NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4325 8.3193 115.2928 58.4645 63.0744 173.4540 9 T 3.9209 8.5529 117.4038 61.4075 69.1973 172.4831 10 G 3.8127 7.9659 109.6164 46.9024 0.0000 175.1719 11 F 4.8846 7.9611 127.5826 57.6477 39.5829 174.8499 12 L 3.9220 6.6597 119.9508 53.7235 42.1286 177.0312 13 V 3.7210 7.6360 120.4480 61.8987 31.9696 177.0861 14 K 4.2936 8.3725 121.5283 55.8020 34.3172 178.2042 15 Q 3.8000 8.4274 122.2836 59.2641 29.0756 178.3709 16 R 3.9106 8.1333 119.0672 59.6439 30.0609 178.0756 17 A 4.7143 8.0513 121.1387 54.7579 18.1658 179.1072 18 F 4.1732 8.4432 119.1832 61.6464 39.4150 177.4034 19 L 4.3097 8.9474 118.9578 57.6202 41.4589 179.5075 20 K 3.9554 8.6653 119.1345 59.1634 31.9220 178.8864 21 L 4.1360 8.3465 120.7091 58.7791 42.0511 178.8766 22 Y 3.9572 7.9090 116.0689 61.0727 37.4887 178.4606 23 M 4.0903 8.0690 119.3229 58.2911 32.3600 178.4801 24 I 3.9969 7.8094 119.8721 64.9280 37.2685 178.4304 25 T 3.9765 7.9159 116.3928 67.2608 68.3338 176.5049 26 M 4.2210 8.2924 119.9080 58.1903 31.7298 178.7724 27 T 3.9946 7.7473 115.3769 66.1282 68.6070 176.3920 28 E 4.3856 8.3750 119.6836 58.5224 29.7535 177.9266 29 Q 4.6187 7.6329 115.2509 56.0836 30.4030 174.4971 30 E 4.6494 7.9835 117.4962 55.8762 33.7529 175.2205 31 R 4.5280 8.2148 118.0451 54.3625 30.1322 173.7220 32 L 4.7582 8.0429 121.2553 52.2705 45.0965 176.2985 33 Y 5.0677 7.0993 120.9745 55.8547 41.3160 176.5516 34 G 3.7918 8.6911 103.6971 48.1069 0.0000 175.9482 35 L 3.9772 8.2908 121.4279 56.5215 41.8224 179.8126 36 K 3.6747 7.4379 119.3844 59.1789 32.2033 178.5137 37 L 3.8881 8.0561 119.7103 57.8237 41.5111 179.1735 38 L 3.8458 8.0143 120.3524 58.1345 41.9136 178.7376 39 E 3.8261 8.0832 119.0078 59.1937 29.5780 178.7581 40 V 3.5282 7.9521 118.6027 66.0550 31.6349 177.8383 41 L 4.0518 8.3333 118.8425 58.0639 41.4775 179.7609 42 R 3.8475 8.0976 117.9794 59.2338 29.7324 179.1564 43 S 4.0598 7.8201 111.8931 61.4805 62.5250 175.6094 44 E 4.0060 8.1549 120.1124 58.7808 29.4596 178.4669 45 F 4.8475 7.9045 114.9974 57.1253 39.1762 177.3949 46 K 3.9199 7.6441 120.9901 59.5041 31.9643 177.5548 47 E 4.1066 8.0390 118.4145 59.3626 29.8171 177.9593 48 I 3.8100 7.7781 117.6813 63.0728 37.2828 176.9383 49 G 4.0775 8.1751 106.5554 44.9851 0.0000 173.1073 50 F 4.7185 8.1162 122.4509 57.2624 40.1039 175.6064 51 K 4.2284 8.1270 129.2482 52.9495 31.7798 173.3609 52 P 4.1275 0.0000 0.0000 62.4424 32.0540 176.6689 53 N 4.9140 8.1031 117.0538 51.2741 41.1461 175.4327 54 H 4.0077 8.5202 116.2593 58.8828 28.5047 177.4280 55 T 4.0704 7.6206 115.3707 64.6595 67.2710 175.8530 56 E 3.9636 8.5553 121.6482 58.9171 29.6112 178.9256 57 V 3.5337 7.4518 118.6700 66.1151 31.5028 177.6785 58 Y 4.3498 7.7771 116.4933 61.1778 37.6282 178.6548 59 R 4.0282 8.3552 119.1187 59.3526 30.1777 179.1494 60 S 4.1099 8.1896 114.7778 61.6722 63.0396 176.5172 61 L 3.7158 7.9276 121.3908 58.4484 41.3975 179.6326 62 H 4.2995 8.7046 116.1480 58.5518 28.5990 177.5488 63 E 3.9801 8.4269 121.6870 59.2747 29.5172 178.8923 64 L 4.1498 8.0189 118.9330 57.4253 41.5449 179.6027 65 L 4.2186 7.7468 118.9071 58.0193 41.4044 179.2028 66 D 4.4357 8.0050 117.6181 57.3588 40.8484 178.1952 67 D 4.5914 8.5072 118.4522 55.1330 40.8018 177.4413 68 G 3.9669 7.7561 107.2520 45.9566 0.0000 174.4249 69 I 4.2013 8.0118 122.7706 62.8709 38.3716 175.9592 70 L 5.3749 7.9091 119.3272 52.8100 45.0739 176.0546 71 K 4.7358 8.8658 118.4110 55.5389 36.0748 175.7849 72 Q 4.0934 8.5854 121.3143 55.5717 30.2695 175.7849 73 I 4.3403 8.4445 122.9126 59.2117 40.1542 174.8260 74 K 4.3835 8.5623 127.4238 56.0672 32.4672 176.8938 75 V 4.3167 8.7532 125.3121 60.9430 34.5102 174.2793 76 K 4.7491 8.5456 128.1923 54.3508 33.4568 174.0658 77 K 4.2629 8.7006 125.5617 55.7915 32.8953 176.1752 78 E 4.6014 9.4402 124.8516 54.9929 31.3461 175.5690 79 G 3.8149 8.9522 107.1184 44.1564 0.0000 174.8828 80 A 4.1305 8.8925 124.5796 54.8880 18.4593 178.5688 81 K 4.4349 7.5277 116.1725 53.2850 32.0500 174.0424 82 L 4.1975 8.1505 122.5392 55.9149 42.9199 175.8588 83 Q 4.5018 8.9518 124.1024 53.8282 32.8402 174.4723 84 E 4.9161 