NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9676 8.3549 109.7372 45.3148 0.0000 173.0502 2 S 4.2556 8.8494 119.5125 58.5242 70.0800 172.4158 3 S 3.6615 8.9526 118.6745 58.7556 59.6693 169.0920 4 G 3.9952 8.4154 113.0690 43.8597 0.0000 171.8637 5 S 4.6463 7.3774 114.2272 56.2653 65.4539 174.4642 6 S 4.0705 8.5116 115.5677 58.6148 63.4946 174.9750 7 G 3.9848 8.3763 123.9546 43.6432 0.0000 171.4944 8 S 3.6935 8.6304 124.5538 57.6443 62.9894 170.6454 9 H 4.8198 8.3876 120.5256 54.2922 30.9193 174.2566 10 H 4.5576 8.5535 119.7173 55.1975 30.0715 173.5105 11 K 4.0175 8.4282 123.2831 56.1921 31.5012 175.8821 12 V 3.9743 8.4616 118.9715 64.2483 32.6569 176.5978 13 S 3.5565 8.0854 115.3893 57.3299 62.0219 171.8330 14 V 2.0000 7.6042 119.8761 63.1778 31.4995 174.9139 15 S 4.4827 6.6132 115.8140 56.4445 65.0995 172.5060 16 P 4.5938 0.0000 0.0000 63.8335 32.5092 175.2990 17 V 4.8925 7.7678 122.0145 61.2962 33.9642 174.3831 18 V 4.3010 8.8076 129.7381 62.6156 32.9886 174.5086 19 H 4.6226 10.1254 130.2567 55.7221 30.6143 173.9749 20 V 4.3432 9.7042 128.5372 62.3137 32.6714 175.1382 21 R 4.9418 8.5718 126.1178 54.6161 34.5866 174.7066 22 G 3.8765 8.5071 105.8635 46.7608 0.0000 173.1617 23 L 4.2881 7.2861 117.8130 52.9308 43.8085 176.7598 24 C 4.4711 8.1192 117.5961 59.1462 28.8348 174.0228 25 E 4.0971 8.7022 121.7423 58.6515 29.5053 177.1050 26 S 4.6885 7.7637 114.3366 55.9523 62.7762 172.3783 27 V 4.4010 7.6964 121.1894 60.7441 33.7524 174.7947 28 V 4.5110 7.6388 118.1534 58.9396 34.9002 176.5268 29 E 3.8670 8.7066 119.6452 59.7162 28.9918 177.8206 30 A 3.9512 8.1100 120.1512 55.6443 18.0603 178.8794 31 D 4.4761 8.1254 115.7384 57.8016 40.8902 179.6520 32 L 4.2222 7.5942 118.0796 57.4697 41.5474 179.3870 33 V 3.5601 9.1192 118.2909 66.1799 31.3210 177.6223 34 E 4.0904 9.2157 115.7248 57.7666 29.3642 177.7693 35 A 4.4978 7.2527 119.9832 52.3184 20.0075 177.9434 36 L 4.7334 8.3366 117.6500 56.8094 42.0819 178.4522 37 E 4.6359 9.8019 119.2435 58.7925 28.8496 179.3250 38 K 3.8347 7.8686 118.1092 60.0973 32.2270 178.0756 39 F 4.5284 9.0735 119.3097 58.4035 39.1800 176.8757 40 G 3.9753 8.7877 107.9154 45.7512 0.0000 173.8272 41 T 4.6446 8.7447 121.4262 61.9037 70.9600 172.6328 42 I 4.3755 8.0571 125.1261 59.8522 38.5809 174.9880 43 C 4.3251 9.3769 129.4271 61.8801 31.5519 172.7214 44 Y 4.7587 7.6263 117.1931 56.4121 42.6924 172.7282 45 V 4.9715 6.7567 120.6701 61.4123 34.8663 173.5315 46 M 4.9538 9.3797 127.2195 54.0756 35.3068 173.8340 47 M 4.9061 8.6844 124.2776 53.9423 34.5187 175.3072 48 M 4.8281 9.0948 123.3604 52.9523 34.4634 174.7800 49 P 4.4055 0.0000 0.0000 64.1008 31.4876 177.1655 50 F 3.6179 7.8749 115.8311 60.9956 39.8068 175.4882 51 K 4.6011 8.8185 120.5031 57.2855 33.1454 178.2247 52 R 3.6795 7.7113 117.8886 57.5224 27.8776 174.7574 53 Q 4.9902 8.4067 118.1444 54.3394 33.9634 175.2335 54 A 4.8389 8.7561 118.3415 51.6957 23.2398 175.4525 55 L 4.8174 8.8118 121.0490 53.1466 45.0358 176.2730 56 V 4.5511 8.4873 121.5348 61.2171 34.1551 173.9548 57 E 5.0316 9.4617 131.0396 54.9337 29.3319 175.7273 58 F 4.5814 8.9757 125.1616 56.9988 39.5717 175.0968 59 E 4.1920 9.0005 122.5943 59.1635 29.5040 176.6537 60 N 5.1445 8.0545 115.2314 50.6693 42.6830 174.5012 61 I 3.7248 8.2171 120.4955 63.8179 37.9275 177.5329 62 D 4.3050 7.9098 119.6288 57.5226 40.6625 178.6418 63 S 3.7763 8.0577 114.4701 61.5757 62.8139 176.3236 64 A 3.5813 7.2649 123.2325 55.2503 18.0899 179.5742 65 K 4.0762 7.9679 117.7854 59.1218 32.1781 178.8181 66 E 3.7581 7.8953 119.2799 59.6312 29.3104 178.6350 67 C 2.0000 7.0071 118.1028 62.3962 31.2809 174.9690 68 V 3.5150 7.3999 118.3566 65.6415 31.0310 177.2418 