NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5187 8.3044 120.3311 55.5325 33.4763 173.6802 2 L 4.4726 7.5045 119.7151 52.2260 44.9004 172.5970 3 M 3.7336 7.9391 120.8469 53.9658 33.4582 172.4662 4 P 4.4754 0.0000 0.0000 63.2146 31.9265 176.2919 5 R 4.2470 8.5244 118.1505 57.4379 31.0410 176.3668 6 R 4.7527 7.1665 113.5317 54.6711 33.7599 174.2566 7 M 4.4733 7.8022 113.9296 55.0088 35.4701 175.8272 8 K 3.9776 8.9235 122.4571 58.5438 32.7054 177.2101 9 Y 4.5519 7.6749 115.2704 55.7971 40.8827 175.4176 10 R 4.1129 8.9037 125.3955 58.2290 30.6258 176.5501 11 K 4.7564 7.8937 115.4157 54.4076 35.3925 175.1357 12 Q 4.6011 8.1834 118.5358 54.2787 31.6332 174.7502 13 Q 4.2042 8.4177 118.2021 55.8566 28.9629 176.2787 14 R 4.0480 8.1624 118.7199 57.4539 30.4977 179.5374 15 G 3.9933 8.2157 104.9020 45.0365 0.0000 171.8806 16 R 4.5459 7.9350 116.9397 54.1235 33.0447 174.1823 17 L 4.3323 8.2861 123.8746 53.9692 42.5468 176.3870 18 K 4.7411 8.2536 123.0083 54.2097 35.5831 176.0073 19 G 3.7624 8.3253 109.0078 46.4521 0.0000 172.7320 20 A 3.7278 8.6203 123.3752 53.3685 17.1456 176.3438 21 T 4.5569 8.5267 105.4175 63.4920 75.6762 173.8176 22 K 4.3516 9.0615 122.4614 56.0105 32.0444 175.4850 23 G 3.8986 7.9789 103.1131 46.9307 0.0000 171.7734 24 G 3.7278 7.9949 104.3078 46.9219 0.0000 173.8091 25 D 5.6025 8.3179 112.7819 52.1810 40.4805 175.3912 26 Y 5.3783 6.9523 116.5687 54.7989 42.4989 176.4203 27 V 3.3682 9.5191 119.8119 63.6525 30.3281 176.2129 28 A 4.1339 9.7693 124.6376 51.6531 18.1101 179.1022 29 F 4.2877 7.7104 109.7452 58.0572 42.0168 180.4896 30 G 3.9084 6.6293 118.7683 45.9108 0.0000 172.4764 31 D 4.8144 9.1480 118.2042 54.7885 43.7326 176.6247 32 Y 4.8031 8.2088 114.3447 56.1181 42.3708 174.9620 33 G 4.6261 9.0372 108.4175 44.6929 0.0000 170.6962 34 L 5.5810 9.0623 121.8212 53.0348 44.8371 175.5916 35 V 5.1287 9.1418 125.0137 59.6311 35.2465 174.5526 36 A 4.4222 8.5388 123.9866 52.1969 19.0206 178.1177 37 L 4.3191 8.6971 121.5959 55.5480 43.3817 176.9559 38 E 4.8931 8.0191 116.2400 53.6614 32.0881 174.5295 39 P 4.6911 0.0000 0.0000 63.1418 33.0736 175.5696 40 A 4.2378 8.2233 120.7184 51.9078 24.5318 174.5598 41 W 4.9013 8.9590 116.8503 55.4585 31.4001 175.5250 42 I 4.4421 8.2857 126.7305 59.9657 38.5063 176.6549 43 T 4.5087 8.4639 116.7132 60.8492 70.1482 175.5097 44 A 3.9940 8.4858 124.2097 55.1621 18.2048 179.8669 45 Q 3.9424 8.1443 115.7598 59.7822 28.2648 178.6100 46 Q 4.1874 7.8914 119.1296 59.2091 29.0568 178.9726 47 I 3.9208 7.8174 119.9840 64.1371 37.0014 177.6191 48 E 3.9070 9.0287 119.7799 59.8666 29.3347 179.1845 49 A 3.9474 8.8861 121.2231 55.9649 18.1990 178.8438 50 A 4.0225 8.5199 119.5633 53.9960 18.5078 179.7677 51 R 3.5882 7.6281 114.9368 59.9712 30.6673 177.9547 52 V 3.6242 8.4238 118.3790 64.3063 31.2313 177.0659 53 A 4.1269 7.7606 121.8301 55.9622 18.3863 178.7767 54 M 3.6529 8.3496 117.0680 58.4729 32.3896 178.2720 55 V 3.3776 8.0267 118.5795 65.3104 31.4272 178.4090 56 R 3.7569 7.9468 118.2306 59.0543 29.9949 177.5265 57 H 4.0968 7.8411 117.0387 58.1244 31.2160 175.4155 58 F 5.0573 7.5639 114.4475 56.3097 37.4458 175.2492 59 R 3.9320 7.6185 114.6160 58.0590 29.8646 176.7579 60 R 3.8702 8.8976 120.9913 57.1211 27.1118 176.6021 61 G 3.5376 7.7724 107.7503 43.7509 0.0000 176.2650 62 G 4.0483 7.6508 105.1715 44.3621 0.0000 172.1310 63 K 4.5863 8.4226 122.1877 54.7224 34.6550 176.1698 64 I 5.0619 8.3181 127.0091 59.6793 39.7513 174.8325 65 F 4.8823 9.5485 125.1084 55.6559 41.6369 174.6538 66 I 4.4259 8.5294 118.6887 60.0228 37.6140 175.7784 67 R 4.2674 8.6479 126.3870 56.3758 30.3214 176.7618 68 I 4.4584 7.3230 112.1087 58.8298 40.2175 175.0213 69 F 4.9185 8.3531 123.3273 55.8008 41.3887 172.5835 70 P 4.2662 0.0000 0.0000 63.3382 31.4928 175.0268 71 D 4.3310 7.7476 118.7288 52.9893 41.5064 175.2337 72 K 4.3688 7.7139 122.5311 54.1920 33.6815 173.7198 73 P 3.6698 0.0000 0.0000 63.2155 32.1021 175.2030 74 Y 4.5842 8.0628 126.2684 56.7551 39.9718 175.1656 75 T 4.6935 8.2108 123.3138 