NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4348 8.3349 115.4057 58.1486 64.1630 175.6729 4 V 4.2348 8.2199 111.1941 56.2166 33.8026 172.6185 5 P 4.1702 0.0000 0.0000 62.6376 32.1872 174.0642 6 P 5.1633 0.0000 0.0000 61.8280 32.2078 175.7722 7 G 4.1896 8.4127 106.9983 45.6649 0.0000 172.7921 8 D 5.3563 8.6613 119.7799 52.6369 41.5600 175.1577 9 I 4.7269 7.9708 111.9147 59.0910 40.7958 174.1593 10 N 5.1233 8.8406 120.4124 51.5940 41.4007 173.9327 11 T 5.6346 8.2833 111.8697 59.0256 72.3486 173.4334 12 Q 4.4918 8.2582 121.0634 53.4229 32.4175 173.3721 13 P 4.8368 0.0000 0.0000 62.1365 32.6376 175.9713 14 G 4.2389 7.9930 106.5646 45.0742 0.0000 172.5417 15 S 4.8004 8.0295 117.3420 59.1205 70.0800 175.2332 16 K 4.5047 7.7570 116.0554 56.9350 35.2441 174.3621 17 I 4.3713 8.1813 119.4196 60.2080 41.5540 173.8140 18 V 4.8246 8.3077 129.3859 61.3768 33.2839 174.5334 19 F 4.7716 9.7187 127.0255 55.9662 41.0131 174.3611 20 N 5.3211 9.3638 121.9662 51.8789 39.9114 175.2561 21 A 3.0196 8.7152 125.6527 50.4917 19.5021 175.1221 22 P 3.9504 0.0000 0.0000 62.0438 32.2342 176.7178 23 Y 4.8111 7.4161 119.1187 57.6145 36.7849 176.1597 24 D 4.9900 7.4223 113.7881 52.5672 40.5673 175.6893 25 D 4.6274 7.5783 116.3790 53.6611 45.0474 175.2614 26 K 4.9922 8.7350 122.1315 56.7048 32.6018 175.5081 27 H 4.7588 9.0808 127.9729 55.2975 32.1694 174.0254 28 T 4.7725 7.7601 120.4417 62.2684 70.5836 173.2151 29 Y 4.5861 9.1361 125.4260 57.1967 40.4379 174.2070 30 H 5.5227 8.7366 116.0702 54.4520 32.9690 173.4276 31 I 4.8681 8.9288 119.9988 59.6066 41.9877 174.2150 32 K 4.8342 8.8642 127.2123 54.8978 34.2215 174.6842 33 I 4.6784 8.7879 129.0962 59.9035 39.5404 174.9539 34 T 4.7696 8.5047 122.9856 61.6695 72.5691 173.0351 35 N 4.8378 9.0349 125.4814 53.0705 38.2220 175.0185 36 A 4.3290 8.5133 127.9969 53.5563 19.2109 177.6492 37 G 3.8482 8.6103 105.1346 45.3302 0.0000 173.6562 38 G 3.8143 8.4851 106.8306 46.2437 0.0000 173.7435 39 R 4.7426 7.5309 116.7456 53.6725 33.9124 175.5577 40 R 4.4589 8.3624 119.4470 57.2207 31.5327 175.5142 41 I 4.8740 8.5911 112.3710 59.9817 41.5951 173.8003 42 G 4.8704 9.6429 110.6454 44.3280 0.0000 171.9725 43 W 6.3000 9.5201 121.1899 55.1702 32.2037 173.9596 44 A 4.9709 9.9777 122.6175 50.8144 22.4837 174.9942 45 I 5.1528 8.6520 121.2280 59.7355 39.0331 175.4395 46 K 4.6896 9.4358 126.9711 55.0634 35.6449 175.5353 47 T 5.2280 8.3888 116.8697 59.7919 71.5656 173.9542 48 T 4.5221 8.4320 115.5869 63.6769 69.7115 175.0497 49 N 4.9334 7.9628 120.8352 51.8461 39.6626 174.1619 50 M 4.0384 8.2851 121.8306 57.9825 32.8222 178.5677 51 R 4.0049 8.1066 116.6911 59.2963 30.8800 177.8345 52 R 4.0089 8.2559 117.7391 58.8134 30.3186 176.5132 53 L 5.4488 7.1127 115.7836 53.6725 43.4945 175.9991 54 G 4.2736 8.2371 104.6977 45.4796 0.0000 172.5064 55 V 5.1345 8.1950 122.0391 59.5479 35.5153 174.0456 56 D 4.8788 7.9992 121.9294 53.4002 44.0768 174.1387 57 P 4.7839 0.0000 0.0000 62.2025 32.4809 174.4545 58 P 4.7613 0.0000 0.0000 64.0162 32.3913 175.7202 59 S 3.0690 7.0707 111.2370 57.3390 65.1498 175.2283 60 G 3.6423 5.3800 107.2147 45.9345 0.0000 171.6886 61 V 5.2493 8.5781 119.0398 61.0881 34.2153 175.2903 62 L 5.1425 9.0039 126.4069 53.2095 45.6191 176.8936 63 D 5.0408 10.6100 124.3701 53.2747 42.5879 174.0468 64 P 4.4626 0.0000 0.0000 63.9170 32.3044 177.2858 65 S 3.9024 9.0007 115.0776 59.0405 61.7972 171.2944 66 E 4.5108 7.6991 121.8269 55.8337 30.8768 175.1414 67 K 5.2271 8.2773 121.0146 55.5657 35.9956 175.3838 68 V 4.5276 9.0263 119.8566 60.0792 35.5103 174.0018 69 L 5.0936 8.5622 123.7362 53.7873 43.6065 175.0923 70 M 4.7441 8.9978 124.5230 53.4461 34.2673 174.6443 71 A 4.9501 8.6216 122.5912 50.4842 21.1987 175.9967 72 V 4.6078 8.6309 123.3748 62.0264 33.6308 175.1087 73 S 5.5329 8.9890 122.6463 57.1457 66.8951 172.9338 74 C 5.0072 8.9643 121.8864 58.2257 34.4886 173.2995 75 D 5.1329 8.7821 126.7455 53.5193 42.0707 175.6696 76 T 4.3175 8.5841 111.6796 62.4252 69.4295 174.2606 77 F 4.7827 7.4573 114.1264 57.4334 41.9279 173.5638 78 N 4.8470 8.4721 110.9632 51.2570 38.6312 175.3140 79 A 4.3207 8.0963 123.9590 54.9354 18.8890 179.2798 80 A 4.2519 7.7747 117.8480 54.5984 18.6023 178.2440 81 T 4.5444 8.4033 102.5128 62.4543 71.8864 174.6994 82 E 4.1278 8.0525 119.7292 55.6891 30.1666 175.7889 83 D 4.5414 8.1856 120.0428 54.4252 41.8230 