69 T 3.9723 8.6963 112.3564 65.6203 67.4036 176.0080 70 F 4.0085 8.5761 122.3260 60.9236 39.1652 175.9193 71 A 5.1143 8.8645 119.5399 51.9991 18.4691 177.8152 72 A 4.5496 8.0420 120.5936 53.3941 20.7808 178.4060 73 D 4.5110 7.9779 115.9505 54.7715 41.9799 177.3073 74 V 4.4153 7.4570 118.4054 58.6739 34.2361 173.0829 75 P 4.7698 0.0000 0.0000 62.9116 32.4598 175.5724 76 V 4.8657 8.4215 120.1472 61.5589 35.4142 173.4639 77 Y 4.9338 8.9098 122.8021 56.2600 41.3260 174.9904 78 I 4.2572 9.6222 125.1030 60.6151 38.3957 175.8815 79 A 3.8959 9.6533 128.8782 53.2638 15.9651 176.8223 80 G 3.8900 8.6923 103.8353 47.8405 0.0000 174.1554 81 Q 4.5175 8.3166 120.3449 53.5316 31.6349 173.9431 82 Q 2.5947 8.7822 125.6372 56.5124 29.2377 175.3088 83 A 4.3861 7.1900 123.5650 49.7515 23.1322 174.9971 84 F 4.8879 8.6319 116.5795 55.8114 43.1394 174.7114 85 F 5.2532 9.0154 120.7885 55.9154 41.2981 174.3504 86 N 4.9318 9.0178 120.6907 51.1525 43.1098 173.7143 87 Y 4.8960 8.3473 119.1995 59.1743 38.8321 176.7543 88 S 4.4379 9.6127 121.0313 58.5915 63.5530 175.0586 89 T 3.9354 8.6275 111.9135 65.1419 68.6596 175.3935 90 S 4.4465 7.7365 116.8638 57.4760 63.8493 174.1436 91 K 4.2930 8.4819 119.8826 57.7927 32.7059 177.6612 92 R 4.9422 7.4725 114.8159 53.9117 33.3070 175.1777 93 I 3.9048 8.1900 122.0412 61.1089 37.6232 176.4930 94 T 3.9343 8.2825 122.5660 63.5280 68.8520 174.6360 95 R 4.2314 8.1558 125.4118 54.3601 31.3837 174.3945 96 P 4.4947 0.0000 0.0000 62.7511 33.7520 171.3049 97 G 3.8128 10.3282 111.2283 43.4576 0.0000 172.0013 98 N 4.0307 9.7400 129.9262 53.4649 40.0020 170.8232 99 S 3.7775 8.8081 125.9098 57.7297 62.6286 170.8583 100 G 4.1093 8.1625 110.2454 42.5129 0.0000 170.8499 101 P 4.4039 0.0000 0.0000 62.3341 30.9606 175.8672 102 S 4.5573 8.3376 117.5968 56.2634 65.3739 172.8336 103 S 4.6016 8.6105 122.1589 57.7082 64.5029 174.2741 104 G 4.0132 8.8742 112.4066 45.7557 0.0000 173.1087 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 G 8.35 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 2 S 8.85 4.26 0.00 3.91 3.82 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 3 S 8.95 3.66 0.00 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 0.00 4 G 8.42 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 5 S 7.38 4.65 0.00 3.80 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 6 S 8.51 4.07 0.00 4.04 3.82 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 7 G 8.38 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 8 S 8.63 3.69 0.00 3.97 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 9 H 8.39 4.82 0.00 3.15 3.15 0.00 5.74 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 10 H 8.55 4.56 0.00 3.14 3.27 0.00 6.02 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.43 4.02 0.00 1.95 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 12 V 8.46 3.97 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 0.89 0.00 0.00 0.98 0.00 0.00 13 S 8.09 3.56 0.00 3.98 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 14 V 7.60 2.00 1.75 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 0.27 0.00 0.00 0.74 0.00 0.00 15 S 6.61 4.48 0.00 3.77 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 16 P 0.00 4.59 0.00 2.37 2.38 0.00 3.68 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 2.38 1.96 0.00 17 V 7.77 4.89 2.15 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 1.09 0.00 0.00 1.04 0.00 0.00 18 V 8.81 4.30 2.43 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 1.17 0.00 0.00 1.38 0.00 0.00 19 H 10.13 4.62 0.00 3.18 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 9.70 4.34 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 