NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4979 8.2893 120.3534 55.7912 33.4294 174.0349 2 E 4.8558 8.1540 118.6612 54.7909 32.7487 172.6643 3 A 4.6044 9.5802 124.0954 50.0557 22.3046 177.4006 4 K 4.1312 8.8054 121.7631 57.8573 33.1436 176.2247 5 A 4.1913 8.1570 121.7235 50.0607 20.9691 174.0243 6 I 3.0046 9.0499 133.4200 59.5712 35.3798 173.4552 7 A 4.4762 8.4005 129.3089 50.1292 19.3855 175.7879 8 R 4.4100 8.1400 119.9249 57.1422 31.5598 176.0308 9 Y 3.6700 8.7492 113.6289 58.1763 35.3355 171.8228 10 V 3.7201 8.2731 120.6773 61.5218 32.8602 175.4134 11 R 4.3286 8.5827 129.9098 56.1547 28.2146 174.3747 12 I 4.0831 7.5332 119.2114 59.7271 41.6620 173.3025 13 S 4.2107 8.2778 123.7751 57.7887 63.1800 172.7173 14 P 4.2918 0.0000 0.0000 65.3699 31.0471 178.9052 15 R 3.7634 8.1261 116.1177 59.5490 29.6955 178.8540 16 K 4.0491 7.5030 116.0574 59.8455 32.4429 179.5608 17 V 3.8604 7.7626 111.9365 64.1636 31.6177 178.4061 18 R 3.9538 8.8488 118.8334 59.6944 29.6979 178.7755 19 L 4.0089 7.4297 116.0942 57.4891 41.8199 179.5600 20 V 3.7989 8.3464 118.4585 65.6921 31.7230 177.8282 21 V 3.5388 7.8453 117.5456 66.6249 30.7951 177.2906 22 D 4.5832 8.2384 118.1162 57.5286 40.4687 178.3543 23 L 4.0734 8.2878 118.8642 56.3014 42.2245 176.8773 24 I 4.5236 7.9980 108.9658 60.2116 39.0238 175.5580 25 R 3.6023 7.5034 122.0978 57.9987 30.5831 176.3687 26 G 4.3536 8.6393 114.0872 46.0868 0.0000 173.2641 27 K 4.6855 7.2527 116.7687 53.2819 37.1146 176.5195 28 S 4.4515 8.8603 116.6171 58.7669 63.9416 174.9948 29 L 3.8772 8.5558 128.2124 58.4297 41.8636 178.7657 30 E 3.8936 8.2809 118.2883 59.7822 29.5188 177.5753 31 E 3.8078 7.9327 117.9099 59.5625 29.5321 178.4379 32 A 3.9838 8.1229 119.8710 55.7055 18.5767 179.7201 33 R 3.9480 8.0350 116.0632 59.5562 30.2105 179.1162 34 N 4.3652 8.2004 115.9836 56.8451 38.4341 176.8746 35 I 3.6791 7.9659 119.7888 64.8255 37.4411 177.7108 36 L 4.1159 8.7350 119.3415 58.3942 41.5172 179.7757 37 R 3.7302 7.3606 116.8271 59.1350 29.9905 176.7695 38 Y 4.6453 7.4441 112.7483 57.8825 38.3974 175.3813 39 T 4.3749 7.8862 117.4316 62.8492 69.8376 175.7759 40 N 4.7354 8.4597 126.7797 51.3066 37.7564 173.9868 41 K 4.6319 7.4265 118.9368 54.6368 36.5480 177.3800 42 R 3.9219 8.9668 123.0831 59.5613 30.4533 178.8345 43 G 3.9857 8.3048 104.0552 47.3999 0.0000 174.9550 44 A 4.0105 8.0125 123.2190 55.4953 18.3212 178.6859 45 Y 4.2929 7.3374 117.8407 61.1923 38.3956 178.7692 46 F 3.9557 7.4583 117.5349 60.4649 39.1268 177.5934 47 V 3.5968 7.9933 117.5754 65.9713 31.2802 177.3969 48 A 3.9539 8.7137 120.9632 55.4614 18.1466 179.4017 49 K 3.8882 7.9733 116.6306 59.9898 32.2354 179.7116 50 V 3.6328 7.5546 118.6609 64.6707 31.3351 177.9977 51 L 4.0674 8.4072 121.4112 57.6080 41.7313 178.7590 52 E 3.9111 8.3506 119.4260 59.2964 29.6707 178.3784 53 S 4.1093 8.1874 112.9476 61.5339 62.1749 175.6743 54 A 3.9170 8.6554 123.4874 54.9756 18.0859 178.9564 55 A 4.0392 7.8762 118.1147 55.7268 18.4150 179.1328 56 A 3.8834 8.3470 118.6269 56.0671 18.3526 179.3703 57 N 4.2205 8.6745 113.5500 56.2833 38.6003 177.3110 58 A 3.9352 8.6184 123.0845 55.2633 18.5453 179.7404 59 V 3.9963 8.2735 116.4302 63.3690 31.7604 177.6492 60 N 4.5581 8.3394 116.7185 54.4080 39.0177 175.3600 61 N 4.8944 8.1856 114.5079 53.5636 39.5277 175.2098 62 H 4.6080 8.2852 112.2533 56.3044 32.1825 174.1371 63 D 4.9905 7.6926 116.6318 54.8578 37.4750 174.0456 64 M 4.1640 8.0119 120.6565 55.3545 33.0447 173.5556 65 L 3.4471 7.6352 128.1620 54.2119 40.3527 173.9348 66 E 3.7552 8.4137 125.7611 59.7744 29.7430 178.7499 67 D 4.4303 8.0171 118.1911 56.4465 41.4397 177.6565 68 R 4.4588 7.8939 117.3747 55.7412 31.3700 176.0677 69 L 5.4802 8.4374 119.6401 54.8920 43.0845 175.5828 70 Y 5.1344 8.3359 116.2131 56.1443 41.1405 173.7869 71 V 3.5946 8.2329 122.0335 63.0361 30.6678 176.0499 72 K 2.9988 8.1920 127.2596 58.5159 31.9061 175.6914 73 A 4.6251 7.9014 118.3853 51.2805 23.2433 173.7628 74 A 4.4070 7.2892 119.6373 51.0319 22.6585 174.6118 75 Y 4.6791 7.1799 117.2850 57.2638 41.7405 