NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2783 8.2493 123.5645 51.6287 21.4003 176.4345 3 E 3.3746 7.4189 112.8856 54.3084 30.3078 174.1886 4 E 3.9463 7.4660 115.5328 57.3591 30.9375 177.4970 5 W 4.7424 6.7611 115.1618 56.6978 29.9749 174.8022 6 Y 4.7315 7.7252 122.9792 57.7473 38.0515 175.6505 7 F 3.9432 9.4088 126.2690 56.8808 39.6287 178.7829 8 G 3.6134 6.3292 107.1126 46.2987 0.0000 175.8615 9 K 4.4237 8.4785 118.1428 55.1481 30.9803 175.2006 10 I 4.2740 7.2007 113.4874 60.0203 40.3174 175.9484 11 T 4.5373 7.8511 110.6394 60.1021 71.8926 175.3322 12 R 3.8764 8.3381 121.4324 59.5317 29.9392 178.7289 13 R 3.8559 7.8992 118.0306 59.4365 30.1913 178.1230 14 E 3.9730 8.3703 118.4849 59.6306 29.4270 179.5716 15 S 4.0284 8.2108 115.0999 61.6291 62.8557 176.6962 16 E 3.9841 8.5042 121.7764 59.2734 28.9838 179.5932 17 R 3.9674 7.9736 115.4307 59.2313 29.7303 178.6469 18 L 4.1371 7.9690 119.7745 57.3773 41.4606 178.9810 19 L 4.2062 7.9417 117.0207 56.1592 41.6960 177.9710 20 L 4.6316 7.3946 118.5007 53.2990 42.2147 175.7760 21 N 4.3857 7.5225 120.1076 52.9182 38.9925 174.1631 22 P 4.4428 0.0000 0.0000 65.1952 31.5756 177.3730 23 E 4.1234 8.1705 118.1975 58.8767 29.6292 177.4036 24 N 4.3725 7.9282 117.1584 52.3189 38.8732 173.4604 25 P 4.4490 0.0000 0.0000 62.9969 31.4782 174.5966 26 R 4.5497 8.5905 117.5027 56.1762 31.7616 176.3018 27 G 4.3208 8.9299 112.6839 46.2133 0.0000 173.2319 28 T 5.1887 8.0728 117.4891 63.6423 69.6466 173.3788 29 F 6.0751 8.5576 119.8400 54.7784 42.4682 172.7896 30 L 4.8075 8.2971 115.5596 54.9808 43.0839 174.0997 31 V 4.9748 8.8409 122.0311 62.0000 33.8398 174.7793 32 R 4.9985 9.0928 122.4607 54.7737 33.6073 173.0947 33 E 4.8533 8.7580 120.1850 55.6323 30.5668 175.9955 34 S 4.3886 8.5172 121.5573 58.1507 62.5450 174.0368 35 E 4.0988 9.1112 127.5882 57.9406 29.2079 175.6742 36 T 4.2868 6.6253 104.6826 63.4774 71.8712 174.3974 37 T 4.0041 7.5011 126.0036 62.0472 68.2825 174.5194 38 K 4.0870 8.2980 126.3986 57.5271 32.6493 177.9070 39 G 3.7630 8.7757 109.2283 45.5754 0.0000 172.7696 40 A 4.8234 7.2450 119.3730 50.1707 22.9639 175.3684 41 Y 5.4948 8.7712 116.5763 56.6552 42.4032 174.2641 42 C 5.2163 9.1610 116.3603 58.7923 33.1719 173.6417 43 L 4.7946 9.1496 126.7324 54.3033 42.7343 175.1591 44 S 5.0640 8.8537 123.9638 57.1591 64.8334 173.6555 45 V 4.9026 8.7445 125.2125 60.9309 34.1017 174.9078 46 S 4.8889 8.9757 123.3919 58.4665 64.6274 172.7356 47 D 5.1528 9.2116 120.5763 52.7552 45.3244 173.8092 48 F 5.2902 8.9631 125.1615 56.5304 41.3442 173.9049 49 D 4.8426 8.5782 124.1383 51.9899 40.0361 176.3480 50 N 3.8957 8.6813 120.4569 53.5827 39.0837 173.8118 51 A 3.6883 8.5395 122.3599 53.7631 17.3888 178.6560 52 K 4.0889 7.8332 114.1219 57.3401 34.0988 177.4089 53 G 3.6777 7.7527 104.7242 44.0858 0.0000 175.0304 54 L 4.6992 8.1440 130.8380 53.4039 42.5763 173.7257 55 N 5.1554 9.2663 123.8409 51.1303 41.7480 173.0583 56 V 4.6568 8.1951 117.4871 61.1917 34.0208 174.4822 57 K 4.4763 9.0037 127.9843 55.1838 34.2618 175.1628 58 H 5.1611 8.5877 121.3744 54.3256 30.8450 173.0334 59 Y 4.6174 8.9308 121.7057 55.9596 40.3679 174.8472 60 K 4.7361 8.7371 125.8003 55.8583 33.3561 175.8222 61 I 4.4936 8.8407 129.1061 60.6581 38.8410 175.2530 62 R 4.7939 8.5276 124.7891 54.1657 33.8028 174.8590 63 K 4.4633 8.1979 122.0229 54.3381 33.6061 175.5018 64 L 4.2833 8.8084 131.7767 54.5403 42.4694 176.0489 65 D 4.4129 9.0246 126.4884 55.9817 39.0534 176.7536 66 S 4.5797 8.7937 117.0219 59.3418 63.9269 172.4022 67 G 4.0370 7.7120 118.2575 44.4644 0.0000 170.4149 68 G 4.2842 8.5382 112.5074 46.3043 0.0000 171.5003 