NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3751 8.3344 115.4115 58.0213 64.2222 174.2001 2 M 4.1153 8.2987 121.3588 55.5500 29.8428 173.7568 3 Q 4.1985 8.4255 123.0626 56.0677 30.7394 174.8899 4 D 4.7304 7.6765 116.8712 50.9604 42.0678 173.9157 5 P 4.1995 0.0000 0.0000 65.6486 31.4818 178.0528 6 I 3.5819 7.8783 118.9138 64.2117 37.0075 177.6021 7 A 3.9207 8.5017 121.3621 55.4807 18.1270 178.9497 8 D 4.4331 7.4809 117.1783 57.0549 41.3979 178.1593 9 M 3.9469 7.6939 118.3192 58.6849 32.2465 178.0860 10 L 3.9296 7.9180 119.0986 57.9398 41.6930 179.4535 11 T 3.7799 8.4942 109.9397 65.1175 68.5941 176.1800 12 R 3.9089 8.3576 122.2319 59.1517 30.1008 178.5740 13 I 3.7011 7.6987 118.9890 64.2325 37.0794 178.3431 14 R 3.9038 7.9878 116.0627 59.8781 29.2078 178.6767 15 N 4.4986 8.5602 117.3628 55.6239 38.3002 177.7937 16 G 3.6026 8.2041 107.4881 47.9210 0.0000 175.8017 17 Q 4.1303 8.7684 122.4038 58.0939 28.4696 179.0256 18 A 4.1050 7.9520 120.6474 54.6675 18.5264 178.6295 19 A 4.2706 7.6713 116.0744 51.7665 18.8191 177.2734 20 N 4.3438 7.8763 112.8902 53.7564 37.0227 174.6729 21 K 4.0123 7.8149 117.6171 56.2342 32.1630 176.5679 22 A 3.9743 8.5329 125.8144 55.2229 18.9726 177.5102 23 A 5.2467 7.4001 118.0499 51.2159 22.5094 174.4884 24 V 4.6685 8.6785 112.3644 61.1526 35.0566 173.9250 25 T 5.2920 8.3397 112.3748 59.2881 72.0577 172.3311 26 M 4.3877 7.9877 118.3732 53.9859 34.0064 172.0046 27 P 5.2249 0.0000 0.0000 62.5450 31.8037 176.5582 28 S 4.7084 8.6943 119.5950 57.9936 64.8441 173.3493 29 S 4.5872 8.6424 111.5857 56.4954 65.0185 176.5429 30 K 4.2034 8.3322 122.7614 59.5019 31.9362 178.6171 31 L 3.9024 7.8766 119.9294 58.2465 42.2236 178.6923 32 K 3.7784 7.5653 117.0393 60.0699 31.9971 178.8543 33 V 3.3700 8.0070 117.9344 65.3651 31.4552 177.6351 34 A 3.9246 7.8701 120.2222 55.4338 18.3477 179.4933 35 I 3.5477 7.6648 117.6408 64.5676 37.2587 178.2853 36 A 3.7439 7.6528 121.2863 55.1256 18.0466 178.8866 37 N 4.2808 8.1556 115.5722 57.1309 39.1209 176.9405 38 V 3.6617 7.7948 119.2703 66.1910 31.4559 177.8458 39 L 4.2008 7.9709 118.5429 57.8431 41.4763 179.4994 40 K 4.2171 8.1929 119.4743 59.4603 32.0472 178.6540 41 E 4.1907 8.7232 117.8254 58.1679 29.3915 177.9302 42 E 4.4886 7.6818 116.5382 54.8918 30.2015 175.7095 43 G 3.7250 7.8057 106.7690 46.9234 0.0000 174.9122 44 F 4.8245 8.2511 118.7682 57.2111 40.2328 176.3321 45 I 4.7566 7.3289 112.3203 59.0037 40.4327 174.7983 46 E 4.1421 9.1242 122.5218 58.5420 29.9995 176.2654 47 D 4.7212 7.9837 117.6478 56.1413 47.3800 173.9927 48 F 5.0823 8.2634 110.0953 56.9838 40.2453 172.9230 49 K 4.6590 8.8048 120.5863 55.0726 36.4557 175.3732 50 V 5.1606 8.2006 122.1480 58.7466 32.6704 174.8463 51 E 4.2264 8.6457 128.8925 56.3225 31.6135 175.0535 52 G 4.4609 8.6183 108.7253 46.2988 0.0000 171.8894 53 D 4.6933 7.9269 117.2978 56.1031 43.1512 178.1786 54 T 3.8863 7.8631 114.4002 64.6800 67.8588 175.1804 55 K 4.3805 7.7163 124.4597 53.7840 31.7471 173.3255 56 P 4.6294 0.0000 0.0000 62.7683 32.8564 175.0779 57 E 5.1218 9.1006 122.8507 54.5844 33.3702 174.7927 58 L 4.6231 8.3982 122.2449 52.8870 43.1237 174.5427 59 E 4.6448 9.4173 126.4647 56.3437 27.2959 174.9862 60 L 4.7840 8.6213 123.1996 54.2499 43.1558 176.2400 61 T 4.5365 8.3806 117.7753 61.5978 69.7914 174.1256 62 L 4.7657 8.1280 122.2656 53.2823 44.0870 175.7294 63 K 4.8081 8.3922 122.7440 54.9337 35.3407 174.6486 64 Y 4.8365 8.5875 123.1746 55.8985 41.5080 175.0366 65 F 4.6777 8.7224 130.2269 59.6178 39.5297 177.6052 66 Q 4.1279 8.4093 126.1059 55.5735 29.6573 178.4530 67 G 3.9740 8.4867 