175.9320 84 L 4.8368 8.2931 122.0285 54.4624 43.7542 176.6863 85 N 4.8386 9.1635 115.9949 53.5028 39.2706 175.2072 86 N 5.0070 8.1167 115.4548 52.9693 39.5150 173.6968 87 D 5.0028 7.8858 116.9763 53.1572 43.6752 175.5722 88 R 4.6800 8.1489 118.8179 55.3578 34.5832 173.5138 89 I 4.7179 9.3232 124.6139 59.6136 40.6375 173.9238 90 C 5.1621 10.1308 128.2793 57.7245 33.7309 172.2187 91 I 5.0159 9.0209 127.6497 59.7494 39.3742 174.3166 92 E 5.7153 9.7646 127.6002 54.4662 32.4680 175.3174 93 W 6.3000 9.4094 120.1854 56.2965 32.4292 173.2701 94 T 4.7152 9.1000 114.6368 60.7717 71.0778 172.5288 95 N 5.1604 8.8492 121.9195 52.7834 40.0814 174.3086 96 T 4.1181 7.8799 109.8987 58.6220 71.2784 172.7045 97 P 4.1430 0.0000 0.0000 64.0926 31.8425 178.2013 98 D 4.3676 8.1211 122.6754 56.8312 41.3081 177.5293 99 G 4.0170 7.8692 107.0825 43.1783 0.0000 171.1918 100 A 4.7762 7.9937 125.9890 50.5369 21.9307 176.1600 101 A 4.6612 8.3766 122.4961 50.3102 20.3433 178.3203 102 K 4.2514 8.6142 123.1249 56.2289 30.1448 174.6315 103 Q 4.4410 8.0933 116.7796 54.7790 31.8798 173.4531 104 F 4.5822 9.2679 128.4418 58.6370 40.1040 174.4882 105 R 3.6053 5.8400 125.4206 53.6726 31.5915 175.8047 106 R 3.7591 7.9918 124.4733 59.5425 30.6193 177.8962 107 E 4.2094 8.0383 118.2350 58.8904 29.1261 179.2717 108 W 4.6579 7.8071 117.5110 59.9843 29.0851 178.2335 109 F 4.2296 8.4472 116.9005 60.2821 38.8761 177.5100 110 Q 4.3101 8.3336 117.3508 59.9479 28.6358 177.4466 111 G 4.1439 8.2432 106.5645 45.7467 0.0000 172.2217 112 D 4.5775 8.3494 119.3428 53.1660 40.2523 176.3660 113 G 3.8814 7.5145 113.1692 46.0513 0.0000 169.8246 114 M 4.3756 8.3700 118.6477 54.1852 33.2662 175.8061 115 V 4.2511 7.9278 121.3127 61.1398 34.5054 174.4393 116 R 4.2504 8.3435 128.2408 54.7449 31.9615 175.0007 117 R 5.4758 7.9846 121.8356 54.6185 34.5297 174.5834 118 K 4.7781 9.5044 121.7531 55.3393 36.0939 174.3098 119 N 5.4895 8.9376 124.2303 51.5439 40.9887 174.1618 120 L 4.7372 9.0933 123.9082 52.3123 44.4153 174.0304 121 P 4.7510 0.0000 0.0000 62.1683 33.3900 174.9995 122 I 4.5185 7.6815 123.0034 60.2321 38.3833 174.7051 123 E 4.4658 9.1998 128.6613 54.6105 31.5647 174.1114 124 Y 5.0219 8.5851 125.4219 57.3235 39.2933 174.4216 125 N 4.9169 10.3792 125.4691 51.9705 40.8305 174.9324 126 L 4.2590 8.5840 125.3754 54.9665 41.9859 176.5888 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 3 S 8.33 4.43 0.00 3.95 3.21 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 4 V 8.22 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.17 0.00 2.15 2.05 0.00 3.74 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 1.99 1.97 0.00 6 P 0.00 5.16 0.00 2.14 2.17 0.00 2.97 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 7 G 8.41 4.19 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 0.00 8 D 8.66 5.36 0.00 2.86 2.98 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 9 I 7.97 4.73 1.37 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.38 0.00 0.00 10 N 8.84 5.12 0.00 2.49 2.63 0.00 0.00 6.88 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 11 T 8.28 5.63 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 1.04 0.00 0.00 12 Q 8.26 4.49 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.84 0.00 2.11 2.07 0.00 3.66 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 2.03 1.88 0.00 14 G 7.99 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 0.00 0.00 0.00 0.00 15 S 8.03 4.80 0.00 3.70 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 16 K 7.76 4.50 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.36 7.81 17 I 8.18 4.37 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.75 1.04 0.00 0.00 18 V 8.31 4.82 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 0.98 0.00 0.00 0.93 0.00 0.00 19 F 9.72 4.77 0.00 2.96 3.34 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 20 N 9.36 5.32 0.00 2.68 2.77 0.00 0.00 7.05 7.36 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 21 A 8.72 3.02 0.68 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 22 P 0.00 3.95 0.00 1.95 1.90 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.42 4.81 0.00 2.49 2.23 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 24 D 7.42 4.99 0.00 2.71 2.68 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 25 D 7.58 4.63 0.00 2.57 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 26 K 8.73 