NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -19 L 4.2163 8.1849 122.4921 54.2913 44.2533 176.2533 -18 E 4.2949 7.8327 118.9400 53.7156 30.2183 175.5737 -17 S 4.5762 8.8822 122.1665 60.9904 64.2006 176.1112 -16 T 4.0075 8.6158 114.0483 64.3005 68.4491 176.6134 -15 S 4.1721 7.8988 116.8498 61.0796 62.8318 176.2484 -14 L 3.9996 7.7344 122.0538 57.3607 41.1179 178.7428 -13 Y 4.1503 7.6911 116.6349 60.4962 37.6439 177.7151 -12 K 4.7900 7.8651 117.0888 57.7106 32.4115 177.6862 -11 K 4.3325 7.9265 117.0461 56.6509 33.9214 175.9519 -10 A 4.3795 7.0265 121.9395 50.5285 18.7139 177.6364 -9 G 3.9100 8.4211 111.9075 45.2113 0.0000 174.0744 -8 S 4.6208 8.5711 112.7789 59.0488 62.6139 176.0867 -7 E 3.9918 8.1773 123.7148 59.5872 29.0760 178.5222 -6 N 4.3426 8.2986 115.8484 56.7685 38.7057 177.2756 -5 L 4.0729 7.9916 119.4457 57.8237 41.5618 178.9050 -4 Y 3.9104 8.4579 116.4664 61.2454 37.9719 178.3955 -3 F 4.2962 8.5720 120.2915 61.2418 39.6028 176.7121 -2 Q 4.3628 8.6385 116.8430 57.1667 29.2462 175.9522 -1 G 3.8782 7.8803 107.6133 44.8085 0.0000 172.6038 -17 I 4.2762 8.5722 126.3665 63.7904 39.2006 177.9111 -16 V 3.7775 8.4958 119.6483 64.7005 31.5491 178.2134 -15 D 4.3421 7.9288 121.5498 56.9796 40.1318 177.9484 -14 K 3.9796 7.8644 120.6538 58.4607 31.8179 177.7428 -13 N 4.3403 7.9711 115.0349 55.6962 38.7439 177.0151 -12 K 4.7900 7.8651 117.0888 57.7106 32.4115 177.6862 -11 I 4.1825 7.6365 116.5461 61.5509 39.6214 175.7519 -10 V 4.1795 6.8165 117.3395 60.2285 32.5139 176.1364 -9 I 4.1200 8.0911 123.0075 61.2113 39.5875 175.5744 -8 P 4.5708 0.0000 0.0000 64.0489 30.9139 178.7867 -7 M 4.1218 8.0373 123.1148 58.3872 32.0760 178.2222 -6 S 4.0726 8.2086 112.8484 61.9685 63.6057 176.6756 -5 E 4.0829 8.2516 117.8457 59.3237 29.0618 177.9050 -4 F 3.9804 8.6379 116.4664 61.0454 39.7719 178.2955 -3 L 4.0162 8.4320 121.7915 58.6418 42.4028 178.5121 -2 D 4.6628 8.6585 117.4430 55.6667 40.9462 176.2522 -1 S 4.3882 7.8603 114.5133 58.0085 66.5016 172.3038 19 M 4.3758 7.6241 120.8605 58.3042 31.6233 178.6883 20 F 4.7702 8.0018 117.6707 60.6794 39.0498 177.2247 21 L 4.0290 8.1430 119.5276 57.9851 41.6269 178.7489 22 V 3.5560 7.3307 116.6049 65.8240 31.7194 177.3527 23 I 4.1459 7.5905 110.5859 61.5230 38.1449 176.9437 24 E 4.2739 8.1601 123.6053 58.4454 29.1063 178.4433 25 K 4.1857 8.0232 117.2889 58.8402 32.3009 177.2280 26 L 4.4336 7.9240 120.0077 54.4367 41.6932 177.5279 27 G 3.8871 8.0098 105.8437 46.1810 0.0000 173.3460 28 V 4.3211 7.2043 121.1842 61.7494 32.8415 174.4347 29 H 4.8270 9.4307 128.5819 55.0688 31.5728 173.6377 30 A 4.7505 7.6046 125.0049 50.1089 22.1206 174.7751 31 E 4.3559 8.2392 120.5317 54.5427 33.7617 173.5349 32 K 5.1343 8.7109 126.1450 54.7523 34.4795 175.6249 33 K 4.5071 9.1589 127.8608 56.0241 35.9137 175.3241 34 G 4.0113 8.5874 116.1289 47.4879 0.0000 173.9151 35 S 4.8762 8.6858 118.7593 58.2613 64.2633 172.1123 36 M 5.0293 8.0522 118.6846 53.5735 35.3692 174.7536 37 I 4.7165 8.5357 122.7562 59.6090 39.9599 174.5045 38 F 4.8987 9.2034 125.8732 55.5752 41.4550 174.5628 39 L 5.2093 8.9824 123.9144 52.9766 44.8190 175.7246 40 S 5.5273 8.7641 115.8910 56.8982 66.8531 172.8280 41 S 5.1230 8.2162 114.9287 56.2193 64.7745 173.6806 42 E 4.0088 9.0384 125.7312 58.1700 29.2932 176.6263 43 R 4.3265 7.1633 114.7030 57.4943 32.4809 176.0793 44 V 3.8714 7.7103 118.5205 62.5530 32.4244 176.8724 45 K 4.2083 8.6340 126.0139 56.7570 32.7317 177.0823 46 L 4.9666 8.6098 120.0943 54.7196 43.0117 179.2592 47 A 4.0849 8.1271 123.7834 55.1413 18.4684 179.6587 48 D 4.2225 8.0565 117.4851 56.4607 39.5259 178.6818 49 W 4.1433 8.1328 120.0691 59.1777 29.0311 178.2047 50 K 4.1479 8.2379 119.5580 59.7317 31.4868 178.4576 51 Q 3.9654 8.1447 118.6897 58.9540 28.9162 177.5733 52 L 4.4715 7.4155 116.7312 54.1923 42.0181 176.7094 53 G 3.9036 8.0700 106.7348 45.1331 0.0000 174.7300 54 A 4.2299 8.2338 122.4119 52.3314 19.4800 177.3390 55 M 4.3942 9.1171 121.0360 54.4910 33.2243 174.6119 56 C 5.4317 8.7206 121.6188 55.2255 42.2440 174.6377 57 S 4.2305 8.7640 