NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4215 8.2893 120.3490 54.7617 33.4191 175.0230 2 E 3.8551 8.6165 122.4335 55.2473 30.4308 175.3695 3 S 4.1947 8.4457 117.8091 58.0665 63.9493 175.9185 4 K 4.2460 8.5772 123.3436 57.9570 32.1719 177.8829 5 R 4.1152 8.0212 117.3169 57.9470 29.8224 175.3315 6 N 5.3465 7.4391 117.5125 50.4404 38.3623 172.4634 7 K 4.4370 7.6705 120.4720 54.5303 35.3464 172.2179 8 P 4.6195 0.0000 0.0000 62.7185 32.4615 175.6314 9 G 3.6512 8.3768 108.8138 46.1257 0.0000 171.7384 10 K 5.0897 8.3844 118.9070 54.2235 34.1042 176.6542 11 A 4.4300 8.8604 127.8051 52.1559 19.5896 176.2804 12 T 4.9180 8.2906 112.9239 59.8283 71.9677 173.5730 13 G 4.0365 7.9075 109.6682 46.8690 0.0000 171.4377 14 K 4.3732 9.1619 117.5499 57.0777 34.3937 176.6980 15 G 3.9839 8.2594 104.6584 45.3798 0.0000 172.7350 16 K 4.2677 8.4013 120.3872 54.8905 32.9413 176.0470 17 P 4.9132 0.0000 0.0000 62.8017 28.7683 176.4010 18 V 4.0657 7.5408 116.3715 60.0372 33.6532 175.0579 19 G 4.3239 8.1141 108.2603 43.4365 0.0000 173.4030 20 D 4.6879 8.7808 118.5526 55.7783 39.4840 177.3681 21 K 4.4846 8.1411 119.1338 56.0123 32.5544 178.0517 22 W 4.3953 8.6489 119.9847 59.7143 27.8523 178.5203 23 L 3.2479 7.0285 118.3136 57.1477 41.1065 178.7728 24 D 4.5346 7.9577 117.5003 56.5782 40.9018 176.7685 25 D 4.6617 7.9195 117.3002 54.4685 41.7158 177.7370 26 A 4.3949 7.9082 120.7861 53.5540 18.2271 178.4111 27 G 4.0212 7.9787 104.5552 45.0364 0.0000 173.0725 28 K 4.4225 8.2374 119.5461 55.1501 33.4971 174.1039 29 D 4.7116 8.5523 122.2214 54.7464 40.7963 174.0626 30 S 4.5084 8.2641 112.2310 58.3649 66.4178 173.1046 31 G 3.8567 8.2441 107.1159 43.9787 0.0000 173.2831 32 A 4.7706 8.6907 121.5268 49.4502 20.1941 175.4893 33 P 4.8258 0.0000 0.0000 62.8959 32.4993 176.4048 34 I 3.6105 8.1630 121.4057 61.4203 38.2237 174.2800 35 P 4.7489 0.0000 0.0000 62.0457 32.0683 177.0117 36 D 4.6183 8.5596 123.2991 56.2626 38.7164 179.5790 37 R 3.8958 7.6534 118.0858 58.8710 30.4302 178.5487 38 I 3.7937 7.4029 118.9091 64.1852 37.4958 178.0149 39 A 4.0109 7.7648 121.4056 55.2842 17.8999 179.2937 40 D 4.3512 8.2504 117.0591 57.5166 41.0093 178.7524 41 K 4.2697 7.9539 116.7363 57.6708 32.2740 177.6103 42 L 4.7389 7.4172 118.3407 54.2388 42.2289 176.1696 43 R 4.1155 7.8599 119.6365 57.2655 28.5630 175.1029 44 D 4.6363 8.9133 123.5512 54.7347 39.2246 174.7043 45 K 4.0587 7.6796 119.1065 56.2524 33.1781 176.0549 46 E 4.3980 8.4410 125.6825 56.1402 30.2713 175.7148 47 F 4.7589 8.9660 125.3173 55.7613 42.2110 176.3990 48 K 4.3383 8.9955 119.9269 57.9347 32.9090 177.3270 49 S 4.9821 7.7528 112.2850 56.1081 66.7711 174.9422 50 F 4.0592 9.0466 124.1544 61.4662 38.9882 176.5063 51 D 4.4093 8.4028 117.1861 57.6210 40.7816 177.5266 52 D 4.4474 8.2846 118.3824 57.2957 41.1657 178.1821 53 F 3.1232 8.1713 121.1473 60.9694 39.3824 176.9915 54 R 3.3467 7.9461 118.6187 59.5380 29.8600 177.8474 55 K 4.3495 8.3621 118.6203 59.2789 31.9669 178.3872 56 A 3.8623 7.6526 119.6984 55.6783 18.4146 179.4003 57 V 3.0422 6.8725 115.3538 66.3435 31.5799 178.1709 58 W 4.9358 7.7344 118.1071 60.2038 28.9288 178.5187 59 E 4.3325 8.1861 118.3583 59.3833 28.9680 179.0762 60 E 3.9850 8.5731 119.0462 58.9674 29.1801 179.2191 61 V 3.6948 7.6580 118.2862 66.4668 31.8593 178.0485 62 S 4.5516 7.6889 113.2917 60.1746 62.8649 175.9562 63 K 4.2930 7.8882 120.7833 56.5376 32.2127 176.1343 64 D 4.6536 7.8537 120.3800 52.2802 41.4983 175.2861 65 P 4.4101 0.0000 0.0000 64.6301 31.5409 177.0710 66 E 4.4092 8.2329 117.4720 57.9392 30.4644 178.5595 67 L 4.2845 7.8781 118.6720 57.6388 41.8208 178.0364 68 S 4.6369 8.0725 110.7007 58.0678 63.6255 175.3474 69 K 3.8364 7.7638 123.2038 60.0562 31.8133 177.1316 70 N 4.6569 8.1275 112.3980 53.7298 38.8961 174.8280 71 L 4.5247 7.7730 119.1186 53.6267 