4.99 0.00 1.85 1.81 0.00 1.63 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.38 7.81 27 H 9.08 4.76 0.00 3.47 3.41 0.00 5.86 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 28 T 7.76 4.77 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 1.31 0.00 0.00 29 Y 9.14 4.59 0.00 2.71 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 30 H 8.74 5.52 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.93 4.87 1.77 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 1.08 0.79 0.88 0.00 0.00 32 K 8.86 4.83 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 I 8.79 4.68 1.28 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.15 0.41 0.00 0.00 34 T 8.50 4.77 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 1.13 0.00 0.00 35 N 9.03 4.84 0.00 2.75 2.79 0.00 0.00 6.74 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 36 A 8.51 4.33 1.30 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 0.00 0.00 0.00 37 G 8.61 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 0.00 0.00 0.00 38 G 8.49 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 39 R 7.53 4.74 0.00 1.66 1.81 0.00 3.21 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 40 R 8.36 4.46 0.00 1.72 1.81 0.00 3.08 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 41 I 8.59 4.87 2.27 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 1.12 0.00 0.00 42 G 9.64 4.87 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 43 W 9.52 6.30 0.00 3.57 3.33 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 0.00 44 A 9.98 4.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 5.15 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 1.01 0.00 0.00 46 K 9.44 4.69 0.00 1.74 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.39 5.23 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 1.22 0.00 0.00 48 T 8.43 4.52 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 1.24 0.00 0.00 49 N 7.96 4.93 0.00 2.70 2.54 0.00 0.00 7.16 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 50 M 8.29 4.04 0.00 2.03 2.12 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 2.60 2.51 0.00 51 R 8.11 4.00 0.00 1.95 1.95 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 R 8.26 4.01 0.00 1.77 1.75 0.00 2.70 0.00 0.00 2.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 53 L 7.11 5.45 0.00 1.56 1.62 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.24 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 0.00 0.00 0.00 0.00 55 V 8.19 5.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.88 0.00 2.86 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 57 P 0.00 4.78 0.00 2.30 2.09 0.00 3.93 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 2.32 2.12 0.00 58 P 0.00 4.76 0.00 2.00 2.11 0.00 3.60 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 2.07 0.00 59 S 7.07 3.07 0.00 2.72 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 60 G 5.38 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.58 5.25 2.22 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 0.96 0.00 0.00 1.28 0.00 0.00 62 L 9.00 5.14 0.00 1.81 1.57 1.46 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.61 5.04 0.00 2.60 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.82 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 2.06 2.15 0.00 65 S 9.00 3.90 0.00 4.00 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 66 E 7.70 4.51 0.00 2.11 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 2.33 2.28 0.00 67 K 8.28 5.23 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.03 4.53 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 0.42 0.00 0.00 1.00 0.00 0.00 69 L 8.56 5.09 0.00 1.60 1.59 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 M 9.00 4.74 0.00 1.97 2.39 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 71 A 8.62 4.95 1.14 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 0.00 0.00 72 V 8.63 4.61 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 1.31 0.00 0.00 0.99 0.00 0.00 73 S 8.99 5.53 0.00 3.89 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 74 C 8.96 5.01 0.00 3.60 3.31 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 75 D 8.78 5.13 0.00 2.83 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 76 T 8.58 4.32 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 1.29 0.00 0.00 77 F 7.46 4.78 0.00 3.43 