NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4863 8.2893 120.3515 55.8197 34.2399 175.9007 2 V 4.3250 7.0845 114.5044 57.5106 32.2777 170.7694 3 P 4.4591 0.0000 0.0000 63.2194 30.7519 177.2654 4 H 4.1764 8.4050 123.4630 59.6860 28.2680 177.4013 5 T 3.8809 7.4776 110.9521 64.5780 68.9708 175.6674 6 L 4.0593 7.8925 122.8164 57.7871 41.8602 178.5972 7 S 4.2782 7.6744 112.0391 61.1037 62.4677 175.9030 8 T 4.0217 7.7990 117.5563 65.1166 68.5254 174.7139 9 L 4.3020 7.0221 120.4016 54.8224 43.0914 176.3885 10 K 5.0703 8.5741 119.8646 54.9921 36.1546 176.0225 11 T 4.8784 8.9976 113.9043 60.2801 71.1051 175.3579 12 A 4.2219 8.7324 123.7278 54.5314 18.4235 177.9321 13 D 4.8234 8.2129 114.7051 53.7055 40.9076 175.6604 14 N 4.2664 7.9583 115.6723 54.7749 38.1009 173.8833 15 R 4.7738 7.5660 113.4952 52.6080 33.7614 173.4079 16 P 4.6145 0.0000 0.0000 62.6230 31.6991 177.3311 17 A 4.3925 8.6240 125.9961 54.1167 18.2340 179.3859 18 S 4.1165 8.0499 113.2190 61.5355 63.0018 176.6036 19 V 3.8184 7.3827 120.7686 65.4085 31.2246 176.8275 20 Y 4.3444 7.5909 114.1534 58.1929 38.1629 175.1837 21 L 4.7249 7.6801 120.0652 53.1524 43.9261 175.9607 22 K 4.5975 7.9842 115.5078 55.0519 35.6447 177.4849 23 K 4.5177 8.8641 122.0427 57.4424 32.7981 176.8238 24 D 4.9071 7.9340 117.7559 53.2955 40.9365 175.9140 25 K 4.8891 7.6530 118.6128 53.6691 36.5635 174.3617 26 P 4.6801 0.0000 0.0000 63.4603 32.5948 175.4945 27 T 5.0464 8.7699 120.2631 62.1991 71.4972 173.7872 28 L 5.3331 8.7648 123.3458 53.3577 45.1888 175.5872 29 I 4.5500 9.0640 126.2488 59.6117 39.0619 174.8084 30 K 4.8939 8.0668 128.3259 53.5199 34.6123 174.5729 31 F 5.2640 8.8046 126.4263 56.4370 40.8915 175.0629 32 W 5.6035 8.2282 119.4073 55.8888 31.7172 173.8162 33 A 4.6392 8.4444 118.7189 51.7450 20.9694 177.7252 34 S 4.5206 8.8299 115.7076 60.5026 63.1602 174.8350 35 W 4.7792 7.7130 117.2287 56.4475 28.5146 176.5166 36 C 4.7459 7.8301 119.1695 54.3750 42.6756 172.1561 37 P 4.2327 0.0000 0.0000 66.1057 31.0953 178.2991 38 L 4.1919 7.8934 116.2037 56.0491 41.7656 178.7564 39 C 4.5780 7.7318 115.8477 58.6145 36.6221 175.2803 40 L 3.9636 8.4667 122.4489 58.4012 41.7748 179.0574 41 S 4.3193 7.9894 112.3705 60.1794 63.1668 175.0755 42 E 4.2937 8.0987 119.7009 55.9177 29.5550 177.3041 43 L 3.3294 7.1239 120.8356 57.7986 41.6593 179.3076 44 G 3.4157 7.3132 104.3773 47.8480 0.0000 174.6613 45 Q 3.6886 7.7130 121.3940 59.4273 28.9116 178.8664 46 T 3.3754 7.1852 116.2378 66.3312 67.8337 176.2322 47 E 3.8155 7.7967 121.2170 58.9648 29.4399 179.0676 48 K 4.1069 7.7836 118.4139 58.7975 32.2878 179.0391 49 W 4.5234 8.3008 119.0756 60.0177 28.8591 178.3136 50 A 3.9987 7.9245 118.1790 53.9770 17.8478 177.7960 51 Q 4.5042 8.0081 114.6841 55.3781 30.4045 175.5721 52 D 4.4608 8.4042 119.8382 53.9453 41.9844 176.5958 53 A 4.0364 8.9517 128.5549 55.5634 18.2326 179.6288 54 K 3.9781 8.1050 116.6536 59.1356 32.1059 178.8756 55 F 4.2439 8.3917 117.0382 58.7077 38.8171 177.4753 56 S 4.5006 7.7937 114.8014 61.3821 62.6489 176.1108 57 S 4.5349 7.5905 116.0340 59.2982 62.7161 174.0338 58 A 4.7598 8.1051 123.6331 50.2015 21.6606 176.0148 59 N 4.5434 9.0035 120.6846 54.2108 40.1270 174.2721 60 L 5.3375 8.3542 123.1221 53.5251 45.0423 175.2624 61 I 4.6095 9.0998 119.1914 59.8803 41.6895 174.0191 62 T 4.8092 8.5845 114.0027 60.3775 72.0499 173.0423 63 V 4.8368 8.8285 119.9421 61.5825 35.2669 173.0694 64 A 4.2260 9.1223 128.8241 50.1471 22.3821 175.3027 65 S 5.1200 7.6894 115.6904 55.4911 64.4881 169.9604 66 P 4.0743 0.0000 0.0000 63.9092 31.5935 177.9984 67 G 3.7965 9.1214 111.9331 45.0022 0.0000 172.2677 68 F 5.0245 7.4637 120.8660 56.8103 42.0343 173.1020 69 L 3.4431 7.5645 124.5629 55.0930 40.1138 174.9962 70 H 4.2002 7.7074 116.9399 56.8322 31.6518 173.2388 71 E 4.4786 8.1703 117.7376 54.6484 31.2143 176.3052 72 K 4.4251 8.1297 121.4485 56.5791 33.6073 176.3896 73 K 4.5659 8.3985 120.1973 55.8365 34.4634 175.9870 74 D 4.4623 8.6210 120.7036 56.2165 41.8186 175.3462 75 G 4.4160 9.1554 116.0604 46.4160 0.0000 175.5289 76 D 4.3424 8.0546 