NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4042 0.0000 0.0000 62.6562 32.1403 175.4223 3 S 4.6378 8.5736 119.4467 55.8866 65.4381 172.2890 4 K 4.6909 9.1778 123.9788 54.4366 36.5995 175.2714 5 K 4.5860 8.5651 120.7879 54.5157 34.1129 175.5457 6 N 5.2330 8.2468 120.2829 51.3893 41.0886 174.6903 7 G 3.9311 7.6811 111.0903 46.0744 0.0000 174.4561 8 R 4.6889 8.5490 118.5970 55.6496 29.9796 175.5523 9 S 4.4071 8.3643 114.3218 60.1766 65.3331 174.5318 10 G 3.8877 9.1663 113.6316 45.8638 0.0000 174.5434 11 P 4.4459 0.0000 0.0000 62.5666 32.3408 175.9836 12 Q 4.7874 8.3363 119.7399 52.9392 32.1464 173.4015 13 P 4.9354 0.0000 0.0000 63.8757 32.6386 174.8489 14 H 5.0804 9.4924 117.8579 54.2747 34.1133 173.5599 15 K 4.9759 8.6858 115.1326 57.0407 33.8539 175.7986 16 R 5.3724 7.9296 118.6892 55.1040 33.8774 174.5973 17 W 5.5162 9.5826 122.8999 55.6213 34.2032 174.6076 18 V 5.2394 9.7038 117.7757 59.8344 34.5932 174.6750 19 F 5.8172 8.3574 116.4075 55.7142 41.8152 173.9510 20 T 5.5564 9.3773 111.0893 60.5528 72.3250 172.3243 21 L 5.0890 8.4466 126.6818 53.2706 45.9689 174.2575 22 N 4.7804 9.0404 124.5832 53.6974 39.7889 174.2517 23 N 4.2517 8.7031 123.5799 53.9964 37.5350 171.9808 24 P 4.4410 0.0000 0.0000 62.6947 32.9129 177.7450 25 S 4.6639 8.2998 116.6926 57.4747 65.7948 175.3889 26 E 4.0226 8.6258 122.9786 59.5962 29.1566 179.6993 27 D 4.2723 7.9482 118.5979 57.2421 41.0934 178.1403 28 E 3.8988 8.0463 119.2094 59.4889 29.8007 178.8213 29 R 3.9311 8.3259 118.5111 59.1602 30.0583 179.0410 30 K 3.9145 8.0223 119.4194 59.0067 31.9341 178.8655 31 K 3.8565 7.7616 119.1423 59.6972 32.6345 178.6192 32 I 3.6823 7.6125 120.0485 64.2647 36.7653 178.4232 33 R 3.6996 7.8785 118.2646 58.1738 29.9206 176.8885 34 D 4.6593 7.4699 115.8232 53.0430 41.5256 176.0296 35 L 4.1069 6.6994 117.8966 53.9168 42.3261 175.0287 36 P 4.3994 0.0000 0.0000 62.5728 31.8247 177.4912 37 I 4.0270 8.5121 117.8792 63.8166 37.9023 178.4337 38 S 4.2112 7.9727 115.9414 60.8144 62.9911 175.1841 39 L 3.7540 7.5431 122.5785 56.5102 42.1122 176.1400 40 F 4.9858 7.4883 116.4624 54.1741 41.1370 175.1589 41 D 4.5616 8.9366 126.5165 57.2602 41.7327 176.2074 42 Y 5.3243 7.9432 118.8034 55.8499 42.5228 173.9344 43 F 4.8017 9.0501 128.0012 56.4049 42.8922 173.2368 44 I 4.9712 8.7771 126.6184 59.3791 41.0550 173.8491 45 V 4.7621 8.9102 129.5481 61.0358 34.7930 174.4510 46 G 4.4545 8.7501 113.1810 44.4310 0.0000 170.6643 47 E 4.8556 8.8877 124.6805 54.2619 31.5533 174.8385 48 E 4.4086 8.8674 127.8891 54.6200 31.6780 175.9626 49 G 4.6672 8.1387 115.9410 45.1623 0.0000 171.3653 50 N 4.9349 7.9350 116.7614 53.4139 40.1645 173.9279 51 E 4.5508 7.9307 115.7799 53.6765 32.3734 175.1000 52 E 3.9809 8.6696 125.3944 57.3440 30.3080 176.7868 53 G 4.0002 9.0596 113.7219 44.9423 0.0000 173.1228 54 R 4.6376 7.1043 118.7379 54.3349 32.4471 175.4007 55 T 4.3098 8.1044 112.4455 60.1303 70.1315 172.4473 56 P 4.7508 0.0000 0.0000 63.2566 33.2844 174.3006 57 H 5.2494 8.9000 119.1287 54.4850 33.8093 171.4860 58 L 4.8002 8.6988 127.6304 53.9569 44.1257 175.3278 59 Q 4.4133 8.6653 127.1934 55.4039 32.4552 173.3073 60 G 4.2870 7.6965 112.6750 45.1022 0.0000 170.3234 61 F 5.5412 9.5628 121.1979 56.2233 43.2773 173.3976 62 A 4.1062 8.3139 126.0058 49.8064 22.1533 174.3165 63 N 4.8655 8.6111 122.5689 52.2225 40.1832 174.3060 64 F 4.3124 9.1552 126.6966 57.4289 39.4680 177.0117 65 V 3.8734 8.3882 124.7625 65.1593 32.0275 174.9489 66 K 4.8847 7.6665 118.1973 54.8449 35.8830 175.1920 67 K 4.6619 8.5800 119.3084 56.0548 32.8247 176.7731 68 Q 4.5077 8.8211 123.1413 54.2195 33.5638 174.9426 69 T 4.6118 7.8910 111.7117 60.6096 71.2287 175.6266 70 F 2.9611 8.8665 122.8547 61.1982 39.5575 175.9927 71 N 3.8711 8.0137 116.0550 56.2351 38.7706 176.5417 72 K 3.6209 7.7212 120.9023 59.4972 32.3570 178.9083 73 V 3.8298 7.6237 118.5737 65.8705 31.2342 177.6849 74 K 4.1001 7.3772 117.8189 57.9532 31.5415 178.7388 75 W 4.2557 8.8015 117.1336 58.4735 28.0771 176.5725 76 Y 4.4577 7.9190 115.3116 59.5786 39.2619 177.0993 77 L 3.9627 8.1700 116.5360 55.0540 42.1363 176.2613 78 G 4.0165 