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 78 N 8.47 4.85 0.00 2.72 2.75 0.00 0.00 7.47 8.01 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 79 A 8.10 4.32 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 80 A 7.77 4.25 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 81 T 8.40 4.54 4.25 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 1.22 0.00 0.00 82 E 8.05 4.13 0.00 1.89 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 2.32 2.58 0.00 83 D 8.19 4.54 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.29 4.84 0.00 1.74 1.66 1.00 0.80 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 85 N 9.16 4.84 0.00 2.66 2.87 0.00 0.00 6.73 7.89 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 86 N 8.12 5.01 0.00 2.65 2.77 0.00 0.00 6.88 8.06 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 87 D 7.89 5.00 0.00 2.52 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 4.68 0.00 1.86 1.69 0.00 3.03 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.32 4.72 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.91 0.00 0.00 90 C 10.13 5.16 0.00 3.03 2.83 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 91 I 9.02 5.02 2.10 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.95 0.00 0.00 92 E 9.76 5.72 0.00 2.12 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 0.00 2.37 2.35 0.00 93 W 9.41 6.30 0.00 3.78 3.48 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 94 T 9.10 4.72 3.95 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 0.46 0.00 0.00 95 N 8.85 5.16 0.00 2.66 2.65 0.00 0.00 7.23 7.05 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 96 T 7.88 4.12 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 -0.19 0.00 0.00 97 P 0.00 4.14 0.00 2.16 2.08 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 98 D 8.12 4.37 0.00 2.67 2.68 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 99 G 7.87 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 0.00 100 A 7.99 4.78 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 0.00 101 A 8.38 4.66 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 0.00 102 K 8.61 4.25 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 103 Q 8.09 4.44 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 104 F 9.27 4.58 0.00 2.99 2.97 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 0.00 105 R 5.84 3.61 0.00 0.67 0.67 0.00 2.96 0.00 0.00 2.80 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.00 106 R 7.99 3.76 0.00 1.90 1.85 0.00 3.31 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 107 E 8.04 4.21 0.00 1.75 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 2.28 2.39 0.00 108 W 7.81 4.66 0.00 3.34 2.82 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 0.00 109 F 8.45 4.23 0.00 3.22 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 0.00 110 Q 8.33 4.31 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 111 G 8.24 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 0.00 0.00 0.00 0.00 112 D 8.35 4.58 0.00 2.62 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 0.00 113 G 7.51 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 0.00 114 M 8.37 4.38 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 115 V 7.93 4.25 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 0.84 0.00 0.00 0.97 0.00 0.00 116 R 8.34 4.25 0.00 0.67 0.66 0.00 2.72 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.20 0.00 117 R 7.98 5.48 0.00 1.70 1.86 0.00 3.27 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 118 K 9.50 4.78 0.00 2.11 1.72 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.52 7.81 119 N 8.94 5.49 0.00 2.65 2.72 0.00 0.00 6.84 7.85 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 0.00 120 L 9.09 4.74 0.00 1.49 1.55 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.75 0.00 2.07 2.13 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.68 4.52 1.50 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 0.78 0.10 -0.41 0.00 0.00 123 E 9.20 4.47 0.00 1.94 1.80 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 2.24 2.25 0.00 124 Y 8.59 5.02 0.00 3.01 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 N 10.38 4.92 0.00 2.82 2.90 0.00 0.00 6.71 6.54 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 0.00 126 L 8.58 4.26 0.00 1.72 1.58 1.01 1.18 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