NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8015 8.4449 117.8392 56.2606 29.9860 172.9068 1D H 4.5521 8.7162 118.3332 55.7519 29.6752 172.9505 1E H 5.0620 7.5547 115.4764 53.7556 33.6192 171.9805 1F H 4.6578 8.8918 117.0749 55.9022 29.0099 174.3506 1G F 4.9374 8.3878 119.3310 57.8892 39.8748 173.9717 2 N 4.6390 8.5502 117.0139 52.3952 39.1666 174.4777 3 L 4.7961 8.0694 123.1074 51.9802 44.1072 174.6298 4 P 4.4660 0.0000 0.0000 61.7388 32.2201 174.2772 5 P 4.3990 0.0000 0.0000 62.1286 33.1107 175.8721 6 G 3.9239 9.1857 105.1976 45.4731 0.0000 171.2877 7 N 4.2361 7.7740 113.3089 52.0966 39.2888 174.5398 8 Y 4.8471 8.0511 119.0273 58.3395 38.6910 176.7718 9 K 4.1496 8.6809 122.6833 58.6727 32.2136 177.1385 10 K 4.7313 7.5991 115.3149 53.2763 35.7589 173.6270 11 P 4.7492 0.0000 0.0000 63.1107 32.4101 175.1261 12 K 4.9044 9.5280 119.3510 55.1333 37.4709 174.9846 13 L 5.1027 9.0440 121.2470 53.2534 44.5158 176.1647 14 L 5.0797 8.6588 122.8974 53.6330 42.9755 174.3917 15 Y 5.0382 9.3081 126.7985 56.2333 40.9330 173.6987 16 C 4.5417 8.1079 127.4744 56.6873 32.7550 174.6546 17 S 3.8948 8.2832 122.8241 60.4033 62.9731 175.0692 18 N 4.1941 7.9642 118.9136 56.1782 38.3717 175.4675 19 G 3.9016 7.7126 101.9902 44.4222 0.0000 172.2692 20 G 3.4268 7.7136 107.0566 44.8345 0.0000 173.1539 21 H 5.0304 7.2504 114.1656 53.5926 33.0428 174.0852 22 F 5.3357 9.0324 120.1809 56.1084 40.6473 175.2115 23 L 4.5487 9.0229 125.5589 55.2555 43.3357 175.6163 24 R 4.9456 9.2958 126.1845 54.6331 33.5784 173.8037 25 I 4.7077 8.2526 127.1741 59.4100 38.5708 175.7457 26 L 4.0717 8.7852 128.1445 53.4735 42.2550 176.8542 27 P 4.1445 0.0000 0.0000 65.8138 31.3125 177.0503 28 D 4.6100 8.0171 115.0768 53.2974 39.4243 177.2710 29 G 4.1146 8.6207 109.8642 45.6130 0.0000 174.2822 30 T 4.3280 8.0567 117.1055 63.3172 69.1125 173.6682 31 V 4.8612 8.0577 123.6628 61.2261 34.7159 174.4617 32 D 4.5766 8.6619 125.6504 52.8571 42.5018 174.0280 33 G 4.5812 8.5315 104.7535 45.3936 0.0000 172.5107 34 T 4.9887 8.8575 114.8106 60.5594 71.1461 174.5538 35 R 4.3228 8.8363 124.2600 56.3563 30.9673 176.4466 36 D 4.6269 8.2510 119.5374 53.2300 40.0503 176.6156 37 R 3.5871 8.6258 127.8489 58.4299 30.2721 177.2963 38 S 4.3700 8.2623 110.7415 58.5680 63.6048 174.0383 39 D 4.3733 7.8047 121.8215 54.9850 41.2666 175.9174 40 Q 4.3180 8.4957 123.3409 56.9070 29.3279 175.9019 41 H 4.8812 9.2254 115.7160 55.4799 29.1754 175.2017 42 I 4.5230 7.4974 110.8925 59.9585 38.5053 175.2418 43 Q 4.2669 7.7605 122.0549 55.6615 29.6617 174.7368 44 L 5.2433 9.0209 124.5300 52.7670 45.6882 175.3350 45 Q 4.7684 9.2121 123.8502 54.4527 31.1971 174.4046 46 L 5.6077 8.8921 126.2123 53.0191 44.0595 176.0552 47 S 4.3517 8.0534 114.2902 56.7636 66.7110 172.4101 48 A 4.6178 7.9541 123.8867 51.2005 19.0453 177.0307 49 E 4.0957 8.8792 122.9844 58.0355 30.4872 176.5784 50 S 4.6338 7.3455 112.3271 56.3820 67.2145 173.1898 51 V 3.7900 8.2694 121.9752 64.5798 31.5769 176.3704 52 G 3.9374 9.2393 115.0635 45.2053 0.0000 171.7229 53 E 5.1777 8.4053 120.1653 54.5828 32.2702 175.6647 54 V 4.8808 9.0919 116.9457 59.8831 36.7514 173.9904 55 Y 5.5975 8.4817 119.4706 56.7094 40.9437 175.2212 56 I 4.4992 8.5489 122.4785 59.5614 40.3332 174.2038 57 K 4.7749 8.7560 128.8891 53.9794 35.5196 175.0955 58 S 4.4334 8.8600 122.6606 58.6029 62.5796 174.9724 59 T 3.8425 8.5514 118.6286 64.4349 68.7305 175.8266 60 E 4.1042 8.3271 122.6423 58.0936 29.9246 176.8679 61 T 4.3808 8.0127 106.1078 60.4883 70.3653 175.1904 62 G 3.8307 8.3016 110.0768 45.2372 0.0000 173.7699 63 Q 4.4091 7.6305 118.6364 56.0968 30.3079 174.6262 64 Y 4.6070 8.8202 119.8701 56.1223 40.4207 175.1237 65 L 4.4070 8.9583 126.1993 55.2662 43.4700 175.5325 66 A 5.1140 8.6705 125.8807 50.7374 23.2027 174.3481 67 M 5.3421 8.6719 119.9516 53.7462 34.4912 175.7996 68 D 5.0912 9.5164 126.6370 52.6489 40.8818 176.9899 69 T 3.9987 8.5810 113.0478 64.7816 67.2530 174.0047 70 D 4.7816 