NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2959 0.0000 0.0000 62.3653 32.6888 178.3753 3 R 3.8563 7.7449 118.6574 56.2273 28.7921 174.1147 4 A 4.3647 8.0847 133.4412 51.8812 19.6925 176.6617 5 K 4.0038 7.8127 119.8487 56.9604 33.7846 176.6762 6 T 3.8023 8.3902 115.3931 66.0614 67.9103 177.2252 7 G 3.9314 7.8125 110.4294 44.8774 0.0000 173.3675 8 V 3.7725 8.7793 116.7300 65.8326 30.7465 178.6051 9 V 3.1809 6.6970 110.8388 63.4235 31.1440 177.9086 10 R 3.8745 8.0483 117.9141 59.9686 30.1878 178.4618 11 R 3.9546 7.5419 116.7613 60.0080 29.7797 178.5494 12 R 4.0142 7.7078 115.5636 58.7905 30.0581 178.6288 13 K 4.1910 8.7043 118.0905 58.1033 32.5005 178.0569 14 H 4.6026 7.9706 115.9178 57.4021 29.6978 177.1373 15 K 4.1734 7.9099 119.3984 59.3384 32.3667 178.2140 16 K 4.3548 7.9549 117.0186 57.0156 32.0248 176.5012 17 I 4.3452 8.2396 119.7349 63.3811 39.7820 177.8172 18 L 3.8567 8.0038 119.6583 58.0026 41.7455 179.7493 19 K 3.8545 7.4879 115.8566 59.5584 32.0592 178.4001 20 L 3.8753 7.6200 116.9487 57.2843 42.0520 178.2681 21 A 3.3728 7.1927 121.9717 50.0318 17.5374 175.8853 22 K 4.3259 7.2002 120.2745 55.0554 34.9214 177.6125 23 G 3.9915 8.8585 110.5521 45.4092 0.0000 173.0619 24 Y 4.7137 7.4289 117.1462 56.9218 38.6038 175.0060 25 W 4.2022 8.8616 133.9630 58.1380 32.4928 176.7274 26 G 4.1906 8.6520 112.4646 46.2133 0.0000 174.5020 27 L 4.5437 8.4704 124.3200 55.2752 41.8194 178.0429 28 R 4.4897 7.7579 117.9321 57.1948 30.1835 177.5703 29 S 5.1159 7.8705 109.4053 57.6064 64.0524 174.7040 30 K 4.4131 7.9065 118.3205 56.5302 34.9582 176.1052 31 S 4.4998 8.2976 117.0322 57.2969 63.0070 174.6502 *32 F 4.0292 9.0537 126.9688 60.1644 37.9561 173.6429 33 R 4.1935 7.9370 120.3719 57.2049 29.2794 178.9506 34 K 3.9820 8.5136 120.3835 60.3395 32.7299 177.5806 35 A 5.0121 8.3309 121.4281 55.0303 18.5529 179.0677 36 R 3.7135 8.0360 115.6868 59.9713 30.1125 178.2035 37 E 4.6428 8.9802 118.0574 60.3153 29.6234 179.7696 38 T 3.8957 8.8669 116.5823 66.5966 68.5116 176.5677 39 L 4.1216 7.9059 120.4866 57.1823 41.1600 179.3688 40 F 4.2395 7.6542 117.6685 60.5461 38.7668 176.4435 41 A 3.6403 7.8821 119.7113 55.2705 17.8372 179.1387 42 A 4.1504 8.0494 116.6072 55.3794 18.4312 180.1734 43 G 4.1265 7.9503 104.1806 47.8605 0.0000 175.4999 44 N 4.6099 7.9063 118.4902 55.7396 39.1834 176.9313 45 Y 4.7367 8.3206 118.3425 62.0406 38.0140 178.4344 46 A 4.1218 9.3176 122.8289 54.2403 18.4474 178.6540 47 Y 4.3558 7.9902 116.2026 61.3888 38.8703 178.3601 48 A 3.5484 9.1839 119.5688 56.1593 18.4040 178.9008 49 H 4.2230 8.2876 113.3424 58.0161 28.6554 178.5690 50 R 3.9688 8.2885 120.8955 59.1306 29.7935 178.2298 51 K 4.4805 7.6128 114.5804 56.7898 32.3363 178.0195 52 R 4.3356 7.3376 118.9658 57.5544 31.3355 177.8696 53 R 3.7850 9.5913 119.4099 58.9054 29.8213 177.9651 54 K 3.7828 7.9499 117.2918 59.9370 31.7254 179.0324 55 R 4.0416 7.7172 117.1144 58.5074 30.2159 178.6310 56 D 4.2910 7.7733 119.5326 56.9001 40.8237 178.1278 57 F 4.3408 7.3076 116.1797 59.1686 39.1614 178.1201 58 R 4.0422 7.2818 117.0449 59.4418 29.9485 178.0493 59 R 4.2438 7.5696 116.0108 58.1702 30.6174 178.8224 60 L 3.6412 7.4775 117.0121 57.8525 41.7255 180.0119 61 W 4.5402 7.9258 118.5881 59.9208 29.0280 178.6904 62 I 3.7896 8.8943 121.0428 64.1604 36.3820 178.6467 63 V 3.5441 7.6790 118.8004 66.2287 31.3886 177.8387 64 R 3.9771 7.9195 116.5880 58.8407 29.6883 178.9306 65 I 3.7614 8.4827 119.7108 64.6470 37.2051 177.8218 66 N 4.4501 8.2491 116.9300 56.7082 38.8234 176.7992 67 A 3.4644 7.6130 119.7453 54.4803 18.7365 178.7524 68 A 4.3985 7.9201 119.2711 54.6276 19.7265 179.1758 69 C 4.0344 7.5500 111.1871 60.6117 29.2501 176.0207 70 R 4.7952 8.7649 122.9301 59.0450 29.8052 177.5943 71 Q 4.3432 7.6884 114.2798 57.3859 28.8868 175.3882 72 H 4.7890 8.1192 114.5760 56.1476 29.5814 175.6417 73 G 3.9336 8.1974 107.3734 45.4209 0.0000 173.4447 74 L 4.9274 7.4025 118.8299 53.3253 43.7068 174.6480 75 N 5.1147 8.2642 114.5018 51.0970 41.6409 173.1822 76 Y 4.0833 9.0964 119.7270 61.3916 38.3695 178.6504 77 S 4.1542 8.1596 116.2381 62.1603 63.5580 