NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2728 8.3027 118.7752 55.6298 31.0521 176.2238 3 L 3.5317 8.3621 120.6905 57.4914 42.2554 176.3299 4 K 3.9590 8.9784 118.2272 59.7659 33.3659 177.3483 5 D 4.3909 7.9680 117.8109 57.4142 41.1727 179.2848 6 I 3.0308 7.1612 116.5874 62.1821 36.8362 177.2668 *8 H 4.7569 8.2834 122.4508 56.3794 31.4237 175.3427 9 I 3.5600 7.6678 118.9564 64.3549 37.1385 177.7366 10 L 4.0831 7.8737 120.2983 58.1941 41.9442 178.0640 11 E 4.1556 8.2102 117.3297 59.2517 30.5061 178.4493 12 D 4.5953 7.7641 118.7281 54.1735 38.4845 176.7333 *14 K 4.4278 7.7715 120.1110 56.1263 35.5086 177.9293 15 V 4.9718 7.7514 117.4609 61.3367 34.7311 174.3189 16 G 4.2150 9.2606 113.1208 44.5314 0.0000 171.0048 17 V 4.5978 8.6178 120.6425 61.2914 32.8286 174.9630 18 F 4.7910 9.3867 127.0010 55.6199 41.4104 174.2830 19 A 5.2982 9.1816 126.4852 50.5075 21.2218 175.6884 20 T 5.1702 9.0170 112.1992 60.0026 73.1539 172.4368 21 L 5.3614 8.4681 120.6421 53.1511 44.6871 177.0524 22 D 4.7744 8.6165 122.7412 52.0476 41.6174 176.5474 23 E 3.9740 8.3962 115.6292 58.6641 29.7423 176.7801 24 Y 4.5367 7.9785 116.2242 57.6614 38.3255 176.5495 25 G 4.0052 8.2970 108.5165 45.3215 0.0000 173.9054 26 N 4.5150 8.1280 117.9395 52.4505 39.2573 172.3894 27 P 5.1152 0.0000 0.0000 62.8990 32.8457 175.0697 28 H 5.0862 9.1840 117.6577 54.3538 33.4382 172.3037 29 A 5.1787 8.4404 122.3236 50.6729 22.1700 175.5459 30 R 4.5964 8.4971 117.4076 54.8173 33.4350 174.1716 31 H 5.0297 8.7082 117.5325 56.1195 29.6210 174.7482 32 A 4.8531 9.2813 123.2741 50.2428 23.0430 174.8922 33 H 4.7270 8.9969 120.5395 56.4954 30.8083 175.2097 34 I 4.5074 8.6018 127.9480 60.8849 36.4473 175.8605 35 T 4.3573 9.2326 119.6739 64.7071 69.9081 174.2628 36 A 5.0403 8.1999 120.4905 51.2862 22.8064 175.2655 37 A 5.3480 9.4242 121.1799 51.4023 22.7229 175.9017 38 N 4.8058 9.2960 119.5905 52.1833 40.0106 174.7398 39 E 3.9904 8.8006 116.6445 59.5525 29.5129 178.0860 40 E 4.2396 8.9501 117.2374 57.1323 30.2808 176.7445 41 G 3.7914 6.9196 105.3324 44.0612 0.0000 171.0724 42 I 5.0203 7.7412 120.7318 59.6068 39.8835 175.0470 43 F 5.4991 9.6608 126.2931 56.1057 41.8366 174.8502 44 F 5.2259 8.3922 117.0620 56.7334 41.4053 172.7718 *46 T 4.3989 8.4099 112.9117 62.6133 68.0119 173.3241 47 S 4.7538 8.1263 116.9590 55.3960 64.1365 171.5300 48 P 2.9700 0.0000 0.0000 63.9586 31.4820 176.2564 49 E 3.8114 8.3195 113.7250 57.0884 27.2402 175.8611 50 T 4.6884 7.1155 109.2513 61.1335 72.5245 174.8895 51 H 4.3121 8.4718 118.9483 58.8725 28.7183 177.6486 52 F 4.3929 8.4101 122.1524 61.6505 38.9274 176.4638 53 Y 3.7660 7.7488 117.2208 60.7912 38.7604 176.9913 54 D 4.6493 8.4362 118.7629 57.7176 41.2974 178.8541 55 Q 4.2205 8.7299 118.3752 58.8473 28.5575 180.5443 56 L 4.6866 7.0994 118.9556 54.3626 41.6654 178.6018 *58 G 3.9081 8.1071 109.6538 45.3867 0.0000 173.6670 59 D 4.4818 8.0670 119.3975 53.2804 44.0871 175.6014 60 Q 4.3828 8.7956 125.9038 58.0052 29.9709 176.3798 61 R 4.6836 8.2162 119.8783 56.1685 30.5866 176.6684 62 V 4.8274 9.2850 122.8666 60.2463 35.6188 174.2904 63 A 5.2313 8.4950 123.7947 49.4668 22.8910 174.7347 *65 T 4.5336 8.2609 111.4412 63.7995 70.1852 173.5410 66 A 5.0159 8.9542 125.8002 50.5251 23.1891 174.7552 67 I 4.9989 8.1543 118.4642 59.6938 41.5235 173.9561 68 S 4.6274 9.3379 123.4729 56.2648 65.2636 173.9908 69 E 4.8703 8.8329 128.5979 56.6927 29.9260 176.3858 70 E 4.1110 8.1073 115.8212 56.6485 30.8721 181.8712 71 G 3.8943 8.4892 111.5010 45.8631 0.0000 173.5380 72 Y 4.5931 8.6855 120.3426 56.7618 38.7896 175.4974 73 L 4.3244 7.1397 120.0945 53.4716 43.7044 175.7239 74 I 4.6046 7.9858 121.5254 59.8808 39.6822 174.4624 75 Q 4.9837 9.1727 126.8512 53.8771 32.2561 174.9122 76 V 4.8697 