43.3619 176.3888 72 N 4.8885 8.4014 118.7102 51.6829 40.6151 175.5253 73 P 4.0462 0.0000 0.0000 65.3231 31.6213 178.5045 74 S 4.0854 8.0317 111.8653 61.4962 62.3445 175.7577 75 N 4.4171 8.0184 117.9160 56.0992 38.1877 177.6139 76 K 3.9818 8.5620 120.4251 59.5845 32.2297 179.5589 77 S 4.1561 8.6433 115.8604 61.4986 62.6283 176.5376 78 S 4.2469 7.8200 117.9707 62.0669 62.7056 177.2567 79 V 3.7744 8.0074 114.9662 64.4567 31.1863 178.2623 80 S 4.7373 7.6505 112.2586 58.8509 63.1780 175.1776 81 K 4.4240 7.6125 121.1935 55.8997 32.4799 177.0166 82 G 3.7634 8.0194 107.6113 45.7066 0.0000 172.7818 83 Y 5.3334 7.5325 116.6385 55.8285 40.3392 175.9925 84 S 2.9145 8.7211 119.0086 57.5030 63.5854 172.4848 85 P 4.4873 0.0000 0.0000 63.4488 32.2773 174.3408 86 F 4.9763 8.7740 118.0766 55.8689 41.8349 174.8343 87 T 4.5064 7.6572 107.6662 59.1729 71.4153 172.2280 88 P 4.5094 0.0000 0.0000 62.2935 32.5317 177.2480 89 K 4.0599 8.6510 121.0158 58.1476 32.2135 176.8497 90 N 4.7175 7.9802 114.1061 53.9932 37.6433 175.2815 91 Q 4.4435 8.2939 117.1061 55.6343 31.1381 175.0202 92 Q 4.4066 8.0490 117.3643 55.5090 29.3509 176.8031 93 V 3.9850 8.5336 125.5550 61.5773 29.5782 173.5635 94 G 4.1284 7.5341 111.4620 45.3193 0.0000 172.6481 95 G 3.6345 7.8533 109.4584 46.7728 0.0000 173.9768 96 R 4.1600 7.7089 122.3360 55.3709 29.4353 176.7004 97 K 4.2173 8.3521 122.8646 56.6297 34.2310 177.1769 98 V 3.9341 7.0450 110.5560 59.7379 33.0916 175.8787 99 Y 4.2683 7.9770 121.0919 58.7531 38.2841 175.8833 100 E 5.0026 9.4454 122.7917 54.5665 33.6741 174.7501 101 L 5.1305 8.6685 122.1332 54.0748 43.2912 175.2809 102 H 5.0014 9.3311 122.7641 54.7585 34.2104 171.1814 103 H 6.0447 7.7631 115.3840 52.9971 31.8792 173.7035 104 D 4.4838 9.2107 121.6338 56.5594 41.7573 176.7988 105 K 4.5148 8.0614 116.7153 53.7425 33.8335 174.4907 106 P 4.3421 0.0000 0.0000 62.6018 32.1543 176.7820 107 I 3.6319 8.7325 124.8982 64.7353 37.0433 178.2633 108 S 4.2410 8.0832 112.2675 60.3850 62.6548 174.3584 109 Q 4.4798 8.3145 122.4651 55.7555 29.4183 174.9067 110 G 3.5905 8.3913 100.1286 45.4849 0.0000 175.6125 111 G 3.6810 7.6615 108.0057 43.8689 0.0000 173.9279 112 E 3.9483 8.5545 126.2769 55.9182 28.4481 177.3219 113 V 3.2116 7.7933 124.1093 66.1893 32.6500 176.7096 114 Y 3.9162 7.4201 117.1827 57.1453 36.7907 176.6007 115 D 4.8936 7.3586 119.1251 52.6327 43.6281 175.1918 116 M 4.1755 9.3611 128.5580 58.3614 32.1552 178.8356 117 D 4.4647 7.7657 116.2560 56.4057 41.1843 176.2759 118 N 4.8116 8.4399 116.8900 53.3344 40.8642 173.7611 119 I 5.0451 7.9141 120.1937 60.5827 39.3756 174.5972 120 R 5.0834 9.0301 127.1903 54.1761 32.7938 175.8377 121 V 4.4022 9.1339 125.2522 63.1179 32.6699 174.8622 122 T 5.3584 9.3043 118.5655 59.8618 72.1917 173.7941 123 T 4.2112 8.6178 113.9009 60.9221 70.0946 173.5118 124 P 4.1975 0.0000 0.0000 66.1418 31.3077 178.7632 125 K 3.9457 7.5931 117.7945 59.3061 32.1453 178.9204 126 R 3.8942 7.6495 118.2367 59.3027 30.0344 177.8378 127 H 3.8733 8.2712 118.0536 59.2857 29.8038 177.0507 128 I 3.8089 7.8294 121.5387 64.6772 37.0602 177.6672 129 D 4.3722 7.9289 119.3265 57.9956 40.5268 179.3487 130 I 3.9004 7.4037 118.0903 63.8480 37.1472 177.0426 131 H 4.7970 8.0032 116.0512 54.7216 29.7534 175.5041 132 R 3.7388 8.8649 117.1664 57.4466 27.7973 175.6329 133 G 4.3707 8.6759 112.7154 46.1550 0.0000 173.3798 134 K 4.1483 7.2863 121.5879 56.1188 32.0500 176.9387 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 8.29 4.42 0.00 2.00 2.03 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 2.48 2.54 0.00 2 E 8.62 3.86 0.00 2.21 1.97 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 2.29 2.38 0.00 3 S 8.45 4.19 0.00 3.85 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 4 K 8.58 4.25 0.00 1.95 1.92 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 