NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9692 8.3544 109.7384 44.8568 0.0000 173.1066 2 S 4.3710 7.5482 112.4656 55.7665 65.1016 171.4389 3 P 4.7021 0.0000 0.0000 62.0245 33.1624 175.6600 4 E 4.2471 8.6905 118.0344 57.2192 29.7454 177.2281 5 F 4.4385 8.3337 124.5586 57.5905 38.5927 173.3112 6 R 3.9705 8.6550 128.0117 55.1387 27.7384 175.2562 7 W 4.8645 7.4128 122.6069 55.0342 29.9449 175.7847 8 T 4.1509 8.4222 108.8505 64.7788 67.3335 177.7980 9 K 4.3014 7.2077 120.5134 58.9251 31.7819 178.4884 10 E 3.8085 6.1677 120.2008 57.9786 28.8427 178.4840 11 E 4.5777 7.2511 120.3412 58.9903 29.2123 178.8948 12 E 3.9606 8.1208 118.5036 59.1050 29.2021 178.9328 13 E 4.0609 7.9860 118.6339 59.6360 29.8082 179.2659 14 T 3.9887 7.2719 109.9947 63.1900 68.8376 173.7162 15 R 3.4071 7.3239 121.1637 60.0786 29.3708 173.8741 16 Q 4.2258 8.2623 128.7305 56.4445 26.1207 175.2769 17 M 3.3964 7.4927 118.8837 57.9499 32.1223 177.9777 18 Y 4.3092 7.8957 115.9614 61.0440 37.5563 177.8561 19 D 4.0048 6.7885 114.5137 57.2416 42.4707 177.3924 20 M 4.3844 8.1977 117.7797 57.7265 32.6595 179.2684 21 V 4.2020 8.1433 120.0315 64.4688 31.7678 178.2655 22 V 3.7548 8.4119 120.4637 64.9168 30.8065 178.6788 23 K 3.9815 7.6863 119.1498 59.4467 31.9419 179.4218 24 I 3.6848 7.7135 119.8589 64.0337 37.1485 178.3284 25 I 3.9675 8.3510 115.8022 63.2228 37.4009 177.9889 26 D 4.2296 7.9476 119.5433 57.1217 41.1326 177.9423 27 V 3.6205 7.7876 118.8156 66.2803 31.5597 178.0393 28 L 4.0809 7.9347 118.1143 58.0149 41.3753 179.5378 29 R 3.9830 7.8785 117.0009 59.3023 30.2244 178.5967 30 S 4.2946 8.0677 114.9116 61.9920 62.9329 176.3075 31 H 4.0928 8.1555 118.3057 58.6775 28.1162 177.5024 32 N 4.5978 8.3723 118.4562 56.5043 38.2034 177.1643 33 E 3.9662 7.6478 116.8385 59.4167 29.7916 178.8142 34 A 4.0624 7.7959 120.2053 54.5389 18.3608 178.6397 35 C 4.0791 7.6459 118.0022 62.2907 31.4630 175.3713 36 Q 4.3700 7.8385 117.3027 58.2195 28.3193 177.4919 37 E 4.1070 8.0332 120.9819 58.1947 30.1812 175.3353 38 N 4.9094 7.3447 113.8650 50.9557 40.7481 174.4824 39 K 4.1160 8.1106 118.3359 58.8452 33.1247 176.7467 40 D 4.5948 7.4776 120.3767 50.8853 41.7020 175.4523 41 L 4.0427 8.4127 125.0658 57.7487 40.4665 177.2768 42 Q 4.6769 7.6208 118.7372 54.8903 29.3668 175.7197 43 P 4.3150 0.0000 0.0000 65.9515 31.6919 176.4033 44 Y 5.0002 7.5039 111.5598 57.2667 42.4494 174.0933 45 M 5.1289 8.9225 119.8093 53.1584 35.8075 172.8432 46 P 4.9895 0.0000 0.0000 62.3705 33.6639 177.2475 47 I 3.9666 8.6072 119.6794 64.1771 36.8672 176.6937 48 P 4.5425 0.0000 0.0000 65.5981 30.5671 177.3786 49 H 4.2485 8.0983 118.2518 59.4736 29.5233 177.1984 50 V 3.3517 7.6814 117.7905 66.0445 31.6056 177.9114 51 R 3.7910 8.1664 116.9019 58.7779 30.1895 178.3585 52 D 4.4708 9.1015 120.4185 56.1691 39.3912 178.5997 53 S 4.1515 7.5541 115.7032 60.7039 62.7932 175.6069 54 L 4.1129 7.6898 120.8025 58.0623 40.9097 177.4537 55 I 4.4291 7.5807 120.0619 60.2389 41.5336 175.4671 56 Q 4.0541 8.9137 125.4471 58.3800 29.8471 174.8605 57 P 5.0466 0.0000 0.0000 62.6902 29.9325 178.1436 58 H 4.2851 8.9493 115.6391 58.5928 29.7961 175.1214 59 D 4.6829 8.0813 117.5851 54.1703 40.9765 177.7430 60 R 4.5633 8.0549 116.3229 58.8033 29.1954 178.6094 61 K 4.0947 8.0056 119.6638 57.9601 31.9725 178.3239 62 K 4.0181 7.6522 118.5586 59.4457 32.5228 177.6445 63 M 4.6809 7.7694 117.4171 54.9152 32.5561 177.1028 64 K 4.2167 8.4814 122.3799 59.3307 32.1409 178.9210 65 K 4.2821 8.0472 117.8373 59.1630 32.3400 178.9722 66 V 3.7679 7.7668 118.3636 65.3981 31.5574 177.4637 67 W 4.1909 8.2046 128.2272 60.5137 30.1161 177.4547 68 D 4.1772 7.2401 114.9498 57.3455 40.5554 178.6163 69 R 3.7178 7.6521 118.1099 59.1437 30.2618 177.8667 70 A 3.3811 7.5315 120.5230 55.1317 18.1462 179.5100 71 V 3.0402 6.5240 116.3411 66.0826 