NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3210 8.3449 121.7140 56.0929 30.0790 177.1433 5 S 4.3764 7.4886 113.3717 54.5780 64.7639 172.9206 6 P 4.5041 0.0000 0.0000 62.3948 30.8827 174.6299 7 Y 3.5414 7.4096 120.9458 59.5389 38.9877 168.9360 8 S 4.4077 7.9012 116.1635 58.3789 63.9549 174.1883 9 A 4.6300 8.4034 123.8109 51.7777 20.5803 175.7643 10 A 4.7490 7.8289 119.2746 52.7204 20.9358 177.9701 11 M 4.5796 8.2136 116.9666 56.2421 32.0515 176.5473 12 A 4.7315 8.9194 114.9056 51.2506 21.2372 177.5230 13 E 4.0005 8.7614 121.6617 58.8866 29.8878 178.7944 14 Q 4.4313 7.8101 113.5052 54.4331 30.7745 177.1428 15 R 4.1015 7.7825 117.8864 57.1670 30.3232 176.4792 16 H 4.5791 7.9231 112.2695 57.4063 29.0101 176.3749 17 Q 4.1115 7.9900 122.5708 58.1758 29.0629 176.5831 18 E 4.2020 7.7986 118.1003 58.0806 29.6813 178.7615 19 W 4.4448 7.9079 129.4003 60.6125 30.3767 177.9626 20 L 3.7103 7.9018 118.5215 57.6562 41.1375 179.3512 21 R 4.0735 8.0000 118.1531 59.2053 29.9034 178.7901 22 F 4.2525 7.8818 120.1721 60.9913 39.3848 177.7171 23 V 3.2438 7.5498 118.2747 65.6008 31.1784 177.6172 24 D 4.2048 9.1597 118.6049 57.0464 41.0460 178.2745 25 L 3.9188 7.9841 119.5442 57.6487 41.6846 179.2456 26 L 3.8574 8.2916 120.6280 58.0371 41.9288 178.7073 27 K 3.7694 8.3114 119.8798 59.7990 32.0699 178.3994 28 N 4.3988 8.7735 116.3799 55.7442 38.5591 177.1440 29 A 4.2258 8.3395 122.8573 54.8635 18.4803 178.9556 30 Y 4.1100 8.6437 114.6277 60.2844 38.0580 177.0920 31 Q 4.2766 7.7489 119.8356 57.8975 29.3641 176.3895 32 N 4.4899 8.2957 116.9842 53.4873 39.3369 175.6074 33 D 4.6479 8.0266 117.9793 54.9273 40.8189 174.0245 34 L 4.4018 7.6009 116.5224 56.9340 40.6694 177.2642 35 H 4.8279 8.0737 114.2161 56.1107 28.3129 176.5764 36 L 3.9297 7.1260 122.0677 57.8122 41.7927 177.4590 37 P 4.3624 0.0000 0.0000 66.0492 31.4806 178.2141 38 L 4.0685 8.0058 120.4030 57.1744 41.8254 178.5031 39 L 4.2484 8.8442 121.8091 57.9585 41.7428 178.6973 40 N 4.3661 7.9529 115.8636 56.3054 38.6889 177.1547 41 L 4.1565 7.8429 118.6429 57.9754 41.8501 178.7259 42 M 4.4651 8.4332 117.5712 56.9179 32.3292 175.4908 43 L 4.0104 8.3128 119.8185 55.4140 41.7896 176.2980 44 T 4.7645 8.1172 113.1735 58.3707 72.0105 172.9733 45 P 4.2595 0.0000 0.0000 66.0954 31.5077 178.0479 46 D 4.5205 8.0556 118.3623 56.2495 41.1054 178.1588 47 E 3.9811 8.0736 119.3767 59.5015 29.8990 178.9202 48 R 4.0568 8.1453 118.0293 58.8678 29.9235 178.8943 49 E 3.8748 8.6914 119.5262 59.3377 29.7408 178.6936 50 A 4.0213 8.6749 121.5131 55.5800 18.4349 178.8419 51 L 4.1161 8.8380 118.4538 57.4620 41.7358 179.5278 52 G 3.8406 8.5812 106.1621 48.3593 0.0000 175.5455 53 T 3.8759 8.1498 118.1462 66.6852 68.4729 176.6544 54 R 3.9541 8.1865 120.7184 59.3126 30.1220 178.5288 55 V 3.5394 7.7223 118.0325 65.9705 31.3546 178.1033 56 R 3.8559 7.9263 117.9621 59.4793 30.0575 177.9309 57 I 3.9307 8.1522 119.8768 64.9674 37.2359 178.5262 58 V 3.6291 7.9945 112.6119 64.4361 31.4359 178.2475 59 E 3.8654 7.9110 118.3128 59.5506 29.3989 178.7190 60 E 3.9712 9.0409 119.6523 59.1204 29.2344 178.8699 61 L 4.2599 8.1071 120.0802 58.5405 42.1977 178.9026 62 L 4.0775 7.5793 117.8368 57.7372 42.0535 178.4823 63 R 4.1369 7.7035 118.4355 58.4265 30.0159 176.4380 64 G 4.0606 8.1238 107.6446 45.4561 0.0000 174.2615 65 E 4.7430 7.6615 116.5824 54.4169 29.8129 175.4074 66 M 4.1401 8.0828 119.9894 58.0848 33.0576 177.1292 67 S 4.7642 7.8183 118.8660 58.9693 65.0498 178.1562 68 Q 4.0871 8.4541 120.4111 58.8570 28.4030 177.5214 69 R 4.1097 7.6339 116.3691 58.2761 30.4820 177.5874 70 E 4.7301 7.8282 117.1768 56.3520 31.5171 176.2299 71 L 4.8980 8.4206 116.2165 54.5150 42.4068 176.8536 