8.1298 121.8612 53.5196 28.8831 174.0624 85 V 4.1097 7.3375 117.2703 59.7763 35.5268 175.4041 86 V 4.6388 8.1666 120.5689 61.3579 33.9177 174.4350 87 L 5.0849 8.9571 127.5895 53.4175 44.7289 174.9022 88 Y 5.1990 8.5366 117.4214 56.5303 41.5247 174.6520 89 Q 4.4875 8.5057 118.3523 54.6823 32.9793 173.5704 90 F 4.8632 8.6377 118.1780 57.5575 39.1225 175.6208 91 K 4.4299 9.3316 123.6577 57.4299 34.3155 176.0232 92 D 4.6541 8.0479 119.0187 52.1400 41.9378 174.3017 93 Y 4.0237 8.4777 126.8071 59.8054 38.9179 177.0265 94 E 3.7614 8.2688 119.3027 59.3445 29.7397 178.8886 95 A 4.0166 8.5685 120.5709 54.8663 18.2555 179.6224 96 A 4.0091 7.6492 119.5926 55.2257 18.4695 179.9524 97 K 3.6192 7.6886 117.2191 59.4411 31.9937 179.3538 98 L 3.9267 7.9712 120.6193 58.1637 42.0260 178.4003 99 Y 4.1489 7.9781 120.9198 60.0382 38.7410 178.0225 100 K 3.9766 8.4515 119.7649 59.4697 32.0658 179.5117 101 K 3.9156 8.1052 118.6243 59.3916 31.8368 179.3516 102 Q 3.8869 8.0890 118.4500 59.1376 28.5999 179.1956 103 L 3.9553 7.7748 119.6835 57.3560 41.5134 179.5257 104 K 3.8958 7.8200 119.9847 59.2090 32.0607 179.1169 105 V 3.5721 7.4757 118.5051 65.8938 31.4721 177.9264 106 E 3.9593 8.1256 118.4390 59.3919 29.2765 179.3753 107 L 4.0529 8.2622 119.4280 57.7195 41.5575 179.3243 108 D 4.3359 8.0864 118.9719 57.3026 40.7780 178.8545 109 R 3.8843 7.9480 118.5806 59.3748 30.0820 179.1345 110 S 3.9597 7.8988 114.7271 61.5221 62.7997 176.6765 111 K 3.8650 8.0853 122.0975 59.3038 31.9198 178.5554 112 K 4.0096 8.2446 119.9592 59.6941 32.2502 178.4420 113 L 4.0110 8.3781 119.4334 58.2391 41.4542 179.8114 114 I 3.8457 7.8027 119.4082 64.0437 37.0621 178.3558 115 E 3.9333 8.3918 119.6977 59.3021 29.3653 179.0086 116 K 3.8522 8.5438 119.7853 59.7573 32.1186 178.5519 117 A 4.1242 7.9483 120.2799 55.1483 18.1485 179.6445 118 L 4.2094 8.3355 117.8790 57.9743 41.4592 179.7335 119 S 4.1681 8.4440 112.5898 61.5403 62.5268 175.6080 120 D 4.5736 8.5547 119.8789 55.8448 40.8050 177.1958 121 N 4.7577 7.9426 113.9770 52.6136 40.0381 174.3757 122 F 4.4080 7.9242 124.5018 57.6283 40.1091 174.4207 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 8 S 8.32 4.43 0.00 3.87 3.88 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 9 T 8.55 3.92 4.25 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 1.21 0.00 0.00 10 G 7.97 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 0.00 0.00 0.00 11 F 7.96 4.88 0.00 2.90 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 12 L 6.66 3.92 0.00 1.28 1.28 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.64 3.72 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 0.73 0.00 0.00 1.06 0.00 0.00 14 K 8.37 4.29 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.46 7.81 15 Q 8.43 3.80 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.14 0.00 16 R 8.13 3.91 0.00 2.01 1.99 0.00 3.48 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 17 A 8.05 4.71 1.49 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 0.00 0.00 18 F 8.44 4.17 0.00 3.19 3.13 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 19 L 8.95 4.31 0.00 1.94 1.79 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.67 3.96 0.00 2.05 1.58 0.00 1.45 0.00 0.00 1.53 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.72 7.81 21 L 8.35 4.14 0.00 1.88 1.96 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.91 3.96 0.00 3.29 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 23 M 8.07 4.09 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.92 0.00 24 I 7.81 4.00 2.15 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 1.72 1.03 1.16 0.00 0.00 25 T 7.92 3.98 4.12 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 1.14 0.00 0.00 26 M 8.29 4.22 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 27 T 7.75 3.99 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 0.34 0.00 0.00 28 E 8.37 4.39 0.00 2.34 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 0.00 2.50 2.97 0.00 29 Q 7.63 4.62 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.63 0.00 30 E 7.98 4.65 0.00 1.94 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 