31.0687 177.6637 72 D 4.1787 7.2191 116.8531 57.2103 41.2776 178.2033 73 F 4.5179 7.3094 117.6059 60.5242 39.0245 176.8764 74 L 4.0849 7.9117 119.7278 58.5448 41.7131 178.9053 75 A 3.9517 8.1857 117.9880 53.9030 18.4229 177.8569 76 A 4.3712 7.5090 118.6692 53.0591 19.2278 177.7659 77 N 5.0028 7.9464 108.9193 52.4344 39.8152 174.3029 78 E 4.6893 9.1595 119.6023 55.0273 33.1378 174.5281 79 S 4.9452 8.1385 117.6311 57.8699 63.4620 173.5346 80 R 4.3904 7.5114 123.2596 55.3262 30.8330 175.6250 81 V 3.7494 6.9580 113.3108 61.0520 34.7099 172.6258 82 R 4.5689 8.8185 126.1680 55.4047 31.9096 174.9547 83 T 4.8920 8.5097 122.3475 62.2809 70.1564 173.6959 84 E 4.7367 8.8261 125.7071 55.0143 33.9410 173.8372 85 T 4.9264 8.5146 122.0091 62.3069 69.8001 174.0659 86 R 4.6792 8.7382 126.6593 54.3153 34.1662 173.8511 87 R 4.7653 8.5196 125.4106 55.2482 31.2134 175.5956 88 I 4.3815 8.5478 120.2227 60.0523 39.9089 175.7685 89 G 3.6132 9.6982 112.7564 46.3422 0.0000 174.0057 90 G 3.8401 8.7541 105.1397 44.7197 0.0000 173.4606 91 A 4.4207 7.6581 120.7950 49.6647 22.4706 175.3525 92 D 5.1430 8.1101 121.7468 52.4934 41.9769 175.2138 93 F 5.1566 8.1971 123.5794 55.4775 43.7982 173.4815 94 L 5.0163 8.5329 121.8087 54.2392 42.9577 175.8741 95 V 4.7694 8.7012 118.3087 59.4388 36.5522 174.2793 96 W 5.3789 8.9071 121.6659 55.2396 32.0215 175.0442 97 R 4.9575 8.9928 123.1049 54.2686 33.8582 173.4010 98 W 4.4321 8.7731 133.6189 56.5598 31.5716 175.3940 99 I 4.5285 7.9737 120.2016 58.8272 39.3477 174.6720 100 Q 4.9949 8.4963 121.5112 52.4839 29.6995 173.4104 101 P 4.3108 0.0000 0.0000 63.2855 32.0901 177.5622 102 S 4.2420 8.5767 111.5905 59.0155 62.6563 169.7999 103 A 3.9423 8.4543 125.5679 53.8823 17.7713 179.0663 104 S 4.4355 8.0182 109.8299 60.9053 63.6010 174.9849 105 C 4.4585 7.7107 116.2231 56.6584 28.0997 171.1802 106 D 4.8664 7.8904 125.5897 53.0454 44.1461 174.4200 107 K 4.5903 8.2340 122.7878 56.1357 35.3243 174.6081 108 I 4.5800 8.0996 119.7829 59.3891 40.2566 176.1434 109 L 4.7550 8.0649 126.1946 54.8114 41.8267 176.8307 110 V 3.5789 8.5238 115.6138 64.0634 31.5565 175.5629 111 I 4.2042 7.3497 120.2482 58.1203 37.9929 173.3954 112 P 4.4825 0.0000 0.0000 63.2912 29.1609 176.9674 113 S 4.4845 7.8788 122.8404 55.7902 61.5625 172.8666 114 K 4.5156 7.2049 120.2348 55.6998 35.6711 176.1131 115 V 4.0990 7.1545 117.9972 60.0740 33.5092 177.5581 116 W 4.5261 6.6670 119.5014 58.4459 30.0498 175.4259 117 Q 4.5166 8.6069 118.5424 53.4135 31.8473 175.8154 118 G 4.9694 8.1784 123.0445 47.3036 0.0000 173.1293 119 Q 3.8888 7.9968 119.6518 56.4963 28.6726 177.3002 120 A 4.6535 8.2603 125.0413 52.4731 19.4639 179.8447 121 F 4.9551 8.8275 118.6913 58.8062 43.0163 172.9748 122 H 4.8692 8.3084 116.1891 55.3437 31.0227 172.0041 123 L 4.0986 8.9652 130.2939 55.3596 41.3749 173.6261 124 D 4.4920 7.7950 116.6234 53.4551 41.0040 175.3386 125 R 3.5295 8.3544 121.3298 57.1800 27.3088 177.8274 126 R 4.3662 7.4772 120.3623 55.1129 29.1573 176.0643 127 L 5.0058 7.4600 119.8881 53.1410 44.9175 175.3888 128 E 4.7295 8.3986 118.8488 55.2175 32.1718 176.5253 129 R 4.0779 8.5828 118.6173 58.9797 30.2137 176.1874 130 P 4.4558 0.0000 0.0000 62.8576 32.1510 174.8257 131 H 5.0851 8.1848 116.1854 54.0989 33.0595 174.1880 132 R 4.2057 8.2585 114.7527 56.3748 27.2182 176.3038 133 D 4.9970 7.8581 121.6509 55.3785 40.2925 174.9567 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 G 8.35 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 0.00 0.00 0.00 2 S 7.55 4.37 0.00 3.88 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 3 P 0.00 4.70 0.00 2.17 2.05 0.00 3.74 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 2.05 2.13 0.00 4 E 8.69 4.25 0.00 2.07 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 2.35 2.30 0.00 5 F 8.33 4.44 0.00 3.01 