NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3790 8.3001 120.3270 55.4450 33.2451 176.7000 2 A 4.1368 8.9921 127.7223 52.0802 18.8286 176.3637 3 D 4.7583 8.3566 123.0580 53.2954 43.6961 175.9656 4 K 4.0354 8.5031 118.4019 57.6014 32.0341 176.9716 5 E 3.6947 8.2547 117.9899 56.2010 28.0518 173.9210 6 L 3.8202 8.0961 118.2355 54.9860 42.1394 175.5508 7 K 4.6379 8.1799 128.2796 55.5549 33.7969 175.4588 8 F 4.9415 9.6521 126.7857 57.0337 40.6093 174.2469 9 L 5.2027 9.1130 124.9473 53.6260 44.6210 175.5708 10 V 4.5871 8.8114 124.7387 61.5999 34.1571 173.5654 11 V 4.4287 8.7978 129.8735 61.1338 31.3243 174.3200 12 D 5.0091 8.1523 125.6025 52.2479 42.6689 175.2986 13 D 4.4422 8.2339 118.2247 56.1664 41.5021 175.7868 14 F 5.0628 8.9015 121.4030 55.6096 41.6217 174.9068 15 S 4.0573 9.0297 125.1920 62.3325 62.5377 176.6650 16 T 3.5213 6.8327 117.4559 66.7694 67.8842 175.8367 17 M 4.0460 7.7087 119.9567 58.7057 32.1888 178.2790 18 R 3.9107 7.8612 118.8010 59.3235 30.1881 178.7197 19 R 3.8483 7.7860 117.3645 59.3059 30.0782 178.6421 20 I 3.5863 7.9884 119.8577 64.4229 37.1120 178.4475 21 V 3.6866 8.2321 119.0828 66.1554 31.3393 177.8247 22 R 3.7128 8.0428 118.3533 59.5458 29.8181 177.9115 23 N 4.2424 8.4850 116.9291 56.7330 38.9889 176.7982 24 L 4.0165 8.2287 120.7437 57.8256 41.6538 179.4861 25 L 4.0324 8.3003 119.3407 57.7994 41.2387 179.8000 26 K 4.2335 8.0017 117.7715 59.2918 32.0266 178.9079 27 E 4.1170 8.3066 118.7017 59.3266 29.4372 179.1735 28 L 4.2845 8.0852 117.9788 56.6681 41.9426 178.8273 29 G 4.6600 7.3105 119.0003 46.2313 0.0000 172.3217 30 F 4.5936 7.5629 119.7810 56.6079 40.0866 173.3761 31 N 4.9190 8.1243 118.0628 52.3340 40.2751 172.4424 32 N 4.1207 8.7109 117.3148 53.7703 36.0929 172.6612 33 V 5.1986 7.7610 114.0678 59.2537 35.6308 173.7544 34 E 4.9048 9.2778 120.6183 55.1900 34.5875 173.6745 35 E 5.4940 9.3003 120.8708 53.7239 33.0104 173.8511 36 A 4.8197 8.1702 122.6363 50.2762 22.2941 176.2554 37 E 4.0033 9.4736 119.0376 59.0106 29.8249 177.5324 38 D 4.4458 7.8085 116.7244 51.6049 42.6218 176.8268 39 G 3.8734 8.1778 105.5582 48.2924 0.0000 175.6832 40 V 3.5517 8.3860 120.4942 65.8535 31.5202 177.7061 41 D 4.1012 7.9447 116.1312 56.9587 41.0387 177.9033 42 A 3.8400 8.3056 121.8232 55.1118 18.4435 179.2024 43 L 3.8027 7.7986 118.6984 58.4971 41.9174 178.7816 44 N 4.3979 7.4987 115.0689 56.1098 39.0305 176.7889 45 K 4.1013 8.0871 120.5512 59.2029 32.0665 178.9993 46 L 3.8325 7.6367 119.2097 57.9464 41.3536 179.1657 47 Q 4.2110 7.7111 113.1080 56.4531 28.4956 177.3701 48 A 4.4290 8.3182 122.2142 52.9082 18.6198 180.0089 49 G 4.3649 7.7227 113.7231 44.7033 0.0000 173.2999 50 G 4.0687 7.3705 113.7205 44.5713 0.0000 172.5820 51 Y 4.1586 8.7571 124.6707 57.4942 38.9652 175.8904 52 G 3.6044 8.6724 107.7857 47.3311 0.0000 174.3718 53 F 4.8647 7.7311 117.0145 55.9071 43.9385 173.9449 54 V 4.8457 8.6631 121.6678 61.0699 31.7201 172.6834 55 I 4.8555 8.9303 125.5974 59.8092 39.0087 174.8631 56 S 5.1739 8.7861 120.4818 56.7788 66.8909 174.4715 57 D 4.6279 8.6275 121.3525 53.1471 40.9131 175.2792 58 W 4.7331 9.0560 122.6698 57.6972 33.0956 176.6644 59 N 5.1604 9.0144 115.4437 52.0511 37.1446 174.4495 60 M 4.0767 8.1933 117.6819 55.9500 32.6639 175.2717 61 P 4.4566 0.0000 0.0000 64.6865 33.3383 176.6443 62 N 4.4089 8.4026 112.6707 53.7095 39.3753 175.3513 63 M 4.1451 9.2779 122.2151 54.4349 32.6642 174.9513 64 D 4.5063 8.3769 126.9885 53.2467 41.5436 177.3461 65 G 3.3166 7.9325 107.0392 47.4062 0.0000 175.9130 66 L 3.8222 7.3978 122.8497 57.7604 41.9328 178.7577 67 E 3.9437 7.9138 118.2772 58.8704 