NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4235 8.3044 120.3293 54.7300 33.4726 174.4079 2 E 3.8532 8.2946 120.6096 55.0320 30.2173 174.5910 3 A 4.0260 9.3017 128.4412 52.8802 19.6497 177.6833 4 L 4.0252 8.5537 121.9804 55.6491 42.0451 177.5468 5 G 3.8155 8.5022 105.5183 46.0807 0.0000 172.9327 6 A 4.4569 7.5409 116.5213 51.0382 22.1316 176.3790 7 D 4.7342 8.7335 121.3591 53.2248 42.3905 175.9798 8 V 4.6051 8.4120 123.2697 61.3985 34.1181 175.3853 9 T 4.4356 8.2484 122.0890 61.3900 69.9948 173.8024 10 Q 3.9343 8.6450 124.8951 56.7908 29.0184 177.7911 11 G 4.1019 8.6550 107.6316 45.9483 0.0000 172.5888 12 L 5.0497 8.5504 120.5652 52.9434 45.7200 175.0969 13 E 5.7011 8.4944 117.9705 52.9882 34.3673 175.4437 14 K 4.1767 8.5715 122.8605 57.8769 32.5963 177.0245 15 G 4.0872 8.3402 114.0290 45.1929 0.0000 174.0193 16 S 4.3241 8.2097 117.1466 58.5400 64.0003 173.1987 17 L 5.0472 8.4515 124.3447 53.5864 43.1307 175.7046 18 I 4.7343 9.1273 117.1061 59.5296 42.1301 173.7371 19 T 4.7287 8.1727 118.0603 62.7525 70.0164 174.4326 20 C 4.6422 8.6935 127.1921 57.8153 31.7917 174.1755 21 A 4.5335 8.1453 134.8908 49.4198 16.2953 175.2718 22 D 4.6756 7.4227 120.5278 52.9726 40.6699 176.8904 23 N 4.9044 8.2104 115.1819 53.4952 37.0567 177.2894 24 T 3.9244 7.4810 111.6817 64.0506 69.0493 175.2013 25 G 4.0297 7.9143 110.0565 44.9122 0.0000 172.2634 26 A 5.0563 7.6696 121.3605 50.2621 21.5956 176.1180 27 R 4.4862 8.7519 120.1395 57.1800 32.9835 175.5618 28 E 5.1082 8.0736 119.3751 54.2520 32.2409 174.3182 29 L 5.1599 9.1209 126.6165 52.7525 45.5446 175.1326 30 K 4.9438 8.8295 123.6326 54.3176 34.6954 175.7833 31 V 3.9930 9.1889 128.2403 63.6710 32.2386 176.2722 32 I 4.5105 8.4355 123.1933 62.7371 41.0642 174.9218 33 S 4.6420 7.7185 115.3854 57.6393 68.3275 173.4426 34 V 4.4150 8.2423 119.2738 61.4757 33.9454 174.0005 35 H 4.1229 8.9353 128.0821 58.0464 29.9993 174.9751 36 G 3.8830 8.7271 112.9981 46.1503 0.0000 172.0486 37 Y 4.7309 7.9718 120.5998 55.1595 40.8713 174.4812 38 S 4.5644 8.0240 121.3380 56.1392 66.2342 173.7707 39 G 4.0538 7.6509 120.9837 44.8903 0.0000 173.6302 40 T 4.4711 8.2663 117.5791 59.8905 70.1900 172.3249 41 K 3.9036 8.4729 125.3975 58.3563 32.3091 176.3171 42 N 4.6662 9.0536 123.8129 53.7498 37.5743 174.6626 43 R 3.9249 7.5425 117.7255 56.1549 30.2210 175.9082 44 L 4.1314 8.5066 126.5479 53.4998 42.3982 174.1826 45 P 4.5864 0.0000 0.0000 63.3353 31.8951 175.0991 46 K 4.8277 8.3702 124.0656 55.8656 34.1433 176.0166 47 A 4.6141 9.1172 125.5756 50.2134 22.1338 175.2932 48 G 4.2712 8.7708 108.4576 44.0647 0.0000 171.9874 49 L 3.9455 8.5352 119.4360 56.4276 42.1818 177.8912 50 G 4.0805 8.4346 110.0496 47.3573 0.0000 173.3546 51 D 5.0589 7.7096 117.3019 51.9058 45.1164 176.4467 52 K 4.4355 8.8584 124.8412 56.1429 32.9274 175.8414 53 I 4.8118 8.2992 122.5192 59.6544 41.2311 174.0488 54 T 4.8584 8.1329 116.7041 61.9420 71.6889 173.8957 55 V 4.8954 9.0713 125.2838 61.1410 35.9159 173.6700 56 S 4.9818 8.6518 119.8233 56.3383 64.8976 173.1738 57 V 4.0971 8.0701 126.6794 63.3074 31.5427 176.6073 58 T 4.0386 8.9187 126.1144 66.0994 68.8885 175.4764 59 K 4.5671 8.8383 119.0139 54.4760 36.4674 176.2877 60 G 3.8861 8.4480 108.6441 45.0943 0.0000 172.7568 61 T 4.0507 8.0894 113.0242 60.7963 69.3670 174.0026 62 P 4.2974 0.0000 0.0000 64.8975 31.5740 177.3855 63 E 4.3749 7.9004 116.1455 58.2205 30.2356 177.3381 64 M 4.3261 8.3672 118.4343 55.8787 32.1601 176.6876 65 R 4.1368 7.4102 118.5363 57.6787 30.4857 176.5267 66 R 4.0187 8.7886 121.4314 56.6178 27.6292 175.4754 67 Q 4.4415 7.5817 116.5953 54.5433 30.5597 175.4234 68 V 4.1103 8.4616 124.6162 62.4765 31.4136 174.7326 69 L 4.9180 8.6186 127.3850 52.5644 45.9878 175.9521 70 E 4.7296 8.5348 121.4153 56.1220 