NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6760 8.2076 120.1993 54.4534 42.4829 175.0221 2 N 5.1008 8.6275 119.9895 51.9598 39.1740 171.6004 3 I 4.8201 7.8586 119.6824 59.8987 40.9847 175.7160 4 L 4.5423 8.8024 130.3838 53.7354 43.3934 175.2219 5 Y 4.8691 9.1986 125.1125 56.8537 39.6608 175.6997 6 S 4.5486 8.9763 117.8623 60.4149 63.3242 175.0075 7 G 3.9959 9.6618 112.7945 45.0186 0.0000 172.5648 8 E 4.7963 8.0718 119.3060 55.3687 32.8893 175.0849 9 T 5.0261 8.1325 116.1770 62.7447 72.7213 173.6833 10 L 4.4601 9.2854 127.7436 54.2413 43.3415 177.3445 11 S 4.7891 9.2652 121.5823 57.5093 65.9224 173.5661 12 T 4.2995 8.4771 117.0716 65.5238 68.4777 175.9308 13 G 4.1052 9.4056 114.8592 45.5635 0.0000 173.4984 14 E 4.6311 8.1091 119.6983 56.3355 31.1169 175.3885 15 F 5.2060 7.6161 114.0368 56.5520 40.4409 173.1430 16 L 4.9572 9.0145 120.1867 53.9045 43.9300 175.4352 17 N 5.6450 9.1231 117.7974 52.6784 40.7286 173.5098 18 Y 4.5209 9.6962 119.6480 57.9366 43.4806 173.8882 19 G 3.4028 7.4135 116.1959 47.0433 0.0000 174.7634 20 S 4.4141 7.6134 119.0419 57.9263 63.6706 173.2454 21 F 5.4390 7.7163 122.2560 57.4497 40.3659 174.9358 22 V 4.8177 9.0744 122.6804 61.5632 34.8123 173.9751 23 F 5.2322 9.6847 132.1854 57.0821 39.6687 173.3159 24 I 4.8516 8.6501 126.1386 59.2500 40.7030 174.0934 25 M 4.5104 8.7735 129.6030 54.3663 32.5640 175.4692 26 Q 4.4970 8.5505 125.4976 55.0632 30.2560 177.2778 27 E 3.9089 8.9284 121.3173 59.6167 29.9448 178.0547 28 D 4.6188 8.0048 115.1161 53.9870 39.4746 177.4242 29 C 3.8694 8.0696 115.9608 57.6673 32.7839 171.9188 30 N 4.6764 8.0604 119.4902 51.8092 40.3003 173.6384 31 L 4.3805 7.9768 129.9886 54.3299 43.1085 175.4857 32 V 4.7141 8.3512 126.3786 60.8115 35.3468 173.8180 33 L 5.2729 8.8179 128.6584 53.8073 44.1019 174.5774 34 Y 5.1397 9.1693 124.3870 56.5119 41.2907 174.6020 35 D 5.5159 9.3824 123.5190 52.5973 41.7071 178.2964 36 V 3.5202 8.9930 129.5874 63.6542 30.9865 172.8262 37 D 4.6697 9.1589 116.1898 52.8361 40.3510 176.0460 38 K 4.4692 7.8764 121.1936 54.8047 33.0384 174.4580 39 P 4.4756 0.0000 0.0000 62.6140 32.1112 175.5798 40 I 4.4275 8.8036 122.8381 62.2236 39.4584 175.5746 41 W 5.2091 7.5963 128.9944 56.1247 34.4904 173.2417 42 A 4.5181 6.2548 121.2345 51.1176 21.1913 177.2880 43 T 2.8636 7.9866 110.7004 61.0866 69.4941 174.3703 44 N 3.9965 6.9542 119.3628 55.0144 36.7561 174.6257 45 T 4.4469 7.5568 104.5192 61.0294 69.3565 174.0667 46 G 3.7624 7.7234 111.2017 47.5106 0.0000 174.0793 47 G 4.0405 9.2856 112.6832 45.4219 0.0000 175.4355 48 L 4.1057 7.5102 118.2655 57.0764 41.9866 176.9005 49 S 4.5838 7.1197 111.6385 58.7230 67.5115 174.3894 50 R 4.9003 8.2581 119.2210 56.7851 33.2504 175.5267 51 S 4.0594 8.4933 116.9528 58.8980 60.6334 170.9734 52 C 5.0537 7.8376 116.7758 56.4737 42.3612 174.7115 53 F 5.2134 8.2916 114.0385 55.6424 41.1740 173.4009 54 L 4.8565 9.2867 125.7171 54.6323 43.6434 175.1553 55 S 5.2156 9.6250 120.7811 56.8192 65.8846 172.1641 56 M 4.7809 8.7051 127.7573 54.4520 33.0221 175.2845 57 Q 4.8097 8.8024 126.2691 55.3071 30.3624 177.7790 58 T 4.3323 8.6798 111.0778 64.3633 69.4554 175.8547 59 D 4.6524 8.1155 120.8174 54.1771 39.9168 177.5518 60 G 2.8688 7.7592 108.4804 44.3963 0.0000 172.9665 61 N 4.3859 8.4705 120.0561 52.8467 40.5128 173.6551 62 L 4.8677 8.7339 129.1463 53.9571 43.1888 174.8430 63 V 4.6074 8.5881 126.7775 60.8803 34.6849 174.4976 64 V 4.6033 8.8909 127.4252 61.7738 33.0324 174.1335 65 Y 5.0620 8.0321 126.1898 56.2646 40.7565 175.4616 66 N 4.9906 8.7646 119.8402 50.4260 39.3847 174.3098 67 P 4.4584 0.0000 0.0000 66.1273 31.0695 177.3609 68 S 4.3662 8.2290 112.0212 58.5012 62.8547 174.0916 69 N 4.4014 8.8854 117.1107 53.5867 36.6044 173.8527 70 K 4.3471 8.5968 121.4416 54.8174 32.9895 174.2273 71 P 4.5636 0.0000 0.0000 62.8020 