NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5438 8.3044 120.3327 55.4540 34.3047 176.4516 2 D 3.9715 7.6732 120.1013 52.3157 39.9249 174.9691 3 A 4.3398 7.4259 129.0003 50.0134 18.8903 176.1734 4 V 4.2480 6.9778 119.3923 60.0212 34.7960 175.4071 5 A 4.1395 8.6504 129.8370 55.3273 19.1702 178.4588 6 V 3.9083 7.5299 109.5821 61.8744 30.4195 177.1017 7 Y 4.9721 7.6670 123.3021 56.1977 38.8480 175.8753 8 H 4.1007 8.3774 122.2703 56.1579 29.3498 176.6722 9 G 3.1153 6.7266 105.3355 44.3292 0.0000 175.5611 10 K 4.4095 8.2394 126.5190 55.0122 30.9230 175.4020 11 I 4.6374 7.7223 118.0010 58.1783 40.6953 175.9688 12 S 4.5570 8.4023 117.3179 57.4977 63.7030 175.0228 13 R 3.9159 8.6323 121.3285 59.6225 29.4350 178.5236 14 E 3.9289 8.0719 118.7847 59.3741 29.6954 178.5663 15 T 3.9128 7.8510 115.9759 66.7460 68.4935 176.8994 16 G 3.5824 8.0195 106.9630 47.7177 0.0000 175.4804 17 E 4.0301 7.9593 120.4585 59.2761 29.5243 179.5256 18 K 4.0634 8.3986 118.8117 58.9924 32.0942 179.4868 19 L 3.9190 8.0748 119.6268 57.8724 41.7230 179.4342 20 L 4.4094 7.6058 119.7394 57.2893 41.3488 179.4966 21 L 3.9555 7.6122 117.2132 57.9234 41.6560 179.2025 22 A 4.1071 7.7908 119.3426 55.2703 18.6958 179.4054 23 T 3.9600 7.7205 113.9333 66.3852 68.4186 176.8213 24 G 3.9098 7.8438 105.8102 46.4548 0.0000 173.3163 25 L 4.4293 7.5008 118.7165 52.0633 44.5809 176.4223 26 D 4.7373 8.5687 123.7321 55.7258 41.5984 177.0947 27 G 4.2419 9.2293 109.8651 45.7754 0.0000 174.1224 28 S 5.4743 7.8235 116.2000 59.1943 64.2154 173.0752 29 Y 5.9900 8.1962 118.7865 57.0748 41.7012 172.8956 30 L 4.8243 8.4113 119.1096 55.3383 44.1876 173.3115 31 L 5.4379 8.7646 118.0059 53.2206 45.2690 176.1810 32 R 4.9392 8.7180 121.0527 54.9638 34.3224 173.8617 33 D 4.9443 8.4688 124.9047 53.0390 41.2618 176.1447 34 S 3.9538 8.5897 119.6573 59.0798 62.4110 174.2391 35 E 4.1152 9.1803 127.3837 59.5978 29.6246 179.6506 36 S 4.0961 8.1064 111.8707 60.4546 63.2350 174.3398 37 V 4.2459 7.4494 120.9560 59.4049 30.9326 171.2300 38 P 4.4328 0.0000 0.0000 63.2679 31.8312 176.8183 39 G 3.9227 8.9189 111.1280 44.7301 0.0000 173.2564 40 V 4.2990 7.3533 119.6283 61.3646 33.9872 174.2364 41 Y 5.4023 8.6959 123.9436 56.7588 40.9201 174.3579 42 C 5.8632 9.0645 119.1019 57.0557 31.8578 172.9181 43 L 4.9086 8.6775 126.3379 54.1504 42.8482 175.0732 44 C 5.3825 8.7077 124.8501 58.6601 30.0872 173.2284 45 V 5.1086 8.2378 120.7627 61.2427 35.2656 173.4889 46 L 5.5917 8.7142 129.1592 53.4829 44.1764 174.7914 47 Y 4.9939 9.0436 124.5425 57.6939 41.9441 173.6454 48 H 4.1085 9.2783 125.6018 56.9671 26.8109 175.2485 49 G 3.7041 8.3322 102.8354 46.8117 0.0000 173.3561 50 Y 5.0437 7.6479 115.3800 55.8961 42.3304 175.2224 51 I 5.3154 8.0828 120.1792 58.8080 39.6593 174.2255 52 Y 4.2075 8.7137 125.1847 57.5338 39.2183 174.5773 53 T 5.0639 8.1938 120.4630 61.0682 71.0811 173.3020 54 Y 5.0411 8.0679 122.3248 56.1772 42.1177 175.0741 55 R 4.4269 8.5097 121.0223 55.8224 31.5215 175.7725 56 V 5.1109 9.3579 125.7420 60.2911 33.7988 174.5527 57 S 5.2218 8.6905 121.4066 56.8181 67.1767 172.5571 58 Q 4.1002 8.2174 122.0400 54.3757 29.6224 175.8169 59 T 4.2017 8.1941 116.5819 60.9078 69.8629 174.6128 60 E 4.1230 8.5412 118.2558 58.2095 29.7723 177.2582 61 T 4.2184 7.4562 108.4169 61.0697 69.1137 174.7100 62 G 3.7669 7.7402 109.2091 47.2955 0.0000 173.8327 63 S 5.0131 7.7109 113.5294 56.0779 67.3332 173.2506 64 W 5.2604 9.1012 122.6149 55.4537 30.7661 175.4933 65 S 5.4988 9.1580 120.2828 55.5824 66.3342 172.7978 66 A 4.9736 8.7254 124.2596 50.2645 21.0688 175.6667 67 E 4.5064 9.2344 123.9532 55.1632 31.1124 174.4131 68 T 5.2218 8.1020 121.0859 60.2379 71.0050 173.9688 69 A 4.2077 8.4120 123.4686 51.6750 18.9003 175.7540 70 P 4.2836 0.0000 0.0000 63.9974 