NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4813 8.2893 120.3529 55.4141 33.2829 174.3112 2 E 4.8253 8.4834 122.8302 54.4227 33.1755 172.5564 3 A 4.6534 8.8088 122.3521 50.0270 22.2247 176.7351 4 K 4.6934 8.6180 121.7143 56.3271 35.0398 175.2948 5 A 4.1714 8.5654 124.3255 50.6118 20.8874 174.6936 6 I 3.0471 9.2553 133.1405 59.9049 34.9320 173.1478 7 A 4.5386 8.8614 129.8185 50.2901 19.1158 176.1371 8 R 4.6851 8.2655 120.2676 57.4918 31.3399 176.0224 9 Y 3.6425 9.1141 114.8574 59.0858 35.3850 172.0202 10 V 3.4079 8.2113 120.7149 66.4208 32.0846 176.2922 11 R 3.9873 9.3779 115.2515 55.4031 26.7327 174.9037 12 I 4.2080 6.7665 113.0286 59.6794 42.1429 173.6012 13 S 4.1301 8.6035 122.2571 57.7429 62.9604 172.4630 14 P 4.2041 0.0000 0.0000 66.4520 30.5054 178.0813 15 R 3.8853 8.0711 116.8398 59.1234 29.7404 177.9402 16 K 4.1406 8.1225 117.8750 59.3962 32.1675 179.5418 17 V 3.6875 7.8822 117.9012 66.5637 31.5429 178.2209 18 R 3.8513 8.4109 118.2954 59.2951 29.6657 178.2982 19 L 3.9894 7.2731 115.9971 58.3761 41.9795 179.9156 20 V 3.8550 8.3729 112.1301 63.8864 31.5057 178.8203 21 V 3.5770 7.7754 117.7420 66.2399 30.9325 177.4963 22 D 4.4913 8.5466 118.9268 57.3649 40.4292 178.3249 23 L 4.2479 7.7794 119.3202 56.5376 42.1566 176.9599 24 I 4.4885 7.7778 109.3628 60.2114 38.7979 175.4346 25 R 3.6615 7.6797 121.8670 57.7669 30.5010 176.1701 26 G 3.7818 8.7461 115.2179 45.7366 0.0000 172.0777 27 K 4.7249 7.1177 118.1895 53.7323 37.2190 176.4702 28 S 4.7664 8.4761 115.7536 58.3149 64.8648 175.1866 29 L 4.2322 9.0064 125.8534 57.8164 41.8579 179.3032 30 E 3.9300 8.0665 119.2001 59.3166 29.7947 178.0495 31 E 3.9874 8.2500 119.1808 59.4375 29.6747 177.8229 32 A 3.9398 8.7764 120.7919 55.5545 18.3130 179.8319 33 R 3.7988 7.9955 114.8238 59.3459 30.1095 178.9632 34 N 4.4369 7.4775 113.9068 56.2514 39.1184 177.0514 35 I 3.9133 8.2440 121.5816 64.6699 37.2975 178.1801 36 L 3.9829 8.0817 119.2939 58.1669 41.3315 179.7622 37 R 3.8975 7.6504 116.2764 58.6415 29.9278 176.8129 38 Y 4.5634 7.6533 114.1526 57.7263 39.1187 175.1954 39 T 4.3621 7.9296 117.8901 62.2931 69.1599 176.1479 40 N 4.7553 8.5129 128.2241 52.2591 37.0377 173.9843 41 K 4.5574 7.5088 118.8506 54.7905 36.6079 177.2704 42 R 3.8436 9.0329 124.1755 59.5362 30.4783 178.5127 43 G 3.6961 8.4081 104.0127 47.6544 0.0000 174.8375 44 A 3.9927 8.2383 123.1571 55.7089 18.3164 178.8952 45 Y 3.8925 7.3656 116.9194 61.0828 38.7973 178.6365 46 F 4.1750 7.7627 117.9927 60.6237 39.1991 177.8795 47 V 3.6613 8.1614 118.4768 65.0137 30.7730 177.8732 48 A 3.9366 8.5888 122.1504 54.3673 18.3683 179.0874 49 K 3.6416 7.8666 117.4874 59.7384 32.1753 179.2801 50 V 3.6063 7.9535 119.1480 64.7879 31.1875 178.1539 51 L 3.8650 7.6477 120.9029 57.6139 41.8647 178.3843 52 E 3.9724 8.8490 119.4617 58.4300 29.5383 178.2403 53 S 4.2094 7.7950 112.4987 60.5583 62.1130 175.7623 54 A 4.0125 8.1999 123.5467 54.6210 18.0883 179.5980 55 A 3.8894 7.7497 119.2495 55.2320 18.5410 179.2504 56 A 3.9261 7.4112 118.6525 55.7424 18.4398 179.2795 57 N 4.2172 8.1205 114.3371 57.4706 38.7028 176.4549 58 A 3.9478 7.8015 120.2131 55.4500 18.0849 179.4622 59 V 3.4238 8.2691 112.1625 66.4896 31.6467 177.4823 60 N 4.3761 8.4330 122.1620 56.0474 39.4087 175.2475 61 N 5.0408 8.3379 113.2473 53.4306 41.1425 174.3654 62 H 4.6622 8.9111 115.2491 57.6826 30.1446 174.8273 63 D 4.4557 7.5735 112.7300 55.0875 36.9939 173.3252 64 M 4.7655 8.1644 125.9273 52.3073 34.2757 174.0847 65 L 3.5299 8.1917 120.0738 55.7703 41.6216 173.4325 66 E 3.8686 8.9384 115.9908 57.6476 28.9704 180.7229 67 D 4.0091 9.1105 121.1771 57.1003 40.7565 175.4080 68 R 4.6344 9.1097 117.0650 56.3706 30.9084 175.0039 69 L 5.0805 8.1396 119.1271 53.9127 44.1367 175.1141 70 Y 5.1745 8.5269 119.0498 55.9534 42.0772 174.2193 71 V 3.9640 8.7535 121.3457 61.8770 30.8518 176.2247 72 K 3.3282 8.1910 129.1051 58.6944 32.6054 176.4762 73 A 4.5999 7.4414 118.1435 51.2813 22.3767 174.7834 74 A 4.4470 8.2361 119.2266 51.4380 22.2574 175.0669 75 Y 4.8625 7.5534 