172.5282 76 V 5.0952 8.4897 118.1265 60.4014 34.3458 174.5552 77 D 4.9981 8.9127 123.6933 52.3231 44.0632 175.0402 78 E 4.3970 8.6513 121.6034 56.0350 30.3806 175.9640 79 G 4.0627 8.7746 113.8723 43.0527 0.0000 170.9423 80 P 4.1231 0.0000 0.0000 62.7433 30.8114 176.1280 81 A 4.2526 8.2748 124.8703 51.9318 19.6830 176.2037 82 L 4.4396 8.7865 120.2225 53.2883 43.4430 176.1611 83 K 4.8347 8.6200 124.4297 55.5809 32.9345 176.4867 84 R 4.7363 8.9402 124.4779 54.2614 33.6462 175.5893 85 V 4.3242 8.2044 120.6958 62.3184 33.5388 175.7020 86 L 4.5074 8.6329 128.0375 53.1047 44.7355 172.9523 87 P 4.7441 0.0000 0.0000 63.0141 32.0288 175.9136 88 R 4.7703 8.5711 121.2198 53.4855 33.5643 174.9871 89 A 4.1277 8.5622 122.4259 53.8115 18.6652 177.5637 90 R 3.9240 9.1546 116.0329 57.0195 27.9090 176.6586 91 G 3.9998 7.3711 103.0328 46.7607 0.0000 176.1512 92 R 3.7008 8.0405 119.5366 58.6948 30.4455 173.9981 93 A 3.7486 7.9454 128.6966 52.2043 15.5209 175.9167 94 D 5.1148 8.5446 120.8220 53.3781 44.1621 175.4634 95 I 4.8665 8.0881 113.9974 59.4039 39.2717 175.2487 96 I 4.1783 8.9026 127.4778 60.1854 39.9862 174.7180 97 K 4.7692 8.3413 125.0155 54.4678 34.1005 176.6216 98 K 4.2888 9.2467 126.5688 55.8698 31.5440 177.2480 99 R 4.3633 8.3007 123.8411 56.2368 31.3074 175.1961 100 T 4.9721 8.2513 114.7031 60.5296 71.1828 172.7652 101 S 4.9357 8.9322 121.6708 57.0807 67.3862 173.1790 102 H 5.1375 8.9243 118.5695 54.3675 31.4851 173.0538 103 I 4.5166 8.5769 126.0889 60.4941 38.0919 175.0139 104 T 4.8946 8.5425 124.6030 61.8958 70.7310 174.7672 105 V 4.0333 7.9832 124.8859 61.3667 34.6001 173.3234 106 I 4.5947 8.0508 122.3674 59.6273 39.4282 174.8715 107 L 4.8907 8.9696 128.1872 53.7828 44.9285 174.8987 108 G 4.7536 8.7349 109.3158 45.3510 0.0000 171.1176 109 E 5.0379 8.8041 118.7667 54.9052 31.6280 176.8959 110 K 4.1243 8.2125 125.5266 55.7121 34.3882 175.6772 111 H 4.1635 8.8505 114.8629 56.3902 29.0272 175.4186 112 G 4.0480 8.1901 109.6996 44.5317 0.0000 174.0637 113 K 4.1816 8.1252 125.7236 54.3664 31.8892 178.6974 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 4.50 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 E 8.15 4.86 0.00 2.15 1.87 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 2.19 2.37 0.00 3 A 9.58 4.60 1.08 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 0.00 0.00 4 K 8.81 4.13 0.00 1.64 1.73 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 5 A 8.16 4.19 1.13 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 0.00 0.00 6 I 9.05 3.00 1.85 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 1.39 0.45 0.89 0.00 0.00 7 A 8.40 4.48 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 0.00 0.00 0.00 0.00 0.00 8 R 8.14 4.41 0.00 1.39 1.57 0.00 3.22 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 9 Y 8.75 3.67 0.00 2.95 2.96 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 0.00 0.00 0.00 0.00 10 V 8.27 3.72 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 -0.13 0.00 0.00 0.85 0.00 0.00 11 R 8.58 4.33 0.00 1.82 1.85 0.00 3.51 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 12 I 7.53 4.08 1.91 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 1.16 0.77 0.73 0.00 0.00 13 S 8.28 4.21 0.00 3.89 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 14 P 0.00 4.29 0.00 2.18 2.08 0.00 3.95 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 15 R 8.13 3.76 0.00 1.85 2.03 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 16 K 7.50 4.05 0.00 1.92 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.66 7.81 17 V 7.76 3.86 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 0.95 0.00 0.00 0.99 0.00 0.00 18 R 8.85 3.95 0.00 1.98 2.03 0.00 3.21 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 L 7.43 4.01 0.00 1.93 1.76 0.94 0.96 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 20 V 8.35 3.80 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 1.02 0.00 0.00 0.97 0.00 0.00 21 V 7.85 3.54 2.23 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 0.89 0.00 0.00 1.02 0.00 0.00 22 D 