176.9853 78 T 4.0900 8.6357 118.4344 66.5518 68.1507 176.4534 79 F 4.2086 8.3132 119.7951 59.7096 38.4486 175.7240 80 I 4.1270 7.4410 117.4291 62.4771 37.8678 176.3108 81 H 4.3879 8.6044 120.8313 58.7531 29.8538 176.9379 82 G 3.6874 7.7228 104.7119 47.8801 0.0000 174.7756 83 L 3.7731 7.4046 122.1701 56.9648 41.9775 179.5529 84 K 3.9995 7.0732 117.7856 59.4905 32.3043 178.3026 85 K 3.9145 8.4674 118.9302 58.6892 33.5437 177.7580 86 A 4.2756 8.2583 123.7265 54.3236 15.0605 178.0744 87 G 4.0178 6.8269 106.6470 45.7759 0.0000 173.7836 88 I 4.2726 7.3613 119.5546 58.6725 36.8410 174.7892 89 E 4.3718 8.2022 132.5606 56.9673 31.5570 177.8630 90 V 3.4054 8.8157 120.0060 64.4913 29.9031 179.4688 91 D 3.7238 8.9501 113.7875 56.3971 43.5947 171.1384 92 R 3.8071 7.4494 130.0278 56.0343 29.9404 177.0934 93 K 4.2992 8.6076 125.5131 59.4862 31.7687 176.9532 94 N 2.0000 7.6664 115.5733 56.2108 38.7433 176.1994 95 L 4.0491 6.7117 116.3996 54.9723 41.6741 177.5174 96 A 4.6551 8.8628 120.5484 52.5434 19.2272 178.7832 97 D 4.6630 7.6706 117.3980 55.3923 39.3910 177.1441 98 L 4.3902 7.5184 119.6278 56.4369 42.0930 178.1678 99 A 2.0000 6.9755 120.9471 54.7419 18.2356 178.8758 100 V 3.3567 7.3704 115.5334 67.7855 31.9405 180.2107 101 R 4.0526 9.3135 126.3214 58.6773 31.9897 178.8512 102 E 3.6892 7.9835 112.6844 57.5626 25.8715 174.8967 103 P 4.1558 0.0000 0.0000 66.1973 31.6589 178.6369 104 Q 4.1123 8.0310 117.1049 58.5776 28.8900 178.3354 105 V 3.7958 7.7046 118.8845 66.1987 31.6136 177.1178 106 F 4.3051 9.1807 121.4706 60.3725 39.3212 176.6783 107 A 4.0354 9.0457 120.8131 55.9948 18.1673 178.4453 108 E 3.8776 8.6936 118.1655 59.4082 29.5562 178.7979 109 L 3.8407 8.3223 119.3668 57.5374 41.6135 179.6448 110 V 3.6943 7.7528 118.0645 66.3895 31.5550 177.6527 111 E 4.1078 8.0984 117.6114 59.4512 29.2614 179.4312 112 R 4.0836 7.9807 115.9305 58.0871 30.3843 178.6252 113 A 3.8964 7.9062 122.1859 54.7379 18.4966 179.1242 114 K 4.1384 7.5951 112.1557 57.5016 32.2972 178.6798 115 A 3.9246 7.5158 122.7038 55.6217 18.4249 179.2331 116 A 3.9741 7.7580 118.3888 55.3708 19.1039 178.5951 117 Q 4.3538 7.2140 115.3906 54.0541 27.3615 176.4012 118 G 3.7134 7.4410 109.9001 45.8909 0.0000 170.8897 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 P 0.00 4.30 0.00 2.06 2.12 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 7.74 3.86 0.00 1.85 1.88 0.00 3.23 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 A 8.08 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.00 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.52 7.81 6 T 8.39 3.80 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 1.22 0.00 0.00 7 G 7.81 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 8 V 8.78 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 9 V 6.70 3.18 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 0.81 0.00 0.00 1.04 0.00 0.00 10 R 8.05 3.87 0.00 1.89 1.97 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 11 R 7.54 3.95 0.00 1.96 2.06 0.00 3.15 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 1.64 1.71 0.00 12 R 7.71 4.01 0.00 2.10 1.98 0.00 3.21 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 13 K 8.70 4.19 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.63 7.81 14 H 7.97 4.60 0.00 3.21 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.91 4.17 0.00 1.95 2.09 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.42 7.81 16 K 7.95 4.35 0.00 1.96 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 17 I 8.24 4.35 1.97 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 1.21 0.49 0.86 0.00 0.00 18 L 8.00 3.86 0.00 1.65 1.71 0.98 0.75 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 19 K 7.49 3.85 0.00 1.82 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 20 L 7.62 3.88 0.00 1.69 1.69 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.19 3.37 1.24 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 0.00 0.00 0.00 22 K 7.20 4.33 0.00 1.57 1.60 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.25 7.81 23 G 8.86 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 24 