NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3936 8.0544 120.6551 62.6140 32.8435 174.3647 3 K 4.0532 8.7102 130.8552 55.1207 33.2228 174.0045 4 Q 4.5328 9.5255 130.8504 55.9596 30.2166 174.2232 5 I 4.4771 8.6378 128.0383 59.8183 38.4524 175.5453 6 E 4.7776 9.1941 123.8012 54.8584 31.6154 175.9016 7 S 4.6883 7.4696 112.9708 55.7264 67.4967 174.7887 8 K 4.1159 8.6301 121.4946 59.7019 31.7033 179.7258 9 T 3.9540 7.8766 109.5493 64.6940 69.1721 176.7031 10 A 4.0743 8.0513 123.4760 54.5816 17.9271 179.1367 11 F 4.4658 8.4328 119.7978 61.6241 39.4568 177.3600 12 Q 3.6728 8.1150 117.5193 58.8810 28.5146 179.6989 13 E 3.9738 8.1006 119.8419 59.1630 29.7269 178.5393 14 A 3.9952 7.6525 118.8934 54.8159 18.5928 179.4833 15 L 3.9018 7.4092 117.4123 58.0037 41.5037 178.8649 16 D 4.3401 7.2913 115.9034 57.7258 41.1103 179.0555 17 A 4.1576 8.2169 119.3118 53.7692 18.2948 178.6950 18 A 4.0276 8.1655 119.2601 51.1232 18.6672 178.9436 19 G 3.9311 7.9197 106.2769 47.0461 0.0000 176.8159 20 D 4.6453 8.8756 125.1597 54.4573 41.4374 176.7529 21 K 4.0026 7.4801 118.7513 56.3908 32.7440 176.4119 22 L 4.3586 8.4514 123.9192 55.3366 43.7062 175.5331 23 V 4.8174 8.9701 124.9152 61.1074 34.4517 174.1425 24 V 4.4826 8.6703 127.9450 60.9924 34.0855 174.3616 25 V 4.6136 8.7089 127.6568 61.0838 34.0580 173.9070 26 D 4.0282 8.4790 129.4567 53.2358 42.1046 175.2133 27 F 4.7521 8.7707 127.2939 56.4404 40.1741 175.3750 28 S 4.8041 8.9386 118.1054 56.3025 66.9834 172.5743 29 A 4.6810 7.7800 119.8340 50.2128 21.7832 177.5535 30 T 3.8262 8.3356 109.9265 63.2558 69.4230 175.5858 31 W 4.5178 7.1537 117.1464 56.6675 28.9725 175.8887 32 C 4.4782 7.1200 121.4981 58.0682 31.6644 173.5684 33 G 3.7191 8.7405 115.5233 47.8168 0.0000 173.0114 34 P 4.3029 0.0000 0.0000 65.0326 31.4383 178.9745 35 S 4.0570 7.8709 113.5850 61.5398 62.5925 176.6745 36 K 3.9774 7.9877 120.1706 59.5416 31.8266 178.7724 37 M 4.1860 8.0446 117.6758 58.4436 32.5466 177.4501 38 I 4.2483 7.8643 116.7915 61.4225 38.3763 177.0162 39 K 3.9704 7.9687 120.8773 60.0031 32.0001 176.6035 40 P 4.5167 0.0000 0.0000 65.1304 31.4005 178.0824 41 F 4.2651 8.3574 120.8660 61.2980 39.2444 176.4641 42 F 4.1877 8.7401 119.6717 61.5633 39.4481 176.3468 43 H 4.2188 8.3820 117.7407 59.3230 29.7455 176.9874 44 S 3.9155 8.2103 115.2555 61.5615 62.0609 176.1415 45 L 3.8345 7.7409 122.0195 57.6758 39.8411 179.6431 46 S 2.7900 7.0306 113.7900 60.3915 62.6529 176.3143 47 E 4.0310 7.5673 121.5430 58.3649 29.1118 178.6980 48 K 4.0849 6.9171 117.5797 58.2223 34.0091 178.1136 49 Y 4.3775 8.0702 118.8511 56.4453 34.8402 177.0520 50 S 4.1340 7.7858 113.9685 60.6042 63.6213 175.1135 51 N 4.7701 8.1467 118.0121 53.2754 38.9465 173.8137 52 V 4.6667 9.4753 116.6211 61.5723 34.3644 174.8571 53 I 4.3713 8.7061 128.7757 60.6362 38.6400 174.5908 54 F 5.1089 9.1091 126.1601 55.7648 41.0962 174.8385 55 L 5.3779 9.1557 123.5270 52.8871 45.6650 175.1287 56 E 4.8019 9.1563 121.5381 54.3503 33.4328 174.4055 57 V 4.2745 8.0800 126.3634 60.8848 34.0898 173.7090 58 D 4.9095 8.3883 128.4246 53.6258 41.4478 177.2737 59 V 3.6924 8.7777 120.2065 64.1419 32.1817 178.7045 60 D 4.4325 8.6479 120.5365 57.2507 41.1103 177.4622 61 D 4.5323 8.5394 117.0537 57.1469 41.6406 177.3002 62 S 4.7272 8.2298 113.7942 56.6450 63.8112 175.2340 63 Q 4.2047 7.9509 124.0215 58.8408 29.0878 176.8398 64 D 4.4697 8.0639 119.6563 57.0942 41.0122 178.6918 65 V 3.6127 7.7609 118.1777 65.9495 31.6290 177.7536 66 A 4.0829 8.0898 120.5956 55.1637 18.2237 179.5525 67 S 3.9793 8.6619 111.9340 61.6222 62.3190 175.9281 68 E 3.9960 8.2615 120.8134 59.2427 29.4141 178.1851 69 S 4.4445 7.8137 112.1523 57.7751 63.5912 