8.5119 118.9311 53.9381 41.2101 176.9461 71 G 3.3941 8.6642 107.8642 45.3798 0.0000 173.2386 72 L 4.7579 8.2680 120.2929 53.1149 42.9511 175.9987 73 L 5.0655 8.3722 123.1337 55.0595 42.6734 175.6373 74 Y 5.0235 9.0877 120.2938 55.8718 42.1745 173.5528 75 G 4.3188 8.8998 108.2857 45.0653 0.0000 173.1471 76 S 5.1145 9.0322 120.7336 56.6895 64.1491 175.3019 77 Q 4.1489 9.0307 125.5246 58.1361 28.9743 176.3872 78 T 4.6516 7.4709 106.0846 58.4905 71.8044 171.6133 79 P 3.5035 0.0000 0.0000 62.3197 32.0844 175.1913 80 N 4.9407 7.9230 117.4876 51.3629 40.3558 174.5663 81 E 3.9411 8.7352 116.6404 59.5409 29.6391 178.1334 82 E 4.1894 8.6472 116.7216 57.3442 29.6911 177.3371 83 C 5.0188 7.8764 115.3642 58.8731 29.1107 173.3334 84 L 4.8070 7.3635 121.1032 53.6230 43.0862 175.6087 85 F 5.1586 9.0318 121.3100 55.6089 43.6076 174.2459 86 L 4.9137 9.1466 122.7009 53.7717 42.7059 175.3461 87 E 4.6066 8.8717 126.7132 55.1419 30.3423 175.6064 88 R 4.8041 8.5640 125.0995 54.0968 34.9140 174.4405 89 L 4.7537 8.6869 123.4940 55.1350 43.1259 175.7317 90 E 4.7293 9.2036 124.6336 55.2211 33.7120 174.7330 91 E 4.0060 9.8879 123.8371 58.0453 27.8464 174.3695 92 N 4.3084 8.4243 110.1173 54.0299 36.6722 173.9652 93 H 4.7574 8.1146 116.9535 57.3215 37.2568 173.2574 94 Y 4.6659 8.1379 116.9340 57.2789 40.2347 173.8849 95 N 5.5564 9.6124 118.3154 51.9787 41.0937 174.6551 96 T 5.2934 8.7763 112.8863 60.1517 72.9818 172.7017 97 Y 4.9956 8.5926 118.6596 56.6435 41.7219 174.2050 98 I 4.5497 8.5430 126.0451 59.2577 39.4864 175.4482 99 S 4.0248 9.0867 122.5141 58.4951 62.2408 173.9303 100 K 3.9612 8.7746 129.6819 59.3539 32.2979 178.6408 101 K 3.7745 7.9474 118.3393 59.0950 32.3019 176.8492 102 H 4.5493 7.7648 115.3555 55.0398 29.4710 176.5757 103 A 3.9727 7.6711 125.4167 55.0763 18.3613 180.5367 104 E 3.7452 7.8782 112.1595 58.1104 29.7699 177.5181 105 K 4.2124 7.5449 117.7245 55.3681 32.9304 175.6584 106 N 3.9379 7.6398 115.6825 54.0422 36.5642 174.8586 107 W 5.1542 7.6877 117.5409 55.7046 31.0932 177.4476 108 F 5.3968 9.1848 123.9696 55.5757 41.0887 175.7837 109 V 3.9981 8.9899 121.5071 63.0038 32.4254 175.2103 110 G 4.4675 8.6209 112.8066 45.2312 0.0000 171.4317 111 L 5.3615 8.3146 122.1581 52.5375 44.6152 176.8187 112 N 4.6464 9.0419 121.8454 51.5177 38.6959 176.1514 113 K 3.8107 8.4259 116.8027 59.2957 32.0290 178.1985 114 A 4.1173 7.9930 119.2217 52.6460 18.8741 177.9469 115 G 3.4425 8.4810 105.1002 45.1801 0.0000 173.3089 116 S 4.9406 8.0567 115.5999 56.5343 64.6463 173.6024 117 C 4.8028 8.3429 120.9393 59.9855 28.6041 173.4876 118 K 4.4060 8.6449 122.0787 55.4842 33.2401 176.7462 119 R 4.0377 8.4624 123.3998 55.9142 31.2656 177.1084 120 G 3.2574 8.5611 116.1342 48.2424 0.0000 174.1827 121 P 4.2436 0.0000 0.0000 64.4311 31.3667 177.4743 122 R 4.2831 7.9025 115.9909 56.4438 30.2946 176.1818 123 T 5.1628 7.4347 108.1517 59.6413 71.0453 173.1965 124 H 4.7358 7.8785 115.2523 55.0272 30.4353 173.1139 125 Y 3.9822 8.8540 118.2074 60.0399 38.0629 177.3607 126 G 4.0393 9.0118 111.4574 45.3952 0.0000 173.9455 127 Q 4.1823 7.3633 118.9854 55.3444 29.7254 177.2504 128 K 3.8240 8.3068 119.1775 58.7337 32.7757 179.4572 129 A 3.9166 7.7518 121.6658 54.3481 18.3886 178.4017 130 I 4.3789 7.1660 106.2802 60.3500 38.1325 175.2334 131 L 4.3936 7.1906 122.8012 53.8020 42.7552 175.6724 132 F 5.1702 9.2747 122.5879 55.5594 43.0577 174.3481 133 L 5.2870 9.1849 121.6014 52.3184 44.6993 173.9773 134 P 5.0606 0.0000 0.0000 62.6552 32.1573 175.6521 135 L 4.9411 9.2090 124.6110 51.9178 45.1120 174.4049 136 P 4.6670 0.0000 0.0000 62.4846 32.3375 177.1703 137 V 3.7452 8.1736 114.4913 61.7902 31.6092 176.3270 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 1C H 8.44 4.80 0.00 3.11 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.72 4.55 0.00 3.19 3.19 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.55 5.06 0.00 3.16 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.89 4.66 