NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4582 8.3193 115.4125 58.2138 64.2693 172.9631 2 K 4.0356 8.3525 118.1579 57.7466 33.3692 176.1561 3 Q 4.1203 8.6858 121.7667 54.9403 30.4431 175.9287 4 P 4.2419 0.0000 0.0000 65.9492 31.4718 178.2848 5 D 4.3525 8.0605 116.8167 57.5333 40.8268 179.0077 6 K 4.0567 7.9920 118.3128 59.2357 31.7833 179.4134 7 Q 3.9635 7.9989 118.4866 59.2019 28.6771 178.9755 8 R 3.9290 8.1425 119.0865 58.9844 30.0572 179.1654 9 K 3.9300 8.1551 119.7534 59.5315 31.7722 179.0726 10 S 4.2457 8.2717 113.9808 60.8206 62.6480 176.2387 11 Q 4.2402 7.4133 121.2258 58.6956 28.8800 178.0178 12 R 4.1366 8.1567 117.8132 57.9858 30.1918 177.5967 13 R 4.4450 7.5964 115.1097 55.3454 30.7988 176.1290 14 A 4.0476 7.2540 122.4646 51.5334 18.9897 176.4073 15 P 4.4639 0.0000 0.0000 62.1732 32.5276 177.3329 16 L 3.9157 8.7957 120.7624 58.6667 41.2786 179.6151 17 H 4.4362 8.2500 112.1277 57.6023 28.8053 176.1901 18 E 4.2690 7.7238 119.8183 56.9049 30.0830 177.3196 19 R 4.2242 7.5949 118.1342 57.3810 30.4240 177.9751 20 H 4.2323 7.9626 117.1180 58.5501 28.6164 177.0460 21 K 4.2076 7.9794 118.0028 58.6820 32.6677 177.8504 22 Q 4.4424 7.8005 118.2214 56.1485 29.4912 175.7426 23 V 4.5613 7.8475 114.5921 61.0891 32.8927 175.4037 24 R 4.9952 8.1888 117.9785 55.1170 31.8610 176.0072 25 A 4.8123 8.9196 123.0444 50.1058 23.2807 175.5535 26 T 4.3837 8.4319 113.9791 62.2475 68.7305 173.5687 27 L 4.9532 8.6563 127.6176 53.4500 43.5875 176.5725 28 S 4.3982 8.4432 115.8645 58.1533 64.4355 175.2846 29 A 3.9871 8.7941 121.2338 55.4748 17.9712 179.3816 30 D 4.2893 8.0619 116.6359 57.7560 41.0312 178.8932 31 L 4.1663 7.7436 119.2837 57.9931 41.7027 179.9592 32 R 4.4171 8.0917 119.3041 58.8218 29.8024 178.7471 33 E 3.9508 7.8543 117.5283 59.0763 29.6903 178.1534 34 E 3.8969 8.3526 118.9945 58.7029 29.7744 176.9972 35 Y 4.5205 7.8519 112.8188 56.7102 38.9859 175.7880 36 G 4.0701 7.9821 107.5140 46.1430 0.0000 173.4805 37 Q 4.6191 7.3587 114.8262 54.4788 33.6505 176.0222 38 R 4.3517 8.5967 120.3847 58.2614 31.7053 175.1972 39 N 5.6181 7.8969 113.9867 51.7540 41.0253 173.4048 40 V 5.0612 8.7065 117.6136 60.0059 35.6661 173.8336 41 R 4.5020 8.3687 121.8423 55.2217 30.3466 176.1089 42 V 3.8309 8.1968 127.4686 63.5507 32.1057 175.1331 43 N 4.9980 9.6637 124.5441 51.2722 41.2107 175.3427 44 A 4.2545 8.5792 120.0544 52.9303 17.8529 178.5077 45 G 4.3009 7.8135 106.1495 46.7200 0.0000 174.1808 46 D 4.8793 8.2076 119.5501 55.0271 42.4306 175.5232 47 T 5.1560 8.9843 117.2435 62.0824 71.5440 174.1065 48 V 5.0680 8.9893 123.7751 60.1274 35.8271 173.4306 49 E 5.1649 9.2558 119.9665 54.3997 32.3200 175.1711 50 V 4.1403 8.9826 125.0674 62.9734 32.2400 176.0009 51 L 4.4953 8.8439 127.2388 55.1428 42.1358 177.3655 52 R 4.4842 8.0664 115.1264 57.6047 33.9391 177.0477 53 G 4.1783 7.9130 106.0055 45.5404 0.0000 173.5088 54 D 4.4662 8.9274 119.2720 55.8209 41.5336 176.8306 55 F 4.5498 8.2042 117.0809 56.7046 39.3753 175.0596 56 A 4.3422 7.3249 124.3293 54.0477 18.3967 178.3511 57 G 4.0891 9.6262 112.3394 45.1459 0.0000 173.8314 58 E 4.5561 8.1799 119.0729 55.7424 31.2022 175.4907 59 E 5.1847 8.3406 120.5190 54.7858 33.5261 175.0654 60 G 3.9896 8.2624 107.8207 45.9950 0.0000 171.7860 61 E 4.8326 8.0618 121.0709 55.1339 31.2258 175.5218 62 V 4.1198 8.6015 127.7031 63.3892 31.4273 175.6404 63 I 4.3184 8.8775 128.7210 62.4465 38.8105 175.5733 64 N 4.8456 7.7615 118.7604 52.2494 42.4533 173.4537 65 V 4.6611 8.2982 124.5547 61.2822 34.2648 174.3106 66 D 4.6259 9.0861 130.0985 52.7351 41.5789 177.0650 67 L 3.9751 8.5435 127.6801 57.8001 42.1568 179.0932 68 D 4.2531 8.3168 116.9888 57.3400 41.0051 177.1965 69 K 4.1500 8.3663 114.5563 55.5570 32.7734 176.4417 70 A 3.7745 7.4620 121.1378 53.0665 16.5650 176.2455 71 V 4.8717 7.8702 119.9643 61.5053 36.4652 174.5218 72 I 5.1688 8.5835 116.2541 59.4435 41.4752 173.6323 73 H 5.2021 9.3310 120.8979 54.1555 31.1722 173.6912 74 V 4.7189 8.0387 122.4987 60.4413 34.3919 174.4304 75 E 4.0928 8.8185 128.7314 58.1015 29.7486 177.0912 76 D 4.6681 8.8502 124.1071 54.5969 39.2125 175.0547 77 V 3.7772 7.4114 120.5131 61.4832 29.8389 174.1771 78 T 5.1826 7.8728 114.5207 59.4241 72.6757 