72 K 4.7373 7.6671 117.9642 55.9726 35.1190 178.1681 73 N 4.5386 8.1821 115.0566 54.7771 39.1629 174.6507 74 E 4.4064 7.9514 116.7214 56.1670 30.1202 174.8226 75 F 4.3378 7.7143 126.8744 58.3866 42.1037 173.8698 76 G 4.1468 7.3494 116.7193 44.7909 0.0000 172.4750 77 A 5.7306 7.4101 128.4339 52.5022 20.2618 175.8174 78 G 4.0300 7.1916 106.0366 45.2337 0.0000 174.2280 79 I 3.9467 7.9041 120.7583 62.3850 37.6033 177.0085 80 A 4.1607 6.9904 120.9994 52.9722 21.0462 178.2314 81 T 3.8614 7.4281 112.1199 66.4369 68.9649 176.8418 82 I 3.6270 7.2522 119.4683 63.5381 38.0419 176.3159 83 T 4.4185 7.4773 112.1090 61.2837 67.3795 173.4763 84 R 3.7725 6.7804 118.3137 55.3500 30.1629 175.6294 85 G 3.9294 8.6089 114.9458 45.8255 0.0000 171.8984 86 S 4.7745 7.9386 120.5843 56.4338 65.3908 172.2605 87 N 4.9199 8.4867 117.2342 51.5460 40.9952 173.7934 88 S 4.0895 8.6098 122.7169 60.3889 62.5020 175.7413 89 L 4.1152 8.5430 131.6751 57.7174 42.9746 177.8935 90 K 4.3282 7.9868 115.6077 57.7657 32.1207 176.8232 91 A 4.4241 7.5462 119.1814 50.2115 20.4371 174.3246 92 A 3.6345 7.6184 121.6055 51.6879 15.9466 176.4834 93 P 4.2817 0.0000 0.0000 66.1859 31.9470 178.7077 94 V 3.6235 7.8714 117.3996 65.4778 31.2856 177.6831 95 E 4.0354 7.8890 118.6754 59.0512 29.4368 178.8599 96 L 4.0712 7.7410 119.9613 58.3359 42.3445 178.8482 97 R 3.9988 8.4142 118.8698 59.3541 29.6432 178.5466 98 Q 4.7567 7.7498 118.7355 58.1027 29.0203 177.9750 99 W 4.6259 8.1487 128.9120 60.7676 30.8093 178.0899 100 L 3.8127 7.9532 118.3597 57.6770 41.0054 179.2765 101 E 4.0464 8.4640 118.4248 58.6518 28.8436 178.6103 102 E 4.1115 8.2494 119.7557 58.5705 29.7030 178.1454 103 V 3.4191 7.6417 116.3369 64.6194 31.7999 176.9550 104 L 4.3942 7.8274 117.5225 55.8164 42.1619 177.1114 105 L 4.5196 7.3562 116.6031 54.3209 41.1803 177.5491 106 K 3.7439 6.8703 119.8326 57.6964 32.8930 176.5686 107 S 5.1243 7.4175 110.9647 57.7158 65.3715 176.9505 108 D 4.2875 7.7866 124.3859 53.7433 39.0966 175.8597 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 4 Q 8.34 4.32 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 5 S 7.49 4.38 0.00 3.94 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 6 P 0.00 4.50 0.00 2.23 2.15 0.00 3.91 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 2.19 2.04 0.00 7 Y 7.41 3.54 0.00 3.09 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 8 S 7.90 4.41 0.00 3.97 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 9 A 8.40 4.63 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 10 A 7.83 4.75 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 11 M 8.21 4.58 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 12 A 8.92 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 13 E 8.76 4.00 0.00 2.00 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 0.00 2.35 2.40 0.00 14 Q 7.81 4.43 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.74 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 15 R 7.78 4.10 0.00 2.24 2.09 0.00 3.11 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 16 H 7.92 4.58 0.00 3.45 3.53 0.00 5.33 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.99 4.11 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 18 E 7.80 4.20 0.00 2.25 2.24 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 2.41 2.48 0.00 19 W 7.91 4.44 0.00 3.54 3.34 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 20 L 7.90 3.71 0.00 1.69 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.00 4.07 0.00 2.07 1.93 0.00 3.22 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 22 F 7.88 4.25 0.00 3.15 2.69 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 23 V 7.55 3.24 