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 6 R 8.65 3.97 0.00 2.03 1.94 0.00 3.20 0.00 0.00 3.12 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 7 W 7.41 4.86 0.00 3.17 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.15 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 1.33 0.00 0.00 9 K 7.21 4.30 0.00 2.22 2.04 0.00 1.95 0.00 0.00 2.11 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.85 7.81 10 E 6.17 3.81 0.00 1.16 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 2.23 2.13 0.00 11 E 7.25 4.58 0.00 2.26 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 2.28 2.08 0.00 12 E 8.12 3.96 0.00 1.99 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 2.32 2.38 0.00 13 E 7.99 4.06 0.00 2.20 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 2.41 2.42 0.00 14 T 7.27 3.99 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 1.25 0.00 0.00 15 R 7.32 3.41 0.00 1.89 1.81 0.00 3.23 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 16 Q 8.26 4.23 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.80 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 17 M 7.49 3.40 0.00 0.51 1.59 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 18 Y 7.90 4.31 0.00 2.98 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 19 D 6.79 4.00 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.20 4.38 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.72 0.00 21 V 8.14 4.20 2.40 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 1.23 0.00 0.00 1.31 0.00 0.00 22 V 8.41 3.75 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 0.98 0.00 0.00 0.89 0.00 0.00 23 K 7.69 3.98 0.00 2.16 1.88 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.53 7.81 24 I 7.71 3.68 1.83 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.54 0.00 0.00 25 I 8.35 3.97 1.94 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.96 0.00 0.00 26 D 7.95 4.23 0.00 2.97 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 27 V 7.79 3.62 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 1.01 0.00 0.00 0.94 0.00 0.00 28 L 7.93 4.08 0.00 1.59 1.52 0.16 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.88 3.98 0.00 1.85 2.07 0.00 3.22 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 30 S 8.07 4.29 0.00 4.06 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 31 H 8.16 4.09 0.00 2.97 2.19 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.37 4.60 0.00 3.08 2.99 0.00 0.00 7.53 7.25 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 33 E 7.65 3.97 0.00 2.23 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 2.30 2.56 0.00 34 A 7.80 4.06 1.25 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 0.00 0.00 0.00 35 C 7.65 4.08 0.00 2.86 3.02 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 36 Q 7.84 4.37 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 37 E 8.03 4.11 0.00 1.94 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 2.25 2.43 0.00 38 N 7.34 4.91 0.00 2.82 2.71 0.00 0.00 7.37 7.44 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 39 K 8.11 4.12 0.00 1.85 1.88 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.48 7.81 40 D 7.48 4.59 0.00 2.84 2.84 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 0.00 41 L 8.41 4.04 0.00 1.59 1.69 0.47 0.46 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 42 Q 7.62 4.68 0.00 2.08 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 43 P 0.00 4.31 0.00 2.14 2.19 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 44 Y 7.50 5.00 0.00 2.88 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 45 M 8.92 5.13 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 46 P 0.00 4.99 0.00 2.20 2.30 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.06 0.00 47 I 8.61 3.97 1.88 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.64 