69 F 6.2728 9.7955 122.4136 55.1859 41.8210 174.5048 70 Y 5.3785 8.0846 119.6776 55.9223 41.0455 175.7734 71 I 4.1737 9.0552 121.3305 62.5227 38.3382 176.8528 72 T 4.6017 8.3819 107.5246 60.7471 70.7514 173.3663 73 S 4.2416 8.6315 116.6509 58.6278 60.9924 170.2366 74 R 3.8598 7.6155 117.4778 59.2963 29.7702 177.7647 75 T 3.9605 7.6276 119.2501 62.1719 67.6797 174.1335 76 Q 4.8308 7.6392 124.5680 54.0692 31.3318 175.4683 77 F 4.9613 8.8901 117.6345 55.6343 43.0335 176.4137 78 S 4.1730 9.1416 119.8365 61.9027 62.8711 174.8489 79 S 4.7643 7.5458 112.7708 56.8448 66.0348 176.7582 80 L 3.6358 7.3528 120.7116 57.2815 41.0930 179.7078 81 Q 4.1276 7.9242 118.0436 59.2426 28.7970 178.3993 82 Q 4.0463 7.8393 119.3005 58.3076 28.9184 177.7972 83 L 2.4400 7.3186 121.6812 57.7569 42.1132 179.1461 84 V 3.1179 7.5373 118.0174 65.4244 31.0648 177.7375 85 A 3.9291 7.7035 119.8936 55.2434 18.6032 178.7218 86 Y 3.9964 8.0916 118.2145 61.1478 38.9503 177.6720 87 Y 4.1227 7.4333 116.3095 59.9080 37.7217 178.1516 88 S 4.5003 7.5203 117.1476 59.7323 63.0261 174.9693 89 K 4.1428 7.7568 119.2090 56.5314 33.7748 177.3987 90 H 4.1651 7.7590 124.5267 55.1007 29.3176 175.1154 91 A 4.4275 7.5651 129.2208 51.6449 16.0421 177.1304 92 D 4.6905 7.8123 119.7207 54.8277 40.1743 176.3604 93 G 4.1563 9.0447 115.2424 46.1241 0.0000 173.6386 94 L 4.1840 7.8237 119.1084 54.0124 42.2559 177.6828 95 C 3.9459 8.7133 115.8372 60.5938 29.6667 173.0617 96 H 4.4295 6.9226 118.3874 55.4767 33.3621 173.4623 97 R 4.0085 7.9050 122.8621 56.0258 30.5513 175.9074 98 L 4.2353 8.5202 125.5682 54.5069 40.0163 177.2265 99 T 4.3284 7.5194 115.1476 62.8079 68.5403 174.0039 100 N 5.1806 7.8666 118.9340 50.4897 43.3993 173.4296 101 V 3.3419 8.4260 123.7361 63.2440 32.2531 174.9235 102 C 4.1603 8.5494 128.4969 58.8699 31.8014 171.6136 103 P 4.3748 0.0000 0.0000 62.7187 31.5065 176.8725 104 T 4.2003 8.6171 118.7915 64.0240 68.3068 174.1157 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 2 A 8.25 4.28 1.18 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 0.00 0.00 0.00 3 E 7.42 3.37 0.00 1.16 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 1.99 1.91 0.00 4 E 7.47 3.95 0.00 1.80 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 2.09 2.12 0.00 5 W 6.76 4.74 0.00 3.36 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 6 Y 7.73 4.73 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 7 F 9.41 3.94 0.00 2.90 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 8 G 6.33 3.61 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 0.00 0.00 0.00 9 K 8.48 4.42 0.00 1.79 1.83 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.49 7.81 10 I 7.20 4.27 1.93 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 1.57 0.62 1.01 0.00 0.00 11 T 7.85 4.54 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 1.22 0.00 0.00 12 R 8.34 3.88 0.00 1.78 1.97 0.00 3.00 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 13 R 7.90 3.86 0.00 1.91 1.90 0.00 3.24 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 14 E 8.37 3.97 0.00 2.28 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 0.00 2.35 2.37 0.00 15 S 8.21 4.03 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 16 E 8.50 3.98 0.00 2.21 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 2.37 2.47 0.00 17 R 7.97 3.97 0.00 1.96 2.06 0.00 3.07 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 18 L 7.97 4.14 0.00 1.64 1.73 0.99 0.73 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 19 L 7.94 4.21 0.00 1.65 1.69 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.39 4.63 0.00 1.69 1.66 