118.5889 57.0897 41.4317 177.6136 77 F 4.2862 8.0881 120.9888 61.7204 39.2068 177.3073 78 Q 4.1524 8.2799 117.2096 58.9200 28.5539 178.5875 79 K 4.1147 7.8182 118.2938 59.2369 32.7370 178.4100 80 W 4.3693 8.6088 130.1831 59.8601 30.7365 177.4032 81 Y 3.2174 8.6564 119.8197 59.5818 38.4167 176.5526 82 A 3.7778 7.8379 120.9912 53.2063 18.5295 177.8823 83 G 3.8216 7.1430 104.0432 45.0946 0.0000 174.1631 84 L 3.8024 6.8998 117.8517 53.6150 41.7568 176.1960 85 N 3.8788 7.4639 115.5735 54.9236 37.4846 173.7164 86 Y 5.2708 7.0770 108.0723 54.6261 38.3076 174.9201 87 P 4.3666 0.0000 0.0000 64.4002 32.2699 177.8474 88 K 4.5463 7.7898 118.8507 56.0158 32.5204 175.4012 89 L 4.3607 7.4966 122.2546 52.3146 42.9114 174.0472 90 P 3.8967 0.0000 0.0000 62.7441 32.4327 175.6156 91 V 4.9581 7.9721 124.5898 59.7760 34.8612 174.1312 92 V 4.6165 8.4907 129.6681 61.9608 32.4947 175.4000 93 T 4.3788 8.8456 119.6524 62.1081 69.9375 174.7421 94 D 4.5561 8.7452 123.2272 52.2729 43.2160 172.9651 95 N 4.5733 8.5609 119.1232 55.1536 37.0452 175.0519 96 G 3.6996 8.3125 109.0773 44.1236 0.0000 171.6957 97 G 3.6497 8.4128 107.6856 46.9536 0.0000 175.2749 98 T 3.7372 7.5787 118.4524 66.7249 69.1498 177.0143 99 I 3.7545 7.9746 121.4277 64.3067 37.2667 178.0628 100 A 3.4253 8.2339 121.1490 55.4192 18.0404 179.3686 101 Q 4.0642 7.9530 117.5575 59.4343 28.8443 178.6047 102 S 4.1845 7.7847 115.0147 60.5288 62.9500 175.4718 103 L 4.4075 7.7136 119.0705 53.2300 43.0388 175.6034 104 N 4.0240 7.5051 115.3197 54.4384 35.7242 176.5462 105 I 3.9259 7.8383 119.0164 59.8279 36.9008 175.7938 106 S 4.3846 8.0374 119.1708 57.9799 63.5413 174.3850 107 V 4.3083 7.1387 112.8642 59.5503 33.3373 174.3271 108 Y 5.0075 8.1128 120.9957 55.2587 41.5701 173.6362 109 P 5.0425 0.0000 0.0000 63.4937 32.9678 174.5722 110 S 5.1616 8.6327 113.8197 57.9363 68.0028 173.4757 111 W 5.6980 9.8881 119.8500 54.9131 34.3593 174.8500 112 A 4.8009 8.6588 118.8089 51.6700 21.2778 175.0123 113 L 4.9747 8.9626 125.6989 54.8858 44.2313 175.5502 114 I 4.8399 9.1095 126.9459 59.1716 40.0630 175.4783 115 G 4.2866 8.9435 115.5440 46.0803 0.0000 173.9434 116 K 4.3272 8.8472 119.7252 59.8208 32.4820 177.9139 117 D 4.3092 7.9892 117.4496 55.6820 41.2480 176.6655 118 G 3.9601 8.7273 107.0614 45.4408 0.0000 172.6206 119 D 4.8804 7.6336 118.8954 51.7313 43.1076 176.0046 120 V 4.0676 7.7837 122.9462 62.3533 31.8765 175.8284 121 Q 4.6314 8.5731 119.7287 57.1046 31.6000 175.7791 122 R 4.5212 7.6159 111.7688 55.9346 32.3304 174.1066 123 I 5.0073 8.4341 120.6965 60.3231 40.8237 174.5152 124 V 4.4744 8.7275 127.7258 60.5866 34.0383 175.6559 125 K 4.6874 7.5765 126.0996 52.5937 31.9816 176.1698 126 G 4.0724 7.1829 112.6726 47.0461 0.0000 172.1935 127 S 4.8777 8.7889 117.2967 56.1636 63.4078 174.1720 128 I 4.1087 8.1779 120.7714 60.9239 37.0326 175.3023 129 N 5.3531 8.6072 118.3351 52.3501 42.1205 174.3987 130 E 3.4247 9.3049 119.4990 59.0999 29.1686 178.7205 131 A 3.8266 8.0121 120.7748 55.8390 18.7576 179.4641 132 Q 3.8305 7.4360 113.1867 59.2572 28.8596 179.3637 133 A 3.6826 7.5963 121.3002 54.8879 18.2265 179.4604 134 L 3.5169 7.4407 116.6927 58.0353 41.7803 179.6496 135 A 3.8832 7.8563 120.3655 54.8007 18.0547 179.3923 136 L 4.0833 7.7504 119.9978 57.4655 42.1300 178.7082 137 I 4.0138 7.4323 118.6872 63.5735 37.5875 177.5193 138 R 3.9236 7.8980 118.8979 57.7476 30.2613 176.0297 139 D 4.9369 7.5308 116.8498 51.3041 43.9279 174.7090 140 P 4.2482 0.0000 0.0000 65.1197 31.6442 176.4476 141 N 4.6936 7.9391 115.8923 53.0880 38.9449 174.9510 142 A 4.1493 7.6164 122.2329 50.9545 17.3441 175.0394 143 D 4.6167 8.4587 124.6400 53.9711 42.2465 173.6343 144 L 4.3311 8.1470 123.7364 55.3393 42.4427 176.0043 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 4.49 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 V 7.08 4.33 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 0.78 0.00 0.00 0.96 0.00 0.00 3 P 0.00 4.46 0.00 2.27 2.25 0.00 3.72 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 2.08 2.03 0.00 4 H 8.41 4.18 0.00 3.37 3.63 0.00 