8.9849 123.6621 61.0023 34.7570 174.1990 77 V 5.1034 8.9263 127.3075 61.2080 34.5897 174.1900 78 R 4.9868 9.2926 126.2938 54.3872 33.3946 174.7527 79 V 4.8228 8.3123 122.2092 61.0513 35.5699 173.6780 80 E 4.6710 8.5490 126.2294 54.6778 32.5201 174.2963 81 G 4.1516 8.6495 113.1936 46.5294 0.0000 171.9538 82 T 5.3154 8.4171 112.4465 59.7752 71.8843 173.5048 83 A 5.9400 9.5153 126.6006 49.5783 21.7886 175.7411 84 R 4.9119 8.5104 115.7747 53.5164 33.3755 172.7757 85 P 3.8169 0.0000 0.0000 62.7111 32.1577 175.8479 86 V 4.4563 8.0623 114.2962 59.8244 35.5598 175.2283 87 E 4.5954 8.5338 122.7245 54.6804 31.7933 176.7952 88 N 4.5259 8.7725 116.7272 56.7455 38.1361 177.0358 89 D 4.4528 8.1914 119.0290 57.8701 41.3428 178.2970 90 Y 4.2620 7.9845 118.8557 60.5964 39.0785 177.0429 91 L 3.9917 8.1166 119.9437 58.0059 41.7880 179.6618 92 K 4.4686 8.8701 120.2519 59.1411 31.7240 179.3637 93 T 3.8852 7.5073 108.7175 63.9534 68.7645 176.6408 94 V 3.4007 7.0062 119.9652 65.0560 32.2577 176.9370 95 F 4.3286 8.4208 116.3684 57.1157 39.9940 176.7720 96 A 3.5712 8.3251 123.7930 54.5237 17.3915 178.3836 97 D 4.6811 8.7577 115.6882 54.8371 40.3334 173.9029 98 N 4.4799 8.1652 118.8675 54.2901 38.9426 173.8995 99 P 4.2920 0.0000 0.0000 65.6107 31.6185 177.3332 *100 Y 3.8533 7.8328 118.0477 59.5027 38.6749 175.7960 101 Y 4.4928 7.8753 115.4374 57.6597 39.2939 177.3478 102 Q 4.0410 7.9999 121.5248 58.8670 29.0388 178.2349 103 H 4.1900 7.9946 112.5665 58.1740 28.5530 176.4738 104 I 3.4840 6.6839 119.2301 63.2789 37.9385 175.3660 105 Y 4.6640 7.1103 118.6761 56.3918 37.9270 175.5907 106 K 4.1005 8.8942 124.7213 56.4035 33.8202 176.4295 *112 T 4.0612 8.5221 110.5568 61.6355 69.3541 174.8039 *114 Q 3.9894 8.8456 115.9029 55.2402 31.0162 173.6460 115 V 4.2756 7.9883 124.7674 62.5296 33.3473 174.5099 116 F 5.0583 8.9619 124.6917 55.5636 43.5702 173.6349 117 Q 4.6325 8.8198 121.1503 54.3992 32.4198 174.2701 118 I 4.7803 9.2623 128.4643 61.3373 36.9364 175.7862 119 Y 4.6494 8.7825 126.0191 57.5943 39.6677 175.2122 120 A 4.6840 6.6852 121.0783 50.0126 22.9487 176.2932 121 G 4.3636 7.1664 106.1451 46.8610 0.0000 170.6646 122 H 5.3534 8.0778 114.0880 54.0380 32.4365 172.6941 123 G 3.8473 8.5934 106.4200 44.5523 0.0000 170.9203 124 F 5.5059 9.2161 121.7116 56.4555 42.7644 172.5723 125 Y 5.1248 9.3019 127.5615 56.0506 41.5636 173.7450 126 H 4.6360 8.6461 125.7936 54.4066 33.5225 172.0675 127 S 4.7312 8.2720 122.2173 56.7720 61.6786 174.5335 128 L 3.7923 8.6491 129.3388 57.7252 41.6051 180.2228 129 T 4.0115 7.7778 107.0721 63.6313 68.9986 174.8585 130 Q 4.3208 7.7711 118.8784 54.6538 29.5511 175.4685 131 G 3.9325 7.5296 105.0157 46.9429 0.0000 173.1102 132 H 5.0105 8.0287 116.0848 53.5742 31.4659 174.0671 133 K 4.9229 8.3538 121.8771 54.6822 35.8106 174.6977 134 Y 5.3384 9.1808 122.0029 56.1635 42.1002 174.4987 135 I 5.2078 9.0147 117.1966 59.6079 40.7831 174.3370 136 F 5.5607 8.7889 118.4066 56.1134 41.6692 172.7547 137 S 5.2895 8.8365 113.7926 56.6825 65.8650 173.2724 138 I 4.4792 8.5918 121.0304 60.2629 40.3634 176.6132 139 G 4.0128 8.6612 111.9636 47.2667 0.0000 173.7043 *145 E 4.2223 7.7434 121.1589 55.5811 30.0266 173.4200 146 V 5.1026 8.0567 121.9137 60.4957 35.1894 174.0649 147 R 4.7603 9.5969 126.7891 54.4680 33.3528 173.6604 148 A 4.2321 8.7769 128.5523 51.3851 19.3426 177.0509 149 L 4.1986 8.2314 122.2552 54.9827 41.4362 177.0727 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 2 E 8.30 4.27 0.00 2.12 2.14 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 2.26 2.28 0.00 3 L 8.36 3.53 0.00 1.63 1.68 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.98 3.96 0.00 1.97 1.83 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.06 7.81 5 D 7.97 4.39 0.00 2.71 