NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7450 8.4201 117.7872 52.2063 40.0343 173.7081 0 A 4.7274 8.4230 127.0918 50.8192 19.9367 177.3426 2 K 4.6930 8.6526 111.1268 53.8343 34.0310 169.9968 3 A 5.0750 7.9971 126.2855 49.7605 22.9821 174.6981 4 D 5.3376 9.1798 121.7894 52.7381 43.4788 175.4680 5 I 4.9617 8.6877 124.9359 60.0512 39.1974 174.5868 6 L 4.9678 9.5171 128.0133 53.1293 43.9869 175.4665 7 L 4.8918 8.9445 125.1960 53.3234 43.5706 175.6997 8 V 4.7625 9.0557 125.0602 61.1444 34.0251 174.3879 9 S 5.4036 8.3092 120.2683 57.8668 65.7552 174.3436 10 H 4.6016 8.9904 120.5877 57.8023 29.8614 175.3056 11 S 4.7981 7.9653 113.7046 56.3641 62.9467 175.9374 12 K 4.0881 8.3998 133.3585 56.1686 31.3925 178.7500 *14 I 4.1186 8.0097 119.3580 61.3422 39.2883 178.5699 15 T 3.9443 7.6120 110.9134 64.7351 68.5846 176.3849 16 D 4.4802 8.2973 121.9530 57.0633 40.6038 179.0946 17 G 3.5271 7.9240 104.5556 47.8900 0.0000 175.1357 18 I 3.8648 7.7428 121.8707 64.0322 37.3962 178.1075 19 K 4.1466 8.1222 120.1973 59.2727 31.8588 179.0068 20 E 4.2069 7.9998 116.1926 57.1428 29.1025 178.2452 *22 I 4.0857 7.6531 119.4396 61.0188 38.9398 176.9448 23 E 4.1640 8.2916 117.6092 58.3530 29.4699 177.0125 24 Q 4.2659 7.7758 120.0163 56.9001 28.8235 176.0254 *26 N 4.2185 8.0551 116.2441 52.6866 38.9365 177.7545 *29 E 4.1610 8.3760 112.7862 56.8923 29.9449 176.1657 30 E 4.7093 8.5954 122.5788 54.9568 31.9530 176.0633 31 I 4.9457 7.5624 120.4503 59.1679 38.8640 175.1386 32 T 4.4096 8.4212 124.3008 62.5476 70.2835 173.8162 33 I 4.7726 8.1933 126.3515 60.0723 39.2331 174.6346 34 H 4.8757 9.1355 123.8128 54.0166 31.7290 172.9899 35 S 4.7174 8.8792 118.9153 57.0097 62.5754 173.2988 36 L 4.8443 8.4917 129.5829 54.3085 42.2206 177.7647 37 G 3.6378 8.0118 107.4548 46.3929 0.0000 175.2820 38 G 3.9333 8.5339 107.2168 44.9783 0.0000 173.1047 39 T 4.3656 8.4326 110.1654 60.0670 70.2352 175.8588 40 S 4.1611 8.6558 115.7992 61.4497 62.6926 174.8686 41 D 4.5515 8.0604 117.3551 53.0286 39.3788 177.0497 42 G 3.9205 8.5194 109.0638 45.5412 0.0000 174.0373 43 S 4.3101 8.0029 116.2988 57.5904 63.5507 173.1227 44 L 4.4602 8.3235 123.9058 54.4882 41.9003 176.6402 45 G 4.0921 6.9689 113.9446 44.6868 0.0000 170.7930 46 S 4.8509 7.5020 113.6237 56.7122 64.9433 173.8182 47 D 4.7717 8.2997 122.0169 52.2942 43.2907 175.5912 48 P 4.4983 0.0000 0.0000 62.2666 30.6890 178.3483 *50 K 4.2444 8.1250 119.2683 57.7931 34.5732 178.8826 51 I 3.7227 7.2290 116.7536 64.5481 36.9279 178.5807 52 I 3.6315 7.8083 120.5736 64.3290 36.8716 178.1684 53 D 4.3138 8.0235 119.1886 57.6922 40.4957 178.6900 54 T 3.7875 7.4242 114.2798 66.8058 68.7759 176.3029 55 I 3.3545 7.5019 121.3596 64.4209 36.8587 178.3867 56 N 4.3962 8.0877 115.9555 56.0116 38.3869 176.7618 57 E 4.1612 8.0524 118.2979 57.0010 30.0492 176.9754 58 A 4.5114 7.1284 121.9396 51.3801 20.1153 179.3283 59 D 4.7066 8.2845 122.1841 54.0569 41.0451 176.8763 *61 D 4.6206 8.6589 119.9613 54.0024 41.3040 176.2508 62 R 4.4491 7.4961 116.8387 54.8531 31.1389 176.2058 63 E 4.3234 9.0202 122.4222 55.4772 31.8384 175.3478 64 F 5.2691 9.3603 122.1802 55.9100 41.7401 174.4710 65 L 4.9230 9.2437 125.3692 53.1949 43.7072 175.6480 66 I 4.7633 8.1914 125.8473 59.4472 39.5816 174.8700 67 F 5.2411 9.2903 125.6341 55.6761 42.1706 174.3195 68 A 5.7554 8.8630 122.7965 50.5209 22.4501 174.7180 69 D 4.8545 8.7004 116.8321 53.7781 40.9778 176.3716 70 L 4.5847 7.9010 117.6867 54.8416 43.7145 175.2538 71 G 3.9858 8.3356 107.2542 46.5045 0.0000 177.0062 72 S 4.1297 8.7523 115.0660 60.7196 63.7867 176.4122 73 A 4.4787 7.7540 123.8015 54.5560 17.9686 179.7880 74 V 3.4807 7.5526 116.4449 66.0388 31.6287 177.7919 75 L 3.9440 7.9542 119.5579 58.4004 41.8961 178.6798 76 S 4.1448 8.8537 115.9725 62.0522 62.6256 176.7389 77 S 4.2988 7.7659 115.8617 62.0395 62.7585 176.6999 78 E 4.1843 8.0387 120.3207 59.5225 28.9538 179.3963 79 L 3.9952 8.3523 119.1187 57.6327 41.3792 179.2955 80 A 3.9847 7.8999 120.1461 55.1221 18.3152 179.0082 81 F 3.4836 7.4463 118.1886 60.9247 40.1540 176.0762 82 D 4.3936 7.4775 116.7699 53.8845 40.1345 176.4374 *84 L 3.9385 7.5378 117.2762 54.0307 43.3193 177.3746 85 E 3.9657 8.2131 121.6509 56.6536 29.5851 178.2975 86 E 3.8985 8.8260 120.5380 59.6772 29.0171 179.0973 87 D 4.5701 7.9597 118.4217 55.7907 40.0640 177.8174 