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.39 4.94 0.00 2.88 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 2 N 8.55 4.64 0.00 2.96 2.78 0.00 0.00 6.86 6.74 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 3 L 8.07 4.80 0.00 1.47 1.40 0.57 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.16 2.13 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 5 P 0.00 4.40 0.00 2.16 2.10 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 6 G 9.19 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.77 4.24 0.00 2.59 2.63 0.00 0.00 5.81 7.55 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 8 Y 8.05 4.85 0.00 3.02 3.20 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 9 K 8.68 4.15 0.00 1.88 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 K 7.60 4.73 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.75 0.00 2.06 2.05 0.00 3.72 0.00 0.00 3.66 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 12 K 9.53 4.90 0.00 1.64 1.83 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.61 7.81 13 L 9.04 5.10 0.00 1.67 1.63 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.66 5.08 0.00 1.55 1.57 0.33 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.31 5.04 0.00 3.25 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 16 C 8.11 4.54 0.00 2.27 2.36 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 17 S 8.28 3.89 0.00 3.76 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 18 N 7.96 4.19 0.00 2.57 2.64 0.00 0.00 6.74 7.98 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 19 G 7.71 3.90 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 0.00 0.00 0.00 20 G 7.71 3.43 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 0.00 21 H 7.25 5.03 0.00 2.99 3.20 0.00 5.80 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 22 F 9.03 5.34 0.00 3.08 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 23 L 9.02 4.55 0.00 1.79 1.50 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.30 4.95 0.00 1.93 2.05 0.00 3.31 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 25 I 8.25 4.71 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.88 0.00 0.00 26 L 8.79 4.07 0.00 1.78 1.52 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.14 0.00 1.99 2.11 0.00 3.51 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 28 D 8.02 4.61 0.00 2.76 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 29 G 8.62 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 0.00 0.00 0.00 30 T 8.06 4.33 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 1.22 0.00 0.00 31 V 8.06 4.86 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 0.88 0.00 0.00 0.94 0.00 0.00 32 D 8.66 4.58 0.00 2.86 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 33 G 8.53 4.58 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 0.00 0.00 0.00 34 T 8.86 4.99 4.34 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 1.39 0.00 0.00 35 R 8.84 4.32 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 36 D 8.25 4.63 0.00 2.84 2.67 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 37 R 8.63 3.59 0.00 1.91 1.91 0.00 3.35 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.54 0.00 38 S 8.26 4.37 0.00 3.99 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 39 D 7.80 4.37 0.00 2.79 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 40 Q 8.50 4.32 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.23 4.88 0.00 3.31 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.50 4.52 1.87 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 1.51 1.11 1.05 0.00 0.00 43 Q 7.76 4.27 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 9.02 5.24 0.00 1.57 1.42 0.80 0.52 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 45 Q 9.21 4.77 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.89 5.61 0.00 1.80 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.05 4.35 0.00 3.79 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 48 A 