62.2703 70.9377 174.1326 76 K 4.0566 7.5006 119.4520 56.0560 35.7956 174.9006 77 K 4.1872 8.8404 127.1833 55.1125 32.8736 174.8144 78 P 4.3280 0.0000 0.0000 62.6028 31.8012 175.7617 79 L 4.1974 8.1382 120.6964 55.3618 43.3394 175.7840 80 E 3.8424 8.6650 120.8353 56.7253 26.6333 175.0277 81 V 4.4454 6.9772 115.2537 60.1790 34.8139 175.6388 82 R 4.2396 8.2798 121.7389 55.4316 31.0619 175.5229 83 M 4.2401 8.1705 119.2413 56.2846 32.1531 177.5575 84 G 3.7324 8.4668 106.0989 46.1829 0.0000 174.6147 85 K 3.9674 9.6626 120.1422 57.3404 30.0975 176.8535 86 G 3.8619 7.5481 106.3817 44.8445 0.0000 172.3260 87 K 4.4664 8.2477 123.8553 55.6780 33.1848 176.0148 88 G 4.1709 8.2810 105.6280 43.6070 0.0000 171.4705 89 N 4.7383 8.1347 116.5673 52.0333 40.5073 175.0373 90 V 3.8153 8.1349 119.9629 63.5290 32.0163 174.3358 91 E 4.3786 9.1074 124.3465 57.3921 30.9605 176.1703 92 G 4.0331 7.4342 108.7447 45.8419 0.0000 170.2163 93 Y 5.1146 8.6321 118.5434 56.7934 43.2152 174.5820 94 V 4.7522 8.2296 112.1730 59.9254 37.0855 173.8462 95 A 4.8178 8.5703 124.4208 49.9487 21.4951 176.0142 96 V 4.0331 8.5030 123.0992 62.9952 31.8991 175.0392 97 V 4.4025 8.5699 128.8671 61.3392 33.3267 174.8227 98 K 5.0044 8.3545 125.1477 53.4789 36.6086 173.8251 99 P 4.2929 0.0000 0.0000 64.6808 31.7955 177.0892 100 G 3.9737 9.3381 111.2232 45.0126 0.0000 172.6335 101 R 4.6150 7.6319 121.2405 54.8856 30.8235 175.5378 102 V 3.9393 8.6187 126.2792 62.8000 31.2518 175.6184 103 M 4.0079 8.8751 128.1893 57.9290 32.7283 176.6057 104 F 5.7532 8.1300 114.5918 55.2125 44.5895 172.8436 105 E 5.1425 8.7008 114.0818 55.9502 32.1640 174.9843 106 V 5.1838 8.7983 115.8376 60.0275 34.9900 174.6989 107 A 4.7402 8.6764 124.1327 51.0248 22.3597 174.6385 108 G 3.6556 9.6522 110.6892 44.5235 0.0000 172.6125 109 V 4.1123 6.8978 117.3957 60.9907 34.8843 172.8439 110 T 3.9210 7.9976 118.5749 61.6888 69.0328 174.3850 111 E 3.3838 8.7942 128.3851 59.6042 28.1049 178.6716 112 E 3.9163 8.2146 118.3920 59.6501 29.4599 178.8519 113 Q 4.1490 7.8434 116.9858 58.7145 29.1469 177.9451 114 A 3.9767 8.1054 122.1918 55.5581 17.3532 179.2663 115 M 4.2711 8.4557 115.5487 56.6831 31.9024 177.4410 116 E 4.2016 7.3056 117.2842 57.9444 30.9420 177.2633 117 A 3.7096 7.9837 121.0640 55.1786 18.2879 179.6137 118 L 3.8438 7.7247 116.8363 57.9543 41.5003 179.5675 119 R 3.8606 7.1114 117.7128 59.5030 30.1165 178.4556 120 I 3.8800 7.8192 119.2573 64.2181 37.1153 177.7518 121 A 3.9506 7.8757 121.8686 55.5772 17.6719 179.7889 122 G 3.7672 8.2264 103.7259 48.5180 0.0000 175.2815 123 H 4.1412 8.5702 117.7120 58.4378 28.8624 177.0249 124 K 4.1692 8.1727 119.7609 58.6304 32.2645 177.7056 125 L 4.3260 7.1598 118.4681 53.8279 42.0324 175.3133 126 P 4.5356 0.0000 0.0000 63.5691 31.9742 175.6057 127 I 4.6737 7.2510 111.8543 58.7430 40.7925 175.3685 128 K 4.4119 8.3441 122.2369 56.7640 33.0175 176.4077 129 T 5.2029 8.3652 112.7380 59.9766 72.5082 172.5719 130 K 4.7179 9.0392 122.7280 54.7060 36.0348 174.7534 131 I 4.9712 8.3925 125.5325 60.0288 38.6516 175.5713 132 V 4.2590 8.5764 120.7952 61.3394 34.3162 178.0513 133 R 3.8217 8.6599 122.9599 56.7617 28.2218 178.1299 134 R 4.0116 9.1677 121.3446 57.1919 37.1997 175.1461 135 D 3.9397 8.7469 111.0668 56.6811 38.9997 178.2528 136 A 4.5640 9.1855 117.5764 52.0676 18.8979 178.8183 137 Y 4.5258 8.0358 115.0334 59.7756 37.8350 175.2161 138 D 4.4643 7.9303 121.1278 54.0539 41.5689 172.8618 139 E 3.6774 9.0869 129.2736 56.7370 27.3025 174.7308 140 A 4.3182 7.7407 124.7571 51.3716 20.3816 176.0061 141 Q 4.2637 7.8502 121.5002 55.3157 29.0302 176.1553 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 8.30 4.52 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 2 L 7.50 4.47 0.00 1.69 1.55 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.94 3.73 0.00 1.88 1.06 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 2.04 2.19 0.00 4 P 0.00 4.48 0.00 2.31 1.98 0.00 2.48 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 5 R 8.52 4.25 0.00 1.82 2.01 