29.4854 178.7059 68 L 3.8320 7.9917 120.7445 58.1746 42.1848 178.3527 69 L 3.8826 7.8179 120.0044 58.6289 41.7647 179.2480 70 K 4.2201 8.3334 117.9087 59.4089 32.2067 179.4554 71 T 3.9995 8.1295 116.6250 66.7049 68.1402 176.7132 72 I 3.7204 7.7473 121.6625 64.3660 36.9251 178.1557 73 R 4.2165 8.2121 115.1625 57.0299 29.8045 178.0126 74 A 4.0447 7.9077 121.4217 52.8140 18.8458 178.5501 75 D 4.3470 7.9716 118.1537 53.4782 40.6091 174.1114 76 G 4.0994 8.9371 108.1569 45.7866 0.0000 172.9802 77 A 4.5235 7.3832 118.4735 52.9678 21.6608 176.3993 78 M 4.3175 7.8292 112.8391 55.5209 32.9847 179.0585 79 S 3.9885 8.0682 114.5704 61.4094 63.1431 176.7319 80 A 4.0329 7.8447 122.4594 53.3437 18.3564 177.4661 81 L 3.9174 7.9203 117.6519 53.7896 41.9729 175.0077 82 P 4.4404 0.0000 0.0000 62.7967 32.3434 175.8282 83 V 4.3836 8.3546 119.1992 60.8727 33.3760 175.3122 84 L 4.8401 8.8813 126.5791 53.4427 44.9568 175.1117 85 M 4.6128 8.6972 127.8465 54.7718 33.0890 176.0368 86 V 4.2774 8.5546 124.5140 61.3806 33.9074 174.0919 87 T 4.8142 8.3923 121.7413 60.6063 71.2450 174.0190 88 A 4.1895 8.7989 125.1124 53.3369 18.8760 177.3978 89 E 4.2273 7.7237 115.4099 55.4094 28.9886 176.0712 90 A 4.3483 8.3603 126.2559 51.6557 19.5335 177.2911 91 K 3.7474 7.7464 118.4948 56.7680 32.9770 176.9860 92 K 3.7241 8.6275 126.4914 59.7456 32.1273 178.7817 93 E 3.8696 8.0142 118.7902 59.0504 29.4551 178.3319 94 N 3.8066 7.7827 116.1820 56.1198 38.4582 177.0507 95 I 2.6287 7.0048 120.8681 64.0456 37.1170 178.4103 96 I 3.5720 7.6487 120.2060 64.3326 37.0097 178.0172 97 A 4.0501 8.5096 121.5113 55.3685 18.1314 179.4865 98 A 4.1454 8.4529 118.9215 55.4441 18.6165 179.6815 99 A 3.9662 8.0462 119.1751 55.4245 18.2344 179.8560 100 Q 3.9220 8.4441 115.4178 59.1470 28.9725 178.8155 101 A 4.2078 8.3606 120.2897 53.1250 18.4419 177.6945 102 G 3.7336 7.9437 104.7985 45.9331 0.0000 173.9338 103 A 4.1823 8.2368 122.6875 51.8810 18.8979 179.9451 104 S 4.1883 8.8079 116.2248 59.7672 63.7016 174.0807 105 G 4.1060 6.8596 108.8042 46.4143 0.0000 171.3723 106 Y 5.2440 8.5382 120.0132 55.7836 42.2513 174.4308 107 V 4.5478 8.3862 124.1615 61.2543 35.4111 173.8851 108 V 5.1022 8.3419 126.1524 60.3907 34.3227 175.1360 109 K 4.4729 8.8737 126.3910 56.6850 33.0251 174.8398 110 P 4.4380 0.0000 0.0000 62.5392 32.1418 175.3226 111 F 5.0666 7.7479 115.0049 54.7380 41.2458 173.5475 112 T 4.7096 8.2075 110.1359 59.0239 73.2153 174.2908 113 A 3.9823 8.6365 121.6565 55.1584 18.0183 179.3821 114 A 3.9112 8.0633 118.8425 56.0015 18.4705 179.6796 115 T 3.9164 7.8998 110.6770 64.6661 67.4252 176.0119 116 L 3.8706 8.2145 123.0425 58.2890 42.1328 178.9892 117 E 3.9211 8.7306 117.3674 58.7685 29.4761 178.7103 118 E 3.8476 7.8124 120.7937 59.3202 29.7921 178.8761 119 K 3.9800 8.1150 118.5871 59.1361 32.0325 179.2761 120 L 3.7099 7.9147 119.5527 57.9312 41.6008 179.2729 121 N 3.8952 7.9923 116.9495 56.0813 38.7918 176.7990 122 K 3.9101 8.0196 120.4649 59.6678 32.2848 179.2643 123 I 4.1254 7.9262 112.7627 63.9091 37.4850 177.5455 124 F 5.0486 8.5559 122.0363 60.6095 38.5258 177.2659 125 E 4.1556 8.5910 118.6739 59.4789 29.5271 178.7612 126 K 4.1172 8.5474 120.1557 59.2353 32.3717 177.9486 127 L 4.1075 7.7336 120.4033 55.8931 42.1982 178.0975 128 G 3.9870 8.2846 105.9409 45.9146 0.0000 173.2503 129 M 4.2368 8.3913 125.0445 55.3025 31.9753 176.4832 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 M 8.30 4.38 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.99 4.14 1.28 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 0.00 0.00 3 D 8.36 4.76 0.00 2.73 