564 26 Q 4.4845 8.6090 119.6552 53.7531 28.4229 175.3373 27 G 4.1609 7.3157 108.0180 46.8868 0.0000 172.1013 28 L 4.6257 7.8076 118.8561 54.2931 45.1441 173.9935 29 T 4.7717 8.8767 122.0146 61.8535 72.0074 173.3746 30 V 5.1680 8.4449 118.1578 59.7202 35.4194 174.9195 31 S 4.7572 9.0710 119.6448 57.4154 67.0563 173.0895 32 E 4.7088 8.6789 118.9773 56.0474 30.6846 176.8792 33 V 4.6425 8.6016 116.8857 58.9464 36.8433 174.1196 34 K 5.1429 8.2092 119.3493 55.3609 36.1362 175.7476 35 G 4.3505 8.8672 108.1534 46.2129 0.0000 171.9321 36 F 5.3337 8.2448 113.9428 55.2063 41.0827 175.0170 37 G 4.4103 8.5984 108.7003 45.2424 0.0000 174.9473 38 R 4.1296 8.7448 117.3439 58.1408 30.0983 177.3310 39 Q 4.2727 8.1094 117.2005 55.2008 29.2572 175.8781 40 K 3.2109 9.0211 117.2325 57.3495 30.0358 176.9923 41 G 4.3257 8.4260 103.4931 46.2645 0.0000 174.0455 42 Q 4.0566 7.9991 122.5584 55.9704 29.1910 176.3340 43 T 4.6098 8.4786 113.1377 60.9754 70.1799 173.0200 44 E 4.7852 7.9559 120.8530 54.8634 32.5018 175.2460 45 I 4.3825 7.9940 111.2592 60.5177 38.3159 175.3837 46 Y 4.2811 7.7170 121.4644 57.5725 38.4154 176.1384 47 R 4.1249 8.5117 120.0115 57.9498 29.9792 178.3058 48 G 4.0312 9.0187 110.9726 44.1688 0.0000 174.8366 49 A 3.5533 7.6035 123.6751 54.7310 18.2973 179.4729 50 E 4.2217 7.9638 113.6105 58.3179 29.9204 177.6013 *51 Y 4.2644 7.5726 117.1683 57.1482 37.4700 181.2106 52 S 4.7075 7.4920 114.9213 58.1507 64.4794 173.7817 53 V 4.2770 7.8877 120.9231 61.1316 34.1129 174.8507 54 S 4.7812 8.4364 122.3145 56.6746 66.8147 172.9089 55 F 5.2612 8.8359 121.6381 56.6228 40.1011 175.1683 56 L 4.9715 8.9618 123.4299 52.0629 44.8614 174.2621 57 P 4.8517 0.0000 0.0000 62.9782 32.0896 175.7279 58 K 4.7891 9.2548 122.5139 54.9401 37.6018 174.9209 59 V 4.7886 8.5745 120.5707 61.1168 34.4456 173.9421 60 K 4.8860 8.9754 129.4283 55.0550 34.0021 174.8686 61 V 4.7944 8.9459 128.0372 61.2096 34.0462 174.0422 62 E 5.3334 9.4585 127.3749 54.4722 33.0061 175.1257 63 V 4.6966 8.9394 123.9929 59.7635 34.4046 174.3714 64 A 5.0893 8.7252 127.8699 50.9041 19.6922 176.4863 65 V 4.6597 8.8317 121.8392 60.0181 35.6506 174.8792 66 S 4.6937 8.6304 116.0048 57.8518 63.8551 174.9245 67 D 4.5372 8.7055 121.2683 57.5082 40.5868 177.4112 68 D 4.7591 8.0857 115.4165 53.6519 40.0816 176.4232 69 Q 4.5916 8.0455 118.6346 55.8787 31.1687 177.2578 70 Y 4.2212 8.1103 116.9441 60.0359 38.0159 177.9240 71 E 3.4032 7.1837 119.9009 59.0958 29.5214 179.1298 72 Q 3.9694 7.7990 117.6649 58.6127 28.8145 178.7203 73 V 3.5502 7.5998 119.2505 65.8902 31.6255 178.1944 74 V 3.5856 7.9869 118.2145 66.2054 31.3385 177.8778 75 E 4.0959 8.2553 118.0067 59.2886 29.2689 179.2341 76 A 3.9697 8.1798 120.9643 55.1192 18.4266 179.8167 77 I 3.6328 7.7938 118.3274 64.4692 37.2044 178.4196 78 Q 4.0254 8.1994 121.3579 59.8462 28.4048 180.1923 79 K 4.0202 7.9846 122.7290 59.6350 31.7742 180.5915 80 A 4.2873 7.9786 120.6364 54.7230 18.4362 178.9943 81 A 4.3163 7.8829 117.7148 52.5550 19.2563 177.0719 82 N 4.4008 7.8630 116.8125 53.9436 38.8274 174.4904 83 T 4.4399 9.3233 115.4032 61.0571 69.3906 174.6962 84 G 3.9062 8.7427 109.3933 46.2650 0.0000 173.6903 85 R 4.7267 7.8270 117.5658 53.2463 33.0985 175.4849 86 I 3.7078 8.1357 114.5305 62.6331 37.8576 176.5153 87 G 4.0063 8.8511 110.7934 45.5461 0.0000 174.0617 88 D 4.3129 7.5739 119.5521 55.6357 40.9129 175.6717 89 G 4.1512 7.1139 103.6327 43.0197 0.0000 172.2981 90 K 4.4990 8.3193 119.5644 54.6260 35.9662 174.7667 91 I 4.7086 7.8644 125.7514 59.3689 40.1547 174.7887 92 F 5.0524 9.3333 125.0756 55.6357 42.3957 174.0675 93 V 4.8029 8.6527 123.0522 61.2497 33.1396 174.6437 94 L 4.8767 8.9175 127.4581 53.0058 45.3214 175.1510 95 D 5.0790 8.4920 120.1288 53.5899 42.4109 176.0073 96 I 4.3531 8.0910 123.1127 59.7105 38.1165 175.9326 97 A 4.1519 8.7963 130.6850 54.9988 18.7265 177.1416 98 Q 4.9666 7.5470 110.9372 54.8078 33.1934 174.2786 99 A 4.8122 9.1574 122.1937 50.5126 23.2197 175.4287 100 V 4.7783 8.0978 119.0524 61.3129 34.9018 174.3726 101 R 4.1811 8.9926 129.3154 55.6725 29.2216 177.0038 102 I 3.6810 8.6346 128.1370 64.5430 37.4249 178.5303 103 R 4.1445 8.0437 119.0431 58.3931 30.1161 176.7561 104 T 4.3616 7.2496 103.4485 60.3313 70.4554 175.3643 105 G 3.9257 8.4279 109.3650 45.4104 0.0000 173.6842 106 E 4.1301 7.9533 120.1708 56.4570 30.1347 176.1967 107 T 5.1452 7.9232 111.0136 60.5704 73.1984 176.5660 108 N 4.0583 8.7272 121.7153 54.5598 38.2141 178.6591 109 T 3.9140 8.6172 119.1180 65.4377 68.7734 176.0502 110 E 3.6669 7.8865 121.1988 58.6862 29.5395 177.6511 111 A 4.3156 7.9552 120.3255 52.9962 19.3756 177.1722 112 L 4.1863 7.2755 120.3023 54.9749 41.6116 176.8419 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 8.16 4.57 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 2 K 8.90 4.69 0.00 1.56 1.46 0.00 1.20 