NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2880 8.3027 121.7415 56.2226 30.9622 173.6126 2 Q 4.5912 8.5211 127.9382 54.5545 29.1353 173.7186 3 L 4.5407 8.6435 127.7319 54.5795 43.7273 176.1410 4 T 4.4452 8.2979 110.7191 60.2383 71.2592 175.9576 5 K 3.5021 8.6603 121.9730 60.0181 32.1018 179.2900 6 C 4.4566 8.0722 115.8069 59.6079 39.4538 175.7513 7 E 3.8780 7.9393 120.8096 59.2073 29.0026 179.4243 8 V 3.4802 7.6085 118.3953 65.7197 31.3234 177.7871 9 F 4.0370 7.9986 119.4956 61.3697 39.2469 177.1511 10 R 4.1088 8.3337 117.5939 59.4749 29.7969 178.9526 11 E 4.0635 8.3575 116.7110 58.3079 29.5446 178.2210 12 L 4.4016 7.4842 118.5026 54.0337 41.7985 177.8473 13 K 3.6318 7.4400 123.1467 59.8835 31.9454 178.3004 14 D 4.4846 7.9606 114.6387 55.8763 40.7701 176.6818 15 L 4.2373 7.8193 119.3678 53.9888 42.5702 176.1473 16 K 3.8561 7.7518 120.7268 57.9452 32.2782 177.1431 17 G 3.9983 9.1057 113.4804 45.8875 0.0000 172.7290 18 Y 4.1398 8.1166 122.1790 58.9474 39.1777 176.3427 19 G 3.7274 8.8408 112.9192 46.1088 0.0000 174.0555 20 G 3.7747 8.4921 106.3582 45.3296 0.0000 173.5994 21 V 4.0490 8.1231 120.9509 60.8309 32.3449 175.9194 22 S 4.6279 8.8344 123.0531 57.7230 65.0336 174.8388 23 L 4.0399 8.5179 124.5993 58.2025 41.8189 177.4008 24 P 4.4926 0.0000 0.0000 66.0231 31.2278 178.3573 25 E 3.8528 7.8490 115.7423 59.0740 29.2308 179.5316 26 W 4.1720 7.8242 118.8850 59.4992 29.0331 178.8093 27 V 3.7003 8.1247 118.4264 66.1082 30.9132 177.3411 28 C 2.4500 7.6560 118.1185 59.2928 41.5100 175.6772 29 T 3.7637 7.8236 117.7779 66.7867 67.9570 176.8348 30 T 4.1506 8.1877 111.8593 64.4684 68.7737 176.4433 31 F 3.5421 7.9284 123.6289 61.3252 39.1735 176.5600 32 H 4.4425 7.6748 110.9531 56.6393 28.2534 176.0850 33 T 4.6040 7.0912 119.3844 64.3185 70.6200 175.4304 34 S 4.4126 8.3508 111.0124 57.5572 66.2660 174.8839 35 G 3.0611 8.6300 109.3049 46.7931 0.0000 174.1521 36 Y 3.8222 7.9158 114.0545 58.1293 35.5068 168.3426 37 D 5.0957 7.8008 121.1709 53.0751 41.1327 177.1959 38 T 4.2075 8.7172 118.0990 63.6499 69.0155 175.6898 39 Q 4.6176 8.6031 120.6092 55.4435 29.3336 175.3143 40 A 4.1773 7.8647 121.7092 52.5327 19.5202 177.4335 41 I 4.8872 8.1884 121.8418 59.6119 40.8624 174.9253 42 V 4.5240 8.5311 126.8847 60.8993 34.9137 174.1378 43 Q 5.5399 8.5956 124.5123 53.5102 30.6733 174.1364 44 N 4.9662 8.5295 121.2528 52.1979 42.3046 173.5528 45 N 4.3069 8.3984 121.0939 54.9377 36.8660 174.9309 46 D 4.9669 8.6794 122.1740 53.6753 40.1804 175.9073 47 S 4.7868 7.7626 111.8435 58.0930 65.8912 171.9490 48 T 4.9900 9.2306 120.8948 60.3829 70.2540 172.1726 49 E 5.1513 9.6825 129.2809 55.0837 32.3066 174.4890 50 Y 5.0208 8.7518 120.6286 57.3758 41.6966 177.5921 51 G 4.2039 8.9173 112.4008 44.3656 0.0000 173.3856 52 L 3.8647 8.5982 118.6400 57.0003 41.7320 178.2715 53 F 4.7466 8.1978 113.4361 56.6564 40.1403 175.2002 54 Q 3.5493 7.9986 119.2663 56.9663 26.4876 174.2176 55 I 4.1916 8.1349 119.2613 60.1785 38.2132 176.6196 56 N 5.3257 9.6647 124.3410 53.0762 37.9397 174.8491 57 N 5.4355 8.4015 115.0181 52.1408 37.7995 176.2167 58 K 4.2097 8.8443 123.1709 59.2717 32.6910 177.6469 59 I 4.4133 7.3948 107.3550 60.0454 40.2104 176.6870 60 W 4.5819 8.0961 121.5616 58.7406 29.7348 174.7264 61 C 5.7964 7.9805 111.4094 53.4177 46.2396 172.8522 62 K 4.7973 8.5800 119.7853 56.0738 34.5279 175.5074 63 D 4.8212 8.0421 120.4137 53.1227 41.7479 174.0776 64 D 4.4490 9.0075 117.0093 58.1254 41.1266 177.5054 65 Q 4.1209 8.2468 118.2165 58.7760 27.9129 176.0376 66 N 4.9537 8.6837 115.9956 50.6172 39.0874 172.3430 67 P 4.5114 0.0000 0.0000 65.2604 32.0144 176.5208 68 H 4.7089 7.3269 112.6740 56.0838 28.8724 175.5321 69 S 4.4389 7.8309 112.9652 57.4664 63.2958 173.7298 70 S 3.9879 8.5593 120.1251 59.5520 63.0499 173.6236 71 N 4.2027 8.0384 118.0148 54.4801 37.3870 175.1309 72 I 3.7410 8.2416 119.5097 64.5979 37.7751 177.3328 73 C 4.5124 8.8289 115.8289 56.6143 40.9138 172.7534 74 N 4.0184 7.9404 117.9037 53.3519 37.3878 172.8084 75 I 4.2364 8.1134 117.5872 59.9232 42.2060 172.9874 76 S 4.6206 8.1341 120.2397 57.7428 63.2409 175.6931 77 C 3.7379 8.5956 125.4511 60.0174 34.6284 176.1463 78 D 4.3318 7.7885 119.8781 56.0945 38.5478 178.1763 79 K 4.1673 7.5934 118.2951 57.8289 31.8833 177.2542 80 F 5.4147 8.0718 117.8679 56.8179 39.0865 