NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2381 8.3144 119.9989 56.7103 34.2371 174.2091 2 E 4.3532 8.3121 120.2017 52.9424 31.0462 174.2351 3 T 4.4417 8.5957 118.7464 60.6559 72.6771 174.8918 4 A 3.9856 8.5562 122.6575 55.4537 18.2246 179.8709 5 A 3.9846 7.9745 118.5114 55.2511 18.6105 179.5986 6 A 4.0459 7.9172 119.4000 54.9507 18.3213 179.8428 7 K 4.1324 8.4110 120.1002 59.0366 32.2138 178.7895 8 F 4.1053 8.2798 120.9425 61.3938 39.2545 176.9162 9 E 4.0159 8.4012 118.1721 59.5046 29.0748 179.4148 10 R 3.8732 7.9062 117.4730 59.5937 30.2531 178.2950 11 Q 3.9303 8.1596 117.1161 58.1478 28.9798 176.4293 12 H 4.6032 7.9957 114.5210 54.2023 31.8095 173.5174 13 M 4.7913 8.0877 118.6896 54.0953 33.3847 176.1655 14 D 4.6775 9.3177 123.4675 52.3419 43.1266 174.8984 15 S 4.9930 8.5059 119.1098 57.7873 63.6033 175.5923 16 S 4.6250 8.0275 115.0172 59.2445 63.7754 174.2499 17 T 4.4875 7.4546 111.4778 60.5914 70.7543 173.8180 18 S 4.0635 8.8969 123.3252 60.2193 63.1654 174.1014 19 A 4.4236 7.6375 122.6518 50.3186 20.2694 177.0282 20 A 3.8047 7.5638 130.3678 50.9832 18.4650 176.8839 21 S 3.8420 8.4618 120.4293 59.0984 62.4347 177.6124 22 S 3.5791 8.4185 119.7359 57.4637 62.1494 172.7869 23 S 4.2484 8.7799 122.3788 60.7501 62.8044 174.4297 24 N 4.8050 8.0139 118.7506 53.6711 39.0647 175.4610 25 Y 3.9450 8.7276 120.0163 61.1718 38.6806 177.7131 26 C 4.1051 8.5739 117.4678 60.0543 38.5877 175.6476 27 N 4.3876 8.2832 117.8347 56.4164 38.0672 177.2453 28 Q 3.8203 7.9234 118.7168 59.4961 29.0242 178.2799 29 M 3.7434 7.5877 122.6808 57.4715 31.7384 178.5995 30 M 4.0488 8.0489 119.1464 58.2043 31.9846 179.0759 31 K 4.0596 7.7375 119.9326 58.9905 32.4133 179.7153 32 S 4.1985 8.4044 114.6068 60.8518 62.6385 175.5049 33 R 4.4079 7.8154 119.6195 55.2586 30.2066 175.6929 34 N 4.2601 7.9500 115.1151 54.7281 36.2837 174.8260 35 L 4.5170 8.1431 116.6667 55.0505 42.5738 177.9464 36 T 5.6808 7.8517 107.4469 60.2118 69.6964 175.9075 37 K 4.1686 8.4188 122.6322 60.0869 32.8157 177.6647 38 D 4.6350 7.7751 116.7234 52.9856 40.4887 175.5193 39 R 3.4576 7.1703 114.9481 55.9203 31.1257 174.1160 40 C 4.9216 8.6431 116.2973 55.0900 39.4487 173.7057 41 K 4.0359 8.3357 127.0854 56.0462 32.3783 175.0512 42 P 4.7169 0.0000 0.0000 65.7891 32.2792 176.2756 43 V 5.0498 7.5593 117.0379 61.6665 34.8703 173.4740 44 N 4.6740 8.8223 122.4629 52.8385 43.1511 172.9983 45 T 4.8641 7.9255 121.5444 61.6957 71.5004 172.8916 46 F 4.8605 8.9896 124.9636 55.6433 42.0253 174.7150 47 V 4.5019 9.0039 122.7631 61.1408 33.5336 175.6090 48 H 5.8063 8.7166 128.6798 53.9356 26.2229 173.2228 49 E 4.8136 7.6819 118.3864 53.3433 34.6085 176.4044 50 S 4.4119 8.3330 114.7093 58.2551 65.1249 175.1828 51 L 4.0446 8.5446 123.6314 58.0025 41.4696 179.6040 52 A 4.0247 8.0179 120.2153 55.4282 18.1171 179.3062 53 D 4.3320 8.0224 116.3285 57.4175 41.1789 178.8821 54 V 3.8119 7.8644 118.7758 65.8880 31.7079 178.3459 55 K 3.9424 8.5937 118.4659 59.0883 31.8515 179.0564 56 A 4.0686 8.0234 120.8869 54.5221 18.2172 179.5958 57 V 3.7935 7.7095 116.9485 65.8834 31.3176 176.8893 58 C 3.8733 7.7981 114.6451 57.9902 39.9257 174.0944 59 S 4.6473 7.5753 114.2450 57.8903 63.6506 174.8438 60 Q 4.5632 7.5412 121.0730 55.4223 28.6022 176.3208 61 K 3.9984 8.1865 125.6810 57.7096 33.1197 176.7499 62 K 4.1313 8.6544 130.0459 56.4655 32.9387 176.1639 63 V 4.5596 8.8214 120.5128 59.4179 36.6623 175.0246 64 T 3.9769 8.2713 118.4640 63.7512 69.0314 175.9004 65 C 4.7250 9.0396 123.9073 55.8634 41.3181 175.0560 66 K 3.8382 9.2170 121.4682 59.4289 31.5675 178.3032 67 N 4.5087 8.0276 113.5799 53.1454 37.7522 175.7684 68 G 3.9509 7.8786 107.9884 45.4038 0.0000 173.9985 69 Q 4.2612 8.8146 119.7071 56.1404 29.3426 176.3956 70 T 4.5417 8.2653 107.0012 61.5996 69.2913 173.6374 71 N 4.9320 7.8220 118.9281 54.1506 38.2523 174.9135 72 C 5.4508 7.5035 114.6101 56.5838 43.6573 173.1557 73 Y 5.2182 8.8701 118.7477 56.4045 42.0909 174.0469 74 Q 5.1724 9.3354 125.5910 54.3278 31.3982 174.7611 75 S 4.5731 8.7481 121.4742 58.1502 63.3515 174.3015 76 K 4.0328 9.6014 126.1245 58.9878 32.1236 177.0073 77 S 4.7584 7.7062 111.2148 56.4826 65.1842 173.1622 78 T 4.1993 7.9488 110.6772 61.7117 69.8254 173.8539 79 M 5.0553 9.4161 122.6432 53.4153 36.7765 175.0516 80 R 4.7016 9.1630 121.6734 56.2727 31.2905 175.8942 81 I 5.1812 8.8030 116.9120 59.4920 42.0396 