5.46 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 5 T 7.48 3.88 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 1.24 0.00 0.00 6 L 7.89 4.06 0.00 1.78 1.88 0.94 0.88 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 7 S 7.67 4.28 0.00 3.89 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 8 T 7.80 4.02 4.40 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 1.23 0.00 0.00 9 L 7.02 4.30 0.00 1.95 1.61 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.57 5.07 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.42 7.81 11 T 9.00 4.88 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 1.39 0.00 0.00 12 A 8.73 4.22 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 13 D 8.21 4.82 0.00 2.82 2.78 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 14 N 7.96 4.27 0.00 2.81 2.90 0.00 0.00 6.87 8.07 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 15 R 7.57 4.77 0.00 1.94 1.85 0.00 3.22 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 16 P 0.00 4.61 0.00 2.24 2.22 0.00 3.72 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 2.06 1.96 0.00 17 A 8.62 4.39 1.39 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 0.00 0.00 0.00 18 S 8.05 4.12 0.00 4.09 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 0.00 19 V 7.38 3.82 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 0.61 0.00 0.00 0.88 0.00 0.00 20 Y 7.59 4.34 0.00 3.25 2.95 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 21 L 7.68 4.72 0.00 1.62 1.65 0.96 0.95 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 K 7.98 4.60 0.00 2.04 1.68 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.70 1.39 7.81 23 K 8.86 4.52 0.00 1.88 1.93 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 D 7.93 4.91 0.00 2.79 2.80 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 0.00 0.00 0.00 0.00 25 K 7.65 4.89 0.00 1.61 1.94 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.40 7.81 26 P 0.00 4.68 0.00 2.17 2.23 0.00 3.91 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 2.12 2.03 0.00 27 T 8.77 5.05 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 1.31 0.00 0.00 28 L 8.76 5.33 0.00 2.00 2.11 1.18 1.08 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 29 I 9.06 4.55 1.81 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 1.00 1.06 0.17 0.00 0.00 30 K 8.07 4.89 0.00 0.79 0.75 0.00 0.69 0.00 0.00 1.23 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.92 0.64 7.81 31 F 8.80 5.26 0.00 3.33 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 32 W 8.23 5.60 0.00 3.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.44 4.64 0.23 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 0.00 0.00 0.00 34 S 8.83 4.52 0.00 3.00 3.85 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 35 W 7.71 4.78 0.00 3.54 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 36 C 7.83 4.75 0.00 2.30 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 37 P 0.00 4.23 0.00 2.33 2.33 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 38 L 7.89 4.19 0.00 1.65 1.79 0.95 0.88 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 39 C 7.73 4.58 0.00 3.15 3.22 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 40 L 8.47 3.96 0.00 2.05 1.80 1.64 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.99 4.32 0.00 4.01 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 42 E 8.10 4.29 0.00 2.09 1.69 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 2.12 2.41 0.00 43 L 7.12 3.33 0.00 1.43 0.36 0.21 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.31 3.42 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 0.00 45 Q 7.71 3.69 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 46 T 7.19 3.38 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 0.90 0.00 0.00 47 E 7.80 3.82 0.00 1.78 1.82 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 2.29 2.33 0.00 48 K 7.78 4.11 0.00 2.12 1.94 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 49 W 8.30 4.52 0.00 3.33 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 50 A 7.92 4.00 