31.9018 176.0261 72 I 4.1582 8.5197 124.7383 63.0839 38.2098 175.7721 73 W 5.0702 7.6678 129.0714 56.5451 34.1629 173.1287 74 A 4.3540 6.2181 122.6740 50.7434 20.6408 176.8360 75 S 3.5542 8.2108 114.9101 58.5026 64.2925 175.4823 76 N 4.4103 7.7266 116.6283 54.3270 36.2129 173.9138 77 T 4.3631 7.0609 106.9800 61.7301 69.3251 175.3021 78 G 3.7254 7.9111 110.3335 45.3577 0.0000 174.6944 79 G 4.5486 6.9459 117.2902 46.3508 0.0000 172.2068 80 Q 4.2097 7.5139 124.9748 54.0292 29.6508 175.6971 81 N 4.7451 8.9838 125.1199 52.9609 39.9557 174.9374 82 G 3.8603 8.1503 112.1169 46.3590 0.0000 170.6860 83 N 4.9519 7.6576 116.8313 52.2057 40.7403 174.1077 84 Y 5.2253 9.1227 119.7695 56.6882 43.3776 174.4870 85 V 4.9265 8.8138 113.0921 59.9646 36.5554 174.0749 86 C 5.1023 9.1604 125.3891 57.8132 33.6720 172.3184 87 I 4.7434 8.6258 127.6315 59.5321 39.7795 175.1128 88 L 4.6626 8.7156 130.6166 53.2247 40.8284 176.2550 89 Q 4.0209 8.6502 124.1208 55.0601 29.4794 178.3052 90 K 3.7622 8.1864 118.4823 58.8847 32.7663 177.2947 91 D 4.7312 7.9150 118.2149 52.6948 39.7955 175.9682 92 R 2.9978 7.7042 116.8773 57.4997 28.4157 175.9721 93 N 4.6823 7.4369 115.1110 51.7407 42.6386 173.2599 94 V 4.1650 8.0113 126.6480 62.0249 32.2150 175.0977 95 V 4.2837 8.4044 127.3269 60.9932 35.1939 173.8792 96 I 4.8901 7.8601 125.5883 59.8115 39.3417 174.6174 97 Y 4.9026 10.0459 123.1862 55.4391 41.9296 175.2431 98 G 4.4595 8.5980 113.1341 45.0028 0.0000 172.1127 99 T 4.1662 7.9316 110.7298 59.3575 70.1874 173.7855 100 D 4.4998 8.1597 121.1494 53.5897 40.1068 176.1095 101 R 4.3515 8.6834 121.3510 57.3939 31.2431 176.1852 102 W 5.2063 7.6869 123.5580 55.9952 34.0224 173.2932 103 A 3.8444 6.2921 121.6912 50.9542 21.0590 177.6895 104 T 3.2970 7.6171 110.9852 62.1987 69.3004 175.8118 105 G 3.7678 7.4089 110.9247 46.2206 0.0000 174.9752 106 T 4.1010 7.4846 107.9639 62.0487 68.7585 174.0273 107 H 3.8394 7.3177 121.8299 57.3009 30.3369 174.6800 108 T 4.0369 8.0931 121.1111 63.6640 68.5119 174.5114 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 D 8.21 4.68 0.00 2.80 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 2 N 8.63 5.10 0.00 2.94 3.36 0.00 0.00 5.82 6.76 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 3 I 7.86 4.82 1.50 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.58 -0.05 0.00 0.00 4 L 8.80 4.54 0.00 1.81 1.58 1.09 0.84 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 5 Y 9.20 4.87 0.00 3.05 2.89 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 6 S 8.98 4.55 0.00 4.13 4.21 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 0.00 0.00 0.00 0.00 7 G 9.66 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 8 E 8.07 4.80 0.00 2.22 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 2.34 2.54 0.00 9 T 8.13 5.03 4.31 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 1.49 0.00 0.00 10 L 9.29 4.46 0.00 1.69 1.69 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 S 9.27 4.79 0.00 3.87 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 12 T 8.48 4.30 4.31 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 1.33 0.00 0.00 13 G 9.41 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 14 E 8.11 4.63 0.00 2.18 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 2.36 2.35 0.00 15 F 7.62 5.21 0.00 3.26 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 16 L 9.01 4.96 0.00 1.91 1.76 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.12 5.64 0.00 2.91 3.33 0.00 0.00 6.67 7.33 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 18 Y 9.70 4.52 0.00 3.16 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 19 G 7.41 3.40 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 0.00 20 S 7.61 4.41 0.00 3.99 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 21 F 7.72 5.44 0.00 3.29 