112.3691 46.5403 0.0000 172.5468 68 K 4.6643 8.6562 119.8764 54.1279 35.6943 174.7869 69 A 4.4375 8.3639 124.9082 50.8194 19.4203 177.4025 70 V 3.5376 7.5350 121.9981 66.3992 31.7561 177.3101 71 V 3.7355 7.7399 128.2054 63.1319 30.0487 175.5645 72 E 4.1860 8.5082 125.4224 58.1326 30.4210 177.2461 73 S 4.4183 7.5578 112.0159 57.3688 65.9504 173.8727 74 I 4.5060 8.2951 127.3115 60.1691 40.0446 173.6641 75 Q 4.7293 8.3974 128.1662 53.5068 32.3225 175.5491 76 R 3.8311 8.4870 122.0899 57.7011 30.6589 174.4816 77 V 3.7725 8.4277 119.9531 63.2608 33.1594 177.0094 78 S 4.3072 7.8545 116.3286 57.7167 60.9695 173.3707 79 R 4.1102 7.2832 119.5880 54.5352 30.8428 175.0190 80 P 4.3395 0.0000 0.0000 62.8650 31.9448 176.5097 81 G 4.0214 8.5201 103.3709 45.5789 0.0000 173.6705 82 L 4.7489 6.9336 117.1356 54.8322 44.4526 173.2884 83 R 4.1336 7.8260 120.8942 56.0674 31.4783 176.5948 84 I 4.5598 8.0250 119.6128 60.4331 41.4506 173.9976 85 Y 4.8125 8.7958 124.2614 56.0756 41.4070 175.0716 86 K 4.7906 8.4925 120.7915 54.6450 36.5821 176.0253 87 R 4.6127 8.3282 120.8873 54.5240 31.6582 177.8187 88 K 3.8816 8.6951 118.4742 60.0391 32.2177 177.3347 89 D 4.8035 7.9983 116.2519 52.7780 39.4608 176.1640 90 E 4.4954 8.4502 120.6140 56.2031 31.4612 176.0047 91 L 3.8886 8.1547 117.9189 54.7050 41.8649 175.3998 92 P 4.3493 0.0000 0.0000 62.5879 31.8718 176.3227 93 K 4.2181 7.8935 120.9361 53.6323 32.0395 174.3714 94 V 3.1265 7.9085 123.5250 64.0962 32.4942 175.4978 95 M 3.2754 9.2691 126.9578 57.9410 30.0774 175.8846 96 A 3.9693 9.0164 115.0384 53.1872 17.2484 176.9909 97 G 4.2081 8.3805 108.1932 47.5278 0.0000 176.0676 98 L 4.0086 8.0367 119.2770 56.9521 41.7667 177.4503 99 G 4.3699 7.9169 104.7870 44.6143 0.0000 172.9942 100 I 4.8947 8.7437 113.3210 58.8962 40.9411 174.7600 101 A 5.1407 9.8021 125.1622 48.5426 20.9920 175.0428 102 V 3.8235 8.3985 121.2806 64.3262 32.6325 174.8943 103 V 4.6589 8.6609 127.6919 61.1480 35.5619 174.4757 104 S 4.9095 9.0946 122.4953 57.2692 63.1667 173.5366 105 T 4.8304 8.3978 118.5626 60.1090 70.9235 175.7328 106 S 4.3660 8.7860 115.0831 59.7517 62.5087 174.2864 107 K 4.3361 9.0611 118.0273 55.9819 33.4291 176.4998 108 G 4.1638 6.7549 107.6368 44.4513 0.0000 171.9700 109 V 4.4252 7.7385 120.6376 62.4981 30.6838 174.5153 110 M 4.8765 8.4565 125.8600 53.0277 34.9547 175.1078 111 T 4.6102 8.2514 108.4321 61.0601 70.6125 175.5475 112 D 4.3594 8.4732 122.4542 57.1418 39.2833 178.5808 113 R 3.8136 8.1755 119.6602 59.5816 29.8377 177.2577 114 A 3.8853 7.9645 119.2993 55.5894 18.1826 179.0132 115 A 3.9261 8.1464 116.7013 55.4400 18.4077 179.6432 116 R 3.8436 8.0767 115.8481 59.8894 30.1356 178.2202 117 Q 4.1739 7.9769 116.7828 58.4255 28.8302 177.8530 118 A 4.1421 8.1776 120.7984 52.8232 18.7834 177.0466 119 G 3.7492 8.9408 104.9764 45.5331 0.0000 173.3583 120 L 4.6187 7.7367 116.7503 54.2766 43.8463 175.2462 121 G 4.2172 8.5426 107.2400 45.1212 0.0000 171.6805 122 G 4.2972 7.8432 104.6443 45.0719 0.0000 171.6741 123 E 4.1666 8.7199 121.2755 55.5921 30.2510 176.7696 124 I 4.1699 7.6832 126.8296 62.2658 37.8961 175.6972 125 I 4.5791 8.3095 120.7347 62.8074 42.1169 175.1316 126 C 4.6920 7.5800 113.6638 57.4833 32.4394 172.8173 127 Y 5.2926 7.6711 115.9037 56.5938 36.4227 176.4274 128 V 3.4824 7.9535 119.3890 62.8540 32.7971 176.6086 129 A 4.3278 8.0120 130.4335 52.1794 18.9949 176.4027 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 S 8.33 4.38 0.00 3.99 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 2 M 8.30 4.12 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.43 4.20 