118.2583 56.4502 42.2046 173.4595 76 V 4.9743 8.3747 118.2371 60.5343 33.9346 174.7262 77 D 4.8814 8.9838 125.5982 52.7795 43.0809 175.4300 78 E 4.5043 8.6995 122.4623 55.8962 30.5974 175.8289 79 G 4.0368 8.5149 113.7792 42.9259 0.0000 171.1701 80 P 4.0927 0.0000 0.0000 63.2447 31.1009 176.0252 81 A 4.3134 8.3056 124.6165 51.5147 19.8788 176.4319 82 L 4.3691 8.6584 121.1199 53.5662 43.1222 176.0894 83 K 4.7892 8.5664 124.3051 55.6158 33.1964 176.5352 84 R 4.7594 8.8399 123.0773 54.3185 34.6009 174.5630 85 V 4.6577 8.2516 120.0030 61.8610 33.5373 175.3857 86 L 4.7365 8.9736 128.1540 52.3062 44.2987 173.6007 87 P 4.7032 0.0000 0.0000 62.9139 32.1242 175.6198 88 R 4.8209 8.4122 119.7361 53.7424 34.5005 174.7545 89 A 4.2188 8.4275 121.9067 53.7062 18.7842 177.6885 90 R 3.8930 9.3102 117.0654 57.3319 27.4314 177.9031 91 G 3.9329 7.7346 104.3772 45.5310 0.0000 175.5687 92 R 3.6793 7.5392 118.4567 58.7569 30.2133 174.6264 93 A 3.6877 8.0306 128.0816 52.4798 16.9131 175.6286 94 D 5.1962 8.7989 121.7510 53.0195 45.0026 175.1960 95 I 5.0910 8.1472 112.4315 59.3816 39.6821 175.0246 96 I 4.2889 8.5282 121.1685 59.4974 39.8280 175.1599 97 K 4.6929 8.4508 124.7974 54.9786 32.8380 176.9998 98 K 4.2844 9.2613 126.9204 55.6065 31.3000 177.3177 99 R 4.3609 8.3434 123.8039 56.7552 31.7646 175.3699 100 T 4.9621 8.0599 116.3379 62.0475 73.2857 173.2180 101 S 4.9663 8.3265 116.4926 57.1823 67.3806 172.4592 102 H 5.4341 9.4881 118.9364 54.4991 30.9844 173.1997 103 I 4.7325 8.5979 125.4998 60.1335 39.0844 175.1916 104 T 4.9290 8.8779 123.6270 61.5977 72.0710 173.2045 105 V 4.5326 8.1999 124.7543 60.9791 35.3221 173.9220 106 I 4.9621 8.3377 127.6693 59.5702 40.2206 174.9402 107 L 4.8984 8.9162 127.8242 53.9918 43.7367 175.9587 108 G 4.6551 8.9730 107.7579 44.6196 0.0000 171.2373 109 E 4.7739 8.7191 119.2255 55.1749 30.5987 177.2351 110 K 3.5831 10.1489 128.1109 57.3175 33.2380 178.4702 111 H 3.6531 8.3292 113.8858 57.2609 31.1334 175.2883 112 G 4.0335 7.3375 115.1972 45.4750 0.0000 174.0503 113 K 4.1622 7.6644 124.3667 54.0988 31.8990 178.0818 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 8.29 4.48 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 E 8.48 4.83 0.00 2.08 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 2.17 2.37 0.00 3 A 8.81 4.65 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 4 K 8.62 4.69 0.00 1.72 1.65 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 A 8.57 4.17 1.18 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 6 I 9.26 3.05 1.87 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 1.37 0.44 0.92 0.00 0.00 7 A 8.86 4.54 1.26 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 8 R 8.27 4.69 0.00 1.77 1.92 0.00 3.29 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 9 Y 9.11 3.64 0.00 2.95 3.05 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 10 V 8.21 3.41 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 -0.06 0.00 0.00 0.96 0.00 0.00 11 R 9.38 3.99 0.00 1.83 2.17 0.00 3.48 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 12 I 6.77 4.21 1.87 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.68 0.00 0.00 13 S 8.60 4.13 0.00 3.89 3.74 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 14 P 0.00 4.20 0.00 2.29 2.30 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 15 R 8.07 3.89 0.00 1.82 2.05 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 K 8.12 4.14 0.00 2.12 1.87 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 V 7.88 3.69 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 1.00 0.00 0.00 1.04 0.00 0.00 18 R 8.41 3.85 0.00 2.06 1.99 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 19 L 7.27 3.99 0.00 1.91 1.78 0.94 0.97 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 20 V 8.37 3.86 2.11 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 0.79 0.00 0.00 1.01 0.00 0.00 21 V 7.78 3.58 2.26 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 1.12 0.00 0.00 0.94 0.00 0.00 22 D 8.55 4.49 0.00 2.87 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 