NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3195 0.0000 0.0000 61.8849 32.5857 175.8421 3 K 3.8202 8.5610 120.6998 55.5452 32.5193 175.2043 4 K 3.9918 9.2960 127.5824 57.1646 33.7786 175.2400 5 V 5.0119 8.2877 124.8447 61.2283 34.4176 174.4102 6 L 4.9570 8.8169 126.1111 53.0642 46.4143 175.2600 7 T 5.5914 7.9109 111.0956 59.3830 70.9683 173.2387 8 G 4.2167 8.3676 111.9033 45.1892 0.0000 170.6250 9 V 4.8558 8.2393 112.4824 59.3543 34.2933 176.1958 10 V 4.2527 8.5977 125.3364 63.2394 31.9025 176.4599 11 V 4.3785 8.7551 121.3400 61.3401 32.8439 176.1145 12 S 4.7259 7.6327 116.0480 56.9266 65.8532 173.7031 13 D 4.8344 8.7165 123.4173 52.9300 40.4374 176.6900 14 K 4.2930 7.7979 116.0151 57.9116 31.6071 176.0266 15 M 4.7080 7.5472 118.9763 53.5670 33.7504 174.5493 16 Q 4.4082 8.3880 118.0255 55.5365 29.8528 176.2272 17 K 4.6716 8.7868 121.0047 56.7194 29.7445 174.9016 18 T 5.2934 7.3241 113.2510 62.4722 72.9234 173.8430 19 V 4.7540 8.3966 115.1289 60.3290 36.8615 174.1919 20 T 4.7282 8.6774 121.0009 62.5039 70.3316 173.9091 21 V 4.7286 8.7566 127.4352 60.7717 33.9573 174.2695 22 L 4.3660 8.8299 132.2185 54.8102 43.3052 175.5467 23 V 4.7245 8.7930 126.4332 61.2499 34.0764 174.8295 24 E 5.0750 8.6681 127.2300 55.5559 31.9040 175.1511 25 R 4.6131 8.0893 114.5586 55.8778 32.8747 173.7655 26 Q 5.4076 8.3756 119.1520 54.3844 32.5628 174.3555 27 F 4.7407 7.8381 112.7504 55.8531 41.6675 171.3060 28 P 4.7901 0.0000 0.0000 62.0753 32.2150 175.7448 29 H 4.1686 8.8673 125.2991 55.7454 29.9124 174.0412 30 P 4.2359 0.0000 0.0000 65.1080 31.0256 176.5100 31 L 4.4374 7.6522 117.6778 55.0503 44.0300 176.1483 32 Y 4.8352 8.2250 113.8114 56.9703 37.9402 175.3061 33 G 3.9824 6.8375 108.6154 44.9578 0.0000 173.4357 34 K 4.9068 6.9953 117.5031 50.5509 33.1918 175.5560 35 V 4.0370 8.4182 127.5637 63.1518 32.5998 175.0266 36 I 4.5922 8.2976 119.3242 59.1886 40.9115 174.3288 37 K 4.9813 8.4900 123.7400 55.6408 34.0604 175.6289 38 R 4.8848 8.5779 121.1210 55.3597 33.9150 173.7422 39 S 5.2127 8.5905 117.7635 56.7667 66.7144 172.8735 40 K 4.5249 8.8163 120.4730 55.1566 35.8975 174.4474 41 K 4.8814 8.4205 126.1875 55.1467 33.7209 175.2187 42 Y 4.6709 8.5662 122.4964 56.0816 40.7402 174.8272 43 L 4.9856 8.6210 123.0756 53.8304 43.4138 175.9398 44 A 4.8101 9.0564 126.6565 50.8654 21.7143 175.0851 45 H 4.7271 8.7335 119.6196 55.2027 31.4075 173.5285 46 D 4.9834 8.4982 128.0776 51.6137 40.3383 174.8291 47 P 4.3205 0.0000 0.0000 64.1904 31.7045 177.6333 48 E 4.5654 7.9266 116.5433 55.1104 30.2889 175.3963 49 E 3.9802 8.1610 117.0015 57.5016 27.1363 175.2604 50 K 4.3215 8.5543 113.8731 56.5821 33.3819 175.1550 51 Y 4.3916 8.5659 118.5582 56.2927 39.0818 175.7400 52 K 4.4399 7.8869 124.8809 54.6901 34.7638 175.4952 53 L 4.1469 8.1391 121.2149 56.3033 42.4888 176.5580 54 G 4.1114 8.8311 114.0484 45.3557 0.0000 173.2195 55 D 4.8683 7.8314 119.4388 54.2630 42.3793 175.8014 56 V 4.5736 8.9483 123.4530 61.8617 32.9971 175.0093 57 V 5.0599 8.6086 121.1777 59.5515 36.0861 174.1299 58 E 5.0451 8.4848 120.0781 55.0827 32.1590 176.0666 59 I 4.7895 9.1313 126.0248 59.7878 39.9745 174.4943 60 I 5.0450 8.4366 124.1527 59.0563 40.9896 173.7407 61 E 2.9053 9.2450 130.2833 56.4488 29.7451 176.1552 62 S 4.7414 7.7882 121.9950 56.2517 67.2680 173.6693 63 R 3.9871 8.3736 120.4823 55.2632 30.4007 174.1917 64 P 4.3210 0.0000 0.0000 63.6903 31.6224 176.0598 65 I 4.2336 7.9562 122.6580 60.8434 38.7949 175.4510 66 S 4.5790 7.4772 114.0344 57.4273 64.2235 176.0789 67 K 4.0694 8.5579 121.8790 57.5224 