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 4 D 7.68 4.73 0.00 2.63 2.49 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 0.00 0.00 0.00 0.00 5 P 0.00 4.20 0.00 2.28 2.27 0.00 3.74 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 2.05 2.04 0.00 6 I 7.88 3.58 1.96 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 1.53 1.02 0.85 0.00 0.00 7 A 8.50 3.92 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 8 D 7.48 4.43 0.00 2.57 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 9 M 7.69 3.95 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 10 L 7.92 3.93 0.00 1.80 1.63 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.49 3.78 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 1.22 0.00 0.00 12 R 8.36 3.91 0.00 2.08 2.05 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 13 I 7.70 3.70 2.02 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 1.55 0.76 0.86 0.00 0.00 14 R 7.99 3.90 0.00 2.00 2.16 0.00 2.75 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 15 N 8.56 4.50 0.00 2.95 2.92 0.00 0.00 6.94 8.46 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 16 G 8.20 3.60 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 0.00 0.00 0.00 17 Q 8.77 4.13 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 18 A 7.95 4.11 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 19 A 7.67 4.27 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 20 N 7.88 4.34 0.00 2.84 2.81 0.00 0.00 6.94 8.62 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 21 K 7.81 4.01 0.00 1.90 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 22 A 8.53 3.97 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 23 A 7.40 5.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.67 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 0.71 0.00 0.00 0.95 0.00 0.00 25 T 8.34 5.29 4.26 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 1.24 0.00 0.00 26 M 7.99 4.39 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 27 P 0.00 5.22 0.00 2.10 2.12 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 28 S 8.69 4.71 0.00 3.92 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 29 S 8.64 4.59 0.00 3.96 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 30 K 8.33 4.20 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.56 7.81 31 L 7.88 3.90 0.00 1.74 1.64 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.57 3.78 0.00 2.11 1.82 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 8.01 3.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.03 0.00 0.00 34 A 7.87 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.55 1.90 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 1.41 0.90 0.84 0.00 0.00 36 A 7.65 3.74 0.69 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 0.00 0.00 37 N 8.16 4.28 0.00 2.76 3.03 0.00 0.00 6.88 7.63 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 38 V 7.79 3.66 2.22 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 1.02 0.00 0.00 1.06 0.00 0.00 39 L 7.97 4.20 0.00 1.94 1.79 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.19 4.22 0.00 2.07 2.18 0.00 1.84 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.57 7.81 41 E 8.72 4.19 0.00 2.10 2.02 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 2.65 2.55 0.00 42 E 7.68 4.49 0.00 2.15 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 2.55 2.57 0.00 43 G 7.81 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 0.00 0.00 0.00 44 F 8.25 4.82 0.00 3.24 2.99 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 45 I 7.33 4.76 2.09 