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 4 K 8.50 4.04 0.00 1.72 1.85 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 5 E 8.25 3.69 0.00 2.00 1.91 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 2.20 2.27 0.00 6 L 8.10 3.82 0.00 1.64 1.72 0.75 0.48 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 7 K 8.18 4.64 0.00 1.51 0.74 0.00 0.90 0.00 0.00 1.82 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.67 7.81 8 F 9.65 4.94 0.00 3.09 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 9 L 9.11 5.20 0.00 1.46 1.44 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.81 4.59 2.12 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 0.98 0.00 0.00 1.00 0.00 0.00 11 V 8.80 4.43 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 0.97 0.00 0.00 0.92 0.00 0.00 12 D 8.15 5.01 0.00 2.75 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 13 D 8.23 4.44 0.00 2.86 2.79 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 14 F 8.90 5.06 0.00 2.93 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 15 S 9.03 4.06 0.00 3.78 3.86 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 16 T 6.83 3.52 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 0.99 0.00 0.00 17 M 7.71 4.05 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.96 0.00 18 R 7.86 3.91 0.00 1.90 2.04 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 19 R 7.79 3.85 0.00 2.01 1.89 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 20 I 7.99 3.59 2.02 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 1.27 0.46 0.70 0.00 0.00 21 V 8.23 3.69 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 1.05 0.00 0.00 1.12 0.00 0.00 22 R 8.04 3.71 0.00 1.92 2.10 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 23 N 8.48 4.24 0.00 2.85 2.93 0.00 0.00 7.26 6.30 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 24 L 8.23 4.02 0.00 1.89 1.74 1.00 0.58 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 25 L 8.30 4.03 0.00 1.64 1.34 0.19 0.16 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 26 K 8.00 4.23 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.60 7.81 27 E 8.31 4.12 0.00 2.10 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 2.56 2.49 0.00 28 L 8.09 4.28 0.00 2.01 1.87 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.31 4.66 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 0.00 0.00 0.00 30 F 7.56 4.59 0.00 2.95 2.99 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 0.00 0.00 0.00 31 N 8.12 4.92 0.00 2.78 2.82 0.00 0.00 6.07 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 32 N 8.71 4.12 0.00 3.06 3.16 0.00 0.00 6.90 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 33 V 7.76 5.20 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 0.59 0.00 0.00 0.94 0.00 0.00 34 E 9.28 4.90 0.00 2.13 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 2.56 0.00 35 E 9.30 5.49 0.00 1.95 1.82 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 2.21 2.19 0.00 36 A 8.17 4.82 1.19 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 0.00 0.00 0.00 37 E 9.47 4.00 0.00 1.96 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 2.35 2.25 0.00 38 D 7.81 4.45 0.00 2.80 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 39 G 8.18 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 0.00 0.00 0.00 40 V 8.39 3.55 2.21 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 0.92 0.00 0.00 0.99 0.00 0.00 41 D 7.94 4.10 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 42 A 8.31 3.84 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 43 L 7.80 3.80 0.00 1.83 1.64 0.87 0.36 