8.0002 111.0828 44.4991 0.0000 174.7937 79 A 4.0449 8.4353 122.6937 54.5957 18.9473 179.3778 80 R 4.0850 8.2181 114.3470 59.4923 30.2564 176.6601 81 C 4.6809 7.3288 114.6685 58.6591 29.5316 173.4566 82 H 4.6400 9.0779 124.6003 56.1416 30.4333 173.9759 83 I 5.3350 8.5232 118.9447 59.5910 40.3464 174.0529 84 E 5.0581 9.2685 123.5297 54.8461 33.8874 173.9214 85 K 3.9354 8.5181 122.3117 55.9910 32.5981 177.0058 86 A 4.4186 8.2021 126.4387 50.8683 20.3348 176.5795 87 K 4.2392 8.2126 117.1889 56.0372 35.5091 174.7486 88 G 3.5879 8.4405 106.4140 44.2989 0.0000 173.4977 89 T 4.3536 8.1963 110.6587 60.3138 71.4447 174.9625 90 D 4.5887 8.4551 121.7119 56.3825 39.0181 178.7906 91 Q 4.0236 8.0104 118.7803 58.6023 28.7750 178.4303 92 Q 4.0765 7.7636 118.9603 58.9585 28.7160 178.6296 93 N 4.2992 8.3250 117.4552 56.0655 38.6352 177.4774 94 K 4.3004 8.4724 122.7104 59.2485 32.3633 178.7573 95 E 4.0563 8.7518 119.3046 59.3221 29.1452 178.5072 96 Y 4.0195 7.8874 118.8750 61.1488 39.2928 177.9331 97 C 4.3225 8.3708 117.5389 62.6614 28.2801 175.5600 98 S 4.3771 7.9437 113.3927 59.7494 61.8571 175.6098 99 K 4.1192 7.6658 121.4799 59.6982 31.7745 177.8654 100 E 4.0718 7.7655 117.2304 57.2684 29.1812 178.5965 101 G 3.8187 8.6400 106.8520 45.0335 0.0000 172.6893 102 N 4.9464 7.6642 118.3265 51.7475 42.1234 172.7546 103 L 4.7756 8.6317 126.0508 53.5568 42.6824 176.0868 104 L 4.4317 8.6477 125.7042 56.6101 43.6476 176.2727 105 M 4.5673 7.4992 116.4184 54.3062 35.7683 173.1824 106 E 4.8376 8.6848 125.8943 55.1777 32.3383 173.6658 107 C 4.6115 9.1389 124.0834 59.6547 33.8008 174.6119 108 G 4.3158 8.8771 109.1451 45.2443 0.0000 172.3197 109 A 4.7985 8.6536 121.5311 49.3512 21.2783 176.3437 110 P 3.8262 0.0000 0.0000 62.2882 28.8705 174.5832 111 R 4.0079 7.3997 124.9202 56.8086 30.6697 176.2194 112 S 4.8593 8.3645 116.9703 56.1941 65.8766 173.2996 113 Q 4.4130 8.3604 121.8833 55.3541 29.9267 175.1384 114 G 4.2186 7.9699 109.6964 44.3880 0.0000 170.5272 115 Q 4.4468 9.0814 127.5146 56.8243 35.8721 173.9093 116 R 4.1289 8.1873 119.7861 56.7291 30.3432 176.0392 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 4.40 0.00 2.18 2.15 0.00 3.67 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 1.87 1.99 0.00 3 S 8.57 4.64 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 4 K 9.18 4.69 0.00 1.66 1.64 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.41 7.81 5 K 8.57 4.59 0.00 1.70 1.70 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 6 N 8.25 5.23 0.00 2.72 2.71 0.00 0.00 5.95 6.94 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 7 G 7.68 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 R 8.55 4.69 0.00 1.87 1.95 0.00 3.03 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 9 S 8.36 4.41 0.00 3.89 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 G 9.17 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 11 P 0.00 4.45 0.00 2.30 2.12 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 12 Q 8.34 4.79 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 13 P 0.00 4.94 0.00 2.13 2.09 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 14 H 9.49 5.08 0.00 2.94 3.17 0.00 5.79 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 15 K 8.69 4.98 0.00 2.31 2.15 0.00 1.55 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 R 7.93 5.37 0.00 1.66 2.21 0.00 3.22 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 17 W 9.58 5.52 0.00 3.63 3.30 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 0.00 18 V 9.70 5.24 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 0.85 0.00 0.00 1.07 0.00 0.00 19 F 8.36 5.82 0.00 3.18 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 20 T 9.38 5.56 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 21 L 8.45 5.09 0.00 1.85 1.56 1.00 0.61 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 22 N 9.04 4.78 0.00 2.81 2.75 0.00 0.00 7.16 7.81 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 23 N 8.70 4.25 0.00 2.86 2.80 0.00 0.00 7.25 8.01 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 24 P 0.00 4.44 0.00 2.24 2.07 