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 6 R 7.17 4.75 0.00 1.75 1.82 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 M 7.80 4.47 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 8 K 8.92 3.98 0.00 1.96 1.60 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 Y 7.67 4.55 0.00 2.93 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 10 R 8.90 4.11 0.00 1.78 1.98 0.00 3.19 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 1.63 1.68 0.00 11 K 7.89 4.76 0.00 1.76 1.65 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.39 7.81 12 Q 8.18 4.60 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 13 Q 8.42 4.20 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 14 R 8.16 4.05 0.00 1.87 2.05 0.00 3.36 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 15 G 8.22 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 0.00 0.00 0.00 16 R 7.93 4.55 0.00 1.68 1.73 0.00 3.19 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 17 L 8.29 4.33 0.00 1.59 1.55 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.25 4.74 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 19 G 8.33 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 20 A 8.62 3.73 1.34 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 0.00 0.00 21 T 8.53 4.56 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 1.32 0.00 0.00 22 K 9.06 4.35 0.00 1.89 2.07 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.50 7.81 23 G 7.98 3.90 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 0.00 24 G 7.99 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 25 D 8.32 5.60 0.00 2.90 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 26 Y 6.95 5.38 0.00 3.31 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 27 V 9.52 3.37 2.02 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 0.74 0.00 0.00 0.14 0.00 0.00 28 A 9.77 4.13 1.70 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 29 F 7.71 4.29 0.00 2.66 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 0.00 0.00 0.00 0.00 30 G 6.63 3.91 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 0.00 0.00 0.00 31 D 9.15 4.81 0.00 2.91 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 32 Y 8.21 4.80 0.00 2.89 2.84 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 33 G 9.04 4.63 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 34 L 9.06 5.58 0.00 1.84 1.72 1.00 1.33 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 35 V 9.14 5.13 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 0.78 0.00 0.00 1.05 0.00 0.00 36 A 8.54 4.42 1.29 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 0.00 0.00 0.00 37 L 8.70 4.32 0.00 1.66 1.73 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.02 4.89 0.00 1.82 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 2.20 2.27 0.00 39 P 0.00 4.69 0.00 2.04 2.03 0.00 3.79 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 1.93 1.94 0.00 40 A 8.22 4.24 1.23 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 0.00 0.00 41 W 8.96 4.90 0.00 3.12 2.85 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 42 I 8.29 4.44 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.94 0.00 0.00 43 T 8.46 4.51 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 1.16 0.00 0.00 44 A 8.49 3.99 1.39 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 0.00 0.00 45 Q 8.14 3.94 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 46 Q 7.89 4.19 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 47 I 7.82 3.92 2.13 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 1.46 0.99 1.09 0.00 0.00 48 E 9.03 3.91 0.00 2.07 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 0.00 2.34 2.43 0.00 49 A 8.89 3.95 1.41 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 0.00 0.00 50 A 8.52 4.02 1.23 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 0.00 0.00 51 R 7.63 3.59 0.00 2.00 2.12 0.00 3.23 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 1.71 1.79 0.00 52 V 8.42 3.62 2.27 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 