88 Q 4.3446 8.2910 119.9560 58.3425 28.9966 177.8822 89 Q 3.8983 7.4326 119.6494 58.9549 28.4336 179.2289 90 K 4.1393 8.0609 117.8217 59.1694 32.5186 177.2605 91 H 4.8603 8.3644 114.0339 55.1520 29.0227 173.4479 92 Y 4.7984 7.8376 122.3162 56.6004 39.6035 174.9755 93 H 4.7685 8.9458 125.9553 53.5760 30.9233 173.3969 94 L 4.0546 8.3423 123.8692 54.6857 42.0401 176.8975 95 V 3.8475 7.7831 125.4331 61.3198 32.2355 175.5484 96 D 4.5159 8.6248 128.1266 53.4048 40.0720 174.4306 97 A 4.5466 7.8950 126.6867 49.7757 22.2982 174.1920 98 P 4.3234 0.0000 0.0000 62.7598 31.7449 176.5920 99 L 3.9560 8.7205 123.8996 58.9748 42.5562 179.3743 100 V 3.5690 7.7953 116.6357 66.2628 31.7336 177.9539 101 E 4.1370 8.1223 117.8390 58.9422 29.4240 179.3290 102 G 3.6937 8.2086 105.8977 47.3384 0.0000 175.8736 103 A 2.5800 7.3193 123.0550 54.3609 18.4763 179.2307 104 F 3.8291 7.9312 118.7420 61.5275 39.5480 177.0143 105 A 4.0302 8.1329 120.0949 55.6165 18.1686 179.8543 106 S 4.1597 8.2351 113.1552 61.1885 62.6605 176.7159 107 A 3.8815 7.7892 123.1906 55.8232 18.3990 178.9073 108 I 3.3766 7.2861 116.9132 65.4966 37.0224 178.3281 109 T 3.8072 8.1828 115.0935 66.9603 68.4619 176.5671 110 A 4.4450 7.3532 122.2805 53.7750 18.4218 178.8694 111 G 3.8286 7.9360 102.4019 45.2980 0.0000 174.2245 112 V 4.4074 7.8967 118.3554 62.0477 32.8638 175.0471 113 S 4.5693 7.6696 112.7993 58.0209 65.0481 173.6309 114 D 4.6420 8.5176 125.3715 53.2195 40.0872 176.2830 115 D 4.3623 7.9817 120.8724 54.1500 41.6194 176.1648 116 L 3.8287 8.3687 129.2404 58.5237 42.3764 178.2877 117 T 3.8273 8.0145 115.2836 66.9236 68.4053 175.7766 118 Q 3.9344 8.2253 120.3357 59.4162 29.1377 178.3795 119 I 3.7230 7.7346 120.6497 64.3259 37.0042 178.4236 120 L 3.9621 8.5551 119.9279 57.8773 41.2543 179.5551 121 A 4.0084 8.2967 119.8608 54.7251 18.3401 178.9160 122 E 4.0767 8.2158 117.7621 59.0360 29.8427 178.4322 123 A 4.0754 8.1144 120.8789 55.3999 18.2289 179.3797 124 Q 4.1719 7.6412 118.4209 58.7157 29.2144 177.5841 125 N 4.4660 7.7279 116.0199 54.3858 39.3445 175.0408 126 A 4.0596 7.0521 122.8390 53.6235 18.9701 177.8699 127 G 3.7653 8.8579 110.2902 45.8200 0.0000 174.5270 128 K 4.0647 7.6245 121.5710 54.1576 31.9981 181.8690 129 K 3.6858 8.3578 124.1896 55.4931 32.5612 176.8849 130 G 3.7399 7.9228 105.4428 46.6166 0.0000 173.3564 131 W 4.6928 8.1480 123.3748 56.5757 29.4173 176.4605 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 N 8.42 4.75 0.00 2.76 2.69 0.00 0.00 6.50 6.57 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 A 8.42 4.73 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 2 K 8.65 4.69 0.00 1.39 1.65 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 0.99 7.81 3 A 8.00 5.07 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 4 D 9.18 5.34 0.00 2.73 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 5 I 8.69 4.96 1.92 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 1.53 0.88 1.00 0.00 0.00 6 L 9.52 4.97 0.00 1.67 1.67 1.21 0.60 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 7 L 8.94 4.89 0.00 1.70 1.65 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.06 4.76 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 1.05 0.00 0.00 1.00 0.00 0.00 9 S 8.31 5.40 0.00 3.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.99 4.60 0.00 3.13 3.33 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.97 4.80 0.00 3.87 3.76 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 12 K 8.40 4.09 0.00 1.97 1.77 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.49 7.81 *14 I 8.01 4.12 2.05 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 1.48 0.58 0.92 0.00 0.00 15 T 7.61 3.94 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 1.34 0.00 0.00 16 D 8.30 4.48 0.00 2.90 2.77 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 0.00 0.00 0.00 0.00 17 G 7.92 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.86 2.00 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 1.39 0.72 0.90 0.00 0.00 19 K 8.12 4.15 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.44 1.44 7.81 20 E 8.00 4.21 0.00 2.33 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 2.32 2.36 0.00 *22 I 7.65 4.09 1.99 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 1.42 0.99 0.80 0.00 0.00 23 E 8.29 4.16 0.00 1.96 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 