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.52 4.39 0.00 2.85 2.88 0.00 0.00 6.98 7.74 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 22 P 0.00 4.44 0.00 2.23 2.18 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 2.00 2.00 0.00 23 E 8.17 4.12 0.00 2.15 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 2.36 2.43 0.00 24 N 7.93 4.37 0.00 2.84 2.79 0.00 0.00 7.20 8.21 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 25 P 0.00 4.45 0.00 2.20 2.15 0.00 3.75 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 2.00 0.00 26 R 8.59 4.55 0.00 1.87 1.97 0.00 3.44 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 27 G 8.93 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 28 T 8.07 5.19 4.40 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 1.20 0.00 0.00 29 F 8.56 6.08 0.00 3.01 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 30 L 8.30 4.81 0.00 1.50 1.24 0.75 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.84 4.97 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 1.22 0.00 0.00 0.78 0.00 0.00 32 R 9.09 5.00 0.00 2.05 2.03 0.00 2.85 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 33 E 8.76 4.85 0.00 2.36 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 2.24 2.59 0.00 34 S 8.52 4.39 0.00 3.95 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 35 E 9.11 4.10 0.00 1.97 1.95 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 2.29 2.30 0.00 36 T 6.63 4.29 4.23 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 1.20 0.00 0.00 37 T 7.50 4.00 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 1.19 0.00 0.00 38 K 8.30 4.09 0.00 1.70 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 39 G 8.78 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 40 A 7.25 4.82 1.26 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 0.00 0.00 0.00 41 Y 8.77 5.49 0.00 2.97 3.09 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 0.00 42 C 9.16 5.22 0.00 2.92 2.86 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 43 L 9.15 4.79 0.00 1.68 1.56 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.85 5.06 0.00 3.76 3.58 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 45 V 8.74 4.90 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 1.13 0.00 0.00 0.94 0.00 0.00 46 S 8.98 4.89 0.00 3.97 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 47 D 9.21 5.15 0.00 2.82 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 48 F 8.96 5.29 0.00 3.03 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 49 D 8.58 4.84 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 50 N 8.68 3.90 0.00 3.10 2.90 0.00 0.00 7.16 8.56 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 51 A 8.54 3.69 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 52 K 7.83 4.09 0.00 1.71 2.04 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.40 7.81 53 G 7.75 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 54 L 8.14 4.70 0.00 1.43 1.48 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.27 5.16 0.00 2.76 2.83 0.00 0.00 6.24 7.39 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 56 V 8.20 4.66 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 0.72 0.00 0.00 0.91 0.00 0.00 57 K 9.00 4.48 0.00 1.48 1.42 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.68 7.81 58 H 8.59 5.16 0.00 2.92 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.93 4.62 0.00 2.85 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 60 K 8.74 4.74 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.59 7.81 61 I 8.84 4.49 2.07 0.00 0.00 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 1.24 0.56 1.14 