7.95 4.62 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 49 E 8.88 4.10 0.00 1.66 1.78 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 1.47 1.47 0.00 50 S 7.35 4.63 0.00 3.95 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 51 V 8.27 3.79 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 0.92 0.00 0.00 1.02 0.00 0.00 52 G 9.24 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 0.00 0.00 0.00 53 E 8.41 5.18 0.00 2.06 1.76 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 2.22 2.28 0.00 54 V 9.09 4.88 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 0.80 0.00 0.00 1.26 0.00 0.00 55 Y 8.48 5.60 0.00 2.99 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 56 I 8.55 4.50 1.70 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.65 0.66 0.00 0.00 57 K 8.76 4.77 0.00 1.19 1.50 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.04 1.11 7.81 58 S 8.86 4.43 0.00 3.84 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 59 T 8.55 3.84 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 1.21 0.00 0.00 60 E 8.33 4.10 0.00 1.99 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 2.26 2.37 0.00 61 T 8.01 4.38 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 1.23 0.00 0.00 62 G 8.30 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 0.00 0.00 0.00 63 Q 7.63 4.41 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 64 Y 8.82 4.61 0.00 2.79 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 65 L 8.96 4.41 0.00 1.59 1.47 0.80 0.21 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 66 A 8.67 5.11 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 5.34 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 68 D 9.52 5.09 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 69 T 8.58 4.00 4.34 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 1.27 0.00 0.00 70 D 8.51 4.78 0.00 2.70 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 71 G 8.66 3.39 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 0.00 72 L 8.27 4.76 0.00 1.96 1.63 0.91 0.88 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 73 L 8.37 5.07 0.00 1.57 1.62 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.09 5.02 0.00 2.96 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 75 G 8.90 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 76 S 9.03 5.11 0.00 3.79 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 77 Q 9.03 4.15 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.47 4.65 4.14 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 1.20 0.00 0.00 79 P 0.00 3.50 0.00 1.58 0.49 0.00 3.47 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 80 N 7.92 4.94 0.00 2.89 2.89 0.00 0.00 6.27 7.66 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 81 E 8.74 3.94 0.00 1.95 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 2.29 2.32 0.00 82 E 8.65 4.19 0.00 2.25 2.31 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 2.38 2.34 0.00 83 C 7.88 5.02 0.00 3.08 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 84 L 7.36 4.81 0.00 1.47 1.46 0.84 0.61 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 85 F 9.03 5.16 0.00 3.12 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 86 L 9.15 4.91 0.00 1.52 1.61 0.90 0.78 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 87 E 8.87 4.61 0.00 2.15 1.92 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 0.00 2.18 1.90 0.00 88 R 8.56 4.80 0.00 1.78 1.80 0.00 3.17 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 89 L 8.69 4.75 0.00 1.60 1.60 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.20 4.73 0.00 2.21 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 2.29 2.43 0.00 91 E 9.89 4.01 0.00 2.40 2.16 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 2.33 2.35 0.00 92 N 8.42 4.31 0.00 2.83 2.88 0.00 0.00 6.89 8.16 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 93 H 8.11 4.76 0.00 2.85 2.90 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.14 