176.6554 81 L 5.2425 8.1781 118.9387 53.7128 42.3601 176.0005 82 D 4.8553 7.7740 118.8222 51.9854 41.5482 175.6459 83 D 4.4135 8.4999 117.2225 55.7954 41.1431 176.1240 84 D 4.6171 7.6056 118.0369 53.1924 40.8082 176.1785 85 L 4.8102 8.2681 127.5650 54.6842 41.9407 178.6689 86 T 3.8203 7.9653 117.9198 66.8630 68.4635 176.1652 87 D 4.4458 8.0849 120.3394 56.2181 39.4386 178.1041 88 D 4.2470 8.1806 119.9906 57.4631 40.9597 178.5863 89 I 3.1226 7.9328 120.5406 64.3871 36.8602 178.4450 90 M 3.8793 7.7894 119.2716 58.4547 31.7667 178.0210 91 C 4.2205 8.1050 118.7014 59.4548 42.8195 175.6618 92 V 3.2068 7.4751 120.2526 65.8100 30.8505 178.1795 93 K 3.7353 7.6259 118.1428 59.2838 31.8932 179.5191 94 K 4.0279 7.6964 118.9575 59.3360 31.8332 179.5556 95 I 3.0842 7.3264 120.1618 64.0306 36.6232 178.4624 96 L 4.1659 8.2878 120.1930 58.1071 41.3097 179.3619 97 D 4.4459 8.3439 117.6860 56.6861 40.7395 178.3409 98 K 4.3865 7.7929 117.3704 58.4111 33.0538 178.6847 99 V 4.3372 8.2320 109.6317 59.9481 33.0932 177.0212 100 G 4.1034 8.0007 105.2827 45.3708 0.0000 174.0164 101 I 4.0346 8.2393 117.4892 63.8836 37.8532 176.8022 102 N 4.7252 8.2053 114.9740 54.4878 38.4597 175.1360 103 Y 3.9718 7.9985 120.3458 59.9334 38.9800 176.1049 104 W 4.3761 8.2986 121.4612 54.6924 28.2754 176.0351 105 L 3.9272 8.3896 125.5862 58.3476 41.2895 178.3204 106 A 4.1296 8.1149 119.9285 54.9067 18.2774 178.5921 107 H 3.8995 8.5742 117.6281 59.4284 29.6686 177.1576 108 K 3.8040 8.0116 119.2052 59.5715 32.2365 178.0844 109 A 4.1831 7.3707 118.3428 54.5621 18.4533 178.0409 110 L 4.7726 8.2578 112.6254 54.2416 43.9578 176.2559 111 C 5.0083 8.3652 116.9209 56.9957 40.7891 174.6835 112 S 4.3580 8.1702 114.3160 58.2541 64.3634 173.8216 113 E 4.7131 7.5103 118.0155 54.7401 33.5075 175.1355 114 K 3.8327 8.4360 117.0154 57.6056 29.0779 174.6062 115 L 4.9185 7.5723 119.1683 55.3521 43.8948 178.8667 116 D 4.5077 8.2217 118.7640 57.0948 40.9566 178.4751 117 Q 3.8522 8.0320 116.1358 58.5746 28.4762 177.0320 118 W 4.7191 8.0206 116.7882 56.5914 29.0242 176.1272 119 L 4.4273 7.6059 119.4026 53.9375 42.3342 174.7663 120 C 4.8486 7.2184 118.6107 55.7092 43.9570 174.0419 121 E 4.6379 8.0230 117.9287 55.6757 33.1497 176.4835 122 K 4.3272 8.6830 121.2878 54.8474 31.5748 176.1871 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 E 8.30 4.29 0.00 2.14 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 2.50 2.41 0.00 2 Q 8.52 4.59 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 3 L 8.64 4.54 0.00 1.52 1.51 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.30 4.45 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 1.27 0.00 0.00 5 K 8.66 3.50 0.00 1.96 1.87 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.86 7.81 6 C 8.07 4.46 0.00 2.98 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 7 E 7.94 3.88 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 2.32 2.29 0.00 8 V 7.61 3.48 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 0.92 0.00 0.00 0.43 0.00 0.00 9 F 8.00 4.04 0.00 3.20 3.27 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 10 R 8.33 4.11 0.00 2.07 1.99 0.00 3.28 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 1.75 1.92 0.00 11 E 8.36 4.06 0.00 1.92 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 2.33 2.54 0.00 12 L 7.48 4.40 0.00 1.57 1.46 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.44 3.63 0.00 1.84 1.76 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 14 D 7.96 4.48 0.00 2.55 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 15 L 7.82 4.24 0.00 1.43 1.20 -0.39 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.75 3.86 0.00 1.71 1.79 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.42 7.81 17 G 9.11 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 18 Y 8.12 4.14 0.00 3.09 2.98 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 0.00 0.00 0.00 19 G 8.84 3.73 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 0.00 0.00 0.00 20 G 8.49 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 0.00 0.00 0.00 21 V 8.12 4.05 2.26 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 0.03 0.00 0.00 0.77 0.00 0.00 22 S 8.83 4.63 0.00 4.14 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 23 L 8.52 4.04 0.00 1.69 1.66 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.49 