173.6231 70 E 3.6151 7.8515 120.2996 57.2672 27.2098 174.9437 71 V 3.9817 7.6215 118.5666 61.4211 31.9976 175.1071 72 K 4.6201 8.4901 124.6570 55.5893 34.1863 176.3305 73 S 4.8579 7.9107 114.3360 56.7377 65.7631 173.1337 74 M 4.7997 8.2298 122.7357 52.4731 35.4237 173.5831 75 P 4.4887 0.0000 0.0000 63.0320 33.2239 174.9899 76 T 4.6939 8.1849 118.2262 61.7208 71.8855 172.8458 77 F 4.9599 8.4592 124.6211 55.7294 41.4010 174.7572 78 Q 5.0918 8.9087 122.2739 54.0207 32.6153 174.5022 79 F 5.3390 9.0428 120.6976 55.7958 42.5743 174.2837 80 F 5.3652 9.3448 120.8913 55.7428 43.5119 174.1512 81 K 4.6801 9.2066 120.9067 55.2528 35.9497 176.7625 82 K 3.9290 9.7672 125.0367 57.4748 29.3347 175.6264 83 G 3.9544 8.1150 104.3546 45.3142 0.0000 172.0033 84 Q 4.6868 7.9235 120.9261 53.7073 31.3440 174.3314 85 K 3.7676 8.7281 125.8244 56.2721 32.1705 176.5859 86 V 4.0862 8.3546 120.6462 62.5482 32.8241 176.1531 87 G 4.1183 7.7296 105.4041 46.0678 0.0000 171.7899 88 E 5.6395 8.8032 119.6235 55.3696 32.6411 173.7749 89 F 5.1700 8.9991 118.4650 56.0198 41.9159 173.1104 90 S 5.0449 9.4338 115.6392 56.8251 65.2964 173.0809 91 G 4.2570 8.2920 110.0578 43.6466 0.0000 174.3683 92 A 4.5291 8.3381 126.2737 50.8117 17.3534 178.3010 93 N 4.7722 7.9806 119.8556 51.2064 40.3026 174.2432 94 K 4.0177 8.2808 128.5687 59.2220 32.1664 178.9592 95 E 3.9546 8.0968 118.4375 59.3494 29.4146 179.1772 96 K 3.7306 8.3559 119.5885 59.1366 32.1423 178.4261 97 L 4.2523 8.1106 120.6799 58.3980 42.1895 178.5932 98 E 3.9063 8.3328 118.1360 59.6497 29.5236 179.4320 99 A 4.0171 8.3224 120.8405 55.4333 18.4741 179.9081 100 T 3.6804 8.0691 114.3497 66.5945 68.2746 176.8616 101 I 3.6841 7.4405 120.6812 64.8644 37.2509 177.9867 102 N 4.5689 7.8082 115.0687 56.0715 38.3778 177.1388 103 E 4.1168 7.9045 119.6745 57.8130 29.8960 177.4085 104 L 4.3130 7.1935 118.6137 53.8687 42.6594 177.2570 105 V 3.8749 8.3055 115.5884 61.6773 31.6237 176.0137 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 V 8.05 4.39 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 1.18 0.00 0.00 0.91 0.00 0.00 3 K 8.71 4.05 0.00 1.91 1.70 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.45 7.81 4 Q 9.53 4.53 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 5 I 8.64 4.48 1.57 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.75 0.00 0.00 6 E 9.19 4.78 0.00 1.88 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 2.15 2.13 0.00 7 S 7.47 4.69 0.00 4.00 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 8 K 8.63 4.12 0.00 1.85 1.95 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.81 1.55 7.81 9 T 7.88 3.95 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 10 A 8.05 4.07 1.36 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 0.00 0.00 0.00 11 F 8.43 4.47 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 12 Q 8.12 3.67 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 13 E 8.10 3.97 0.00 2.11 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 0.00 2.28 2.35 0.00 14 A 7.65 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.41 3.90 0.00 1.45 1.50 0.06 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.29 4.34 0.00 2.89 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 17 A 8.22 4.16 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 18 A 8.17 4.03 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 19 G 7.92 3.93 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 0.00 0.00 0.00 20 D 8.88 4.65 0.00 2.69 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 21 K 7.48 4.00 0.00 1.83 1.91 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.43 7.81 22 L 8.45 4.36 0.00 1.83 1.58 