0.77 0.00 0.00 1.00 0.00 0.00 53 A 7.76 4.13 1.29 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 0.00 0.00 0.00 54 M 8.35 3.65 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 55 V 8.03 3.38 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 0.70 0.00 0.00 1.03 0.00 0.00 56 R 7.95 3.76 0.00 1.72 1.99 0.00 3.33 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 57 H 7.84 4.10 0.00 3.03 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.56 5.06 0.00 3.08 3.27 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 59 R 7.62 3.93 0.00 1.98 2.03 0.00 3.14 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 60 R 8.90 3.87 0.00 2.01 2.12 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 61 G 7.77 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.65 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 0.00 0.00 0.00 63 K 8.42 4.59 0.00 1.80 1.60 0.00 1.39 0.00 0.00 0.67 0.00 0.00 2.56 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.83 1.17 7.81 64 I 8.32 5.06 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 1.65 0.98 1.05 0.00 0.00 65 F 9.55 4.88 0.00 2.76 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 66 I 8.53 4.43 1.88 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 1.39 0.56 1.21 0.00 0.00 67 R 8.65 4.27 0.00 1.67 1.98 0.00 3.06 0.00 0.00 3.08 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.00 68 I 7.32 4.46 1.78 0.00 0.00 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 0.95 0.55 0.70 0.00 0.00 69 F 8.35 4.92 0.00 2.76 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 70 P 0.00 4.27 0.00 2.02 1.90 0.00 3.95 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.87 0.00 71 D 7.75 4.33 0.00 2.51 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 0.00 0.00 0.00 0.00 72 K 7.71 4.37 0.00 1.68 1.43 0.00 1.55 0.00 0.00 0.96 0.00 0.00 3.40 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 1.26 7.81 73 P 0.00 3.67 0.00 1.87 1.87 0.00 3.68 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 2.07 2.25 0.00 74 Y 8.06 4.58 0.00 2.71 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 75 T 8.21 4.69 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 1.20 0.00 0.00 76 K 7.50 4.06 0.00 1.29 1.35 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 1.19 7.81 77 K 8.84 4.19 0.00 1.76 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 P 0.00 4.33 0.00 2.02 2.00 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 79 L 8.14 4.20 0.00 1.59 1.54 0.92 0.95 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 80 E 8.67 3.84 0.00 2.11 1.94 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 2.22 2.27 0.00 81 V 6.98 4.45 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 0.72 0.00 0.00 0.92 0.00 0.00 82 R 8.28 4.24 0.00 1.82 1.93 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 83 M 8.17 4.24 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 84 G 8.47 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 85 K 9.66 3.97 0.00 1.91 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.36 7.81 86 G 7.55 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 87 K 8.25 4.47 0.00 1.72 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 88 G 8.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.74 0.00 2.68 2.71 0.00 0.00 6.45 7.68 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 90 V 8.13 3.82 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 0.47 0.00 0.00 0.87 0.00 0.00 91 E 9.11 4.38 0.00 1.59 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 0.00 2.02 1.97 0.00 92 G 7.43 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 0.00 0.00 0.00 93 Y 8.63 5.11 0.00 2.83 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 94 V 8.23 4.75 1.81 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 0.21 0.00 0.00 -0.16 0.00 0.00 95 A 8.57 4.82 1.15 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 0.00 0.00 96 V 8.50 4.03 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 0.93 0.00 0.00 1.15 