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 1.56 0.64 0.98 0.00 0.00 46 E 9.12 4.14 0.00 2.06 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 0.00 2.40 2.34 0.00 47 D 7.98 4.72 0.00 2.73 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 0.00 0.00 0.00 0.00 48 F 8.26 5.08 0.00 3.06 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 49 K 8.80 4.66 0.00 1.80 1.75 0.00 1.41 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.43 7.81 50 V 8.20 5.16 2.18 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 1.18 0.00 0.00 1.00 0.00 0.00 51 E 8.65 4.23 0.00 2.33 1.89 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 2.37 2.32 0.00 52 G 8.62 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.93 4.69 0.00 2.66 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 54 T 7.86 3.89 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 1.22 0.00 0.00 55 K 7.72 4.38 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 P 0.00 4.63 0.00 2.13 2.19 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 57 E 9.10 5.12 0.00 2.14 1.92 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 2.20 2.27 0.00 58 L 8.40 4.62 0.00 1.80 1.54 0.89 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.42 4.64 0.00 2.06 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 2.36 2.42 0.00 60 L 8.62 4.78 0.00 1.85 1.76 0.96 0.74 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 61 T 8.38 4.54 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 1.27 0.00 0.00 62 L 8.13 4.77 0.00 1.97 1.83 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.39 4.81 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 64 Y 8.59 4.84 0.00 3.04 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 65 F 8.72 4.68 0.00 3.00 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 66 Q 8.41 4.13 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 67 G 8.49 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 68 K 8.66 4.66 0.00 1.78 1.68 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.47 7.81 69 A 8.36 4.44 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 70 V 7.54 3.54 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 0.99 0.00 0.00 1.00 0.00 0.00 71 V 7.74 3.74 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 0.70 0.00 0.00 0.92 0.00 0.00 72 E 8.51 4.19 0.00 2.13 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 2.27 2.26 0.00 73 S 7.56 4.42 0.00 3.87 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 74 I 8.30 4.51 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.83 0.00 0.00 75 Q 8.40 4.73 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 76 R 8.49 3.83 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 V 8.43 3.77 1.76 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 0.50 0.00 0.00 -0.26 0.00 0.00 78 S 7.85 4.31 0.00 3.66 3.76 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 79 R 7.28 4.11 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 80 P 0.00 4.34 0.00 2.22 2.23 0.00 3.80 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 2.04 1.94 0.00 81 G 8.52 4.02 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 0.00 82 L 6.93 4.75 0.00 1.56 1.52 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.83 4.13 0.00 2.01 1.68 0.00 3.55 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 84 I 8.02 4.56 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.88 0.00 0.00 85 Y 8.80 4.81 0.00 2.77 2.85 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 0.00 0.00 0.00 86 K 8.49 4.79 0.00 1.73 1.70 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.56 7.81 87 R 8.33 