32.3515 176.3628 68 R 3.9884 8.8067 124.8453 57.7418 28.9967 177.4550 69 K 4.4748 7.2693 120.4182 56.5845 31.4249 176.9528 70 R 4.7006 8.6526 122.6124 55.4081 32.6958 174.9020 71 F 5.2408 8.2190 116.1874 56.2268 43.9204 173.5417 72 R 5.0602 8.4612 118.6040 54.1790 34.4037 175.0257 73 V 3.5657 7.7390 120.7992 62.7681 31.2175 175.2506 74 L 4.3322 9.2674 133.5667 56.5240 41.4395 176.5367 75 R 4.8755 7.5046 112.5526 54.7300 33.5982 172.8731 76 L 4.1921 8.5628 122.2649 55.6251 42.6635 174.7166 77 V 3.9108 9.0675 127.6414 63.0534 30.8433 175.7183 78 E 4.8841 8.5011 114.9662 54.4520 34.0708 175.6479 79 S 4.8542 8.7700 114.1198 57.8035 65.0139 174.1700 80 G 4.1003 9.0498 116.0326 46.3817 0.0000 173.9725 81 R 4.7933 7.9225 115.1550 54.8355 29.9244 178.4030 82 M 4.2466 7.8221 118.1875 57.4388 32.1786 177.8957 83 D 4.4071 7.9567 119.9665 56.2723 39.9614 178.4090 84 L 4.0270 8.0642 120.4981 57.4912 41.7310 179.3261 85 V 3.7178 7.9043 117.6803 66.0362 31.2535 177.9304 86 E 3.9590 7.9779 118.0843 59.4415 29.2678 179.1166 87 K 3.9638 7.7129 118.5860 60.0142 32.0555 178.3378 88 Y 4.2629 8.0797 119.4253 60.1365 38.8163 177.0519 89 L 3.5561 8.2408 119.5916 58.1832 41.9792 179.6878 90 I 3.5556 8.0593 119.4963 64.4806 36.8505 178.3785 91 R 3.6571 7.1599 118.1074 59.5174 30.0065 178.3807 92 R 3.0426 7.8623 118.4977 58.8058 29.4436 178.1071 93 Q 4.0050 8.2682 119.7367 58.5768 29.1865 177.1364 94 N 4.1823 7.7291 116.6668 54.9193 38.3958 176.5931 95 Y 4.3868 7.1585 118.0372 61.3543 37.8309 178.0544 96 E 4.0819 7.5468 117.7099 59.5250 29.6601 178.9830 97 S 4.5471 7.8138 112.0845 58.9572 63.2182 174.5155 98 L 4.6807 8.2228 121.3995 54.3536 42.1175 176.6891 99 S 4.8066 7.6501 114.7940 57.3335 65.5680 174.2588 100 K 4.1346 8.2633 119.1656 57.4492 32.8893 175.8490 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 P 0.00 4.32 0.00 2.19 2.12 0.00 3.74 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 1.88 1.99 0.00 3 K 8.56 3.82 0.00 1.73 1.92 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 4 K 9.30 3.99 0.00 1.93 1.91 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.48 7.81 5 V 8.29 5.01 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 0.89 0.00 0.00 1.01 0.00 0.00 6 L 8.82 4.96 0.00 1.18 1.25 0.18 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.91 5.59 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 8 G 8.37 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 0.00 0.00 0.00 0.00 9 V 8.24 4.86 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 0.68 0.00 0.00 0.93 0.00 0.00 10 V 8.60 4.25 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 1.00 0.00 0.00 0.94 0.00 0.00 11 V 8.76 4.38 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 0.45 0.00 0.00 0.58 0.00 0.00 12 S 7.63 4.73 0.00 3.89 3.65 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 0.00 0.00 0.00 0.00 13 D 8.72 4.83 0.00 2.83 2.82 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 14 K 7.80 4.29 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.55 4.71 0.00 1.98 2.01 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 2.55 2.49 0.00 16 Q 8.39 4.41 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 17 K 8.79 4.67 0.00 2.00 1.92 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 18 T 7.32 5.29 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 1.29 0.00 0.00 19 V 8.40 4.75 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 0.74 0.00 0.00 0.88 0.00 0.00 20 T 8.68 4.73 4.19 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 1.13 0.00 0.00 21 V 8.76 