117.8224 60.3154 63.5698 173.2571 58 D 4.6047 7.4662 118.0673 52.6599 41.4894 174.9796 59 C 4.0660 8.6015 115.3240 62.3389 28.2194 174.2059 60 Y 4.8673 8.7468 116.2828 57.7451 39.9201 174.8338 61 H 5.3447 8.3982 117.6607 54.6182 33.2747 171.9250 62 C 5.5399 9.3442 119.8718 55.3762 43.0361 173.0882 63 K 5.0174 9.0140 119.4772 55.4222 36.0817 175.0269 64 L 4.8093 8.3611 120.2978 53.8386 44.2832 173.3841 65 P 4.6371 0.0000 0.0000 62.4117 32.2952 177.0401 66 L 3.9855 8.9370 124.2991 58.7572 41.7968 180.0048 67 S 3.8154 8.0435 113.2899 61.5096 63.0264 176.4272 68 S 4.1401 8.0823 118.3318 61.1268 62.6395 176.0895 69 F 4.2413 8.3820 123.3159 61.4926 39.2329 177.0913 70 I 3.7208 7.9879 119.3637 64.5914 36.6441 178.2308 71 E 4.0045 8.0247 117.9298 59.4140 29.4231 179.3273 72 I 3.7215 7.6879 119.6803 64.5416 37.0203 178.9633 73 V 2.9936 7.2546 111.4276 63.0792 31.4888 177.6510 74 T 4.4394 7.4072 108.4410 61.5367 68.7952 176.2353 75 R 3.8483 7.5748 123.8852 60.0319 29.9515 178.4495 76 K 4.0398 8.0722 118.4015 59.1833 32.3021 178.3037 77 A 4.3264 8.0477 120.7133 54.3079 18.1039 179.1019 78 K 4.8897 7.5498 117.0457 58.0169 32.1712 178.5471 79 D 4.5314 7.9283 119.0211 56.3979 40.9194 176.8431 80 K 4.4628 8.3607 116.5074 55.7163 35.3609 176.1948 81 F 5.4442 7.9397 117.5169 55.2882 43.6615 174.1875 82 L 4.4901 9.1850 122.4199 54.8079 42.8734 176.0852 83 V 4.9302 8.4244 122.7253 61.3783 33.6461 174.3114 84 M 4.8110 8.9717 124.5458 54.1763 35.3428 173.0257 85 Y 5.1528 7.4301 116.0238 57.1797 40.7706 172.5111 86 N 4.9551 8.5944 115.2955 52.2175 39.8248 174.7070 87 E 4.0985 8.7509 116.4312 59.3733 29.8679 178.2670 88 K 4.3133 7.7377 120.5551 58.8786 32.8644 176.6462 89 E 5.1762 8.4867 115.4314 55.6769 33.2766 174.2111 90 V 4.6601 8.1847 120.3760 61.4694 33.5257 174.7546 91 T 5.0631 9.0136 124.3779 61.7731 71.4233 172.7795 92 L 5.0394 8.4675 126.1734 52.9553 43.8919 175.7937 93 V 4.9141 8.6585 124.2726 60.7095 33.6590 174.8296 94 A 4.2724 8.7999 129.7562 52.3500 18.7415 177.3644 95 R 3.9735 8.4369 122.0433 56.0538 31.1617 177.3832 96 G 3.3953 8.7758 109.8018 45.2655 0.0000 173.3505 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 -19 L 8.18 4.22 0.00 1.62 1.77 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 -18 E 7.83 4.29 0.00 2.08 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 0.00 2.34 2.27 0.00 -17 S 8.88 4.58 0.00 4.25 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 -16 T 8.62 4.01 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 -0.37 0.00 0.00 -15 S 7.90 4.17 0.00 4.04 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 0.00 -14 L 7.73 4.00 0.00 1.44 1.51 0.88 0.53 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 -13 Y 7.69 4.15 0.00 3.18 3.07 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 -12 K 7.87 4.79 0.00 1.78 1.88 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 -11 K 7.93 4.33 0.00 1.76 1.80 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.57 7.81 -10 A 7.03 4.38 1.27 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 -9 G 8.42 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 -8 S 8.57 4.62 0.00 4.14 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 0.00 -7 E 8.18 3.99 0.00 2.01 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 2.40 0.00 -6 N 8.30 4.34 0.00 2.84 2.90 0.00 0.00 7.15 6.74 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 -5 L 7.99 4.07 0.00 1.86 1.73 1.03 0.85 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 -4 Y 8.46 3.91 0.00 3.11 3.16 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 -3 F 8.57 4.30 0.00 3.15 3.28 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 -2 Q 8.64 4.36 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 -1 G 7.88 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 -17 I 8.57 4.28 1.87 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 1.32 1.72 0.91 0.00 0.00 -16 V 8.50 3.78 1.68 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 0.80 0.00 0.00 -0.65 0.00 0.00 -15 D 7.93 4.34 0.00 2.87 2.91 