8.24 4.58 0.00 2.93 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 8.29 4.07 0.00 1.66 1.82 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.00 4.52 1.86 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 1.44 0.80 0.92 0.00 0.00 25 R 7.50 3.60 0.00 1.73 1.90 0.00 3.41 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 1.61 1.54 0.00 26 G 8.64 4.35 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 0.00 27 K 7.25 4.69 0.00 1.78 1.67 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.73 7.81 28 S 8.86 4.45 0.00 4.08 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 29 L 8.56 3.88 0.00 1.84 1.79 0.93 0.56 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 30 E 8.28 3.89 0.00 2.09 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 0.00 2.40 2.40 0.00 31 E 7.93 3.81 0.00 2.15 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 0.00 2.35 2.44 0.00 32 A 8.12 3.98 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 33 R 8.04 3.95 0.00 2.09 2.01 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 34 N 8.20 4.37 0.00 3.06 2.94 0.00 0.00 6.99 6.60 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 35 I 7.97 3.68 2.06 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 1.56 0.62 0.94 0.00 0.00 36 L 8.73 4.12 0.00 1.63 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.36 3.73 0.00 1.95 2.20 0.00 3.01 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.00 38 Y 7.44 4.65 0.00 3.09 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 39 T 7.89 4.37 4.39 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 1.24 0.00 0.00 40 N 8.46 4.74 0.00 2.69 2.77 0.00 0.00 6.92 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 7.43 4.63 0.00 1.80 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 42 R 8.97 3.92 0.00 1.88 2.01 0.00 3.25 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 43 G 8.30 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.01 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 45 Y 7.34 4.29 0.00 2.94 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 46 F 7.46 3.96 0.00 3.20 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 47 V 7.99 3.60 2.23 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 1.00 0.00 0.00 1.04 0.00 0.00 48 A 8.71 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.89 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.41 7.81 50 V 7.55 3.63 2.06 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 0.90 0.00 0.00 0.93 0.00 0.00 51 L 8.41 4.07 0.00 1.71 1.97 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.35 3.91 0.00 2.31 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 2.31 2.36 0.00 53 S 8.19 4.11 0.00 3.93 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 54 A 8.66 3.92 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 55 A 7.88 4.04 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 56 A 8.35 3.88 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 57 N 8.67 4.22 0.00 2.91 2.91 0.00 0.00 7.02 7.91 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 58 A 8.62 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 59 V 8.27 4.00 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 0.80 0.00 0.00 0.98 0.00 0.00 60 N 8.34 4.56 0.00 2.83 2.91 0.00 0.00 6.83 8.81 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 61 N 8.19 4.89 0.00 2.88 2.73 0.00 0.00 6.80 7.70 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 62 H 8.29 4.61 0.00 3.19 3.26 0.00 5.93 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.69 4.99 0.00 2.87 3.01 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 M 8.01 4.16 0.00 2.05 2.23 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 2.85 2.58 0.00 65 L 7.64 3.45 0.00 1.85 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.41 3.76 0.00 2.04 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 2.40 2.40 0.00 67 D 8.02 4.43 0.00 2.70 2.75 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 68 R 7.89 4.46 0.00 1.95 1.94 0.00 3.22 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 