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.30 0.88 7.81 3 L 9.12 4.85 0.00 1.68 1.53 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.84 4.35 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 0.98 0.00 0.00 1.04 0.00 0.00 5 M 9.36 5.26 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 6 A 9.27 5.06 1.14 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 0.00 0.00 7 I 8.61 4.93 1.87 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 1.35 1.52 0.94 0.00 0.00 8 I 8.50 4.93 1.76 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 1.32 0.89 0.84 0.00 0.00 9 K 8.37 4.39 0.00 1.66 1.87 0.00 1.78 0.00 0.00 2.06 0.00 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.60 1.61 7.81 10 P 0.00 4.30 0.00 2.23 2.15 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 11 F 8.21 4.52 0.00 3.17 3.19 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 0.00 12 K 7.39 3.87 0.00 1.58 1.58 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.30 1.11 7.81 13 L 7.51 3.89 0.00 1.73 1.65 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.35 0.00 2.82 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 15 E 8.04 4.09 0.00 1.94 1.97 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 2.41 2.37 0.00 16 V 7.81 3.55 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 0.96 0.00 0.00 0.88 0.00 0.00 17 R 8.30 3.85 0.00 1.96 2.05 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 18 E 8.45 3.92 0.00 2.21 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 2.33 2.54 0.00 19 A 7.85 4.02 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 20 L 8.01 4.10 0.00 1.85 1.72 0.91 0.77 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 21 T 8.18 3.91 4.39 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 1.21 0.00 0.00 22 S 7.78 4.17 0.00 4.04 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 23 L 7.55 4.24 0.00 1.81 1.72 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.80 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 25 I 7.80 3.74 1.88 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 1.38 0.64 0.97 0.00 0.00 26 Q 8.61 4.48 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 27 G 7.32 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 28 L 7.81 4.63 0.00 1.60 1.49 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.88 4.77 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 30 V 8.44 5.17 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 0.74 0.00 0.00 0.93 0.00 0.00 31 S 9.07 4.76 0.00 3.83 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 32 E 8.68 4.71 0.00 1.77 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 33 V 8.60 4.64 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 0.68 0.00 0.00 0.95 0.00 0.00 34 K 8.21 5.14 0.00 1.51 1.80 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 35 G 8.87 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 36 F 8.24 5.33 0.00 2.93 3.07 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 0.00 0.00 0.00 0.00 37 G 8.60 4.41 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 0.00 38 R 8.74 4.13 0.00 1.96 2.12 0.00 3.05 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 Q 8.11 4.27 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.44 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 40 K 9.02 3.21 0.00 1.76 1.48 0.00 1.32 0.00 0.00 1.33 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.35 7.81 41 G 8.43 4.33 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 0.00 0.00 0.00 42 Q 8.00 4.06 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 43 T 8.48 4.61 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 1.23 0.00 0.00 44 E 7.96 4.79 0.00 1.97 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 0.00 2.30 2.32 0.00 45 I 7.99 4.38 1.83 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 1.48 0.68 0.87 0.00 0.00 46 Y 7.72 4.28 0.00 3.18 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 47 R 8.51 4.12 0.00 1.85 1.78 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 48 G 9.02 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 0.00 0.00 0.00 49 A 7.60 3.55 0.40 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 50 E 7.96 4.22 0.00 2.02 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 0.00 2.22 2.16 0.00 *51 Y 7.57 4.26 0.00 2.37 2.23 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 0.00 52 S 7.49 4.71 0.00 3.97 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 53 V 7.89 4.28 1.76 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 -0.26 0.00 0.00 0.61 0.00 0.00 54 S 8.44 4.78 0.00 3.92 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 55 F 8.84 5.26 0.00 3.02 3.02 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 0.00 56 L 8.96 4.97 0.00 1.66 1.61 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.85 0.00 1.99 2.03 0.00 3.69 