0.57 0.00 0.00 1.19 0.00 0.00 21 R 8.57 4.94 0.00 1.86 1.74 0.00 2.89 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.52 0.00 22 G 8.51 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 0.00 0.00 0.00 23 L 7.29 4.29 0.00 1.62 1.60 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.12 4.47 0.00 2.96 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 25 E 8.70 4.10 0.00 1.93 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 2.30 2.34 0.00 26 S 7.76 4.69 0.00 3.86 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 27 V 7.70 4.40 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 0.80 0.00 0.00 0.98 0.00 0.00 28 V 7.64 4.51 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 0.90 0.00 0.00 0.98 0.00 0.00 29 E 8.71 3.87 0.00 1.95 1.87 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 2.28 2.26 0.00 30 A 8.11 3.95 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 31 D 8.13 4.48 0.00 2.89 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 32 L 7.59 4.22 0.00 1.93 1.76 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.12 3.56 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 1.08 0.00 0.00 0.89 0.00 0.00 34 E 9.22 4.09 0.00 1.90 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 2.32 2.30 0.00 35 A 7.25 4.50 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 36 L 8.34 4.73 0.00 1.66 1.95 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.80 4.64 0.00 2.23 2.32 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 2.22 2.29 0.00 38 K 7.87 3.83 0.00 1.55 1.70 0.00 0.61 0.00 0.00 0.92 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 0.51 7.81 39 F 9.07 4.53 0.00 3.21 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 40 G 8.79 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 41 T 8.74 4.64 4.33 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 1.25 0.00 0.00 42 I 8.06 4.38 1.77 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 0.55 0.37 0.75 0.00 0.00 43 C 9.38 4.33 0.00 3.10 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 44 Y 7.63 4.76 0.00 3.00 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 45 V 6.76 4.97 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 0.79 0.00 0.00 0.80 0.00 0.00 46 M 9.38 4.95 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 47 M 8.68 4.91 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 48 M 9.09 4.83 0.00 1.99 2.01 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 2.48 2.40 0.00 49 P 0.00 4.41 0.00 2.22 2.22 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 50 F 7.87 3.62 0.00 2.95 3.24 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 51 K 8.82 4.60 0.00 1.97 1.77 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 52 R 7.71 3.68 0.00 1.95 2.09 0.00 3.22 0.00 0.00 3.47 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 53 Q 8.41 4.99 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 54 A 8.76 4.84 1.22 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 0.00 0.00 55 L 8.81 4.82 0.00 1.61 1.62 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.49 4.55 2.15 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 0.31 0.00 0.00 0.99 0.00 0.00 57 E 9.46 5.03 0.00 2.16 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 0.00 2.34 2.40 0.00 58 F 8.98 4.58 0.00 3.05 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 59 E 9.00 4.19 0.00 2.07 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 0.00 2.38 2.49 0.00 60 N 8.05 5.14 0.00 2.73 2.59 0.00 0.00 6.77 7.82 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 61 I 8.22 3.72 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.87 0.00 0.00 62 D 7.91 4.31 0.00 2.71 2.66 