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 25 S 8.30 4.66 0.00 3.89 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 26 E 8.63 4.02 0.00 2.00 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 2.39 2.40 0.00 27 D 7.95 4.27 0.00 2.76 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 28 E 8.05 3.90 0.00 2.08 1.95 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 2.39 2.46 0.00 29 R 8.33 3.93 0.00 1.99 1.95 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 30 K 8.02 3.91 0.00 1.97 1.93 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 31 K 7.76 3.86 0.00 1.82 1.97 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 32 I 7.61 3.68 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.79 0.47 0.00 0.00 33 R 7.88 3.70 0.00 1.71 1.94 0.00 3.28 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 34 D 7.47 4.66 0.00 2.73 2.58 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 35 L 6.70 4.11 0.00 1.92 1.74 0.79 0.49 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 36 P 0.00 4.40 0.00 2.11 2.15 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 37 I 8.51 4.03 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.61 0.96 0.00 0.00 38 S 7.97 4.21 0.00 3.86 3.95 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 39 L 7.54 3.75 0.00 1.26 0.15 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.49 4.99 0.00 2.76 2.64 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 41 D 8.94 4.56 0.00 2.68 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 42 Y 7.94 5.32 0.00 3.21 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 43 F 9.05 4.80 0.00 2.95 2.60 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 0.00 0.00 0.00 44 I 8.78 4.97 1.83 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.56 0.00 0.00 45 V 8.91 4.76 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 1.29 0.00 0.00 0.89 0.00 0.00 46 G 8.75 4.45 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 0.00 47 E 8.89 4.86 0.00 1.94 1.83 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 2.24 2.27 0.00 48 E 8.87 4.41 0.00 2.28 1.83 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 2.18 2.19 0.00 49 G 8.14 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.93 0.00 2.65 2.75 0.00 0.00 7.07 7.64 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 51 E 7.93 4.55 0.00 2.00 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 2.28 2.25 0.00 52 E 8.67 3.98 0.00 1.92 1.84 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 2.29 2.31 0.00 53 G 9.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.10 4.64 0.00 1.72 1.91 0.00 3.26 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 55 T 8.10 4.31 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 1.22 0.00 0.00 56 P 0.00 4.75 0.00 2.32 2.24 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 57 H 8.90 5.25 0.00 3.18 3.12 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.70 4.80 0.00 1.76 1.56 1.05 0.52 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 59 Q 8.67 4.41 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.30 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 60 G 7.70 4.29 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 0.00 0.00 0.00 61 F 9.56 5.54 0.00 2.93 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 62 A 8.31 4.11 0.04 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 0.00 0.00 63 N 8.61 4.87 0.00 2.75 2.78 0.00 0.00 7.11 7.94 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 64 F 9.16 4.31 0.00 3.35 3.36 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 65 V 8.39 3.87 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 0.74 0.00 0.00 0.98 0.00 0.00 66 K 7.67 4.88 0.00 1.79 1.83 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.57 7.81 67 K 8.58 4.66 0.00 1.65 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 68 Q 8.82 4.51 0.00 1.18 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.43 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 69 T 7.89 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 1.15 0.00 0.00 70 F 8.87 2.96 0.00 3.08 