NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4828 8.1633 120.6104 55.1475 33.9841 174.3851 2 K 4.2812 8.6813 125.1914 55.9596 33.2877 174.6920 3 K 4.6591 9.5697 123.8888 54.9386 36.9419 174.3875 4 H 4.9258 9.2156 117.4566 54.6482 31.2028 173.0152 5 I 5.0284 8.8420 124.9156 59.5039 39.9100 174.9465 6 I 4.8365 8.8744 127.9021 59.8930 39.1712 174.5570 7 I 4.7039 8.9943 129.0194 59.6198 39.1588 174.7731 8 K 4.7904 9.0450 129.8924 55.9387 33.1543 175.9365 9 T 5.1515 8.7015 118.0008 59.3148 72.1638 173.5847 10 I 3.9126 8.1811 115.5004 59.9672 38.0450 174.5652 11 P 4.2468 0.0000 0.0000 64.1829 31.6766 177.8629 12 K 4.1411 8.3102 120.2318 57.1235 31.1136 177.8187 13 K 4.5613 7.4904 117.0768 56.0593 32.3914 177.6562 14 E 3.9813 8.1603 121.1892 59.6168 29.4331 178.6246 15 E 3.9515 8.1755 118.5470 59.4579 29.7692 178.5540 16 I 3.7681 7.7580 118.0460 64.1861 38.0728 177.6908 17 I 3.9928 8.0259 120.7606 64.4095 36.9224 178.3519 18 S 4.1125 8.3512 114.0462 61.3852 62.3220 176.1899 19 R 4.0399 8.0769 121.3769 59.7273 29.9233 178.2692 20 D 4.5226 8.4892 118.7028 57.1165 40.7859 178.5462 21 L 3.8039 8.5069 121.2972 58.2890 42.0626 178.4102 22 C 4.3713 8.2425 116.2964 60.1440 39.9026 175.8222 23 D 4.2809 7.9439 119.1602 56.9959 40.4076 177.6677 24 C 4.5288 7.9667 118.5935 59.7070 45.2981 175.3739 25 I 3.9585 8.2943 121.5970 63.9136 36.4081 177.4010 26 Y 4.0566 8.0768 121.0551 61.1001 38.2602 177.5413 27 Y 4.0834 8.2036 118.2731 61.2882 38.7382 177.4849 28 Y 4.5048 7.7914 115.6727 59.3254 38.8088 175.2641 29 D 4.2982 7.5482 119.4740 53.1529 42.1976 175.1416 30 N 3.3682 8.2265 124.0026 54.8117 38.7051 176.3321 31 S 4.5762 7.8696 113.6867 58.1692 63.2310 174.7384 32 V 4.0306 7.3710 120.7989 62.0885 31.9549 175.7334 33 I 4.7232 8.1980 122.6119 59.8766 40.5736 173.9000 34 C 5.5870 8.8189 122.8881 55.2642 44.4267 173.3879 35 K 5.0517 9.2421 119.8580 54.8791 36.0296 173.3787 36 P 4.7314 0.0000 0.0000 63.0718 31.5212 175.8184 37 I 4.4060 8.3825 121.3560 60.8318 40.1139 174.5403 38 G 3.9690 7.4217 106.8377 44.3455 0.0000 170.3152 39 P 4.5764 0.0000 0.0000 64.0152 31.5044 176.6477 40 S 3.9012 9.7679 117.7864 58.3137 61.2847 171.1635 41 K 5.1702 8.1728 119.0581 54.6747 36.0946 175.4686 42 V 4.8592 8.8126 124.2146 61.2189 34.8489 173.3791 43 Y 5.2058 9.0176 129.2751 56.6262 40.4484 174.2588 44 V 4.4691 8.4730 125.7628 60.9124 35.4176 173.9258 45 S 5.2339 8.0668 121.9716 56.6101 64.5471 172.5389 46 T 4.2939 7.8072 120.4199 61.4029 71.0830 172.4212 47 S 4.7983 8.2784 118.5426 57.5472 63.5988 175.6253 48 L 3.9372 8.4292 124.5155 58.1441 41.8275 179.0032 49 E 3.8294 8.0400 118.9405 59.3287 29.3792 178.4579 50 N 4.0247 7.9301 115.9961 55.9553 38.6127 176.9267 51 L 3.9402 7.7198 121.7223 58.1675 42.3076 178.9647 52 E 3.9635 8.3696 117.7684 59.2950 29.2676 179.0812 53 K 3.8745 7.6963 118.7014 59.3680 32.2742 178.1485 54 C 4.5795 7.7914 115.1693 59.6908 40.1972 176.0863 55 L 3.8904 8.0550 119.9517 57.2030 41.2392 178.7722 56 Q 4.2382 7.7945 115.4701 56.6364 29.5101 176.4850 57 L 4.2836 7.6420 122.2071 54.7517 42.2615 177.2226 58 H 4.0402 9.1878 121.3514 59.9779 29.3871 176.8743 59 Y 4.0503 8.0140 119.3407 60.5840 38.8910 177.3969 60 F 4.4033 7.9994 117.6701 59.5426 39.2665 177.7838 61 K 3.9113 8.0097 117.6347 59.8063 31.9623 179.0959 62 K 4.0656 7.5244 116.0353 58.4048 32.2604 177.8595 63 L 4.4153 7.8101 117.5518 54.2446 42.8900 175.9191 64 V 4.7861 7.6112 118.2316 60.9874 33.6468 174.6714 65 K 4.4584 8.9668 127.2571 58.3785 33.2069 176.0548 66 N 4.8915 7.6009 114.9375 52.2084 40.4524 172.8904 67 I 5.2225 8.1666 111.4726 59.3032 41.2991 174.4790 68 E 4.5819 9.2539 121.9342 54.7502 