4.73 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 0.88 0.00 0.00 0.86 0.00 0.00 22 L 8.83 4.37 0.00 1.47 1.37 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.79 4.72 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 0.90 0.00 0.00 0.97 0.00 0.00 24 E 8.67 5.08 0.00 1.91 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 2.28 2.31 0.00 25 R 8.09 4.61 0.00 1.86 2.02 0.00 2.83 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 26 Q 8.38 5.41 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 27 F 7.84 4.74 0.00 3.13 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 28 P 0.00 4.79 0.00 2.04 2.09 0.00 3.88 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 2.09 2.13 0.00 29 H 8.87 4.17 0.00 3.18 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.12 2.19 0.00 3.62 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 1.71 1.94 0.00 31 L 7.65 4.44 0.00 1.29 1.18 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.23 4.84 0.00 2.91 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 33 G 6.84 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 0.00 0.00 0.00 34 K 7.00 4.91 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.42 4.04 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 0.85 0.00 0.00 0.92 0.00 0.00 36 I 8.30 4.59 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.82 0.00 0.00 37 K 8.49 4.98 0.00 1.65 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 38 R 8.58 4.88 0.00 2.18 1.89 0.00 3.31 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 39 S 8.59 5.21 0.00 3.89 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 40 K 8.82 4.52 0.00 1.77 1.59 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.15 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.49 1.12 7.81 41 K 8.42 4.88 0.00 1.58 1.63 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.39 7.81 42 Y 8.57 4.67 0.00 2.72 2.66 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 43 L 8.62 4.99 0.00 1.67 1.65 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.06 4.81 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 45 H 8.73 4.73 0.00 3.31 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.50 4.98 0.00 2.79 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 47 P 0.00 4.32 0.00 2.25 2.22 0.00 3.76 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 2.02 2.04 0.00 48 E 7.93 4.57 0.00 1.98 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 2.27 0.00 49 E 8.16 3.98 0.00 2.06 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 2.25 2.23 0.00 50 K 8.55 4.32 0.00 1.64 1.83 0.00 1.39 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.09 7.81 51 Y 8.57 4.39 0.00 3.08 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 52 K 7.89 4.44 0.00 1.89 1.96 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.71 1.37 7.81 53 L 8.14 4.15 0.00 1.65 1.64 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.83 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 0.00 0.00 0.00 55 D 7.83 4.87 0.00 2.85 2.70 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 56 V 8.95 4.57 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 1.04 0.00 0.00 0.94 0.00 0.00 57 V 8.61 5.06 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 0.82 0.00 0.00 0.82 0.00 0.00 58 E 8.48 5.05 0.00 1.81 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 2.19 2.24 0.00 59 I 9.13 4.79 1.