31.8680 177.8494 71 G 3.9119 8.8735 106.7510 45.5710 0.0000 173.5735 72 V 4.2610 7.0629 118.6877 60.6874 33.5598 174.7675 73 H 4.2157 8.7593 127.2098 55.9519 30.3887 174.6369 74 K 4.1634 7.8831 125.4599 55.1506 32.0136 176.7025 75 R 3.9911 8.2951 125.0152 56.3231 31.5888 174.4724 76 Y 4.7711 8.2908 122.4561 56.5590 39.5533 175.1124 77 F 4.8821 9.1039 123.1708 55.8643 41.6142 177.1475 78 R 4.1856 8.9452 121.1130 58.1121 30.5866 176.8702 79 K 4.8684 7.8213 115.5531 53.7405 35.9372 176.8459 80 I 3.0417 7.7343 121.3447 63.7677 37.5656 178.3134 81 K 3.7815 7.6361 120.0236 59.2894 32.1506 178.3796 82 N 4.3298 7.7566 116.6079 55.5588 38.2861 177.2012 83 L 2.4400 7.0778 121.7195 57.7816 41.9312 179.0540 84 I 3.2736 7.1198 117.9396 64.1680 37.1509 178.1407 85 S 5.0043 7.9428 116.2128 60.9259 62.6000 176.4040 86 A 4.1424 7.5262 123.1081 54.3491 18.3855 178.5646 87 F 4.4151 7.9043 114.6474 57.9123 38.9410 176.3121 88 Q 4.7751 7.6742 118.5378 55.3064 28.6458 175.1809 89 K 4.8488 7.4597 115.8404 54.2498 35.4582 173.7951 90 P 4.2318 0.0000 0.0000 63.1833 32.0429 175.2642 91 D 4.2386 8.3735 117.2981 55.1053 38.3100 173.0914 92 Q 4.1828 7.3647 113.0514 54.8698 32.1992 174.9926 93 G 3.6266 8.2808 104.7603 45.9787 0.0000 172.8666 94 I 4.4635 6.8782 109.6574 58.6280 41.1363 175.6364 95 V 3.3924 8.0779 120.1554 64.3874 31.3109 176.6551 96 I 3.9669 6.7482 116.0230 58.8738 40.5508 171.8123 97 P 4.4135 0.0000 0.0000 62.0138 31.8490 176.2847 98 L 4.5351 8.1786 122.6103 56.1714 42.0944 177.1842 99 Q 4.7455 8.8890 116.4553 56.6241 35.1257 174.6944 100 Y 4.6228 7.8229 115.2407 54.3793 39.5017 170.9268 101 P 2.9959 0.0000 0.0000 62.9497 31.8246 177.6816 102 V 3.9568 7.6419 126.6529 60.7738 29.5723 175.1169 103 E 3.8940 8.1992 123.0677 56.1293 30.1830 177.7095 104 K 4.0890 8.2764 123.5960 55.7303 31.3406 176.2801 105 K 3.8414 8.3315 128.4550 56.7196 29.2635 176.6176 106 S 4.5082 7.5715 105.8709 58.9034 65.0755 173.2839 107 S 4.2633 8.0580 118.8899 58.7887 62.1382 173.6087 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 4.54 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 2 D 7.67 3.97 0.00 2.55 2.32 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 0.00 0.00 0.00 0.00 3 A 7.43 4.34 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 4 V 6.98 4.25 1.85 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 0.90 0.00 0.00 0.51 0.00 0.00 5 A 8.65 4.14 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 6 V 7.53 3.91 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 0.52 0.00 0.00 1.08 0.00 0.00 7 Y 7.67 4.97 0.00 2.92 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 8 H 8.38 4.10 0.00 3.21 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.73 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 0.00 0.00 0.00 10 K 8.24 4.41 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 11 I 7.72 4.64 1.83 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 1.56 0.83 0.85 0.00 0.00 12 S 8.40 4.56 0.00 4.01 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 0.00 13 R 8.63 3.92 0.00 1.89 1.98 0.00 3.25 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 14 E 8.07 3.93 0.00 2.06 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 2.36 2.39 0.00 15 T 7.85 3.91 4.29 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 1.14 0.00 0.00 16 G 8.02 3.58 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 0.00 0.00 0.00 17 E 7.96 4.03 0.00 2.24 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 2.33 2.44 0.00 18 K 8.40 4.06 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 L 8.07 3.92 0.00 1.82 1.68 0.