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.97 4.82 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 0.95 0.00 0.00 1.01 0.00 0.00 24 V 8.67 4.48 1.62 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 0.69 0.00 0.00 0.48 0.00 0.00 25 V 8.71 4.61 2.28 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 0.06 0.00 0.00 1.22 0.00 0.00 26 D 8.48 4.03 0.00 1.58 1.58 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 27 F 8.77 4.75 0.00 2.78 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 28 S 8.94 4.80 0.00 3.59 3.83 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 29 A 7.78 4.68 -0.09 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 30 T 8.34 3.83 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 1.20 0.00 0.00 31 W 7.15 4.52 0.00 3.52 3.24 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 32 C 7.12 4.48 0.00 2.00 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 33 G 8.74 3.72 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 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 35 S 7.87 4.06 0.00 3.92 3.72 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 36 K 7.99 3.98 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.61 7.81 37 M 8.04 4.19 0.00 2.16 2.11 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 2.63 2.71 0.00 38 I 7.86 4.25 2.12 0.00 0.00 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 1.81 1.50 1.23 0.00 0.00 39 K 7.97 3.97 0.00 2.09 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 40 P 0.00 4.52 0.00 2.39 2.37 0.00 4.12 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 41 F 8.36 4.27 0.00 3.19 3.42 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 0.00 0.00 0.00 0.00 42 F 8.74 4.19 0.00 3.31 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 43 H 8.38 4.22 0.00 3.43 3.40 0.00 5.67 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 44 S 8.21 3.92 0.00 3.99 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 45 L 7.74 3.83 0.00 1.36 1.47 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.03 2.79 0.00 3.46 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 47 E 7.57 4.03 0.00 1.98 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 2.15 2.35 0.00 48 K 6.92 4.08 0.00 2.01 1.56 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.36 7.81 49 Y 8.07 4.38 0.00 3.19 3.14 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 50 S 7.79 4.13 0.00 3.96 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 51 N 8.15 4.77 0.00 2.72 2.92 0.00 0.00 6.73 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 52 V 9.48 4.67 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 0.62 0.00 0.00 1.12 0.00 0.00 53 I 8.71 4.37 1.89 0.00 0.00 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 1.27 0.70 0.97 0.00 0.00 54 F 9.11 5.11 0.00 2.75 2.63 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 55 L 9.16 5.38 0.00 1.55 1.49 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.16 4.80 0.00 1.96 1.66 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 1.96 2.06 0.00 57 V 8.08 4.27 1.04 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 0.77 0.00 0.00 -0.05 0.00 0.00 58 D 8.39 4.91 0.00 2.66 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.78 3.69 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 0.80 0.00 0.00 0.96 0.00 0.00 60 D 8.65 4.43 0.00 2.88 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 61 D 8.54 4.53 0.00 2.77 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 62 S 8.23 4.73 0.00 3.73 3.69 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 63 Q 7.95 4.20 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 64 D 8.06 4.47 0.00 2.74 