0.00 0.00 62 R 8.53 4.79 0.00 0.67 1.41 0.00 3.08 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 63 K 8.20 4.46 0.00 1.59 1.68 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.28 7.81 64 L 8.81 4.28 0.00 1.97 1.72 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 D 9.02 4.41 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 66 S 8.79 4.58 0.00 3.84 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 67 G 7.71 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 68 G 8.54 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 0.00 0.00 0.00 69 F 9.80 6.27 0.00 3.13 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 70 Y 8.08 5.38 0.00 3.20 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 71 I 9.06 4.17 1.97 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.96 0.00 0.00 72 T 8.38 4.60 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 1.41 0.00 0.00 73 S 8.63 4.24 0.00 3.82 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 74 R 7.62 3.86 0.00 1.83 1.97 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 75 T 7.63 3.96 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 0.74 0.00 0.00 76 Q 7.64 4.83 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 77 F 8.89 4.96 0.00 3.27 2.90 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 78 S 9.14 4.17 0.00 3.97 4.03 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 79 S 7.55 4.76 0.00 3.97 4.03 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 80 L 7.35 3.64 0.00 1.46 1.53 0.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.92 4.13 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.15 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 82 Q 7.84 4.05 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 83 L 7.32 2.44 0.00 1.38 1.36 0.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.54 3.12 1.63 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 0.26 0.00 0.00 -0.05 0.00 0.00 85 A 7.70 3.93 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 86 Y 8.09 4.00 0.00 3.11 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.12 0.00 2.73 2.73 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 88 S 7.52 4.50 0.00 3.95 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 89 K 7.76 4.14 0.00 1.57 1.48 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.35 7.81 90 H 7.76 4.17 0.00 2.77 2.21 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.57 4.43 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 92 D 7.81 4.69 0.00 2.89 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 93 G 9.04 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.82 4.18 0.00 1.64 1.68 -0.25 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.71 3.95 0.00 3.36 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 96 H 6.92 4.43 0.00 3.04 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.90 4.01 0.00 1.87 1.72 0.00 3.18 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 98 L 8.52 4.24 0.00 1.30 0.77 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.52 4.33 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 1.17 0.00 0.00 100 N 7.87 5.18 0.00 2.86 2.66 0.00 0.00 6.59 7.73 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 0.00 101 V 8.43 3.34 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 0.82 0.00 0.00 0.95 0.00 0.00 102 C 8.55 4.16 0.00 2.89 2.60 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 0.00 103 P 0.00 4.37 0.00 2.10 2.01 0.00 3.74 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 2.04 2.21 0.00 104 T 8.62 4.20 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 1.21 0.00 0.00