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 2.08 2.17 0.00 58 K 9.25 4.79 0.00 1.63 1.78 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.56 7.81 59 V 8.57 4.79 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 0.93 0.00 0.00 0.94 0.00 0.00 60 K 8.98 4.89 0.00 1.88 1.66 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.40 7.81 61 V 8.95 4.79 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 0.87 0.00 0.00 0.91 0.00 0.00 62 E 9.46 5.33 0.00 1.87 1.80 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 2.23 2.23 0.00 63 V 8.94 4.70 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 0.97 0.00 0.00 1.01 0.00 0.00 64 A 8.73 5.09 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 65 V 8.83 4.66 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 0.76 0.00 0.00 0.95 0.00 0.00 66 S 8.63 4.69 0.00 4.05 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 67 D 8.71 4.54 0.00 2.74 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 68 D 8.09 4.76 0.00 2.79 2.79 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 69 Q 8.05 4.59 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 70 Y 8.11 4.22 0.00 3.23 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 71 E 7.18 3.40 0.00 1.68 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 1.70 1.47 0.00 72 Q 7.80 3.97 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.45 1.98 0.00 73 V 7.60 3.55 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 1.02 0.00 0.00 0.99 0.00 0.00 74 V 7.99 3.59 2.18 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 1.04 0.00 0.00 1.12 0.00 0.00 75 E 8.26 4.10 0.00 2.26 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 2.33 2.20 0.00 76 A 8.18 3.97 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 77 I 7.79 3.63 1.97 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 1.50 0.83 0.86 0.00 0.00 78 Q 8.20 4.03 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 79 K 7.98 4.02 0.00 1.86 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 80 A 7.98 4.29 1.33 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 0.00 0.00 81 A 7.88 4.32 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 82 N 7.86 4.40 0.00 2.79 2.75 0.00 0.00 6.99 7.07 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 83 T 9.32 4.44 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 1.34 0.00 0.00 84 G 8.74 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 85 R 7.83 4.73 0.00 2.04 1.83 0.00 3.20 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 86 I 8.14 3.71 1.89 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 1.36 0.55 0.92 0.00 0.00 87 G 8.85 4.01 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 0.00 0.00 0.00 88 D 7.57 4.31 0.00 2.69 2.73 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 89 G 7.11 4.15 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 0.00 0.00 0.00 90 K 8.32 4.50 0.00 1.65 1.25 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.49 1.17 7.81 91 I 7.86 4.71 1.75 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 1.24 0.66 0.93 0.00 0.00 92 F 9.33 5.05 0.00 2.90 2.81 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 93 V 8.65 4.80 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 0.60 0.00 0.00 1.06 0.00 0.00 94 L 8.92 4.88 0.00 1.61 1.49 1.02 0.75 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 95 D 8.49 5.08 0.00 2.51 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 96 I 8.09 4.35 1.85 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 1.14 0.53 0.94 0.00 0.00 97 A 8.80 4.15 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 98 Q 7.55 4.97 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 99 A 9.16 4.81 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.10 4.78 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 0.79 0.00 0.00 0.93 0.00 0.00 101 R 8.99 4.18 0.00 1.93 1.79 0.00 3.35 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 8.63 3.68 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 1.30 0.68 0.91 0.00 0.00 103 R 8.04 4.14 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.25 4.36 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 0.00 105 G 8.43 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 0.00 106 E 7.95 4.13 0.00 2.08 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 2.45 2.25 0.00 107 T 7.92 5.15 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 1.28 0.00 0.00 108 N 8.73 4.06 0.00 2.85 1.94 0.00 0.00 7.03 7.09 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 0.00 109 T 8.62 3.91 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 0.00 110 E 7.89 3.67 0.00 2.11 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 2.35 2.26 0.00 111 A 7.96 4.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.28 4.19 0.00 1.57 1.60 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.