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 -14 K 7.86 3.98 0.00 1.66 1.64 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 -13 N 7.97 4.34 0.00 2.98 2.84 0.00 0.00 6.84 8.07 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 -12 K 7.87 4.79 0.00 1.78 1.88 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 -11 I 7.64 4.18 1.87 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 1.35 0.77 0.91 0.00 0.00 -10 V 6.82 4.18 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 0.97 0.00 0.00 0.93 0.00 0.00 -9 I 8.09 4.12 1.87 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 1.41 0.70 0.91 0.00 0.00 -8 P 0.00 4.57 0.00 2.54 2.28 0.00 2.20 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 2.10 2.01 0.00 -7 M 8.04 4.12 0.00 2.06 2.06 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 2.63 2.63 0.00 -6 S 8.21 4.07 0.00 3.90 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 -5 E 8.25 4.08 0.00 2.30 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 2.40 2.40 0.00 -4 F 8.64 3.98 0.00 3.22 3.22 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 0.00 -3 L 8.43 4.02 0.00 1.63 1.86 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 -2 D 8.66 4.66 0.00 2.79 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 -1 S 7.86 4.39 0.00 3.63 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 19 M 7.62 4.38 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 20 F 8.00 4.77 0.00 3.17 2.95 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 21 L 8.14 4.03 0.00 2.00 1.86 1.00 0.89 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 22 V 7.33 3.56 2.17 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 0.45 0.00 0.00 0.99 0.00 0.00 23 I 7.59 4.15 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.83 1.12 0.00 0.00 24 E 8.16 4.27 0.00 2.05 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 0.00 2.33 2.22 0.00 25 K 8.02 4.19 0.00 1.94 1.92 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.51 7.81 26 L 7.92 4.43 0.00 1.79 1.74 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.01 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.20 4.32 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 0.86 0.00 0.00 1.04 0.00 0.00 29 H 9.43 4.83 0.00 3.13 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.60 4.75 0.19 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 31 E 8.24 4.36 0.00 1.86 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 0.00 2.18 2.23 0.00 32 K 8.71 5.13 0.00 1.99 1.80 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.59 7.81 33 K 9.16 4.51 0.00 1.77 1.72 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.44 7.81 34 G 8.59 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 0.00 0.00 0.00 35 S 8.69 4.88 0.00 3.78 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 36 M 8.05 5.03 0.00 1.30 1.95 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 37 I 8.54 4.72 1.68 0.00 0.00 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 1.11 0.50 0.24 0.00 0.00 38 F 9.20 4.90 0.00 2.78 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 39 L 8.98 5.21 0.00 1.25 1.24 -0.46 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.76 5.53 0.00 3.79 3.94 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 41 S 8.22 5.12 0.00 3.91 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 42 E 9.04 4.01 0.00 1.94 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 2.24 2.28 0.00 43 R 7.16 4.33 0.00 1.81 1.87 0.00 3.22 0.00 0.00 3.15 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 44 V 7.71 3.87 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 0.89 0.00 0.00 1.06 0.00 0.00 45 K 8.63 4.21 0.00 1.77 1.63 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 1.42 7.81 46 L 8.61 4.97 0.00 1.67 1.83 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.13 4.08 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 48 D 8.06 4.22 0.00 2.69 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 49 W 8.13 4.14 0.00 3.63 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 50 K 8.24 4.15 0.00 