4.67 0.00 3.05 3.01 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 95 N 9.61 5.56 0.00 3.02 2.64 0.00 0.00 6.95 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 96 T 8.78 5.29 4.54 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 1.37 0.00 0.00 97 Y 8.59 5.00 0.00 2.81 2.80 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 98 I 8.54 4.55 1.67 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 0.60 0.00 0.00 99 S 9.09 4.02 0.00 4.03 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 0.00 100 K 8.77 3.96 0.00 1.73 1.68 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 K 7.95 3.77 0.00 1.58 1.64 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 0.96 7.81 102 H 7.76 4.55 0.00 2.97 2.14 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.67 3.97 1.34 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 0.00 0.00 104 E 7.88 3.75 0.00 1.76 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 2.09 2.13 0.00 105 K 7.54 4.21 0.00 0.94 1.60 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.98 7.81 106 N 7.64 3.94 0.00 3.04 3.07 0.00 0.00 6.86 7.28 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 0.00 107 W 7.69 5.15 0.00 3.28 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 0.00 108 F 9.18 5.40 0.00 2.87 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 0.00 109 V 8.99 4.00 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 0.63 0.00 0.00 0.51 0.00 0.00 110 G 8.62 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 5.36 0.00 1.41 1.48 1.04 1.06 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 0.00 112 N 9.04 4.65 0.00 2.86 2.91 0.00 0.00 6.65 7.14 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 0.00 113 K 8.43 3.81 0.00 1.73 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.38 7.81 114 A 7.99 4.12 1.25 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 0.00 0.00 115 G 8.48 3.44 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 0.00 116 S 8.06 4.94 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 0.00 117 C 8.34 4.80 0.00 2.86 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 0.00 118 K 8.64 4.41 0.00 1.61 1.68 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.34 7.81 119 R 8.46 4.04 0.00 1.78 1.61 0.00 3.21 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 120 G 8.56 3.26 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 0.00 121 P 0.00 4.24 0.00 1.91 2.16 0.00 2.94 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 1.74 1.86 0.00 122 R 7.90 4.28 0.00 1.82 1.92 0.00 3.28 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.43 5.16 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 1.24 0.00 0.00 124 H 7.88 4.74 0.00 3.41 3.53 0.00 5.48 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 0.00 125 Y 8.85 3.98 0.00 3.16 2.96 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 0.00 126 G 9.01 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 0.00 0.00 0.00 127 Q 7.36 4.18 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 128 K 8.31 3.82 0.00 1.77 1.64 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 7.75 3.92 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 0.00 130 I 7.17 4.38 1.56 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.51 0.00 0.00 131 L 7.19 4.39 0.00 0.94 0.60 0.32 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.27 5.17 0.00 3.42 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 0.00 133 L 9.18 5.29 0.00 1.84 1.68 1.09 1.01 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 0.00 134 P 0.00 5.06 0.00 2.16 2.21 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 135 L 9.21 4.94 0.00 1.65 1.63 0.95 0.92 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 0.00 136 P 0.00 4.67 0.00 1.92 1.97 0.00 3.68 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 2.02 2.12 0.00 137 V 8.17 3.75 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 0.66 0.00 0.00 0.96 0.00 0.00