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 6 I 7.16 3.03 1.38 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.37 0.26 0.00 0.00 *8 H 8.28 4.76 0.00 3.32 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.67 3.56 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.86 0.00 0.00 10 L 7.87 4.08 0.00 1.61 1.69 0.96 0.94 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 11 E 8.21 4.16 0.00 2.11 2.22 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 2.42 2.58 0.00 12 D 7.76 4.60 0.00 2.78 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 *14 K 7.77 4.43 0.00 1.86 1.94 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.02 7.81 15 V 7.75 4.97 2.14 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 0.87 0.00 0.00 1.01 0.00 0.00 16 G 9.26 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 0.00 0.00 0.00 0.00 17 V 8.62 4.60 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 0.65 0.00 0.00 0.65 0.00 0.00 18 F 9.39 4.79 0.00 2.63 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 19 A 9.18 5.30 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 20 T 9.02 5.17 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 1.44 0.00 0.00 21 L 8.47 5.36 0.00 1.54 1.62 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.62 4.77 0.00 2.92 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 23 E 8.40 3.97 0.00 1.87 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 1.47 1.76 0.00 24 Y 7.98 4.54 0.00 3.21 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 25 G 8.30 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 26 N 8.13 4.51 0.00 3.23 2.72 0.00 0.00 6.83 8.03 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 27 P 0.00 5.12 0.00 2.03 2.02 0.00 3.66 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 1.91 1.96 0.00 28 H 9.18 5.09 0.00 3.18 3.16 0.00 5.59 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 29 A 8.44 5.18 1.11 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 0.00 0.00 30 R 8.50 4.60 0.00 1.75 1.84 0.00 2.56 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.00 31 H 8.71 5.03 0.00 3.05 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 9.28 4.85 1.11 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 0.00 0.00 33 H 9.00 4.73 0.00 3.24 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.60 4.51 1.94 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 1.58 0.89 1.10 0.00 0.00 35 T 9.23 4.36 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 1.36 0.00 0.00 36 A 8.20 5.04 1.23 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 0.00 0.00 37 A 9.42 5.35 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 38 N 9.30 4.81 0.00 2.88 2.94 0.00 0.00 6.58 8.41 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 39 E 8.80 3.99 0.00 1.97 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 2.29 2.32 0.00 40 E 8.95 4.24 0.00 2.30 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 2.36 2.34 0.00 41 G 6.92 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 42 I 7.74 5.02 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 1.26 0.00 0.00 43 F 9.66 5.50 0.00 3.12 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 44 F 8.39 5.23 0.00 3.00 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 *46 T 8.41 4.40 4.37 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 0.97 0.00 0.00 47 S 8.13 4.75 0.00 3.89 3.69 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 0.00 0.00 0.00 0.00 48 P 0.00 2.97 0.00 1.78 1.46 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 49 E 8.32 3.81 0.00 2.15 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 2.13 1.85 0.00 50 T 7.12 4.69 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 1.25 0.00 0.00 51 H 8.47 4.31 0.00 3.24 