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 44 N 7.50 4.40 0.00 2.68 2.93 0.00 0.00 7.30 6.56 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 45 K 8.09 4.10 0.00 1.63 1.55 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.55 7.81 46 L 7.64 3.83 0.00 1.70 1.67 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.71 4.21 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 48 A 8.32 4.43 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 4.36 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 0.00 50 G 7.37 4.07 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 0.00 0.00 0.00 51 Y 8.76 4.16 0.00 2.87 2.92 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 52 G 8.67 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.73 4.86 0.00 2.66 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 8.66 4.85 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 1.00 0.00 0.00 0.91 0.00 0.00 55 I 8.93 4.86 2.10 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 1.24 0.58 0.90 0.00 0.00 56 S 8.79 5.17 0.00 3.82 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 57 D 8.63 4.63 0.00 2.78 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 58 W 9.06 4.73 0.00 3.47 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 59 N 9.01 5.16 0.00 2.88 3.08 0.00 0.00 7.03 7.79 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 60 M 8.19 4.08 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 61 P 0.00 4.46 0.00 2.17 2.19 0.00 3.70 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 1.98 1.96 0.00 62 N 8.40 4.41 0.00 2.64 2.69 0.00 0.00 6.93 7.63 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 63 M 9.28 4.15 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 64 D 8.38 4.51 0.00 2.85 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 65 G 7.93 3.32 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 66 L 7.40 3.82 0.00 0.64 1.38 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.91 3.94 0.00 2.05 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 0.00 2.32 2.29 0.00 68 L 7.99 3.83 0.00 1.65 1.73 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.82 3.88 0.00 1.80 1.87 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.33 4.22 0.00 1.77 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.59 7.81 71 T 8.13 4.00 4.36 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 1.18 0.00 0.00 72 I 7.75 3.72 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.95 0.00 0.00 73 R 8.21 4.22 0.00 1.94 1.97 0.00 3.34 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 74 A 7.91 4.04 1.31 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 0.00 0.00 0.00 75 D 7.97 4.35 0.00 2.95 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 76 G 8.94 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 77 A 7.38 4.52 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 78 M 7.83 4.32 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 79 S 8.07 3.99 0.00 3.99 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 80 A 7.84 4.03 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 81 L 7.92 3.92 0.00 1.74 1.61 0.89 1.22 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 82 P 0.00 4.44 0.00 2.24 2.27 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 83 V 8.35 4.38 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 0.96 0.00 0.00 84 L 8.88 4.84 0.00 1.74 1.50 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 85 M 8.70 4.61 0.00 1.79 1.