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 0.64 0.00 0.00 -0.31 0.00 0.00 24 D 9.16 4.20 0.00 2.78 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 25 L 7.98 3.92 0.00 2.02 1.69 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.29 3.86 0.00 1.59 1.58 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.31 3.77 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 28 N 8.77 4.40 0.00 3.02 2.85 0.00 0.00 6.92 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 29 A 8.34 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.64 4.11 0.00 3.01 3.04 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 31 Q 7.75 4.28 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 32 N 8.30 4.49 0.00 3.06 2.82 0.00 0.00 6.82 8.56 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 33 D 8.03 4.65 0.00 3.03 2.74 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 34 L 7.60 4.40 0.00 1.97 1.90 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.07 4.83 0.00 3.66 3.75 0.00 5.31 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.13 3.93 0.00 1.63 1.78 0.87 0.92 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 37 P 0.00 4.36 0.00 2.28 2.31 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 38 L 8.01 4.07 0.00 1.79 1.86 1.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.84 4.25 0.00 1.78 1.81 1.01 0.55 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 40 N 7.95 4.37 0.00 2.94 2.87 0.00 0.00 7.07 7.41 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 41 L 7.84 4.16 0.00 1.67 1.78 0.95 0.90 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 42 M 8.43 4.47 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 43 L 8.31 4.01 0.00 1.81 1.68 0.97 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.12 4.76 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 1.24 0.00 0.00 45 P 0.00 4.26 0.00 2.30 2.32 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 D 8.06 4.52 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 47 E 8.07 3.98 0.00 2.10 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 2.41 2.42 0.00 48 R 8.15 4.06 0.00 2.15 1.98 0.00 3.18 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 49 E 8.69 3.87 0.00 2.08 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 0.00 2.31 2.48 0.00 50 A 8.67 4.02 1.43 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 0.00 0.00 0.00 51 L 8.84 4.12 0.00 1.95 1.67 0.97 1.01 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 52 G 8.58 3.84 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 0.00 0.00 0.00 53 T 8.15 3.88 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 1.22 0.00 0.00 54 R 8.19 3.95 0.00 2.03 1.94 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 55 V 7.72 3.54 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 0.99 0.00 0.00 1.00 0.00 0.00 56 R 7.93 3.86 0.00 1.95 2.04 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 57 I 8.15 3.93 2.07 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 1.52 0.57 0.91 0.00 0.00 58 V 7.99 3.63 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 1.02 0.00 0.00 0.95 0.00 0.00 59 E 7.91 3.87 0.00 2.14 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 2.29 2.38 0.00 60 E 9.04 3.97 0.00 2.14 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 0.00 2.33 2.32 0.00 61 L 8.11 4.26 0.00 1.79 1.71 0.94 0.98 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 62 L 7.58 4.08 0.00 1.69 1.80 0.91 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 63 R 7.70 4.14 0.00 2.04 1.95 0.00 3.28 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 64 G 8.12 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 0.00 0.00 0.00 65 E 7.66 4.74 