69 L 8.44 5.48 0.00 1.66 1.65 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.34 5.13 0.00 3.11 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 71 V 8.23 3.59 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 0.75 0.00 0.00 0.94 0.00 0.00 72 K 8.19 3.00 0.00 1.61 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.42 7.81 73 A 7.90 4.63 1.13 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 0.00 0.00 74 A 7.29 4.41 1.02 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 0.00 0.00 75 Y 7.18 4.68 0.00 3.10 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 8.49 5.10 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 0.82 0.00 0.00 0.96 0.00 0.00 77 D 8.91 5.00 0.00 2.64 2.55 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 0.00 0.00 0.00 0.00 78 E 8.65 4.40 0.00 1.91 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 2.23 2.30 0.00 79 G 8.77 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 0.00 0.00 0.00 80 P 0.00 4.12 0.00 2.03 2.01 0.00 3.48 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 1.58 1.62 0.00 81 A 8.27 4.25 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 0.00 0.00 0.00 0.00 0.00 82 L 8.79 4.44 0.00 1.77 1.58 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.62 4.83 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 84 R 8.94 4.74 0.00 1.67 1.78 0.00 3.27 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 1.52 1.67 0.00 85 V 8.20 4.32 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 0.74 0.00 0.00 0.93 0.00 0.00 86 L 8.63 4.51 0.00 1.77 1.63 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.74 0.00 2.11 2.05 0.00 3.76 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 8.57 4.77 0.00 1.72 1.85 0.00 3.31 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 89 A 8.56 4.13 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 9.15 3.92 0.00 1.95 2.01 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 91 G 7.37 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 0.00 0.00 0.00 92 R 8.04 3.70 0.00 1.90 1.95 0.00 3.40 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 1.64 1.57 0.00 93 A 7.95 3.75 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 94 D 8.54 5.11 0.00 2.65 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 95 I 8.09 4.87 1.94 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 0.61 0.90 0.00 0.00 96 I 8.90 4.18 1.87 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 1.23 1.49 0.91 0.00 0.00 97 K 8.34 4.77 0.00 1.62 1.70 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.41 7.81 98 K 9.25 4.29 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 99 R 8.30 4.36 0.00 1.75 1.94 0.00 3.05 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 100 T 8.25 4.97 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 1.14 0.00 0.00 101 S 8.93 4.94 0.00 3.70 3.68 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 0.00 0.00 0.00 0.00 102 H 8.92 5.14 0.00 3.09 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.58 4.52 1.87 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 1.24 0.74 0.92 0.00 0.00 104 T 8.54 4.89 4.41 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 1.17 0.00 0.00 105 V 7.98 4.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.84 0.00 0.00 106 I 8.05 4.59 1.80 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 1.07 0.42 0.85 0.00 0.00 107 L 8.97 4.89 0.00 1.82 1.53 0.88 0.80 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 0.00 108 G 8.73 4.75 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 0.00 0.00 0.00 109 E 8.80 5.04 0.00 1.84 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 2.25 2.31 0.00 110 K 8.21 4.12 0.00 1.64 1.60 0.00 1.00 0.00 0.00 1.26 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.30 7.81 111 H 8.85 4.16 0.00 3.27 3.26 0.00 5.61 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 8.19 4.05 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 0.00 0.00 0.00 113 K 8.13 4.18 0.00 1.78 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 0.99 7.81