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 65 V 7.76 3.61 2.19 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 0.85 0.00 0.00 0.93 0.00 0.00 66 A 8.09 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 3.98 0.00 3.93 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 68 E 8.26 4.00 0.00 2.21 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 0.00 2.40 2.41 0.00 69 S 7.81 4.44 0.00 3.77 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 70 E 7.85 3.62 0.00 2.07 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 2.23 2.21 0.00 71 V 7.62 3.98 1.64 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 0.54 0.00 0.00 -0.22 0.00 0.00 72 K 8.49 4.62 0.00 1.71 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 73 S 7.91 4.86 0.00 3.79 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 74 M 8.23 4.80 0.00 1.64 1.64 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 75 P 0.00 4.49 0.00 1.48 1.92 0.00 3.63 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 2.05 0.00 76 T 8.18 4.69 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 1.09 0.00 0.00 77 F 8.46 4.96 0.00 2.09 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.91 5.09 0.00 2.37 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 79 F 9.04 5.34 0.00 2.95 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 80 F 9.34 5.37 0.00 3.00 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 81 K 9.21 4.68 0.00 1.64 1.69 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.59 7.81 82 K 9.77 3.93 0.00 1.86 1.82 0.00 2.01 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.59 7.81 83 G 8.12 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 0.00 0.00 0.00 0.00 84 Q 7.92 4.69 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 85 K 8.73 3.77 0.00 1.53 1.61 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 0.82 7.81 86 V 8.35 4.09 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 0.71 0.00 0.00 0.98 0.00 0.00 87 G 7.73 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 0.00 0.00 0.00 0.00 88 E 8.80 5.64 0.00 1.96 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 2.19 2.38 0.00 89 F 9.00 5.17 0.00 3.25 3.19 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 90 S 9.43 5.04 0.00 3.91 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 91 G 8.29 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 0.00 0.00 0.00 0.00 92 A 8.34 4.53 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 93 N 7.98 4.77 0.00 2.80 2.71 0.00 0.00 7.07 6.96 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 94 K 8.28 4.02 0.00 1.53 1.11 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.73 1.26 7.81 95 E 8.10 3.95 0.00 2.17 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 2.37 2.41 0.00 96 K 8.36 3.73 0.00 1.63 1.33 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.57 1.03 7.81 97 L 8.11 4.25 0.00 1.93 2.01 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.33 3.91 0.00 2.32 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 2.73 2.81 0.00 99 A 8.32 4.02 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 0.00 100 T 8.07 3.68 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 0.17 0.00 0.00 101 I 7.44 3.68 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.47 0.00 0.00 102 N 7.81 4.57 0.00 2.88 2.93 0.00 0.00 7.14 7.01 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 0.00 103 E 7.90 4.12 0.00 2.00 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 2.30 2.50 0.00 104 L 7.19 4.31 0.00 1.62 1.57 0.55 0.81 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 0.00 105 V 8.31 3.87 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 0.66 0.00 0.00 0.94 0.00 0.00