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 66 M 8.08 4.14 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 67 S 7.82 4.76 0.00 3.80 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 68 Q 8.45 4.09 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 69 R 7.63 4.11 0.00 1.84 1.91 0.00 3.36 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 70 E 7.83 4.73 0.00 1.91 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 2.20 2.19 0.00 71 L 8.42 4.90 0.00 1.65 1.48 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.67 4.74 0.00 1.83 1.84 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.35 7.81 73 N 8.18 4.54 0.00 2.67 2.85 0.00 0.00 6.89 7.65 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 74 E 7.95 4.41 0.00 2.02 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 2.35 2.34 0.00 75 F 7.71 4.34 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.35 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 77 A 7.41 5.73 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 78 G 7.19 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 79 I 7.90 3.95 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 1.05 0.00 0.00 80 A 6.99 4.16 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.43 3.86 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 1.18 0.00 0.00 82 I 7.25 3.63 1.86 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 1.16 0.59 0.85 0.00 0.00 83 T 7.48 4.42 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 1.14 0.00 0.00 84 R 6.78 3.77 0.00 1.86 1.83 0.00 3.19 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 85 G 8.61 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 86 S 7.94 4.77 0.00 3.97 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 87 N 8.49 4.92 0.00 2.69 2.69 0.00 0.00 6.78 7.54 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 88 S 8.61 4.09 0.00 3.88 3.66 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 89 L 8.54 4.12 0.00 1.72 1.65 0.92 0.59 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 90 K 7.99 4.33 0.00 1.78 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.37 7.81 91 A 7.55 4.42 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 92 A 7.62 3.63 1.38 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 0.00 0.00 93 P 0.00 4.28 0.00 2.29 2.32 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 94 V 7.87 3.62 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 1.03 0.00 0.00 0.94 0.00 0.00 95 E 7.89 4.04 0.00 2.09 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 2.45 0.00 96 L 7.74 4.07 0.00 1.78 1.81 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.41 4.00 0.00 1.92 2.03 0.00 3.16 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 98 Q 7.75 4.76 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 99 W 8.15 4.63 0.00 3.40 3.35 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 0.00 100 L 7.95 3.81 0.00 1.74 1.62 0.90 0.63 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 0.00 101 E 8.46 4.05 0.00 2.23 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 0.00 2.34 2.40 0.00 102 E 8.25 4.11 0.00 2.40 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 2.35 2.38 0.00 103 V 7.64 3.42 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 0.76 0.00 0.00 0.67 0.00 0.00 104 L 7.83 4.39 0.00 1.82 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.36 4.52 0.00 1.82 1.67 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 106 K 6.87 3.74 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.41 7.81 107 S 7.42 5.12 0.00 3.91 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.79 4.29 0.00 2.75 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