172.8225 79 L 4.9602 9.5728 121.2008 52.9193 45.9389 175.6173 80 E 4.8582 8.6653 122.9744 54.5596 30.7613 176.0715 81 K 4.3552 8.9214 127.6855 56.2167 33.2373 178.2462 82 T 3.9261 8.4001 116.1091 66.9919 68.2993 176.0612 83 D 4.4327 7.9480 118.4512 54.2587 39.6338 176.3094 84 G 4.0653 7.7831 108.3809 45.4577 0.0000 174.0231 85 E 4.0416 9.5406 121.7569 56.6703 30.9802 175.5706 86 E 5.0316 8.7243 125.7110 54.8203 31.0941 175.2451 87 V 4.6577 8.6083 121.0592 58.5431 34.9412 173.8908 88 P 4.4336 0.0000 0.0000 63.0257 32.2234 175.9837 89 R 4.3311 8.1430 123.0832 53.9307 30.5420 173.8189 90 P 4.4389 0.0000 0.0000 63.3012 32.2231 175.8959 91 L 4.8364 8.6230 121.8527 52.8723 45.9286 175.3459 92 D 4.9278 8.5284 121.7155 53.3923 42.3702 177.5607 93 T 3.9984 8.4341 115.9359 64.1812 69.0889 176.2476 94 S 4.1185 8.6110 116.9956 60.8061 62.6409 174.0900 95 N 4.9854 8.2357 116.7227 52.8155 39.3984 174.5923 96 V 4.9559 7.8414 118.0455 61.1137 35.4030 174.7844 97 R 4.7781 8.6144 123.9253 54.4666 33.6684 174.1146 98 V 4.3960 8.7166 127.3842 63.1587 31.9104 176.1668 99 T 4.5123 8.6113 118.1651 62.2440 70.7710 174.4182 100 D 4.7871 7.8676 121.3097 52.7188 44.7898 173.8400 101 L 5.0520 8.6055 124.8689 53.2887 44.3336 175.7643 102 D 4.6465 9.2663 122.7615 52.5931 41.9974 176.5055 103 L 4.7975 8.0447 128.5015 54.4776 42.4248 178.9962 104 E 3.7169 8.3472 120.5041 58.3931 29.8675 177.3494 105 D 4.7434 7.4672 119.1017 52.5295 42.6953 176.3497 106 E 3.9607 8.7866 126.8663 59.5995 29.5474 179.4725 107 K 3.9212 8.1668 117.7292 59.4443 32.1526 179.1694 108 R 3.7982 7.8332 118.9499 59.3158 30.0001 177.9671 109 E 3.8282 8.1469 118.8298 59.2961 29.5778 178.5443 110 A 3.9853 8.2912 121.0210 55.1972 18.2239 179.3889 111 R 3.8194 7.8743 115.8824 59.6002 30.1883 178.3681 112 L 4.2319 7.7440 117.1871 58.0744 41.7355 179.1209 113 E 4.2936 8.2257 117.2749 58.4610 29.7496 178.2534 114 S 4.3267 7.7552 112.8209 58.5511 63.2939 173.8399 115 E 4.3465 8.6124 118.9383 58.3421 30.4186 177.6402 116 D 4.3178 8.0049 116.9020 55.5246 41.1923 175.2574 117 D 4.8663 7.5556 117.6496 52.2396 44.5522 174.2264 118 S 5.5532 8.7537 116.4490 55.5646 66.0887 173.9359 119 A 4.2671 8.5387 123.3443 52.4359 19.0411 176.1763 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 S 8.32 4.46 0.00 3.99 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 2 K 8.35 4.04 0.00 1.96 1.97 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.52 7.81 3 Q 8.69 4.12 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 4 P 0.00 4.24 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 5 D 8.06 4.35 0.00 2.76 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 6 K 7.99 4.06 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 7 Q 8.00 3.96 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 8 R 8.14 3.93 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 K 8.16 3.93 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 S 8.27 4.25 0.00 4.09 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 0.00 11 Q 7.41 4.24 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 12 R 8.16 4.14 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 13 R 7.60 4.45 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 14 A 7.25 4.05 1.33 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 0.00 0.00 15 P 0.00 4.46 0.00 2.20 2.02 0.00 3.72 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 2.13 2.11 0.00 16 L 8.80 3.92 0.00 1.69 1.73 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.25 4.44 0.00 3.36 3.44 0.00 5.51 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 18 E 7.72 4.27 0.00 1.99 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 2.18 1.96 0.00 19 R 7.59 4.22 0.00 1.97 1.89 0.00 3.09 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 20 H 7.96 4.23 0.00 3.17 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.98 4.21 0.00 1.90 1.94 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.52 7.81 22 Q 7.80 4.44 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.45 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 23 V 7.85 4.56 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 0.87 0.00 0.00 1.02 0.00 0.00 24 R 8.19 5.00 0.00 1.69 1.90 