5 R 8.02 4.12 0.00 1.82 1.96 0.00 2.50 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 6 N 7.44 5.35 0.00 2.72 2.91 0.00 0.00 7.21 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 7 K 7.67 4.44 0.00 1.82 1.66 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.41 7.81 8 P 0.00 4.62 0.00 1.93 2.01 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 9 G 8.38 3.65 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 0.00 0.00 0.00 10 K 8.38 5.09 0.00 1.60 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 11 A 8.86 4.43 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 12 T 8.29 4.92 4.27 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 1.24 0.00 0.00 13 G 7.91 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 14 K 9.16 4.37 0.00 1.78 1.71 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.33 7.81 15 G 8.26 3.98 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 0.00 0.00 0.00 16 K 8.40 4.27 0.00 1.79 1.71 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 17 P 0.00 4.91 0.00 2.02 2.00 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 18 V 7.54 4.07 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 0.67 0.00 0.00 0.59 0.00 0.00 19 G 8.11 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 20 D 8.78 4.69 0.00 3.11 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 21 K 8.14 4.48 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 W 8.65 4.40 0.00 3.54 3.47 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 23 L 7.03 3.25 0.00 1.31 1.33 0.56 -0.33 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 24 D 7.96 4.53 0.00 2.84 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 25 D 7.92 4.66 0.00 2.94 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 26 A 7.91 4.39 1.52 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 0.00 0.00 0.00 27 G 7.98 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 0.00 0.00 0.00 28 K 8.24 4.42 0.00 1.91 1.73 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.37 7.81 29 D 8.55 4.71 0.00 2.81 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 30 S 8.26 4.51 0.00 3.88 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 31 G 8.24 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 0.00 0.00 0.00 32 A 8.69 4.77 1.44 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 33 P 0.00 4.83 0.00 2.10 2.11 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 34 I 8.16 3.61 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.06 0.73 0.00 0.00 35 P 0.00 4.75 0.00 1.82 1.60 0.00 3.21 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 1.16 1.29 0.00 36 D 8.56 4.62 0.00 2.82 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 37 R 7.65 3.90 0.00 1.67 1.95 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 38 I 7.40 3.79 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.38 0.65 0.00 0.00 39 A 7.76 4.01 1.40 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 0.00 0.00 0.00 40 D 8.25 4.35 0.00 2.60 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 41 K 7.95 4.27 0.00 1.73 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.79 7.81 42 L 7.42 4.74 0.00 1.82 1.91 0.49 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 43 R 7.86 4.12 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 44 D 8.91 4.64 0.00 2.90 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 45 K 7.68 4.06 0.00 1.70 1.29 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.61 7.81 46 E 8.44 4.40 0.00 1.81 1.64 0.00 0.00 0.00 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 2.26 0.00 47 F 8.97 4.76 0.00 3.07 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 48 K 9.00 4.34 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.37 7.81 49 S 7.75 4.98 0.00 4.28 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 