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.41 4.39 0.00 2.96 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 53 Y 7.75 3.77 0.00 3.13 3.17 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 0.00 54 D 8.44 4.65 0.00 2.93 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 55 Q 8.73 4.22 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 56 L 7.10 4.69 0.00 1.19 1.35 -0.63 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *58 G 8.11 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 59 D 8.07 4.48 0.00 2.66 2.50 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 60 Q 8.80 4.38 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 61 R 8.22 4.68 0.00 1.84 1.89 0.00 3.12 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 62 V 9.29 4.83 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 1.03 0.00 0.00 1.18 0.00 0.00 63 A 8.49 5.23 1.19 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 0.00 0.00 *65 T 8.26 4.53 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 1.23 0.00 0.00 66 A 8.95 5.02 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 67 I 8.15 5.00 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 1.23 0.96 0.92 0.00 0.00 68 S 9.34 4.63 0.00 3.87 3.65 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 0.00 0.00 0.00 69 E 8.83 4.87 0.00 1.98 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 2.21 2.27 0.00 70 E 8.11 4.11 0.00 2.01 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 2.26 2.13 0.00 71 G 8.49 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 0.00 0.00 0.00 72 Y 8.69 4.59 0.00 3.11 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 73 L 7.14 4.32 0.00 1.42 1.45 0.76 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.99 4.60 1.81 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 1.32 0.95 0.88 0.00 0.00 75 Q 9.17 4.98 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 76 V 8.98 4.87 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 0.90 0.00 0.00 0.93 0.00 0.00 77 V 8.93 5.10 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 1.25 0.00 0.00 1.12 0.00 0.00 78 R 9.29 4.99 0.00 1.93 1.79 0.00 3.15 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 79 V 8.31 4.82 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 1.05 0.00 0.00 1.07 0.00 0.00 80 E 8.55 4.67 0.00 1.58 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 81 G 8.65 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 82 T 8.42 5.32 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 1.17 0.00 0.00 83 A 9.52 5.94 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 84 R 8.51 4.91 0.00 1.64 1.82 0.00 2.44 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 85 P 0.00 3.82 0.00 1.64 1.15 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 86 V 8.06 4.46 2.29 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 0.62 0.00 0.00 1.14 0.00 0.00 87 E 8.53 4.60 0.00 2.01 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 2.28 2.23 0.00 88 N 8.77 4.53 0.00 2.74 2.82 0.00 0.00 6.77 8.08 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 89 D 8.19 4.45 0.00 2.66 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 90 Y 7.98 4.26 0.00 3.09 3.18 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 91 L 8.12 3.99 0.00 2.09 1.96 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.87 4.47 0.00 1.70 1.79 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.91 1.36 7.81 93 T 7.51 3.89 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 1.18 0.00 0.00 94 V 7.01 3.40 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 -0.38 0.00 0.00 0.43 0.00 0.00 95 F 8.42 4.33 0.00 2.99 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 96 A 8.33 3.57 1.22 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 