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 51 Q 8.01 4.50 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 52 D 8.40 4.46 0.00 3.20 2.92 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 53 A 8.95 4.04 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 54 K 8.11 3.98 0.00 1.85 1.62 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.45 7.81 55 F 8.39 4.24 0.00 3.35 3.06 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 56 S 7.79 4.50 0.00 4.03 3.98 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 57 S 7.59 4.53 0.00 3.94 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 58 A 8.11 4.76 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 59 N 9.00 4.54 0.00 2.76 2.85 0.00 0.00 6.06 6.86 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 60 L 8.35 5.34 0.00 1.38 1.29 0.46 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 61 I 9.10 4.61 1.68 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 0.48 0.84 0.00 0.00 62 T 8.58 4.81 4.27 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 0.79 0.00 0.00 63 V 8.83 4.84 1.51 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 0.90 0.00 0.00 0.60 0.00 0.00 64 A 9.12 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.69 5.12 0.00 3.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.07 0.00 2.14 2.02 0.00 3.72 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 67 G 9.12 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.46 5.02 0.00 2.85 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 69 L 7.56 3.44 0.00 1.57 1.49 0.91 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.71 4.20 0.00 1.69 1.53 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.17 4.48 0.00 2.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 72 K 8.13 4.43 0.00 1.80 1.75 0.00 0.85 0.00 0.00 1.60 0.00 0.00 2.45 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.32 1.23 7.81 73 K 8.40 4.57 0.00 1.82 1.90 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.44 7.81 74 D 8.62 4.46 0.00 2.64 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 75 G 9.16 4.42 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 0.00 76 D 8.05 4.34 0.00 2.78 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 77 F 8.09 4.29 0.00 3.05 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 78 Q 8.28 4.15 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 79 K 7.82 4.11 0.00 1.90 2.18 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.79 1.53 7.81 80 W 8.61 4.37 0.00 3.44 3.35 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 81 Y 8.66 3.22 0.00 2.72 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 82 A 7.84 3.78 1.27 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 0.00 0.00 83 G 7.14 3.82 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 0.00 0.00 0.00 84 L 6.90 3.80 0.00 1.27 1.50 0.61 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.46 3.88 0.00 2.32 2.31 0.00 0.00 6.62 7.39 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 86 Y 7.08 5.27 0.00 2.83 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 87 P 0.00 4.37 0.00 2.15 2.09 0.00 3.74 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 88 K 7.79 4.55 0.00 1.79 1.86 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 89 L 7.50 4.36 0.00 1.68 1.87 0.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 3.90 0.00 1.74 1.37 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 91 V 7.97 4.96 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 1.59 0.00 0.00 0.93 0.00 0.00 92 V 8.49 4.62 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 0.70 0.00 0.00 0.95 0.00 0.00 93 T 8.85 4.38 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 94 D 8.75 4.56 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.57 0.00 2.67 2.78 0.00 0.00 7.47 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.31 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 97 G 8.41 3.65 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 0.00 0.00 0.00 98 T 7.58 3.74 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 