50 F 9.05 4.06 0.00 3.24 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 51 D 8.40 4.41 0.00 2.90 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 52 D 8.28 4.45 0.00 3.00 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 53 F 8.17 3.12 0.00 2.81 2.81 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 54 R 7.95 3.35 0.00 1.58 2.01 0.00 3.45 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 55 K 8.36 4.35 0.00 2.02 1.78 0.00 1.96 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.49 7.81 56 A 7.65 3.86 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 57 V 6.87 3.04 1.40 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 0.22 0.00 0.00 -0.22 0.00 0.00 58 W 7.73 4.94 0.00 3.37 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 E 8.19 4.33 0.00 2.17 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 2.48 2.62 0.00 60 E 8.57 3.99 0.00 1.98 1.93 0.00 0.00 0.00 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 2.37 0.00 61 V 7.66 3.69 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 1.26 0.00 0.00 1.41 0.00 0.00 62 S 7.69 4.55 0.00 4.21 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.89 4.29 0.00 1.77 1.90 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 64 D 7.85 4.65 0.00 2.71 2.51 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 65 P 0.00 4.41 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 66 E 8.23 4.41 0.00 2.10 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 2.26 2.40 0.00 67 L 7.88 4.28 0.00 1.85 1.96 0.64 0.17 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 68 S 8.07 4.64 0.00 4.06 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 0.00 69 K 7.76 3.84 0.00 2.03 2.06 0.00 1.98 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.46 7.81 70 N 8.13 4.66 0.00 2.76 2.84 0.00 0.00 7.09 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 71 L 7.77 4.52 0.00 1.74 1.58 0.90 0.82 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 72 N 8.40 4.89 0.00 2.89 2.91 0.00 0.00 6.03 7.71 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 73 P 0.00 4.05 0.00 2.18 2.08 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 74 S 8.03 4.09 0.00 3.83 3.78 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 75 N 8.02 4.42 0.00 3.04 2.84 0.00 0.00 7.33 7.84 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 76 K 8.56 3.98 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 77 S 8.64 4.16 0.00 3.84 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 78 S 7.82 4.25 0.00 4.06 4.06 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 79 V 8.01 3.77 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 0.83 0.00 0.00 1.08 0.00 0.00 80 S 7.65 4.74 0.00 3.99 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 81 K 7.61 4.42 0.00 1.97 1.89 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.44 7.81 82 G 8.02 3.76 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 0.00 0.00 0.00 83 Y 7.53 5.33 0.00 2.97 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 84 S 8.72 2.91 0.00 3.54 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 85 P 0.00 4.49 0.00 2.16 2.12 0.00 2.20 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 1.39 1.42 0.00 86 F 8.77 4.98 0.00 2.71 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 87 T 7.66 4.51 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 0.40 0.00 0.00 88 P 0.00 4.51 0.00 2.30 2.01 0.00 3.53 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 89 K 8.65 4.06 0.00 1.67 1.81 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 90 N 7.98 4.72 0.00 2.85 2.90 0.00 0.00 5.86 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 91 Q 8.29 4.44 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.04 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 92 Q 8.05 4.41 