174.2553 82 T 5.0791 8.8871 118.7319 62.0519 72.2184 172.8509 83 D 5.1741 9.5601 126.7080 53.2417 43.2937 174.7877 84 C 5.5001 9.2784 120.5677 55.2139 43.5510 172.9585 85 R 5.2421 8.8905 123.9145 54.1347 32.9376 174.2429 86 E 4.0206 8.8585 126.2689 57.1936 30.4716 177.6662 87 T 4.2891 8.4661 114.7255 60.4036 70.5896 175.8369 88 G 3.6287 8.5914 110.0121 48.5337 0.0000 174.6131 89 S 4.5173 7.8203 111.6846 57.7053 63.4261 173.9286 90 S 4.0827 7.3230 115.4692 58.4154 62.6359 173.7437 91 K 4.3244 8.6343 128.0472 55.2445 34.5160 174.2542 92 Y 4.2813 8.8238 127.7589 58.0137 38.9136 173.9986 93 P 3.8598 0.0000 0.0000 62.8558 32.1462 176.9073 94 N 4.6518 7.9508 119.9038 52.4042 36.9449 173.6375 95 C 4.5682 7.8276 116.5593 56.6084 41.9039 173.4021 96 A 5.0295 8.3713 124.5393 50.4517 21.9898 174.6148 97 Y 5.2125 9.6120 118.4005 56.1107 42.6313 174.6214 98 K 4.6380 9.1116 122.8869 55.1784 34.5671 174.9309 99 T 5.0396 8.6005 124.0391 62.7625 70.1537 174.2833 100 T 4.6364 8.9636 122.4903 61.9860 72.1225 173.0919 101 Q 4.9879 8.7028 125.1060 55.0897 30.8811 174.5584 102 A 4.5009 8.2931 122.5980 51.6329 23.7576 174.7516 103 N 5.4426 8.6281 115.4508 51.9007 41.4366 174.5175 104 K 4.6737 8.9279 122.1263 55.2337 37.7474 175.1310 105 H 4.9383 9.3967 119.5310 55.7718 29.9482 174.9874 106 I 4.9554 8.8028 115.6631 59.2468 40.9356 174.3043 107 I 4.9230 8.2523 124.1447 59.7188 40.1814 175.1319 108 V 4.7538 8.5756 118.7967 59.4528 36.3216 174.2189 109 A 5.0313 8.6991 124.7968 51.0298 20.6788 175.7545 110 C 5.0330 8.3713 119.0603 55.3754 38.7139 173.3555 111 G 3.9461 8.3792 106.6844 46.8359 0.0000 173.8870 112 G 4.2313 9.6483 107.6993 44.4388 0.0000 172.2348 113 K 4.6407 8.1172 119.5518 53.8826 33.7631 174.4135 114 P 4.3456 0.0000 0.0000 62.7322 31.7811 175.5227 115 Y 4.8563 8.3211 121.2592 57.2541 39.0364 174.7317 116 V 4.4416 8.1851 119.2416 58.4148 36.8984 173.3588 117 P 4.4045 0.0000 0.0000 63.1699 30.8780 176.8696 118 V 4.4406 8.3628 121.7725 61.3552 33.2179 175.1434 119 H 5.0648 7.8683 120.3991 55.1211 33.4202 171.6369 120 F 4.6684 8.8144 128.0905 57.5955 39.4578 174.3279 121 D 4.5922 8.4251 126.7883 56.0963 42.1003 175.6990 122 A 4.6423 6.5321 117.3031 51.4451 22.6182 174.7699 123 S 5.1272 8.8412 113.2584 56.6822 65.9269 174.7267 124 V 4.1381 9.1366 116.0974 61.5147 32.0948 175.4937 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 K 8.31 4.24 0.00 1.87 1.90 0.00 1.41 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 2 E 8.31 4.35 0.00 2.09 1.85 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 2.31 2.38 0.00 3 T 8.60 4.44 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 1.23 0.00 0.00 4 A 8.56 3.99 1.36 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 5 A 7.97 3.98 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 6 A 7.92 4.05 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 7 K 8.41 4.13 0.00 1.95 2.04 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.28 4.11 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.02 0.00 2.30 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 0.00 2.52 2.77 0.00 10 R 7.91 3.87 0.00 1.81 2.15 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 11 Q 8.16 3.93 0.00 2.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 12 H 8.00 4.60 0.00 2.13 2.70 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.09 4.79 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 14 D 9.32 4.68 0.00 2.81 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 15 S 8.51 4.99 0.00 4.04 4.11 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 16 S 8.03 4.63 0.00 4.01 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 17 T 7.45 4.49 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 1.22 0.00 0.00 18 S 8.90 4.06 0.00 3.83 3.94 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 0.00 0.00 0.00 19 A 7.64 4.42 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 20 A 7.56 3.80 -0.63 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 0.00 0.00 21 S 8.46 3.84 0.00 3.81 3.62 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 22 S 8.42 3.58 0.00 3.92 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 23 S 8.78 4.25 0.00 4.04 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 24 N 8.01 4.81 0.00 2.82 2.80 0.00 0.00 6.66 6.86 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 25 Y 8.73 3.95 0.00 3.10 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 C 8.57 4.11 0.00 3.11 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 27 N 8.28 4.39 0.00 2.90 2.92 0.00 0.00 6.86 7.74 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 28 Q 7.92 3.82 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.09 0.00 29 M 7.59 3.74 0.00 0.78 1.