23 L 7.78 4.25 0.00 1.73 1.74 0.94 1.04 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 24 I 7.78 4.49 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.92 0.00 0.00 25 R 7.68 3.66 0.00 1.82 1.90 0.00 3.39 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 1.63 1.55 0.00 26 G 8.75 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 0.00 0.00 0.00 27 K 7.12 4.72 0.00 1.94 1.68 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.44 7.81 28 S 8.48 4.77 0.00 4.08 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 29 L 9.01 4.23 0.00 1.76 1.83 0.92 0.88 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 30 E 8.07 3.93 0.00 2.09 1.93 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 2.39 2.37 0.00 31 E 8.25 3.99 0.00 2.11 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 2.32 2.34 0.00 32 A 8.78 3.94 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 33 R 8.00 3.80 0.00 2.02 2.02 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.06 0.00 34 N 7.48 4.44 0.00 3.01 2.95 0.00 0.00 7.09 7.33 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 35 I 8.24 3.91 1.98 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 1.78 1.25 0.99 0.00 0.00 36 L 8.08 3.98 0.00 1.83 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.65 3.90 0.00 2.07 1.71 0.00 3.11 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 38 Y 7.65 4.56 0.00 2.97 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 39 T 7.93 4.36 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 1.24 0.00 0.00 40 N 8.51 4.76 0.00 2.69 2.78 0.00 0.00 7.04 6.68 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 41 K 7.51 4.56 0.00 1.80 1.67 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 42 R 9.03 3.84 0.00 1.85 2.01 0.00 3.28 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 43 G 8.41 3.70 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 0.00 44 A 8.24 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 Y 7.37 3.89 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.76 4.18 0.00 3.31 3.06 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 0.00 0.00 0.00 47 V 8.16 3.66 2.26 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 0.89 0.00 0.00 0.95 0.00 0.00 48 A 8.59 3.94 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 49 K 7.87 3.64 0.00 1.55 1.87 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.44 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.38 1.35 7.81 50 V 7.95 3.61 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 0.80 0.00 0.00 0.95 0.00 0.00 51 L 7.65 3.87 0.00 1.70 1.99 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.85 3.97 0.00 2.12 1.97 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 2.26 2.32 0.00 53 S 7.80 4.21 0.00 3.90 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 54 A 8.20 4.01 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 55 A 7.75 3.89 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 56 A 7.41 3.93 1.42 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 0.00 0.00 57 N 8.12 4.22 0.00 2.79 2.94 0.00 0.00 6.99 7.50 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 58 A 7.80 3.95 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 59 V 8.27 3.42 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 0.99 0.00 0.00 0.94 0.00 0.00 60 N 8.43 4.38 0.00 2.75 3.02 0.00 0.00 7.14 8.32 0.00 0.00 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 N 8.34 5.04 0.00 2.95 2.68 0.00 0.00 6.72 7.58 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 62 H 8.91 4.66 0.00 2.96 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.57 4.46 0.00 2.87 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 64 M 8.16 4.77 0.00 2.12 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 2.63 2.53 0.00 65 L 8.19 3.53 0.00 1.87 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.94 3.87 0.00 2.06 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 2.42 2.39 0.00 67 D 9.11 4.01 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 