31.8835 174.3164 71 A 4.8696 7.8307 122.3576 51.3935 23.8885 175.2188 72 V 4.6033 7.8824 117.9415 60.6836 34.9823 174.9000 73 V 4.1023 8.2290 128.7021 63.5645 31.4049 176.3101 74 V 4.3416 9.2390 127.3291 61.8889 34.1283 175.5539 75 R 4.2206 7.4754 118.8397 54.8934 34.8908 173.7435 76 Q 4.9487 8.0045 117.6887 55.7226 31.4185 175.2161 77 R 4.2149 9.3816 119.3448 57.8888 30.6765 177.3457 78 K 4.3174 7.8417 119.0159 55.0781 33.1167 174.9045 79 P 4.7218 0.0000 0.0000 62.7876 32.0346 175.5725 80 I 4.5870 8.5883 117.9246 59.0552 40.6102 174.3862 81 R 4.9619 9.1680 125.6146 55.5068 31.8469 175.8929 82 R 4.7341 8.3625 124.5735 54.1784 32.3119 175.6922 83 P 4.1928 0.0000 0.0000 66.1355 31.2246 177.6456 84 D 4.5506 8.0194 113.1805 53.5880 39.2280 176.6049 85 G 4.0545 8.2181 110.0928 45.9913 0.0000 174.5905 86 T 4.0738 7.6392 115.4484 64.2604 69.6523 173.4323 87 R 5.0052 8.3729 121.5644 54.8636 33.2646 176.4369 88 V 4.3258 8.6098 120.6405 61.5112 34.3108 173.9301 89 K 5.0219 8.5966 126.8447 55.2994 35.3986 175.6272 90 F 4.5821 8.4921 120.5200 56.1073 41.2763 175.6380 91 E 4.0775 9.1680 119.7197 59.1525 29.5781 175.4956 92 D 5.0717 7.7707 114.2921 51.8665 43.1895 173.3356 93 N 5.2074 8.4693 114.3045 51.9910 41.0882 174.2267 94 A 4.9927 8.9974 123.1091 51.5610 23.5767 174.7208 95 A 5.2133 8.6452 119.2110 51.2550 23.5720 175.4850 96 V 4.4608 8.0802 119.9872 60.7997 33.3134 175.2675 97 I 4.1263 7.6857 127.0302 62.3275 38.1788 175.1234 98 V 4.4300 8.4694 124.0540 61.6716 35.2756 174.3302 99 D 5.0952 7.9841 123.6932 51.7091 41.9052 176.2459 100 E 3.9380 8.9144 117.3540 60.3353 29.4233 178.4528 101 N 4.4573 8.0394 113.5379 54.7614 38.8876 175.1419 102 E 4.1262 8.1678 116.3408 57.0075 27.4071 174.1333 103 D 5.3068 8.6719 117.4218 50.5387 43.1072 174.6068 104 P 4.4365 0.0000 0.0000 63.4735 31.3862 176.4993 105 R 3.9213 8.2433 121.9814 58.5101 30.2332 176.6747 106 G 3.9508 7.6798 105.9834 44.6878 0.0000 172.9022 107 T 4.1720 8.1209 115.1041 64.5610 69.1010 175.0117 108 E 4.7784 8.7271 120.1241 54.7755 32.8520 174.2629 109 L 4.9233 8.3247 120.9573 53.1767 43.8105 176.2157 110 K 4.3436 8.2296 121.5800 56.0214 33.6629 177.6674 111 G 3.9107 8.8064 114.4430 43.6938 0.0000 170.7516 112 P 4.8301 0.0000 0.0000 62.5096 32.9814 175.6502 113 I 4.5423 8.0532 117.9576 59.8454 41.7256 174.6246 114 A 4.9414 8.2748 129.0186 51.8831 18.9658 178.9712 115 R 3.9789 9.0122 118.7295 59.3529 28.9493 179.3341 116 E 3.9985 8.2287 118.8435 58.9950 29.4478 179.0658 117 V 3.5165 8.0226 118.5239 65.4990 31.0644 177.6701 118 A 3.9837 7.7395 120.9015 55.5944 18.0454 179.5508 119 Q 3.7075 7.3369 114.3357 58.8676 28.7572 178.9042 120 R 4.0848 7.1047 117.1938 56.2169 32.1061 176.6630 121 F 4.8858 7.7183 117.2484 54.3169 39.8572 175.2652 122 G 3.6794 8.4092 111.8343 47.6402 0.0000 172.3876 123 S 3.7339 8.1936 116.1997 61.1494 62.8722 176.7613 124 V 3.6246 7.8132 121.0715 65.5536 31.4157 177.6854 125 A 4.0637 8.0455 120.7815 55.1289 18.1251 179.2686 126 S 4.4329 8.7971 109.8013 59.5611 63.0155 174.4062 127 A 4.5806 7.5665 123.3559 51.9182 19.4556 176.3432 128 A 4.4289 7.8276 120.2210 52.0337 19.1164 177.6376 129 T 4.1565 7.8218 117.5093 64.2640 69.1021 174.1562 130 M 4.6468 7.6987 118.7879 53.9143 35.0976 174.7481 131 I 4.6422 8.3279 123.6185 59.3617 39.2371 175.6275 132 V 3.9069 8.5473 126.3260 62.8732 31.5316 175.4804 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 4.42 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 E 8.29 3.85 0.00 1.94 1.75 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 2.24 2.33 0.00 3 A 9.30 4.03 1.24 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 0.00 0.00 4 L 8.55 4.03 0.00 1.65 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.50 3.82 