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.29 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 93 V 8.53 3.99 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 0.95 0.00 0.00 0.95 0.00 0.00 94 G 7.53 4.13 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 0.00 0.00 0.00 95 G 7.85 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 96 R 7.71 4.16 0.00 1.81 1.86 0.00 3.10 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 97 K 8.35 4.22 0.00 1.79 1.98 0.00 1.76 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.65 7.81 98 V 7.04 3.93 1.74 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 -0.54 0.00 0.00 0.73 0.00 0.00 99 Y 7.98 4.27 0.00 2.70 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 0.00 100 E 9.45 5.00 0.00 1.91 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 2.22 2.27 0.00 101 L 8.67 5.13 0.00 1.85 1.79 0.64 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.33 5.00 0.00 3.30 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 7.76 6.04 0.00 2.90 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.21 4.48 0.00 2.70 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 0.00 105 K 8.06 4.51 0.00 1.75 1.69 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.43 7.81 106 P 0.00 4.34 0.00 2.17 1.99 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 107 I 8.73 3.63 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.86 0.00 0.00 108 S 8.08 4.24 0.00 3.96 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 0.00 109 Q 8.31 4.48 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.28 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 110 G 8.39 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.68 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 0.00 0.00 0.00 112 E 8.55 3.95 0.00 1.94 1.93 0.00 0.00 0.00 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 2.28 0.00 113 V 7.79 3.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.80 0.00 0.00 114 Y 7.42 3.92 0.00 2.99 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 0.00 115 D 7.36 4.89 0.00 2.61 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 0.00 116 M 9.36 4.18 0.00 2.10 2.18 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 2.94 2.61 0.00 117 D 7.77 4.46 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 0.00 118 N 8.44 4.81 0.00 2.82 2.92 0.00 0.00 7.03 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 0.00 119 I 7.91 5.05 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 1.20 0.00 0.00 120 R 9.03 5.08 0.00 1.79 1.91 0.00 3.34 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 121 V 9.13 4.40 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 1.15 0.00 0.00 1.12 0.00 0.00 122 T 9.30 5.36 4.29 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 1.26 0.00 0.00 123 T 8.62 4.21 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 1.22 0.00 0.00 124 P 0.00 4.20 0.00 2.34 2.13 0.00 3.41 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 2.06 2.16 0.00 125 K 7.59 3.95 0.00 1.67 1.78 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 126 R 7.65 3.89 0.00 2.01 2.00 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 127 H 8.27 3.87 0.00 3.20 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.83 3.81 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.90 0.00 0.00 129 D 7.93 4.37 0.00 2.88 2.71 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 0.00 130 I 7.40 3.90 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.42 0.89 0.00 0.00 131 H 8.00 4.80 0.00 3.19 3.17 0.00 5.77 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.86 3.74 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 133 G 8.68 4.37 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 0.00 134 K 7.29 4.15 0.00 1.80 1.72 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81