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 30 M 8.05 4.05 0.00 1.64 1.87 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.36 0.00 31 K 7.74 4.06 0.00 1.80 1.81 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 32 S 8.40 4.20 0.00 3.95 4.04 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 33 R 7.82 4.41 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 34 N 7.95 4.26 0.00 2.90 2.94 0.00 0.00 6.85 7.13 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 35 L 8.14 4.52 0.00 1.77 1.63 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.85 5.68 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 1.41 0.00 0.00 37 K 8.42 4.17 0.00 1.94 2.03 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.48 7.81 38 D 7.78 4.64 0.00 2.73 2.82 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 39 R 7.17 3.46 0.00 1.73 1.73 0.00 2.87 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 40 C 8.64 4.92 0.00 3.06 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 41 K 8.34 4.04 0.00 1.90 1.80 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.40 7.81 42 P 0.00 4.72 0.00 2.19 2.32 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 43 V 7.56 5.05 2.11 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 0.82 0.00 0.00 0.98 0.00 0.00 44 N 8.82 4.67 0.00 2.66 2.28 0.00 0.00 7.13 7.34 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 45 T 7.93 4.86 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 0.88 0.00 0.00 46 F 8.99 4.86 0.00 2.95 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 47 V 9.00 4.50 2.13 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 1.14 0.00 0.00 0.98 0.00 0.00 48 H 8.72 5.81 0.00 3.03 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.81 0.00 1.95 1.85 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 2.25 2.27 0.00 50 S 8.33 4.41 0.00 4.07 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 51 L 8.54 4.04 0.00 1.75 1.82 0.97 1.04 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 52 A 8.02 4.02 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 53 D 8.02 4.33 0.00 2.86 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 54 V 7.86 3.81 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 1.22 0.00 0.00 1.10 0.00 0.00 55 K 8.59 3.94 0.00 1.79 1.79 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 56 A 8.02 4.07 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 57 V 7.71 3.79 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 1.08 0.00 0.00 0.98 0.00 0.00 58 C 7.80 3.87 0.00 2.89 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 59 S 7.58 4.65 0.00 3.92 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 60 Q 7.54 4.56 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 61 K 8.19 4.00 0.00 1.90 1.76 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.55 7.81 62 K 8.65 4.13 0.00 1.85 1.64 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.01 0.97 7.81 63 V 8.82 4.56 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 0.80 0.00 0.00 0.83 0.00 0.00 64 T 8.27 3.98 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 1.18 0.00 0.00 65 C 9.04 4.72 0.00 3.06 3.08 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 66 K 9.22 3.84 0.00 1.71 1.88 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.54 7.81 67 N 8.03 4.51 0.00 2.80 2.92 0.00 0.00 6.32 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 68 G 7.88 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 0.00 0.00 0.00 69 Q 8.81 4.26 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 70 T 8.27 4.54 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 1.17 0.00 0.00 71 N 7.82 4.93 0.00 2.95 3.15 0.00 0.00 5.99 7.68 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 72 C 7.50 5.45 0.00 2.97 2.87 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 0.00 0.00 0.00 73 Y 8.87 5.22 0.00 2.89 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 74 Q 9.34 5.17 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 75 S 8.75 4.57 0.00 3.95 