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 0.00 0.00 0.00 6 A 7.54 4.46 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 7 D 8.73 4.73 0.00 2.60 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 0.00 0.00 0.00 0.00 8 V 8.41 4.61 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 0.83 0.00 0.00 0.94 0.00 0.00 9 T 8.25 4.44 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 1.21 0.00 0.00 10 Q 8.65 3.93 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 11 G 8.66 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.55 5.05 0.00 1.57 1.52 0.89 0.78 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 13 E 8.49 5.70 0.00 1.89 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 2.20 2.06 0.00 14 K 8.57 4.18 0.00 1.74 1.75 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 15 G 8.34 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 16 S 8.21 4.32 0.00 3.90 3.78 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 17 L 8.45 5.05 0.00 1.51 1.58 0.95 0.78 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 18 I 9.13 4.73 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.89 0.00 0.00 19 T 8.17 4.73 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 1.20 0.00 0.00 20 C 8.69 4.64 0.00 2.97 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 A 8.15 4.53 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 22 D 7.42 4.68 0.00 2.83 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 23 N 8.21 4.90 0.00 2.89 3.06 0.00 0.00 5.68 7.22 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 24 T 7.48 3.92 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 1.24 0.00 0.00 25 G 7.91 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 26 A 7.67 5.06 1.20 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 0.00 0.00 0.00 27 R 8.75 4.49 0.00 1.77 1.92 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 28 E 8.07 5.11 0.00 2.00 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 2.25 2.44 0.00 29 L 9.12 5.16 0.00 1.53 1.49 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.83 4.94 0.00 1.75 1.75 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 9.19 3.99 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 0.86 0.00 0.00 0.96 0.00 0.00 32 I 8.44 4.51 2.07 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 1.23 0.92 0.92 0.00 0.00 33 S 7.72 4.64 0.00 3.75 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 34 V 8.24 4.42 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 0.97 0.00 0.00 0.95 0.00 0.00 35 H 8.94 4.12 0.00 3.19 3.42 0.00 6.13 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 36 G 8.73 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 37 Y 7.97 4.73 0.00 3.04 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 38 S 8.02 4.56 0.00 3.77 3.62 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 0.00 0.00 0.00 0.00 39 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 40 T 8.27 4.47 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 1.23 0.00 0.00 41 K 8.47 3.90 0.00 1.74 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.05 4.67 0.00 2.95 3.02 0.00 0.00 7.05 7.66 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 43 R 7.54 3.92 0.00 1.84 2.09 0.00 3.36 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 44 L 8.51 4.13 0.00 1.92 1.62 1.00 1.17 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 45 P 0.00 4.59 0.00 2.21 2.49 0.00 3.74 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 2.14 2.08 0.00 46 K 8.37 4.83 0.00 1.63 1.76 0.00 1.41 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.14 0.91 7.81 47 A 9.12 4.61 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 48 G 8.77 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 0.00 0.00 0.00 0.00 49 L 8.54 3.95 