0.00 0.00 97 D 8.76 4.68 0.00 2.71 2.57 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 98 N 8.17 4.48 0.00 2.91 3.12 0.00 0.00 7.17 7.00 0.00 0.00 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 P 0.00 4.29 0.00 2.06 2.10 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *100 Y 7.83 3.85 0.00 2.32 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 0.00 0.00 0.00 101 Y 7.88 4.49 0.00 2.91 2.16 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 0.00 102 Q 8.00 4.04 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.88 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 103 H 7.99 4.19 0.00 3.17 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 6.68 3.48 1.18 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.56 -0.11 0.00 0.00 105 Y 7.11 4.66 0.00 3.03 2.78 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 0.00 0.00 0.00 106 K 8.89 4.10 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 *112 T 8.52 4.06 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 *114 Q 8.85 3.99 0.00 2.15 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 115 V 7.99 4.28 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 1.18 0.00 0.00 0.93 0.00 0.00 116 F 8.96 5.06 0.00 1.51 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 0.00 117 Q 8.82 4.63 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 1.99 1.16 0.00 118 I 9.26 4.78 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.98 0.00 0.00 119 Y 8.78 4.65 0.00 3.01 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 0.00 120 A 6.69 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.17 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 0.00 0.00 0.00 0.00 122 H 8.08 5.35 0.00 3.06 3.28 0.00 5.23 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 0.00 123 G 8.59 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.22 5.51 0.00 2.99 2.85 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 0.00 0.00 0.00 0.00 125 Y 9.30 5.12 0.00 3.08 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 0.00 126 H 8.65 4.64 0.00 2.26 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.27 4.73 0.00 3.87 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 0.00 128 L 8.65 3.79 0.00 1.68 1.61 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.78 4.01 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 1.20 0.00 0.00 130 Q 7.77 4.32 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 131 G 7.53 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 0.00 132 H 8.03 5.01 0.00 3.20 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.35 4.92 0.00 1.60 1.71 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.28 7.81 134 Y 9.18 5.34 0.00 3.11 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 0.00 135 I 9.01 5.21 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 1.11 0.00 0.00 136 F 8.79 5.56 0.00 3.21 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 0.00 137 S 8.84 5.29 0.00 3.93 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 0.00 138 I 8.59 4.48 1.92 0.00 0.00 1.00 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 1.03 1.02 0.00 0.00 139 G 8.66 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 *145 E 7.74 4.22 0.00 2.24 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 2.27 1.89 0.00 146 V 8.06 5.10 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 1.03 0.00 0.00 1.00 0.00 0.00 147 R 9.60 4.76 0.00 1.90 1.79 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 148 A 8.78 4.23 1.07 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 0.00 0.00 149 L 8.23 4.20 0.00 1.52 1.58 1.03 0.75 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 * Residues marked with a * may have inaccurate shift predictions.