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 71 N 8.01 3.87 0.00 2.77 2.67 0.00 0.00 6.82 6.29 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 72 K 7.72 3.62 0.00 1.54 1.34 0.00 0.61 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.22 7.81 73 V 7.62 3.83 1.50 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 1.14 0.00 0.00 -0.08 0.00 0.00 74 K 7.38 4.10 0.00 1.77 1.69 0.00 0.94 0.00 0.00 1.43 0.00 0.00 3.05 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.86 0.81 7.81 75 W 8.80 4.26 0.00 3.39 3.09 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 76 Y 7.92 4.46 0.00 3.05 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 77 L 8.17 3.96 0.00 1.69 1.77 1.14 0.50 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 78 G 8.00 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 79 A 8.44 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.22 4.09 0.00 1.84 2.06 0.00 3.21 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 81 C 7.33 4.68 0.00 3.00 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 82 H 9.08 4.64 0.00 3.42 3.43 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.52 5.33 2.30 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 1.46 1.39 1.15 0.00 0.00 84 E 9.27 5.06 0.00 2.18 1.84 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 2.27 2.40 0.00 85 K 8.52 3.94 0.00 1.41 1.30 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.78 7.81 86 A 8.20 4.42 0.70 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 0.00 0.00 87 K 8.21 4.24 0.00 1.68 1.56 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.31 7.81 88 G 8.44 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.20 4.35 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 90 D 8.46 4.59 0.00 2.72 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 91 Q 8.01 4.02 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 92 Q 7.76 4.08 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 93 N 8.33 4.30 0.00 2.95 3.05 0.00 0.00 6.61 6.09 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 94 K 8.47 4.30 0.00 2.10 1.96 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.57 7.81 95 E 8.75 4.06 0.00 2.13 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 2.34 2.62 0.00 96 Y 7.89 4.02 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 97 C 8.37 4.32 0.00 3.14 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 98 S 7.94 4.38 0.00 3.99 3.97 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 99 K 7.67 4.12 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.42 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.41 7.81 100 E 7.77 4.07 0.00 2.07 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 2.24 2.18 0.00 101 G 8.64 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 0.00 102 N 7.66 4.95 0.00 2.85 2.74 0.00 0.00 7.03 6.54 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 0.00 103 L 8.63 4.78 0.00 1.56 1.57 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.65 4.43 0.00 1.60 1.66 0.96 0.95 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 0.00 105 M 7.50 4.57 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.08 0.00 106 E 8.68 4.84 0.00 1.96 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 2.25 2.36 0.00 107 C 9.14 4.61 0.00 2.88 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 0.00 108 G 8.88 4.32 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 0.00 109 A 8.65 4.80 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 0.00 110 P 0.00 3.83 0.00 2.17 1.95 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 111 R 7.40 4.01 0.00 1.99 2.03 0.00 3.26 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 112 S 8.36 4.86 0.00 3.93 3.95 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 0.00 113 Q 8.36 4.41 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 114 G 7.97 4.22 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 0.00 115 Q 9.08 4.45 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.10 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 116 R 8.19 4.13 0.00 1.96 1.86 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00