0.00 1.67 1.65 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.43 4.08 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 0.00 0.00 0.00 51 D 7.71 5.06 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.44 0.00 1.90 1.71 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.64 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.42 7.81 53 I 8.30 4.81 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.91 0.00 0.00 54 T 8.13 4.86 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 1.21 0.00 0.00 55 V 9.07 4.90 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 1.01 0.00 0.00 0.90 0.00 0.00 56 S 8.65 4.98 0.00 3.92 3.67 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 57 V 8.07 4.10 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 0.90 0.00 0.00 1.03 0.00 0.00 58 T 8.92 4.04 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 1.25 0.00 0.00 59 K 8.84 4.57 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.45 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 61 T 8.09 4.05 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 1.25 0.00 0.00 62 P 0.00 4.30 0.00 2.03 2.17 0.00 3.66 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 2.03 2.20 0.00 63 E 7.90 4.37 0.00 1.92 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 2.24 2.32 0.00 64 M 8.37 4.33 0.00 1.97 2.28 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 2.72 2.70 0.00 65 R 7.41 4.14 0.00 1.79 1.88 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 66 R 8.79 4.02 0.00 1.98 2.16 0.00 3.14 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 67 Q 7.58 4.44 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 68 V 8.46 4.11 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 0.77 0.00 0.00 0.93 0.00 0.00 69 L 8.62 4.92 0.00 1.58 1.47 0.90 0.76 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 70 E 8.53 4.73 0.00 2.02 1.75 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 2.27 2.47 0.00 71 A 7.83 4.87 1.14 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 0.00 0.00 72 V 7.88 4.60 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 0.53 0.00 0.00 -0.13 0.00 0.00 73 V 8.23 4.10 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 0.87 0.00 0.00 0.94 0.00 0.00 74 V 9.24 4.34 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 0.62 0.00 0.00 0.89 0.00 0.00 75 R 7.48 4.22 0.00 1.50 1.52 0.00 3.18 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.28 0.00 76 Q 8.00 4.95 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 77 R 9.38 4.21 0.00 1.80 2.06 0.00 3.17 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 78 K 7.84 4.32 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.55 1.54 7.81 79 P 0.00 4.72 0.00 1.99 1.99 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 80 I 8.59 4.59 1.91 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 1.24 0.94 1.01 0.00 0.00 81 R 9.17 4.96 0.00 1.87 1.83 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 82 R 8.36 4.73 0.00 1.85 1.84 0.00 3.21 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 83 P 0.00 4.19 0.00 2.03 2.14 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 84 D 8.02 4.55 0.00 2.78 2.76 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 85 G 8.22 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 86 T 7.64 4.07 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 1.19 0.00 0.00 87 R 8.37 5.01 0.00 1.66 1.83 0.00 3.33 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 V 8.61 4.33 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 0.80 0.00 0.00 0.92 0.00 0.00 89 K 8.60 5.02 0.00 1.95 1.76 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.39 7.81 90 F 8.49 4.58 0.00 3.17 3.10 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 0.00 0.00 