33.3784 174.5624 69 I 4.6712 8.1668 124.9104 59.6645 39.1436 175.0264 70 F 4.9745 9.3569 125.0587 56.0055 42.3055 175.7419 71 D 4.7433 9.1768 120.3166 56.2221 41.7947 176.8925 72 E 4.8596 8.2205 115.9173 54.4647 34.3627 174.8751 73 V 4.4066 7.8137 120.3744 60.1824 34.3389 174.5164 74 H 4.9634 8.6773 119.1340 54.4101 32.7420 174.1169 75 N 4.6029 9.0297 117.9795 54.0433 39.1709 175.2611 76 S 4.8293 7.6134 111.6138 55.3849 65.7977 173.8849 77 K 2.4800 8.1009 120.4105 55.9907 31.9888 175.5676 78 P 4.2633 0.0000 0.0000 62.5358 31.8629 175.9010 79 N 4.7303 8.2487 115.8672 52.6449 38.0624 174.2583 80 C 4.5535 7.8476 113.8077 55.7406 42.8291 172.5530 81 D 4.6763 8.6149 120.1293 56.1392 42.7078 177.8551 82 K 4.5458 7.6415 120.0010 53.9680 30.0357 174.3968 83 C 4.9474 7.6113 113.7454 54.6320 46.1483 174.4301 84 L 4.7035 8.6966 122.7460 53.9328 43.3053 175.0150 85 I 5.0565 8.5184 126.9353 59.5755 39.5883 174.9627 86 V 4.4409 8.8195 127.1078 60.9712 34.2284 173.5517 87 E 4.8632 8.7633 128.6255 54.5900 31.0452 175.1821 88 I 4.4735 8.5376 127.5514 60.6898 42.0948 174.8855 89 G 3.7788 8.6737 113.5890 47.0323 0.0000 174.5596 90 G 3.9532 8.5506 109.8406 45.1755 0.0000 172.4141 91 V 4.1621 7.2040 119.5911 60.9858 33.9807 173.9249 92 Y 4.8676 8.7270 125.4443 56.5152 39.8705 174.5343 93 F 4.7198 9.2645 124.1581 55.7882 41.3033 175.0892 94 V 4.9964 8.8490 123.1442 61.0896 34.5686 173.9763 95 R 5.1295 9.1124 128.2099 54.6011 32.0290 175.2157 96 R 4.4570 9.0598 126.2059 55.9999 29.8562 176.5524 97 V 3.9723 8.1176 122.9300 62.0889 32.6126 175.5236 98 N 4.4771 8.7487 125.8945 54.8449 38.9501 175.4667 99 G 3.9333 8.8599 110.0867 45.0884 0.0000 173.6449 100 V 3.7626 6.8814 119.9281 61.6812 32.1107 174.0814 101 P 4.4333 0.0000 0.0000 63.0978 31.2810 176.0155 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 8.16 4.48 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 -0.19 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 K 8.68 4.28 0.00 1.73 1.66 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 K 9.57 4.66 0.00 1.66 1.75 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 H 9.22 4.93 0.00 3.44 3.78 0.00 5.58 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.84 5.03 1.96 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 1.24 0.83 0.98 0.00 0.00 6 I 8.87 4.84 1.95 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.55 0.85 0.00 0.00 7 I 8.99 4.70 1.88 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 1.10 0.68 0.92 0.00 0.00 8 K 9.04 4.79 0.00 1.86 1.88 0.00 1.51 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.42 7.81 9 T 8.70 5.15 4.33 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 0.00 0.00 0.00 1.24 0.00 0.00 10 I 8.18 3.91 1.85 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 1.20 0.57 0.88 0.00 0.00 11 P 0.00 4.25 0.00 2.19 2.01 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 12 K 8.31 4.14 0.00 2.08 2.05 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.54 7.81 13 K 7.49 4.56 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 14 E 8.16 3.98 0.00 2.08 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 2.61 2.46 0.00 15 E 8.18 3.95 0.00 2.06 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 2.42 2.41 0.00 16 I 7.76 3.77 1.93 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 1.95 1.27 1.04 0.00 0.00 17 I 8.03 3.99 2.02 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 1.51 0.61 1.07 0.00 0.00 18 S 8.35 4.11 0.00 4.05 4.06 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 19 R 8.08 4.04 0.00 1.99 2.11 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 20 D 8.49 4.52 0.00 3.14 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 21 L 8.51 3.80 0.00 2.04 1.64 0.