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.63 0.96 0.00 0.00 60 I 8.44 5.05 1.90 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 1.11 1.51 0.99 0.00 0.00 61 E 9.25 2.91 0.00 1.97 1.80 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 2.13 1.96 0.00 62 S 7.79 4.74 0.00 3.64 3.66 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 63 R 8.37 3.99 0.00 1.72 1.77 0.00 3.39 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 64 P 0.00 4.32 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 65 I 7.96 4.23 1.84 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 1.24 0.68 0.77 0.00 0.00 66 S 7.48 4.58 0.00 4.00 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 67 K 8.56 4.07 0.00 1.74 1.79 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.81 3.99 0.00 2.03 2.06 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 69 K 7.27 4.47 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.70 1.42 7.81 70 R 8.65 4.70 0.00 1.84 1.61 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 71 F 8.22 5.24 0.00 2.91 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 72 R 8.46 5.06 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 73 V 7.74 3.57 1.53 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 -0.33 0.00 0.00 0.62 0.00 0.00 74 L 9.27 4.33 0.00 1.70 1.64 0.94 0.90 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 75 R 7.50 4.88 0.00 1.93 2.00 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 76 L 8.56 4.19 0.00 1.90 1.68 1.12 0.93 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 77 V 9.07 3.91 2.33 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 0.83 0.00 0.00 0.94 0.00 0.00 78 E 8.50 4.88 0.00 2.05 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 2.25 2.27 0.00 79 S 8.77 4.85 0.00 3.80 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 80 G 9.05 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 81 R 7.92 4.79 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.50 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 82 M 7.82 4.25 0.00 2.04 2.12 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 2.70 2.56 0.00 83 D 7.96 4.41 0.00 2.88 2.93 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 84 L 8.06 4.03 0.00 1.84 1.77 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.90 3.72 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 1.14 0.00 0.00 0.96 0.00 0.00 86 E 7.98 3.96 0.00 2.24 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 2.54 2.50 0.00 87 K 7.71 3.96 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.63 7.81 88 Y 8.08 4.26 0.00 3.07 3.12 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 89 L 8.24 3.56 0.00 1.70 1.66 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.06 3.56 1.89 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 1.52 1.07 0.84 0.00 0.00 91 R 7.16 3.66 0.00 1.84 1.96 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 92 R 7.86 3.04 0.00 1.19 1.54 0.00 3.01 0.00 0.00 2.90 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 93 Q 8.27 4.01 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 94 N 7.73 4.18 0.00 2.73 2.75 0.00 0.00 6.87 7.49 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 95 Y 7.16 4.39 0.00 3.04 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 96 E 7.55 4.08 0.00 1.82 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 2.39 2.43 0.00 97 S 7.81 4.55 0.00 3.98 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 98 L 8.22 4.68 0.00 1.59 1.68 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.65 4.81 0.00 3.97 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 0.00 100 K 8.26 4.13 0.00 1.71 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81