0.00 0.00 97 V 8.57 4.40 2.12 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 0.93 0.00 0.00 0.90 0.00 0.00 98 K 8.35 5.00 0.00 1.71 1.75 0.00 1.76 0.00 0.00 2.16 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 P 0.00 4.29 0.00 2.04 2.19 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 100 G 9.34 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 0.00 101 R 7.63 4.61 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 102 V 8.62 3.94 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 0.82 0.00 0.00 0.96 0.00 0.00 103 M 8.88 4.01 0.00 1.56 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.43 0.00 104 F 8.13 5.75 0.00 2.92 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 0.00 105 E 8.70 5.14 0.00 2.13 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 2.12 1.95 0.00 106 V 8.80 5.18 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 1.02 0.00 0.00 1.11 0.00 0.00 107 A 8.68 4.74 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 0.00 108 G 9.65 3.66 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 0.00 0.00 0.00 109 V 6.90 4.11 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 0.59 0.00 0.00 0.49 0.00 0.00 110 T 8.00 3.92 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 1.21 0.00 0.00 111 E 8.79 3.38 0.00 2.10 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 2.39 2.51 0.00 112 E 8.21 3.92 0.00 2.06 1.94 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 2.39 2.43 0.00 113 Q 7.84 4.15 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 114 A 8.11 3.98 0.81 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 0.00 115 M 8.46 4.27 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 116 E 7.31 4.20 0.00 2.19 1.90 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 2.27 2.27 0.00 117 A 7.98 3.71 1.15 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 0.00 0.00 118 L 7.72 3.84 0.00 1.82 1.74 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.11 3.86 0.00 2.16 2.10 0.00 3.28 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 120 I 7.82 3.88 1.88 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 1.68 0.85 0.87 0.00 0.00 121 A 7.88 3.95 1.15 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 0.00 0.00 122 G 8.23 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 0.00 123 H 8.57 4.14 0.00 3.34 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.17 4.17 0.00 1.80 1.88 0.00 1.71 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 1.45 1.52 7.81 125 L 7.16 4.33 0.00 1.67 1.65 1.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.54 0.00 2.19 2.19 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 127 I 7.25 4.67 1.88 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 1.38 0.76 0.93 0.00 0.00 128 K 8.34 4.41 0.00 1.88 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.39 7.81 129 T 8.37 5.20 4.30 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 1.27 0.00 0.00 130 K 9.04 4.72 0.00 1.84 1.68 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.41 7.81 131 I 8.39 4.97 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 1.39 0.79 1.05 0.00 0.00 132 V 8.58 4.26 2.21 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 0.90 0.00 0.00 0.96 0.00 0.00 133 R 8.66 3.82 0.00 1.71 1.36 0.00 3.19 0.00 0.00 3.07 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.54 0.00 134 R 9.17 4.01 0.00 1.49 1.77 0.00 3.30 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.38 0.00 135 D 8.75 3.94 0.00 2.89 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 0.00 136 A 9.19 4.56 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.04 4.53 0.00 3.04 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 0.00 138 D 7.93 4.46 0.00 2.71 2.59 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 0.00 139 E 9.09 3.68 0.00 2.06 1.94 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 2.17 2.19 0.00 140 A 7.74 4.32 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.85 4.26 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00