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 25 A 8.92 4.81 1.25 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 0.00 0.00 26 T 8.43 4.38 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 27 L 8.66 4.95 0.00 1.54 1.61 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.44 4.40 0.00 3.95 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 29 A 8.79 3.99 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 30 D 8.06 4.29 0.00 2.72 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 31 L 7.74 4.17 0.00 1.70 1.87 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.09 4.42 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 33 E 7.85 3.95 0.00 1.96 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 2.30 2.32 0.00 34 E 8.35 3.90 0.00 1.92 1.79 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 1.47 1.99 0.00 35 Y 7.85 4.52 0.00 2.97 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 36 G 7.98 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.36 4.62 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 38 R 8.60 4.35 0.00 1.90 1.91 0.00 3.16 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 39 N 7.90 5.62 0.00 2.79 2.75 0.00 0.00 5.79 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 40 V 8.71 5.06 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 1.16 0.00 0.00 0.85 0.00 0.00 41 R 8.37 4.50 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 V 8.20 3.83 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 0.78 0.00 0.00 0.96 0.00 0.00 43 N 9.66 5.00 0.00 2.84 2.65 0.00 0.00 6.56 7.26 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 44 A 8.58 4.25 1.25 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 0.00 0.00 45 G 7.81 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 0.00 0.00 0.00 0.00 46 D 8.21 4.88 0.00 2.60 2.71 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 47 T 8.98 5.16 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 48 V 8.99 5.07 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 0.78 0.00 0.00 0.94 0.00 0.00 49 E 9.26 5.16 0.00 1.98 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 0.00 2.33 2.22 0.00 50 V 8.98 4.14 2.34 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 1.03 0.00 0.00 0.95 0.00 0.00 51 L 8.84 4.50 0.00 1.57 1.69 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.07 4.48 0.00 1.82 1.91 0.00 3.40 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 53 G 7.91 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 0.00 0.00 0.00 0.00 54 D 8.93 4.47 0.00 2.60 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 0.00 0.00 0.00 0.00 55 F 8.20 4.55 0.00 3.11 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 56 A 7.32 4.34 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 57 G 9.63 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 0.00 0.00 0.00 0.00 58 E 8.18 4.56 0.00 2.20 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 2.35 2.35 0.00 59 E 8.34 5.18 0.00 1.81 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 2.21 2.29 0.00 60 G 8.26 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 61 E 8.06 4.83 0.00 2.07 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 0.00 2.34 2.57 0.00 62 V 8.60 4.12 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 0.82 0.00 0.00 0.95 0.00 0.00 63 I 8.88 4.32 1.88 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 1.29 0.99 0.91 0.00 0.00 64 N 7.76 4.85 0.00 2.72 2.41 0.00 0.00 6.62 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 65 V 8.30 4.66 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 0.84 0.00 0.00 0.92 0.00 0.00 66 D 9.09 4.63 0.00 2.68 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 0.00 0.00 0.00 0.00 67 L 8.54 3.98 0.00 1.71 1.64 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.32 4.25 0.00 2.61 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 69 K 8.37 4.15 0.00 1.80 1.82 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.37 7.81 70 A 7.46 3.77 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 71 V 7.87 4.87 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 1.06 0.00 0.00 0.97 0.00 0.00 72 I 8.58 5.17 1.94 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 