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.61 4.41 0.00 1.70 1.77 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.61 3.96 0.00 1.83 1.72 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.79 4.11 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 23 T 7.72 3.96 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 1.19 0.00 0.00 24 G 7.84 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 25 L 7.50 4.43 0.00 1.22 0.40 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.57 4.74 0.00 2.80 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 27 G 9.23 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 0.00 0.00 0.00 0.00 28 S 7.82 5.47 0.00 3.86 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 29 Y 8.20 5.99 0.00 3.20 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 30 L 8.41 4.82 0.00 1.86 1.85 1.00 0.21 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 31 L 8.76 5.44 0.00 2.08 1.86 0.98 0.71 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 32 R 8.72 4.94 0.00 1.83 1.76 0.00 3.10 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 33 D 8.47 4.94 0.00 2.61 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 34 S 8.59 3.95 0.00 3.90 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 35 E 9.18 4.12 0.00 2.07 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 2.40 2.30 0.00 36 S 8.11 4.10 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 4.25 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 1.07 0.00 0.00 0.93 0.00 0.00 38 P 0.00 4.43 0.00 2.06 1.96 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 2.02 2.19 0.00 39 G 8.92 3.92 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 0.00 0.00 0.00 40 V 7.35 4.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.91 0.00 0.00 41 Y 8.70 5.40 0.00 3.19 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 42 C 9.06 5.86 0.00 2.90 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 43 L 8.68 4.91 0.00 1.84 1.82 1.00 1.02 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 44 C 8.71 5.38 0.00 3.03 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 45 V 8.24 5.11 2.32 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 1.17 0.00 0.00 1.28 0.00 0.00 46 L 8.71 5.59 0.00 1.93 1.76 1.06 0.59 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 47 Y 9.04 4.99 0.00 3.15 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 48 H 9.28 4.11 0.00 3.16 3.15 0.00 5.83 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 49 G 8.33 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 50 Y 7.65 5.04 0.00 3.33 2.50 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 0.00 0.00 0.00 0.00 51 I 8.08 5.32 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 0.92 0.00 0.00 52 Y 8.71 4.21 0.00 2.89 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 53 T 8.19 5.06 4.16 0.00 0.00 0.00 0.00 0.00 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 54 Y 8.07 5.04 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 55 R 8.51 4.43 0.00 1.91 1.96 0.00 3.11 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 56 V 9.36 5.11 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 1.33 0.00 0.00 1.05 0.00 0.00 57 S 8.69 5.22 0.00 3.88 3.92 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 58 Q 8.22 4.10 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.98 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 59 T 8.19 4.20 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 1.30 0.00 0.00 60 E 8.54 4.12 0.00 2.06 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 2.24 2.26 0.00 61 T 7.46 4.22 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 1.14 0.00 0.00 62 G 7.74 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 0.00 0.00 0.00 63 S 7.71 5.01 0.00 3.89 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 64 W 9.10 5.26 0.00 3.36 3.17 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 65 S 