4.61 0.00 2.05 1.87 0.00 3.16 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 88 K 8.70 3.88 0.00 1.87 1.98 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.00 4.80 0.00 2.80 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 90 E 8.45 4.50 0.00 1.85 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 0.00 2.23 2.30 0.00 91 L 8.15 3.89 0.00 1.67 1.65 0.99 1.05 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 92 P 0.00 4.35 0.00 1.88 2.02 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 93 K 7.89 4.22 0.00 1.64 1.68 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 94 V 7.91 3.13 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 0.86 0.00 0.00 0.62 0.00 0.00 95 M 9.27 3.28 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 96 A 9.02 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.04 4.01 0.00 1.70 1.77 0.92 0.73 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 99 G 7.92 4.37 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 0.00 100 I 8.74 4.89 1.96 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 1.59 1.20 1.09 0.00 0.00 101 A 9.80 5.14 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 0.00 102 V 8.40 3.82 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 0.91 0.00 0.00 0.91 0.00 0.00 103 V 8.66 4.66 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 0.99 0.00 0.00 1.01 0.00 0.00 104 S 9.09 4.91 0.00 3.90 3.74 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 0.00 105 T 8.40 4.83 4.26 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 1.23 0.00 0.00 106 S 8.79 4.37 0.00 3.87 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 0.00 107 K 9.06 4.34 0.00 1.80 1.84 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 108 G 6.75 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 0.00 0.00 0.00 0.00 109 V 7.74 4.43 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 0.81 0.00 0.00 0.93 0.00 0.00 110 M 8.46 4.88 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 111 T 8.25 4.61 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 112 D 8.47 4.36 0.00 2.93 3.11 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 0.00 113 R 8.18 3.81 0.00 1.86 1.99 0.00 3.37 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 114 A 7.96 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.15 3.93 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 0.00 116 R 8.08 3.84 0.00 1.96 2.21 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 117 Q 7.98 4.17 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 118 A 8.18 4.14 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.94 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 0.00 0.00 0.00 120 L 7.74 4.62 0.00 1.58 1.61 0.93 1.00 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 0.00 121 G 8.54 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 0.00 122 G 7.84 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.72 4.17 0.00 2.06 1.79 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 2.02 1.64 0.00 124 I 7.68 4.17 1.79 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.99 0.00 0.00 125 I 8.31 4.58 2.02 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 1.21 0.79 0.84 0.00 0.00 126 C 7.58 4.69 0.00 2.94 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 0.00 127 Y 7.67 5.29 0.00 2.79 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 0.00 128 V 7.95 3.48 1.72 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 -0.20 0.00 0.00 0.73 0.00 0.00 129 A 8.01 4.33 1.21 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 0.00 0.00 0.00 0.00 0.00