2.33 2.60 0.00 24 Q 7.78 4.27 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 *26 N 8.06 4.22 0.00 2.77 2.65 0.00 0.00 6.72 7.66 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 *29 E 8.38 4.16 0.00 2.01 1.87 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 2.13 1.91 0.00 30 E 8.60 4.71 0.00 1.77 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 2.17 2.27 0.00 31 I 7.56 4.95 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.95 0.00 0.00 32 T 8.42 4.41 4.54 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 1.11 0.00 0.00 33 I 8.19 4.77 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.90 0.00 0.00 34 H 9.14 4.88 0.00 3.11 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.88 4.72 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.49 4.84 0.00 1.78 1.66 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.01 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 39 T 8.43 4.37 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 1.23 0.00 0.00 40 S 8.66 4.16 0.00 4.00 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 41 D 8.06 4.55 0.00 2.81 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 42 G 8.52 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 43 S 8.00 4.31 0.00 3.93 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 44 L 8.32 4.46 0.00 1.58 1.57 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.97 4.09 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 0.00 46 S 7.50 4.85 0.00 3.91 3.77 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 0.00 0.00 0.00 0.00 47 D 8.30 4.77 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.50 0.00 2.25 2.41 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 *50 K 8.12 4.24 0.00 2.13 1.96 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 I 7.23 3.72 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.68 1.09 0.00 0.00 52 I 7.81 3.63 1.82 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 1.67 0.86 0.84 0.00 0.00 53 D 8.02 4.31 0.00 2.66 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 54 T 7.42 3.79 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 0.97 0.00 0.00 55 I 7.50 3.35 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.17 0.49 0.00 0.00 56 N 8.09 4.40 0.00 2.71 2.86 0.00 0.00 7.14 8.49 0.00 0.00 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 E 8.05 4.16 0.00 2.10 2.02 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 2.35 2.44 0.00 58 A 7.13 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.28 4.71 0.00 2.68 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 *61 D 8.66 4.62 0.00 2.77 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 62 R 7.50 4.45 0.00 1.32 1.41 0.00 3.18 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 63 E 9.02 4.32 0.00 1.75 1.87 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 2.24 2.41 0.00 64 F 9.36 5.27 0.00 2.95 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 65 L 9.24 4.92 0.00 1.70 1.60 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.19 4.76 1.61 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.22 0.88 0.00 0.00 67 F 9.29 5.24 0.00 2.92 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 68 A 8.86 5.76 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 69 D 8.70 4.85 0.00 2.80 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 70 L 7.90 4.58 0.00 1.81 1.75 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.34 3.99 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 0.00 0.00 0.00 72 S 8.75 4.13 0.00 4.07 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 73 A 7.75 4.48 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 74 V 7.55 3.48 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 0.99 0.00 0.00 0.96 0.00 0.00 75 L 7.95 3.94 0.00 1.81 1.68 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.85 4.14 0.00 4.07 3.96 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 77 S 7.77 4.30 0.00 4.12 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 78 E 8.04 4.18 0.00 2.21 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 2.33 2.52 0.00 79 L 8.35 4.00 0.00 1.82 1.72 0.93 0.93 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 80 A 7.90 3.98 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 81 F 7.45 3.48 0.00 2.62 3.12 