68 R 9.11 4.63 0.00 1.85 2.16 0.00 2.73 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 69 L 8.14 5.08 0.00 1.66 1.67 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.53 5.17 0.00 3.10 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 71 V 8.75 3.96 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 0.78 0.00 0.00 0.87 0.00 0.00 72 K 8.19 3.33 0.00 1.46 1.70 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 73 A 7.44 4.60 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 74 A 8.24 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.55 4.86 0.00 2.98 3.13 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 76 V 8.37 4.97 2.15 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 0.82 0.00 0.00 0.98 0.00 0.00 77 D 8.98 4.88 0.00 2.71 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 78 E 8.70 4.50 0.00 1.94 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 2.22 2.34 0.00 79 G 8.51 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 0.00 0.00 0.00 80 P 0.00 4.09 0.00 2.02 2.00 0.00 3.46 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 81 A 8.31 4.31 1.19 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 82 L 8.66 4.37 0.00 1.73 1.59 0.84 0.80 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 83 K 8.57 4.79 0.00 1.62 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 84 R 8.84 4.76 0.00 1.68 1.76 0.00 3.26 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 85 V 8.25 4.66 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 0.75 0.00 0.00 0.93 0.00 0.00 86 L 8.97 4.74 0.00 1.69 1.49 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.70 0.00 2.11 2.03 0.00 3.75 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 1.98 2.00 0.00 88 R 8.41 4.82 0.00 1.71 1.85 0.00 3.29 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 89 A 8.43 4.22 1.26 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 90 R 9.31 3.89 0.00 1.98 2.04 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 G 7.73 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 92 R 7.54 3.68 0.00 1.82 2.02 0.00 3.32 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 1.67 1.79 0.00 93 A 8.03 3.69 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 94 D 8.80 5.20 0.00 2.56 2.58 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 95 I 8.15 5.09 1.86 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 0.66 0.90 0.00 0.00 96 I 8.53 4.29 1.86 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 1.22 0.70 0.90 0.00 0.00 97 K 8.45 4.69 0.00 1.63 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.43 7.81 98 K 9.26 4.28 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 99 R 8.34 4.36 0.00 1.70 1.97 0.00 3.50 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 100 T 8.06 4.96 4.37 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 0.99 0.00 0.00 101 S 8.33 4.97 0.00 3.81 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 0.00 102 H 9.49 5.43 0.00 3.21 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.60 4.73 1.90 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 1.26 0.65 0.93 0.00 0.00 104 T 8.88 4.93 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 0.99 0.00 0.00 105 V 8.20 4.53 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 0.92 0.00 0.00 0.85 0.00 0.00 106 I 8.34 4.96 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.90 0.00 0.00 107 L 8.92 4.90 0.00 1.59 1.58 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.97 4.66 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 E 8.72 4.77 0.00 1.92 1.88 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 2.40 2.26 0.00 110 K 10.15 3.58 0.00 1.54 1.72 0.00 1.05 0.00 0.00 1.09 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.31 7.81 111 H 8.33 3.65 0.00 3.40 3.38 0.00 5.67 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 0.00 112 G 7.34 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 0.00 113 K 7.66 4.16 0.00 1.78 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 0.99 7.81