2.26 2.24 0.00 31 R 8.21 4.53 0.00 1.70 1.81 0.00 3.24 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 32 L 8.04 4.76 0.00 1.58 1.36 0.92 0.80 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 33 Y 7.10 5.07 0.00 3.36 3.22 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 34 G 8.69 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.29 3.98 0.00 2.02 1.84 1.03 0.75 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 36 K 7.44 3.67 0.00 0.79 1.36 0.00 1.35 0.00 0.00 1.16 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.94 1.30 7.81 37 L 8.06 3.89 0.00 1.76 1.65 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.01 3.85 0.00 1.59 1.77 0.90 1.01 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 39 E 8.08 3.83 0.00 2.14 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 2.27 2.28 0.00 40 V 7.95 3.53 2.20 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 1.10 0.00 0.00 0.89 0.00 0.00 41 L 8.33 4.05 0.00 1.84 1.66 0.88 0.98 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 42 R 8.10 3.85 0.00 1.93 1.92 0.00 3.06 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 43 S 7.82 4.06 0.00 3.86 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 44 E 8.15 4.01 0.00 1.97 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 2.25 2.43 0.00 45 F 7.90 4.85 0.00 3.10 3.16 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 0.00 0.00 0.00 0.00 46 K 7.64 3.92 0.00 1.88 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 E 8.04 4.11 0.00 1.98 1.98 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 2.31 2.35 0.00 48 I 7.78 3.81 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 1.02 0.00 0.00 49 G 8.18 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 0.00 0.00 0.00 50 F 8.12 4.72 0.00 2.68 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 51 K 8.13 4.23 0.00 1.63 1.58 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.29 7.81 52 P 0.00 4.13 0.00 1.95 1.48 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.32 0.00 53 N 8.10 4.91 0.00 2.96 2.93 0.00 0.00 5.75 7.90 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 54 H 8.52 4.01 0.00 3.26 3.57 0.00 5.45 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 55 T 7.62 4.07 4.20 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 1.11 0.00 0.00 56 E 8.56 3.96 0.00 2.23 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 2.54 2.38 0.00 57 V 7.45 3.53 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 0.77 0.00 0.00 0.81 0.00 0.00 58 Y 7.78 4.35 0.00 3.14 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 59 R 8.36 4.03 0.00 2.06 2.03 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 60 S 8.19 4.11 0.00 4.05 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 61 L 7.93 3.72 0.00 1.94 1.50 0.43 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.70 4.30 0.00 3.28 3.41 0.00 5.62 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 63 E 8.43 3.98 0.00 2.28 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 2.38 0.00 64 L 8.02 4.15 0.00 1.81 1.63 0.81 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.75 4.22 0.00 2.03 1.77 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.00 4.44 0.00 2.82 2.76 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 67 D 8.51 4.59 0.00 2.58 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 68 G 7.76 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 0.00 0.00 0.00 69 I 8.01 4.20 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 1.13 0.00 0.00 70 L 7.91 5.37 0.00 1.59 1.72 0.70 0.49 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 71 K 8.87 4.74 0.00 1.76 1.87 0.00 1.32 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.39 7.81 72 Q 8.59 4.09 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 1.60 2.26 0.00 73 I 8.44 4.34 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.87 0.00 0.00 74 K 8.56 4.38 0.00 1.59 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.33 7.81 75 V 8.75 4.32 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 0.93 0.00 0.00 0.95 0.00 0.00 76 K 8.55 4.75 0.00 1.72 1.64 