1.91 1.98 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 Q 8.14 3.97 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 52 L 7.42 4.47 0.00 1.81 1.65 0.61 0.67 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 53 G 8.07 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 54 A 8.23 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.12 4.39 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 56 C 8.72 5.43 0.00 2.84 3.28 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 57 S 8.76 4.23 0.00 4.02 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 58 D 7.47 4.60 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 59 C 8.60 4.07 0.00 2.24 2.29 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 60 Y 8.75 4.87 0.00 2.93 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 61 H 8.40 5.34 0.00 3.11 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 9.34 5.54 0.00 2.73 2.89 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 0.00 0.00 0.00 0.00 63 K 9.01 5.02 0.00 1.10 1.26 0.00 1.13 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.22 7.81 64 L 8.36 4.81 0.00 1.75 1.78 1.27 0.88 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 65 P 0.00 4.64 0.00 2.23 2.02 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 66 L 8.94 3.99 0.00 1.81 1.70 0.95 0.88 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 67 S 8.04 3.82 0.00 4.37 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 0.00 68 S 8.08 4.14 0.00 4.09 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 69 F 8.38 4.24 0.00 3.19 3.28 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 70 I 7.99 3.72 1.36 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.45 0.00 0.00 71 E 8.02 4.00 0.00 2.07 2.04 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 2.64 2.60 0.00 72 I 7.69 3.72 1.83 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.44 0.00 0.00 73 V 7.25 2.99 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 0.00 0.00 -0.61 0.00 0.00 0.65 0.00 0.00 74 T 7.41 4.44 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 1.42 0.00 0.00 75 R 7.57 3.85 0.00 1.89 1.94 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 K 8.07 4.04 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.54 7.81 77 A 8.05 4.33 1.50 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 0.00 0.00 78 K 7.55 4.89 0.00 1.96 1.92 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.53 7.81 79 D 7.93 4.53 0.00 2.64 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 80 K 8.36 4.46 0.00 1.44 1.14 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.36 7.81 81 F 7.94 5.44 0.00 3.07 2.87 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 82 L 9.18 4.49 0.00 1.63 1.61 0.92 0.67 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 83 V 8.42 4.93 2.17 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 0.95 0.00 0.00 1.01 0.00 0.00 84 M 8.97 4.81 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 85 Y 7.43 5.15 0.00 2.81 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 86 N 8.59 4.96 0.00 2.95 2.94 0.00 0.00 7.43 7.82 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 87 E 8.75 4.10 0.00 2.00 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 2.34 2.33 0.00 88 K 7.74 4.31 0.00 1.86 1.99 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 89 E 8.49 5.18 0.00 2.14 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 2.32 2.18 0.00 90 V 8.18 4.66 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 0.56 0.00 0.00 -0.09 0.00 0.00 91 T 9.01 5.06 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 1.18 0.00 0.00 92 L 8.47 5.04 0.00 1.01 1.10 0.43 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.66 4.91 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 1.02 0.00 0.00 0.95 0.00 0.00 94 A 8.80 4.27 1.21 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 0.00 0.00 95 R 8.44 3.97 0.00 1.59 1.83 0.00 3.26 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 96 G 8.78 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 0.00 0.00 0.00