Y 7.43 4.71 0.00 2.94 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 25 W 8.86 4.20 0.00 3.53 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 26 G 8.65 4.19 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 0.00 27 L 8.47 4.54 0.00 1.82 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.76 4.49 0.00 1.96 2.06 0.00 3.05 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 29 S 7.87 5.12 0.00 4.03 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 30 K 7.91 4.41 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.35 7.81 31 S 8.30 4.50 0.00 3.89 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 0.00 *32 F 9.05 4.03 0.00 2.24 2.31 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 33 R 7.94 4.19 0.00 1.89 1.86 0.00 3.17 0.00 0.00 3.37 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 34 K 8.51 3.98 0.00 1.94 1.95 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.55 7.81 35 A 8.33 5.01 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 36 R 8.04 3.71 0.00 2.08 2.34 0.00 3.26 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 37 E 8.98 4.64 0.00 2.31 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 2.57 2.70 0.00 38 T 8.87 3.90 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 0.96 0.00 0.00 39 L 7.91 4.12 0.00 1.52 1.55 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.65 4.24 0.00 3.09 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 41 A 7.88 3.64 1.08 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 0.00 0.00 42 A 8.05 4.15 1.40 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 43 G 7.95 4.13 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 0.00 44 N 7.91 4.61 0.00 2.89 2.95 0.00 0.00 7.06 7.14 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 45 Y 8.32 4.74 0.00 2.97 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 A 9.32 4.12 1.39 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 0.00 0.00 0.00 47 Y 7.99 4.36 0.00 3.06 3.29 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 0.00 48 A 9.18 3.55 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 49 H 8.29 4.22 0.00 3.28 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.29 3.97 0.00 2.04 2.07 0.00 3.37 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 51 K 7.61 4.48 0.00 1.55 1.77 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 52 R 7.34 4.34 0.00 1.88 1.84 0.00 3.08 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 53 R 9.59 3.79 0.00 1.74 1.86 0.00 3.01 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.00 54 K 7.95 3.78 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.65 7.81 55 R 7.72 4.04 0.00 1.77 1.93 0.00 3.11 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 56 D 7.77 4.29 0.00 2.52 2.40 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 57 F 7.31 4.34 0.00 2.35 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 58 R 7.28 4.04 0.00 1.96 2.09 0.00 3.15 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 59 R 7.57 4.24 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.12 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 60 L 7.48 3.64 0.00 1.44 1.59 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.93 4.54 0.00 3.53 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 62 I 8.89 3.79 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.29 -0.05 0.00 0.00 63 V 7.68 3.54 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 1.04 0.00 0.00 0.93 0.00 0.00 64 R 7.92 3.98 0.00 2.18 1.89 0.00 3.52 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 65 I 8.48 3.76 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.24 1.37 0.00 0.00 66 N 8.25 4.45 0.00 2.94 2.86 0.00 0.00 7.10 8.75 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 67 A 7.61 3.46 1.40 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 68 A 7.92 4.40 1.48 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 69 C 7.55 4.03 0.00 2.48 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 0.00 0.00 0.00 70 R 8.76 4.80 0.00 1.89 2.01 0.00 3.15 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 71 Q 7.69 4.34 