1.39 0.71 0.90 0.00 0.00 73 H 9.33 5.20 0.00 3.11 3.21 0.00 5.76 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 74 V 8.04 4.72 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 0.99 0.00 0.00 0.89 0.00 0.00 75 E 8.82 4.09 0.00 2.01 1.86 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 2.33 2.30 0.00 76 D 8.85 4.67 0.00 2.92 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 77 V 7.41 3.78 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 -0.12 0.00 0.00 0.82 0.00 0.00 78 T 7.87 5.18 4.39 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 1.19 0.00 0.00 79 L 9.57 4.96 0.00 1.46 1.58 0.95 1.03 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 80 E 8.67 4.86 0.00 1.99 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 2.22 2.48 0.00 81 K 8.92 4.36 0.00 1.98 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 82 T 8.40 3.93 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 83 D 7.95 4.43 0.00 2.76 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 84 G 7.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.54 4.04 0.00 1.95 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 2.32 2.28 0.00 86 E 8.72 5.03 0.00 2.00 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 2.20 2.45 0.00 87 V 8.61 4.66 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 0.77 0.00 0.00 0.96 0.00 0.00 88 P 0.00 4.43 0.00 1.70 1.97 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 89 R 8.14 4.33 0.00 1.74 1.56 0.00 3.31 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 90 P 0.00 4.44 0.00 1.94 1.98 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 91 L 8.62 4.84 0.00 1.52 1.47 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.53 4.93 0.00 2.67 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 93 T 8.43 4.00 4.29 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 1.24 0.00 0.00 94 S 8.61 4.12 0.00 3.81 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 95 N 8.24 4.99 0.00 2.71 2.80 0.00 0.00 6.23 7.79 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 96 V 7.84 4.96 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 0.74 0.00 0.00 0.93 0.00 0.00 97 R 8.61 4.78 0.00 1.90 1.71 0.00 3.36 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 98 V 8.72 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 0.91 0.00 0.00 0.92 0.00 0.00 99 T 8.61 4.51 4.26 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 1.28 0.00 0.00 100 D 7.87 4.79 0.00 2.70 2.49 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 0.00 101 L 8.61 5.05 0.00 1.52 1.47 0.73 0.99 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 0.00 102 D 9.27 4.65 0.00 2.57 2.54 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 0.00 103 L 8.04 4.80 0.00 1.74 1.62 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.35 3.72 0.00 1.97 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 2.34 2.46 0.00 105 D 7.47 4.74 0.00 2.58 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 0.00 106 E 8.79 3.96 0.00 2.04 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 2.40 2.41 0.00 107 K 8.17 3.92 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 108 R 7.83 3.80 0.00 1.79 1.88 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 109 E 8.15 3.83 0.00 2.08 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 2.35 2.39 0.00 110 A 8.29 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 0.00 111 R 7.87 3.82 0.00 1.99 2.11 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 112 L 7.74 4.23 0.00 1.68 1.38 0.39 0.68 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 0.00 113 E 8.23 4.29 0.00 2.19 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 0.00 2.43 2.60 0.00 114 S 7.76 4.33 0.00 3.96 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 0.00 115 E 8.61 4.35 0.00 2.18 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 2.31 2.32 0.00 116 D 8.00 4.32 0.00 2.70 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 0.00 117 D 7.56 4.87 0.00 2.48 2.46 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 0.00 118 S 8.75 5.55 0.00 3.97 3.79 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 0.00 119 A 8.54 4.27 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