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.24 4.37 0.00 3.27 3.18 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 23 D 7.94 4.28 0.00 2.84 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 24 C 7.97 4.53 0.00 3.32 3.33 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 0.00 0.00 0.00 0.00 25 I 8.29 3.96 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.95 0.00 0.00 26 Y 8.08 4.06 0.00 3.34 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 27 Y 8.20 4.08 0.00 2.82 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 28 Y 7.79 4.50 0.00 3.12 3.04 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 29 D 7.55 4.30 0.00 2.62 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 30 N 8.23 3.37 0.00 2.53 2.53 0.00 0.00 7.15 7.57 0.00 0.00 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 S 7.87 4.58 0.00 4.04 3.87 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 32 V 7.37 4.03 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 0.79 0.00 0.00 0.94 0.00 0.00 33 I 8.20 4.72 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.89 1.03 0.00 0.00 34 C 8.82 5.59 0.00 2.82 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 35 K 9.24 5.05 0.00 1.88 1.95 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.53 7.81 36 P 0.00 4.73 0.00 2.13 2.14 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 37 I 8.38 4.41 1.97 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 1.26 0.98 0.95 0.00 0.00 38 G 7.42 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 39 P 0.00 4.58 0.00 2.05 2.02 0.00 3.82 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 2.02 2.11 0.00 40 S 9.77 3.90 0.00 3.99 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 41 K 8.17 5.17 0.00 1.62 1.61 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.47 7.81 42 V 8.81 4.86 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 0.98 0.00 0.00 1.02 0.00 0.00 43 Y 9.02 5.21 0.00 3.16 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 44 V 8.47 4.47 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 0.76 0.00 0.00 0.84 0.00 0.00 45 S 8.07 5.23 0.00 3.79 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 46 T 7.81 4.29 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 1.15 0.00 0.00 47 S 8.28 4.80 0.00 3.88 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 48 L 8.43 3.94 0.00 1.72 1.62 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.04 3.83 0.00 2.01 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 2.44 2.34 0.00 50 N 7.93 4.02 0.00 2.85 2.82 0.00 0.00 6.74 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 51 L 7.72 3.94 0.00 1.72 1.78 0.80 0.71 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 52 E 8.37 3.96 0.00 2.22 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 0.00 2.23 2.53 0.00 53 K 7.70 3.87 0.00 1.49 1.69 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.38 7.81 54 C 7.79 4.58 0.00 3.01 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 55 L 8.06 3.89 0.00 1.55 1.73 0.87 0.72 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 56 Q 7.79 4.24 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 57 L 7.64 4.28 0.00 2.10 1.80 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.19 4.04 0.00 3.29 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.01 4.05 0.00 2.78 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 60 F 8.00 4.40 0.00 3.26 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 61 K 8.01 3.91 0.00 1.86 1.87 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.82 7.81 62 K 7.52 4.07 0.00 1.58 1.76 