1.16 0.00 0.00 99 I 7.97 3.75 2.25 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 1.20 0.00 0.00 100 A 8.23 3.43 1.39 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 0.00 0.00 0.00 101 Q 7.95 4.06 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 102 S 7.78 4.18 0.00 4.15 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 0.00 103 L 7.71 4.41 0.00 1.62 1.63 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.51 4.02 0.00 2.75 2.85 0.00 0.00 6.81 7.51 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 0.00 105 I 7.84 3.93 1.26 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.21 0.00 0.00 106 S 8.04 4.38 0.00 3.74 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 0.00 107 V 7.14 4.31 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 0.85 0.00 0.00 0.82 0.00 0.00 108 Y 8.11 5.01 0.00 2.58 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 0.00 109 P 0.00 5.04 0.00 2.31 2.17 0.00 3.85 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 2.19 2.08 0.00 110 S 8.63 5.16 0.00 3.95 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 0.00 111 W 9.89 5.70 0.00 3.27 3.19 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 0.00 112 A 8.66 4.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 4.97 0.00 1.85 1.62 1.00 1.09 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 0.00 114 I 9.11 4.84 1.93 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 1.24 1.20 0.98 0.00 0.00 115 G 8.94 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 0.00 0.00 0.00 0.00 116 K 8.85 4.33 0.00 1.96 2.00 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 117 D 7.99 4.31 0.00 2.67 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 0.00 118 G 8.73 3.96 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 0.00 0.00 0.00 119 D 7.63 4.88 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 4.07 2.12 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 0.72 0.00 0.00 0.98 0.00 0.00 121 Q 8.57 4.63 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 122 R 7.62 4.52 0.00 1.86 2.00 0.00 2.98 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 123 I 8.43 5.01 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 1.05 0.00 0.00 124 V 8.73 4.47 2.27 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 0.96 0.00 0.00 0.94 0.00 0.00 125 K 7.58 4.69 0.00 1.88 1.81 0.00 1.31 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 126 G 7.18 4.07 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 0.00 0.00 0.00 127 S 8.79 4.88 0.00 3.96 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 0.00 128 I 8.18 4.11 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.37 0.72 0.00 0.00 129 N 8.61 5.35 0.00 2.92 2.93 0.00 0.00 7.53 7.34 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 0.00 130 E 9.30 3.42 0.00 2.09 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 2.60 3.07 0.00 131 A 8.01 3.83 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 0.00 132 Q 7.44 3.83 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 133 A 7.60 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.44 3.52 0.00 1.66 1.52 0.49 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.86 3.88 1.23 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 0.00 0.00 0.00 136 L 7.75 4.08 0.00 1.64 1.74 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.43 4.01 1.72 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 1.44 0.68 0.88 0.00 0.00 138 R 7.90 3.92 0.00 1.88 1.90 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 139 D 7.53 4.94 0.00 2.64 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 0.00 140 P 0.00 4.25 0.00 2.22 2.17 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 141 N 7.94 4.69 0.00 2.63 2.80 0.00 0.00 7.16 7.99 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 0.00 142 A 7.62 4.15 1.24 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 0.00 143 D 8.46 4.62 0.00 2.76 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 0.00 144 L 8.15 4.33 0.00 1.59 1.45 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00