0.00 2.32 2.48 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 25 E 7.85 3.85 0.00 2.09 1.69 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 2.51 2.31 0.00 26 W 7.82 4.17 0.00 3.51 3.11 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 27 V 8.12 3.70 2.41 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 1.32 0.00 0.00 1.23 0.00 0.00 28 C 7.66 2.45 0.00 1.23 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 29 T 7.82 3.76 4.10 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 1.08 0.00 0.00 30 T 8.19 4.15 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 0.94 0.00 0.00 31 F 7.93 3.54 0.00 2.61 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 32 H 7.67 4.44 0.00 3.13 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.09 4.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 34 S 8.35 4.41 0.00 3.94 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 35 G 8.63 3.06 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 36 Y 7.92 3.82 0.00 3.33 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 37 D 7.80 5.10 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 38 T 8.72 4.21 4.30 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 1.23 0.00 0.00 39 Q 8.60 4.62 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 40 A 7.86 4.18 1.35 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 0.00 0.00 41 I 8.19 4.89 1.79 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.92 0.62 0.00 0.00 42 V 8.53 4.52 2.22 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 0.97 0.00 0.00 0.93 0.00 0.00 43 Q 8.60 5.54 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.46 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 44 N 8.53 4.97 0.00 2.71 2.71 0.00 0.00 7.13 6.92 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 45 N 8.40 4.31 0.00 2.86 2.16 0.00 0.00 7.06 8.06 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 46 D 8.68 4.97 0.00 2.78 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 47 S 7.76 4.79 0.00 3.89 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 48 T 9.23 4.99 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 1.54 0.00 0.00 49 E 9.68 5.15 0.00 2.05 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 2.37 2.33 0.00 50 Y 8.75 5.02 0.00 3.14 3.06 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 51 G 8.92 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 0.00 0.00 0.00 0.00 52 L 8.60 3.86 0.00 1.51 1.50 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.20 4.75 0.00 3.09 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.55 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 55 I 8.13 4.19 1.78 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.05 1.00 0.00 0.00 56 N 9.66 5.33 0.00 3.11 3.18 0.00 0.00 6.20 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 57 N 8.40 5.44 0.00 2.98 3.19 0.00 0.00 6.87 7.23 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 58 K 8.84 4.21 0.00 1.83 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.38 7.81 59 I 7.39 4.41 1.36 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.67 0.00 0.00 60 W 8.10 4.58 0.00 3.74 3.28 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 61 C 7.98 5.80 0.00 3.18 3.33 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 62 K 8.58 4.80 0.00 1.87 1.94 0.00 1.25 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.32 7.81 63 D 8.04 4.82 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.01 4.45 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.12 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 66 N 8.68 4.95 0.00 2.75 2.64 0.00 0.00 7.11 8.09 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 67 P 0.00 4.51 0.00 2.07 2.11 0.00 3.66 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 2.00 2.21 0.00 68 H 7.33 4.71 0.00 3.07 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.83 4.44 0.00 4.04 3.75 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 70 S 8.56 3.99 0.00 3.74 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 71 N 8.04 4.20 0.00 2.97 2.73 0.00 0.00 7.11 7.38 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 72 I 8.24 3.74 1.99 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 1.12 0.00 0.00 73 C 8.83 4.51 0.00 3.37 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 