0.83 0.00 0.00 48 P 0.00 4.54 0.00 2.27 2.36 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 49 H 8.10 4.25 0.00 3.31 3.57 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.68 3.35 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 0.01 0.00 0.00 0.53 0.00 0.00 51 R 8.17 3.79 0.00 1.79 2.00 0.00 3.33 0.00 0.00 3.51 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 52 D 9.10 4.47 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 53 S 7.55 4.15 0.00 3.82 3.86 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 54 L 7.69 4.11 0.00 1.77 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.58 4.43 2.03 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 1.31 0.63 0.95 0.00 0.00 56 Q 8.91 4.05 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 57 P 0.00 5.05 0.00 2.20 1.46 0.00 3.76 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 1.97 1.95 0.00 58 H 8.95 4.29 0.00 3.12 3.39 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.08 4.68 0.00 2.76 2.67 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 60 R 8.05 4.56 0.00 2.05 2.24 0.00 3.00 0.00 0.00 3.76 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 61 K 8.01 4.09 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.45 7.81 62 K 7.65 4.02 0.00 1.91 2.04 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 63 M 7.77 4.68 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 64 K 8.48 4.22 0.00 2.10 1.92 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.58 7.81 65 K 8.05 4.28 0.00 1.80 1.88 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 66 V 7.77 3.77 2.34 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 1.07 0.00 0.00 0.98 0.00 0.00 67 W 8.20 4.19 0.00 3.71 3.29 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 D 7.24 4.18 0.00 2.80 2.65 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 69 R 7.65 3.72 0.00 1.79 1.95 0.00 2.97 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 70 A 7.53 3.38 1.22 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 71 V 6.52 3.04 1.55 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 0.89 0.00 0.00 -0.06 0.00 0.00 72 D 7.22 4.18 0.00 2.46 2.40 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 73 F 7.31 4.52 0.00 3.22 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 74 L 7.91 4.08 0.00 1.83 1.85 1.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.19 3.95 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 76 A 7.51 4.37 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 77 N 7.95 5.00 0.00 2.78 2.88 0.00 0.00 6.08 7.92 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 78 E 9.16 4.69 0.00 1.91 1.77 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 2.15 2.20 0.00 79 S 8.14 4.95 0.00 3.87 3.71 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 80 R 7.51 4.39 0.00 1.68 1.74 0.00 3.33 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 81 V 6.96 3.75 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 0.30 0.00 0.00 -0.92 0.00 0.00 82 R 8.82 4.57 0.00 1.85 1.86 0.00 3.12 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 83 T 8.51 4.89 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 0.81 0.00 0.00 84 E 8.83 4.74 0.00 2.03 1.81 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 2.30 2.34 0.00 85 T 8.51 4.93 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 1.25 0.00 0.00 86 R 8.74 4.68 0.00 2.01 1.75 0.00 3.14 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 87 R 8.52 4.77 0.00 1.78 1.76 0.00 3.18 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 88 I 8.55 4.38 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.81 0.00 0.00 89 G 9.70 3.61 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 0.00 0.00 0.00 90 G 8.75 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 0.00 0.00 0.00 0.00 91 A 7.66 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.11 5.14 0.00 2.50 2.42 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 93 F 8.20 5.16 0.00 3.00 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 94 L 8.53 5.02 0.00 1.62 1.50 0.95 0.69 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 95 V 8.70 4.