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.44 7.81 63 L 7.81 4.42 0.00 1.61 1.60 0.21 0.35 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 64 V 7.61 4.79 2.21 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 0.85 0.00 0.00 1.03 0.00 0.00 65 K 8.97 4.46 0.00 1.65 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 66 N 7.60 4.89 0.00 2.70 2.88 0.00 0.00 5.71 7.57 0.00 0.00 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 I 8.17 5.22 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 1.32 0.69 0.89 0.00 0.00 68 E 9.25 4.58 0.00 1.87 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 0.00 2.17 2.26 0.00 69 I 8.17 4.67 1.77 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 1.32 0.50 0.91 0.00 0.00 70 F 9.36 4.97 0.00 3.41 3.27 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 71 D 9.18 4.74 0.00 2.75 2.79 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 72 E 8.22 4.86 0.00 1.77 1.58 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 2.31 2.35 0.00 73 V 7.81 4.41 1.49 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 0.42 0.00 0.00 -0.16 0.00 0.00 74 H 8.68 4.96 0.00 3.06 3.14 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.03 4.60 0.00 2.70 2.86 0.00 0.00 6.78 7.57 0.00 0.00 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 S 7.61 4.83 0.00 3.83 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 77 K 8.10 2.48 0.00 1.47 1.48 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.87 1.11 7.81 78 P 0.00 4.26 0.00 1.98 1.89 0.00 3.27 0.00 0.00 3.12 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 79 N 8.25 4.73 0.00 2.76 2.83 0.00 0.00 6.09 7.68 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 80 C 7.85 4.55 0.00 3.11 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 81 D 8.61 4.68 0.00 2.66 2.73 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 82 K 7.64 4.55 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.44 7.81 83 C 7.61 4.95 0.00 3.10 3.04 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 84 L 8.70 4.70 0.00 1.86 1.70 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.52 5.06 1.97 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 1.30 0.84 1.10 0.00 0.00 86 V 8.82 4.44 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 0.87 0.00 0.00 1.13 0.00 0.00 87 E 8.76 4.86 0.00 1.79 1.67 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 1.75 1.47 0.00 88 I 8.54 4.47 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.14 0.84 0.00 0.00 89 G 8.67 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 90 G 8.55 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 91 V 7.20 4.16 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 0.54 0.00 0.00 0.86 0.00 0.00 92 Y 8.73 4.87 0.00 2.89 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 93 F 9.26 4.72 0.00 2.04 1.62 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 94 V 8.85 5.00 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 1.04 0.00 0.00 1.02 0.00 0.00 95 R 9.11 5.13 0.00 1.96 1.85 0.00 3.07 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 96 R 9.06 4.46 0.00 1.78 1.87 0.00 3.40 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 97 V 8.12 3.97 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 0.95 0.00 0.00 0.95 0.00 0.00 98 N 8.75 4.48 0.00 2.75 2.74 0.00 0.00 7.33 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 99 G 8.86 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 0.00 100 V 6.88 3.76 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 0.82 0.00 0.00 0.98 0.00 0.00 101 P 0.00 4.43 0.00 2.22 2.02 0.00 3.85 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 1.99 1.96 0.00