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 76 K 9.60 4.03 0.00 1.74 1.91 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.41 7.81 77 S 7.71 4.76 0.00 4.01 3.87 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 0.00 0.00 0.00 78 T 7.95 4.20 4.18 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 1.04 0.00 0.00 79 M 9.42 5.06 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 80 R 9.16 4.70 0.00 1.86 1.90 0.00 3.12 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 81 I 8.80 5.18 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.98 0.00 0.00 82 T 8.89 5.08 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 1.35 0.00 0.00 83 D 9.56 5.17 0.00 2.59 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 84 C 9.28 5.50 0.00 2.92 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 85 R 8.89 5.24 0.00 1.95 1.79 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 86 E 8.86 4.02 0.00 2.02 1.79 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 2.02 1.88 0.00 87 T 8.47 4.29 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 1.22 0.00 0.00 88 G 8.59 3.63 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 0.00 0.00 0.00 89 S 7.82 4.52 0.00 3.96 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 90 S 7.32 4.08 0.00 3.87 3.80 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 0.00 0.00 0.00 91 K 8.63 4.32 0.00 1.74 1.60 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.53 7.81 92 Y 8.82 4.28 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 93 P 0.00 3.86 0.00 1.81 1.03 0.00 3.62 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 94 N 7.95 4.65 0.00 2.84 2.77 0.00 0.00 7.03 8.12 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 95 C 7.83 4.57 0.00 3.13 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 96 A 8.37 5.03 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 97 Y 9.61 5.21 0.00 2.89 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 98 K 9.11 4.64 0.00 1.85 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 99 T 8.60 5.04 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 1.33 0.00 0.00 100 T 8.96 4.64 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 1.24 0.00 0.00 101 Q 8.70 4.99 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 102 A 8.29 4.50 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 0.00 103 N 8.63 5.44 0.00 2.54 2.71 0.00 0.00 6.65 7.61 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 0.00 104 K 8.93 4.67 0.00 1.73 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 105 H 9.40 4.94 0.00 3.17 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.80 4.96 1.90 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 1.29 0.75 1.11 0.00 0.00 107 I 8.25 4.92 1.75 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 1.16 0.65 0.85 0.00 0.00 108 V 8.58 4.75 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 0.71 0.00 0.00 0.89 0.00 0.00 109 A 8.70 5.03 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 0.00 110 C 8.37 5.03 0.00 1.90 1.75 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 0.00 111 G 8.38 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 0.00 0.00 0.00 112 G 9.65 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 0.00 0.00 0.00 0.00 113 K 8.12 4.64 0.00 1.67 1.69 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.48 7.81 114 P 0.00 4.35 0.00 2.23 2.05 0.00 3.83 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 1.99 1.96 0.00 115 Y 8.32 4.86 0.00 2.83 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 0.00 116 V 8.19 4.44 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 0.68 0.00 0.00 0.83 0.00 0.00 117 P 0.00 4.40 0.00 0.49 1.02 0.00 3.37 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 118 V 8.36 4.44 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 0.63 0.00 0.00 0.97 0.00 0.00 119 H 7.87 5.06 0.00 3.24 3.17 0.00 5.66 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 0.00 120 F 8.81 4.67 0.00 2.69 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 0.00 121 D 8.43 4.59 0.00 2.57 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 0.00 122 A 6.53 4.64 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 0.00 123 S 8.84 5.13 0.00 3.99 4.11 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 0.00 124 V 9.14 4.14 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 0.68 0.00 0.00 1.05 0.00 0.00