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.19 0.00 0.00 96 W 8.91 5.38 0.00 3.35 2.69 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 97 R 8.99 4.96 0.00 1.69 1.70 0.00 2.50 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 98 W 8.77 4.43 0.00 3.48 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 99 I 7.97 4.53 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.88 0.00 0.00 100 Q 8.50 4.99 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 101 P 0.00 4.31 0.00 2.07 2.03 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 102 S 8.58 4.24 0.00 4.16 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 0.00 103 A 8.45 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.44 0.00 3.89 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 0.00 105 C 7.71 4.46 0.00 3.09 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 0.00 106 D 7.89 4.87 0.00 2.58 2.53 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 0.00 0.00 0.00 0.00 107 K 8.23 4.59 0.00 1.86 1.74 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.46 7.81 108 I 8.10 4.58 1.87 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 1.48 0.96 0.89 0.00 0.00 109 L 8.06 4.76 0.00 1.74 1.64 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.52 3.58 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 0.78 0.00 0.00 0.92 0.00 0.00 111 I 7.35 4.20 1.85 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 1.39 0.78 0.89 0.00 0.00 112 P 0.00 4.48 0.00 1.99 1.95 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 113 S 7.88 4.48 0.00 3.82 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 0.00 114 K 7.20 4.52 0.00 1.73 1.70 0.00 1.25 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.43 7.81 115 V 7.15 4.10 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 0.86 0.00 0.00 0.85 0.00 0.00 116 W 6.67 4.53 0.00 3.33 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 0.00 117 Q 8.61 4.52 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.25 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 118 G 8.18 4.97 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 0.00 0.00 0.00 119 Q 8.00 3.89 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 120 A 8.26 4.65 0.95 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 0.00 121 F 8.83 4.96 0.00 3.01 3.03 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 0.00 122 H 8.31 4.87 0.00 3.24 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.97 4.10 0.00 1.89 1.97 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.79 4.49 0.00 2.72 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 0.00 125 R 8.35 3.53 0.00 1.51 1.59 0.00 2.72 0.00 0.00 2.73 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 126 R 7.48 4.37 0.00 1.84 1.90 0.00 3.40 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 127 L 7.46 5.01 0.00 1.61 1.60 0.81 0.94 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 0.00 128 E 8.40 4.73 0.00 1.98 1.91 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 2.25 2.27 0.00 129 R 8.58 4.08 0.00 1.82 2.08 0.00 3.29 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 130 P 0.00 4.46 0.00 2.31 2.05 0.00 3.74 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 2.01 2.00 0.00 131 H 8.18 5.09 0.00 3.10 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.26 4.21 0.00 1.92 1.99 0.00 3.07 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 133 D 7.86 5.00 0.00 2.87 2.83 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