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 86 V 8.55 4.28 1.84 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 -0.16 0.00 0.00 0.70 0.00 0.00 87 T 8.39 4.81 4.22 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 1.13 0.00 0.00 88 A 8.80 4.19 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 89 E 7.72 4.23 0.00 1.99 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 2.39 2.52 0.00 90 A 8.36 4.35 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 91 K 7.75 3.75 0.00 1.73 1.51 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.45 7.81 92 K 8.63 3.72 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 93 E 8.01 3.87 0.00 1.95 1.91 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 2.36 2.35 0.00 94 N 7.78 3.81 0.00 2.17 1.42 0.00 0.00 6.16 6.80 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 95 I 7.00 2.63 1.66 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.36 0.65 0.00 0.00 96 I 7.65 3.57 1.93 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 1.41 0.36 0.90 0.00 0.00 97 A 8.51 4.05 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.15 1.72 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 0.00 0.00 99 A 8.05 3.97 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 0.00 100 Q 8.44 3.92 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 101 A 8.36 4.21 1.42 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 0.00 0.00 102 G 7.94 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 0.00 103 A 8.24 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.19 0.00 4.05 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 0.00 105 G 6.86 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 0.00 106 Y 8.54 5.24 0.00 2.93 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 0.00 107 V 8.39 4.55 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 0.39 0.00 0.00 0.76 0.00 0.00 108 V 8.34 5.10 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 1.03 0.00 0.00 1.15 0.00 0.00 109 K 8.87 4.47 0.00 1.86 2.02 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.53 1.54 7.81 110 P 0.00 4.44 0.00 2.15 2.05 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 111 F 7.75 5.07 0.00 3.08 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 0.00 112 T 8.21 4.71 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 1.18 0.00 0.00 113 A 8.64 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.06 3.91 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 0.00 115 T 7.90 3.92 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 1.36 0.00 0.00 116 L 8.21 3.87 0.00 1.92 1.85 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.73 3.92 0.00 2.21 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 0.00 2.46 2.43 0.00 118 E 7.81 3.85 0.00 2.18 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 2.29 2.34 0.00 119 K 8.12 3.98 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.56 7.81 120 L 7.91 3.71 0.00 1.47 0.88 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.99 3.90 0.00 2.73 2.75 0.00 0.00 7.45 6.27 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 0.00 122 K 8.02 3.91 0.00 2.06 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 123 I 7.93 4.13 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.01 0.96 0.00 0.00 124 F 8.56 5.05 0.00 3.22 3.02 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 0.00 125 E 8.59 4.16 0.00 2.02 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 0.00 2.45 2.60 0.00 126 K 8.55 4.12 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 127 L 7.73 4.11 0.00 1.82 1.73 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.28 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.39 4.24 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00