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 22 V 9.07 4.82 2.20 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 0.96 0.00 0.00 0.94 0.00 0.00 23 F 9.68 5.23 0.00 3.15 3.08 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 24 I 8.65 4.85 1.97 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 1.19 1.66 1.13 0.00 0.00 25 M 8.77 4.51 0.00 2.48 1.95 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 26 Q 8.55 4.50 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 27 E 8.93 3.91 0.00 2.06 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 2.39 2.38 0.00 28 D 8.00 4.62 0.00 2.93 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 29 C 8.07 3.87 0.00 3.18 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 30 N 8.06 4.68 0.00 2.87 2.60 0.00 0.00 6.85 6.37 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 31 L 7.98 4.38 0.00 1.47 1.12 0.29 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.35 4.71 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 0.03 0.00 0.00 0.76 0.00 0.00 33 L 8.82 5.27 0.00 2.10 1.78 1.09 0.76 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 34 Y 9.17 5.14 0.00 2.96 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 35 D 9.38 5.52 0.00 2.78 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 36 V 8.99 3.52 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 0.79 0.00 0.00 0.97 0.00 0.00 37 D 9.16 4.67 0.00 2.79 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 38 K 7.88 4.47 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 39 P 0.00 4.48 0.00 1.98 1.77 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 40 I 8.80 4.43 2.03 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 1.34 0.90 0.93 0.00 0.00 41 W 7.60 5.21 0.00 3.29 2.95 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 0.00 0.00 0.00 42 A 6.25 4.52 0.85 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 0.00 0.00 43 T 7.99 2.86 3.23 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 -0.29 0.00 0.00 44 N 6.95 4.00 0.00 2.78 2.79 0.00 0.00 6.79 7.42 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 45 T 7.56 4.45 4.21 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 0.00 0.00 0.00 1.27 0.00 0.00 46 G 7.72 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 47 G 9.29 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 48 L 7.51 4.11 0.00 1.75 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.12 4.58 0.00 3.94 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 50 R 8.26 4.90 0.00 1.73 1.76 0.00 3.23 0.00 0.00 2.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 51 S 8.49 4.06 0.00 4.12 3.96 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 52 C 7.84 5.05 0.00 2.87 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 53 F 8.29 5.21 0.00 3.27 3.15 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 54 L 9.29 4.86 0.00 1.83 1.69 1.15 0.76 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 55 S 9.63 5.22 0.00 4.30 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 56 M 8.71 4.78 0.00 2.25 2.05 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 2.65 2.66 0.00 57 Q 8.80 4.81 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 58 T 8.68 4.33 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 1.30 0.00 0.00 59 D 8.12 4.65 0.00 2.87 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 60 G 7.76 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 0.00 0.00 0.00 61 N 8.47 4.39 0.00 2.74 2.63 0.00 0.00 6.65 6.51 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 62 L 8.73 4.87 0.00 1.83 1.63 1.