9.16 5.50 0.00 3.60 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.73 4.97 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 67 E 9.23 4.51 0.00 2.09 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 2.27 2.26 0.00 68 T 8.10 5.22 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 1.07 0.00 0.00 69 A 8.41 4.21 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 70 P 0.00 4.28 0.00 2.20 2.02 0.00 3.67 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 2.13 2.12 0.00 71 G 8.87 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 72 V 7.06 4.26 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 0.82 0.00 0.00 0.88 0.00 0.00 73 H 8.76 4.22 0.00 3.11 3.18 0.00 5.97 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 74 K 7.88 4.16 0.00 1.38 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.21 7.81 75 R 8.30 3.99 0.00 1.87 1.65 0.00 3.12 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.27 0.00 76 Y 8.29 4.77 0.00 2.80 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 77 F 9.10 4.88 0.00 3.27 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 78 R 8.95 4.19 0.00 1.85 2.06 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 79 K 7.82 4.87 0.00 1.80 1.61 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.44 7.81 80 I 7.73 3.04 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.61 0.39 0.00 0.00 81 K 7.64 3.78 0.00 1.75 1.67 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.49 7.81 82 N 7.76 4.33 0.00 3.02 2.99 0.00 0.00 6.67 8.15 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 83 L 7.08 2.44 0.00 1.22 1.19 0.92 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.12 3.27 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 0.55 0.00 0.00 85 S 7.94 5.00 0.00 3.96 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 86 A 7.53 4.14 1.56 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 0.00 0.00 87 F 7.90 4.42 0.00 2.90 2.91 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 88 Q 7.67 4.78 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 89 K 7.46 4.85 0.00 1.77 1.71 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.50 7.81 90 P 0.00 4.23 0.00 2.15 2.07 0.00 3.89 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 91 D 8.37 4.24 0.00 2.75 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 92 Q 7.36 4.18 0.00 1.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 93 G 8.28 3.63 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 0.00 0.00 0.00 94 I 6.88 4.46 1.62 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 0.22 0.00 0.00 95 V 8.08 3.39 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 -0.05 0.00 0.00 0.13 0.00 0.00 96 I 6.75 3.97 1.20 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 1.42 0.46 0.84 0.00 0.00 97 P 0.00 4.41 0.00 2.06 1.99 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 98 L 8.18 4.54 0.00 1.60 1.72 0.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.89 4.75 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 100 Y 7.82 4.62 0.00 3.03 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 0.00 101 P 0.00 3.00 0.00 1.88 1.92 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 102 V 7.64 3.96 2.16 0.00 0.00 0.00 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 0.98 0.00 0.00 103 E 8.20 3.89 0.00 1.96 1.85 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 2.28 2.25 0.00 104 K 8.28 4.09 0.00 1.51 1.68 0.00 2.02 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.33 7.81 105 K 8.33 3.84 0.00 1.92 1.84 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 106 S 7.57 4.51 0.00 3.75 3.75 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 0.00 0.00 0.00 107 S 8.06 4.26 0.00 3.86 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