74 N 7.94 4.02 0.00 2.80 2.79 0.00 0.00 6.86 7.48 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 75 I 8.11 4.24 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.76 0.66 0.00 0.00 76 S 8.13 4.62 0.00 3.78 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 77 C 8.60 3.74 0.00 2.20 1.67 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 78 D 7.79 4.33 0.00 2.85 2.90 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 0.00 0.00 0.00 79 K 7.59 4.17 0.00 1.39 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.45 7.81 80 F 8.07 5.41 0.00 3.30 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 81 L 8.18 5.24 0.00 1.86 1.78 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.77 4.86 0.00 2.79 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 83 D 8.50 4.41 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.61 4.62 0.00 2.67 2.62 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 85 L 8.27 4.81 0.00 1.75 1.75 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.97 3.82 4.35 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 1.18 0.00 0.00 87 D 8.08 4.45 0.00 3.01 2.94 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 88 D 8.18 4.25 0.00 3.00 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 I 7.93 3.12 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.58 0.00 0.00 90 M 7.79 3.88 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 91 C 8.10 4.22 0.00 3.18 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 92 V 7.48 3.21 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 0.26 0.00 0.00 -0.44 0.00 0.00 93 K 7.63 3.74 0.00 1.74 1.48 0.00 1.31 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 1.02 7.81 94 K 7.70 4.03 0.00 1.87 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.61 7.81 95 I 7.33 3.08 1.70 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 -0.05 0.00 0.00 96 L 8.29 4.17 0.00 2.07 1.96 1.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.34 4.45 0.00 2.87 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 98 K 7.79 4.39 0.00 2.10 2.04 0.00 2.11 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.63 7.81 99 V 8.23 4.34 2.25 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 1.05 0.00 0.00 1.13 0.00 0.00 100 G 8.00 4.10 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 0.00 0.00 0.00 101 I 8.24 4.03 1.77 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.97 0.85 0.00 0.00 102 N 8.21 4.73 0.00 2.82 2.90 0.00 0.00 6.87 7.46 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 0.00 103 Y 8.00 3.97 0.00 2.64 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 0.00 0.00 0.00 104 W 8.30 4.38 0.00 3.79 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 0.00 105 L 8.39 3.93 0.00 1.68 1.68 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.11 4.13 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 0.00 107 H 8.57 3.90 0.00 3.11 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.01 3.80 0.00 1.82 1.84 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 109 A 7.37 4.18 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 0.00 110 L 8.26 4.77 0.00 1.44 1.57 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.37 5.01 0.00 2.77 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 0.00 112 S 8.17 4.36 0.00 3.74 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 0.00 113 E 7.51 4.71 0.00 1.91 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 2.20 2.30 0.00 114 K 8.44 3.83 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 115 L 7.57 4.92 0.00 1.76 1.85 1.10 1.12 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 0.00 116 D 8.22 4.51 0.00 2.71 2.72 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 0.00 117 Q 8.03 3.85 0.00 1.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.32 0.00 0.00 0.00 0.00 0.00 2.16 1.16 0.00 118 W 8.02 4.72 0.00 3.49 3.33 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 0.00 119 L 7.61 4.43 0.00 1.69 1.46 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.22 4.85 0.00 1.89 2.62 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 0.00 121 E 8.02 4.64 0.00 1.93 1.65 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 0.00 2.11 1.83 0.00 122 K 8.68 4.33 0.00 1.96 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.23 0.99 7.81