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.59 4.61 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 -0.27 0.00 0.00 0.76 0.00 0.00 64 V 8.89 4.60 2.29 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 0.93 0.00 0.00 0.98 0.00 0.00 65 Y 8.03 5.06 0.00 1.46 2.39 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 66 N 8.76 4.99 0.00 2.98 2.97 0.00 0.00 6.95 7.60 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 67 P 0.00 4.46 0.00 2.28 2.36 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 68 S 8.23 4.37 0.00 4.05 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 69 N 8.89 4.40 0.00 2.88 2.94 0.00 0.00 6.85 8.27 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 70 K 8.60 4.35 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 71 P 0.00 4.56 0.00 2.03 1.78 0.00 3.88 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 72 I 8.52 4.16 1.88 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 1.09 0.83 0.93 0.00 0.00 73 W 7.67 5.07 0.00 3.32 2.93 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 0.00 0.00 0.00 74 A 6.22 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.21 3.55 0.00 3.78 4.05 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 76 N 7.73 4.41 0.00 2.76 2.85 0.00 0.00 6.94 7.56 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 77 T 7.06 4.36 4.09 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 0.00 0.00 0.00 1.11 0.00 0.00 78 G 7.91 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 79 G 6.95 4.55 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 0.00 0.00 0.00 80 Q 7.51 4.21 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 81 N 8.98 4.75 0.00 2.76 2.75 0.00 0.00 7.08 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 82 G 8.15 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 83 N 7.66 4.95 0.00 2.76 2.70 0.00 0.00 6.61 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 84 Y 9.12 5.23 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 85 V 8.81 4.93 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 0.83 0.00 0.00 1.14 0.00 0.00 86 C 9.16 5.10 0.00 2.97 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 87 I 8.63 4.74 1.95 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 1.05 0.85 0.86 0.00 0.00 88 L 8.72 4.66 0.00 1.55 1.63 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.65 4.02 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 90 K 8.19 3.76 0.00 1.93 1.48 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.42 7.81 91 D 7.92 4.73 0.00 2.78 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 92 R 7.70 3.00 0.00 0.80 1.58 0.00 2.95 0.00 0.00 2.80 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 93 N 7.44 4.68 0.00 2.68 2.54 0.00 0.00 6.66 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 94 V 8.01 4.16 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 -0.16 0.00 0.00 0.16 0.00 0.00 95 V 8.40 4.28 1.83 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 0.13 0.00 0.00 0.74 0.00 0.00 96 I 7.86 4.89 1.72 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 1.26 0.62 0.86 0.00 0.00 97 Y 10.05 4.90 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 98 G 8.60 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.93 4.17 4.09 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 0.00 0.00 0.00 0.85 0.00 0.00 100 D 8.16 4.50 0.00 2.78 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 0.00 101 R 8.68 4.35 0.00 1.90 2.08 0.00 3.35 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 102 W 7.69 5.21 0.00 3.12 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 0.00 103 A 6.29 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.62 3.30 4.12 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 1.05 0.00 0.00 105 G 7.41 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 0.00 106 T 7.48 4.10 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 1.22 0.00 0.00 107 H 7.32 3.84 0.00 2.97 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.09 4.04 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 1.14 0.00 0.00