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 72 H 8.12 4.79 0.00 3.33 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.20 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 74 L 7.40 4.93 0.00 2.03 1.83 0.96 0.64 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 75 N 8.26 5.11 0.00 3.05 2.97 0.00 0.00 5.56 7.57 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 76 Y 9.10 4.08 0.00 3.34 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 77 S 8.16 4.15 0.00 3.96 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 78 T 8.64 4.09 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 1.25 0.00 0.00 79 F 8.31 4.21 0.00 3.03 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 80 I 7.44 4.13 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.83 0.00 0.00 81 H 8.60 4.39 0.00 3.26 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.72 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 83 L 7.40 3.77 0.00 1.38 1.60 0.19 0.57 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 84 K 7.07 4.00 0.00 2.06 1.85 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 8.47 3.91 0.00 1.51 1.82 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 86 A 8.26 4.28 1.24 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 0.00 0.00 0.00 87 G 6.83 4.02 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 0.00 0.00 0.00 88 I 7.36 4.27 1.82 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 1.39 0.66 0.89 0.00 0.00 89 E 8.20 4.37 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 2.29 2.29 0.00 90 V 8.82 3.41 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 0.88 0.00 0.00 0.90 0.00 0.00 91 D 8.95 3.72 0.00 2.73 2.83 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 92 R 7.45 3.81 0.00 2.25 1.86 0.00 3.16 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 93 K 8.61 4.30 0.00 2.05 2.29 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.73 1.87 7.81 94 N 7.67 2.00 0.00 2.55 2.40 0.00 0.00 7.22 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 95 L 6.71 4.05 0.00 1.86 1.60 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.86 4.66 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 97 D 7.67 4.66 0.00 2.75 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 98 L 7.52 4.39 0.00 1.76 1.85 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 99 A 6.98 2.00 0.28 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 0.00 100 V 7.37 3.36 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 0.84 0.00 0.00 0.79 0.00 0.00 101 R 9.31 4.05 0.00 1.83 1.80 0.00 3.18 0.00 0.00 3.20 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 102 E 7.98 3.69 0.00 2.11 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 2.28 0.00 103 P 0.00 4.16 0.00 2.30 2.33 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 104 Q 8.03 4.11 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 105 V 7.70 3.80 2.30 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 1.07 0.00 0.00 1.00 0.00 0.00 106 F 9.18 4.31 0.00 3.42 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 0.00 107 A 9.05 4.04 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 0.00 108 E 8.69 3.88 0.00 2.17 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 2.31 2.51 0.00 109 L 8.32 3.84 0.00 1.74 1.56 0.93 0.84 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 0.00 110 V 7.75 3.69 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 0.80 0.00 0.00 0.49 0.00 0.00 111 E 8.10 4.11 0.00 2.03 1.96 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 2.58 2.49 0.00 112 R 7.98 4.08 0.00 1.68 1.91 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 113 A 7.91 3.90 1.06 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 0.00 114 K 7.60 4.14 0.00 2.13 2.05 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.59 7.81 115 A 7.52 3.92 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 0.00 116 A 7.76 3.97 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 0.00 117 Q 7.21 4.35 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 118 G 7.44 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.