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.51 7.81 77 K 8.70 4.26 0.00 1.78 1.73 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 78 E 9.44 4.60 0.00 1.83 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 2.23 2.45 0.00 79 G 8.95 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 0.00 0.00 0.00 80 A 8.89 4.13 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 81 K 7.53 4.43 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 82 L 8.15 4.20 0.00 1.62 1.59 0.90 0.73 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 83 Q 8.95 4.50 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 84 E 8.13 4.92 0.00 1.85 1.73 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 2.12 2.10 0.00 85 V 7.34 4.11 1.60 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 -0.40 0.00 0.00 0.77 0.00 0.00 86 V 8.17 4.64 2.14 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 0.62 0.00 0.00 0.88 0.00 0.00 87 L 8.96 5.08 0.00 1.55 1.56 0.97 0.90 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 88 Y 8.54 5.20 0.00 2.71 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 89 Q 8.51 4.49 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 90 F 8.64 4.86 0.00 3.03 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 91 K 9.33 4.43 0.00 1.75 2.00 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.40 7.81 92 D 8.05 4.65 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 93 Y 8.48 4.02 0.00 2.84 2.86 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 0.00 0.00 0.00 94 E 8.27 3.76 0.00 2.18 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 2.42 2.32 0.00 95 A 8.57 4.02 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 96 A 7.65 4.01 1.30 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 0.00 0.00 97 K 7.69 3.62 0.00 1.67 1.67 0.00 1.06 0.00 0.00 1.13 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 0.63 7.81 98 L 7.97 3.93 0.00 1.73 1.81 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.98 4.15 0.00 3.18 3.10 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 0.00 100 K 8.45 3.98 0.00 1.96 1.80 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.56 7.81 101 K 8.11 3.92 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.58 7.81 102 Q 8.09 3.89 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 103 L 7.77 3.96 0.00 1.60 1.61 0.91 0.32 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 0.00 104 K 7.82 3.90 0.00 1.91 1.85 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 105 V 7.48 3.57 2.20 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 0.94 0.00 0.00 0.89 0.00 0.00 106 E 8.13 3.96 0.00 2.11 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 2.30 2.30 0.00 107 L 8.26 4.05 0.00 1.78 1.71 0.85 1.23 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 0.00 108 D 8.09 4.34 0.00 2.69 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 0.00 109 R 7.95 3.88 0.00 1.99 1.95 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 110 S 7.90 3.96 0.00 4.07 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 0.00 111 K 8.09 3.87 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 112 K 8.24 4.01 0.00 2.15 1.79 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 113 L 8.38 4.01 0.00 1.73 1.63 0.78 0.76 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 0.00 114 I 7.80 3.85 1.84 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 1.47 0.69 0.90 0.00 0.00 115 E 8.39 3.93 0.00 2.15 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 2.47 0.00 116 K 8.54 3.85 0.00 1.78 1.99 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.51 7.81 117 A 7.95 4.12 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 0.00 118 L 8.34 4.21 0.00 1.96 1.77 0.89 1.04 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 0.00 119 S 8.44 4.17 0.00 3.85 4.16 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 0.00 0.00 0.00 0.00 120 D 8.55 4.57 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 0.00 121 N 7.94 4.76 0.00 2.22 2.23 0.00 0.00 6.73 8.67 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 0.00 122 F 7.92 4.41 0.00 3.17 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