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 82 D 7.48 4.39 0.00 2.75 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 *84 L 7.54 3.94 0.00 1.36 1.40 0.50 0.86 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 85 E 8.21 3.97 0.00 1.99 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 2.41 2.38 0.00 86 E 8.83 3.90 0.00 2.15 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 0.00 2.32 2.36 0.00 87 D 7.96 4.57 0.00 2.87 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 88 Q 8.29 4.34 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 89 Q 7.43 3.90 0.00 2.12 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.51 2.24 0.00 90 K 8.06 4.14 0.00 1.68 1.80 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.41 7.81 91 H 8.36 4.86 0.00 3.68 3.61 0.00 5.60 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 92 Y 7.84 4.80 0.00 3.11 3.31 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 93 H 8.95 4.77 0.00 3.02 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.34 4.05 0.00 1.45 1.56 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.78 3.85 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 0.59 0.00 0.00 0.43 0.00 0.00 96 D 8.62 4.52 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.55 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 98 P 0.00 4.32 0.00 2.42 2.20 0.00 3.95 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 2.09 2.07 0.00 99 L 8.72 3.96 0.00 1.97 1.74 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.80 3.57 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 0.93 0.00 0.00 0.91 0.00 0.00 101 E 8.12 4.14 0.00 2.07 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 2.29 2.32 0.00 102 G 8.21 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 0.00 0.00 0.00 103 A 7.32 2.58 0.91 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 0.00 104 F 7.93 3.83 0.00 3.16 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 0.00 105 A 8.13 4.03 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 0.00 106 S 8.24 4.16 0.00 4.08 4.10 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 0.00 107 A 7.79 3.88 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.29 3.38 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.83 0.00 0.00 109 T 8.18 3.81 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 1.25 0.00 0.00 110 A 7.35 4.44 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 0.00 111 G 7.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.90 4.41 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 0.78 0.00 0.00 0.90 0.00 0.00 113 S 7.67 4.57 0.00 3.83 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 0.00 114 D 8.52 4.64 0.00 2.78 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 0.00 115 D 7.98 4.36 0.00 2.74 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 0.00 116 L 8.37 3.83 0.00 1.72 1.58 0.69 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.01 3.83 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 1.20 0.00 0.00 118 Q 8.23 3.93 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 119 I 7.73 3.72 1.86 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 1.52 0.85 0.96 0.00 0.00 120 L 8.56 3.96 0.00 1.95 1.69 0.88 0.69 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 0.00 121 A 8.30 4.01 1.32 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 0.00 0.00 122 E 8.22 4.08 0.00 2.08 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 2.31 2.33 0.00 123 A 8.11 4.08 1.56 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 0.00 0.00 124 Q 7.64 4.17 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 125 N 7.73 4.47 0.00 2.87 2.95 0.00 0.00 7.20 7.78 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 0.00 126 A 7.05 4.06 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 0.00 127 G 8.86 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.62 4.06 0.00 1.79 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.03 7.81 129 K 8.36 3.69 0.00 0.79 0.74 0.00 0.95 0.00 0.00 1.31 0.00 0.00 2.57 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.87 0.21 7.81 130 G 7.92 3.74 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 0.00 0.00 0.00 131 W 8.15 4.69 0.00 3.32 2.95 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 * Residues marked with a * may have inaccurate shift predictions.