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 63 S 8.06 3.78 0.00 3.91 3.19 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 64 A 7.26 3.58 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 65 K 7.97 4.08 0.00 1.99 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.51 7.81 66 E 7.90 3.76 0.00 1.87 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 2.36 2.43 0.00 67 C 7.01 2.00 0.00 1.59 2.52 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 68 V 7.40 3.52 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 0.33 0.00 0.00 0.63 0.00 0.00 69 T 8.70 3.97 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 70 F 8.58 4.01 0.00 3.23 3.25 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 71 A 8.86 5.11 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.55 1.32 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 73 D 7.98 4.51 0.00 2.68 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 74 V 7.46 4.42 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 -0.40 0.00 0.00 0.83 0.00 0.00 75 P 0.00 4.77 0.00 2.28 2.16 0.00 3.73 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 2.10 2.04 0.00 76 V 8.42 4.87 2.53 0.00 0.00 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 1.38 0.00 0.00 77 Y 8.91 4.93 0.00 2.80 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 78 I 9.62 4.26 1.84 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.93 0.00 0.00 79 A 9.65 3.90 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 80 G 8.69 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 0.00 0.00 0.00 81 Q 8.32 4.52 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 82 Q 8.78 2.59 0.00 1.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.43 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 83 A 7.19 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.63 4.89 0.00 2.73 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 85 F 9.02 5.25 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 86 N 9.02 4.93 0.00 2.61 2.59 0.00 0.00 6.58 7.47 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 87 Y 8.35 4.90 0.00 2.94 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 88 S 9.61 4.44 0.00 3.79 3.82 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 89 T 8.63 3.94 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 1.23 0.00 0.00 90 S 7.74 4.45 0.00 3.86 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 91 K 8.48 4.29 0.00 1.72 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 92 R 7.47 4.94 0.00 1.71 1.74 0.00 3.43 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 93 I 8.19 3.90 1.65 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.88 0.00 0.00 94 T 8.28 3.93 4.18 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 1.17 0.00 0.00 95 R 8.16 4.23 0.00 1.71 1.77 0.00 3.17 0.00 0.00 2.79 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 96 P 0.00 4.49 0.00 2.19 2.06 0.00 3.73 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 2.00 2.00 0.00 97 G 10.33 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 98 N 9.74 4.03 0.00 2.83 2.84 0.00 0.00 6.88 7.62 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 99 S 8.81 3.78 0.00 4.06 3.85 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 0.00 100 G 8.16 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 0.00 101 P 0.00 4.40 0.00 2.19 2.11 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 102 S 8.34 4.56 0.00 3.78 3.71 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 0.00 103 S 8.61 4.60 0.00 4.01 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 0.00 104 G 8.87 4.01 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 0.00 0.00 0.00