0.00 91 E 9.17 4.08 0.00 1.98 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 2.31 2.26 0.00 92 D 7.77 5.07 0.00 2.67 2.64 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 0.00 0.00 0.00 93 N 8.47 5.21 0.00 2.63 2.71 0.00 0.00 6.52 7.65 0.00 0.00 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 A 9.00 4.99 1.14 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 0.00 0.00 95 A 8.65 5.21 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 96 V 8.08 4.46 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 1.03 0.00 0.00 0.93 0.00 0.00 97 I 7.69 4.13 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.90 0.00 0.00 98 V 8.47 4.43 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 0.67 0.00 0.00 0.84 0.00 0.00 99 D 7.98 5.10 0.00 2.85 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 0.00 100 E 8.91 3.94 0.00 1.98 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 0.00 2.31 2.34 0.00 101 N 8.04 4.46 0.00 2.90 2.89 0.00 0.00 7.18 7.66 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 0.00 102 E 8.17 4.13 0.00 2.11 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 2.20 2.26 0.00 103 D 8.67 5.31 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.44 0.00 2.30 2.06 0.00 3.76 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 1.99 1.98 0.00 105 R 8.24 3.92 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 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 0.00 107 T 8.12 4.17 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 0.00 108 E 8.73 4.78 0.00 1.90 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 2.24 2.26 0.00 109 L 8.32 4.92 0.00 1.51 1.56 0.97 0.91 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 0.00 110 K 8.23 4.34 0.00 1.69 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 111 G 8.81 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 0.00 112 P 0.00 4.83 0.00 2.32 2.20 0.00 3.46 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 2.18 1.97 0.00 113 I 8.05 4.54 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.92 0.00 0.00 114 A 8.27 4.94 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 0.00 115 R 9.01 3.98 0.00 2.07 2.25 0.00 2.79 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 116 E 8.23 4.00 0.00 2.12 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 0.00 2.44 2.54 0.00 117 V 8.02 3.52 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 1.16 0.00 0.00 0.98 0.00 0.00 118 A 7.74 3.98 1.37 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 0.00 119 Q 7.34 3.71 0.00 1.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.10 4.08 0.00 0.99 0.66 0.00 2.98 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.41 0.00 121 F 7.72 4.89 0.00 3.13 2.88 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 0.00 122 G 8.41 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 0.00 123 S 8.19 3.73 0.00 4.08 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 0.00 124 V 7.81 3.62 2.30 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 1.02 0.00 0.00 0.93 0.00 0.00 125 A 8.05 4.06 1.43 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 0.00 0.00 126 S 8.80 4.43 0.00 3.97 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 0.00 127 A 7.57 4.58 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 0.00 128 A 7.83 4.43 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 0.00 129 T 7.82 4.16 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 1.22 0.00 0.00 130 M 7.70 4.65 0.00 1.98 1.99 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 2.61 2.55 0.00 131 I 8.33 4.64 1.90 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 1.26 0.64 0.95 0.00 0.00 132 V 8.55 3.91 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 0.90 0.00 0.00 0.97 0.00 0.00