NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A M 4.3844 8.3044 120.3476 55.8200 33.3189 175.1538 1P R 4.2964 7.7523 118.3530 55.3664 31.3229 170.7224 2P S 4.0998 9.2523 118.4230 58.0817 64.2327 174.0599 3P R 4.3671 8.4586 125.8972 54.1981 29.4573 173.8201 4P P 4.8181 0.0000 0.0000 61.2572 33.0429 174.3625 5P S 4.7433 8.5788 121.8402 57.1550 70.0800 173.9413 6P F 4.5961 9.2838 128.8346 55.1779 43.2823 175.0613 7P H 3.8181 8.9543 108.4304 55.3528 27.6859 174.2965 8P P 4.5538 0.0000 0.0000 61.8267 30.5796 178.0657 9P L 4.1993 8.4098 120.7683 53.7171 41.1847 176.9297 10P S 4.3818 8.3166 119.9275 58.4747 63.6123 173.4972 11P D 4.6657 8.7066 117.3057 57.0494 41.3504 178.3668 12P E 4.2015 8.2520 117.6783 59.4478 29.1903 179.0036 13P L 3.9656 7.9760 121.2679 58.1075 42.2112 178.8033 14P V 3.5251 7.6642 117.6912 66.0649 31.5862 177.1553 15P N 4.2236 8.7698 116.3711 56.7463 38.6126 176.7905 16P Y 4.0013 8.2013 120.4388 60.8622 38.8190 178.1177 17P V 3.1729 7.5884 117.4495 65.5334 31.5496 177.5035 18P N 4.2449 7.5368 115.6979 56.0292 38.5137 177.5399 19P K 3.7873 7.5905 118.0651 59.2379 32.1215 178.8768 20P R 3.7615 7.3106 117.4270 56.3599 31.1800 175.4684 21P N 3.9566 7.6068 115.0308 54.4507 35.9312 172.9042 22P T 4.2993 6.7530 113.9711 61.6419 70.1216 174.9527 23P T 4.5895 8.5794 115.1034 61.3770 68.9285 173.8400 24P W 5.2935 7.5181 116.5316 55.6266 31.1509 173.6796 25P Q 4.3057 8.7812 116.7624 54.2701 30.2749 175.2863 26P A 4.7060 7.9821 124.3648 51.0630 20.7002 175.4560 27P G 3.9433 7.8161 106.1154 46.3089 0.0000 171.9568 28P H 4.6761 8.8944 116.6087 54.6063 29.8035 174.5720 29P N 4.5999 8.8063 121.3657 54.4718 39.8278 175.2936 30P F 4.6726 7.8938 115.2148 56.0570 40.4953 174.8678 31P Y 4.6731 8.1772 121.7381 57.4500 41.8758 174.8832 32P N 4.2458 9.0817 121.1021 55.0522 37.1304 173.8123 33P V 4.4895 7.3149 109.8626 59.4876 36.0428 175.3391 34P D 4.8167 8.4337 122.3280 53.5294 42.2877 177.2308 35P M 3.7566 8.3549 125.3820 58.4934 31.9208 179.2174 36P S 4.2326 8.0656 114.6885 61.4383 62.9072 175.6897 37P Y 4.1533 8.8537 123.3165 60.8510 38.4206 177.9411 38P L 3.6309 7.9738 118.5469 57.6323 41.9135 179.6034 39P K 4.0626 7.8224 117.7976 59.4419 32.0033 179.4640 40P R 3.9431 7.7563 117.1539 58.8554 29.9428 177.8877 41P L 4.0505 7.5132 119.8563 57.1665 43.1230 177.1055 42P C 4.3424 7.5894 117.9998 58.2724 26.9798 174.0959 43P G 4.0707 7.8384 118.6629 44.8621 0.0000 171.5395 44P T 4.3209 7.3377 113.2145 61.3835 72.5483 174.2983 45P F 4.9100 8.2143 124.0418 56.4926 40.2976 175.3336 46P L 4.4872 8.3095 124.7268 55.6542 42.6926 174.9017 47P G 3.8799 8.9153 111.2167 44.6791 0.0000 170.9007 48P G 4.2132 9.0136 111.4202 44.2589 0.0000 172.6752 49P P 4.9232 0.0000 0.0000 59.4063 31.8522 174.5467 50P K 3.7013 8.0538 120.2156 57.2613 32.8639 173.8198 51P P 4.4037 0.0000 0.0000 63.4547 32.8550 174.9376 52P P 4.1205 0.0000 0.0000 61.2820 33.3703 177.7218 53P Q 4.2239 8.1940 130.5717 56.0602 31.2639 174.0787 54P R 4.0497 8.5627 124.8335 55.9412 28.9045 176.6663 55P V 3.9434 7.9657 125.4662 61.0896 28.9570 174.3223 56P M 3.9625 8.2390 125.7501 56.7248 32.3182 177.2611 57P F 4.6446 8.7185 127.0784 57.2091 37.9425 172.3346 58P T 4.0425 8.8528 113.8299 58.2790 70.1189 173.8763 59P E 5.3394 8.9075 135.0000 57.0101 31.9209 174.7950 60P D 4.2774 9.5267 127.7300 53.1451 38.0501 174.8266 61P L 4.3540 6.8715 116.0406 54.6424 41.6193 175.9134 62P K 4.1140 8.3076 125.2833 57.6738 32.6077 177.6357 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 1A M 8.30 4.38 0.00 1.98 2.02 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 2.47 2.53 0.00 1P R 7.75 4.30 0.00 1.82 1.76 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.72 0.00 2P S 9.25 4.10 0.00 3.91 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 3P R 8.46 4.37 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 4P P 0.00 4.82 0.00 2.11 2.07 0.00 3.79 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 1.99 2.01 0.00 5P S 8.58 4.74 0.00 3.85 3.36 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 6P F 9.28 4.60 0.00 3.07 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7P H 8.95 3.82 0.00 2.37 2.92 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8P P 0.00 4.55 0.00 2.22 2.00 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 9P L 8.41 4.20 0.00 1.68 1.70 0.97 0.78 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 10P S 8.32 4.38 0.00 3.98 3.90 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 11P D 8.71 4.67 0.00 2.79 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 12P E 8.25 4.20 0.00 2.24 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 0.00 2.37 2.38 0.00 13P L 7.98 3.97 0.00 1.77 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14P V 7.66 3.53 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 0.97 0.00 0.00 0.72 0.00 0.00 15P N 8.77 4.22 0.00 2.75 2.90 0.00 0.00 6.97 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 16P Y 8.20 4.00 0.00 3.09 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 17P V 7.59 3.17 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 -0.35 0.00 0.00 1.06 0.00 0.00 18P N 7.54 4.24 0.00 2.83 2.71 0.00 0.00 6.78 8.64 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 19P K 7.59 3.79 0.00 1.61 1.81 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.66 7.81 20P R 7.31 3.76 0.00 1.30 1.42 0.00 3.37 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 21P N 7.61 3.96 0.00 2.81 2.77 0.00 0.00 6.87 7.67 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 22P T 6.75 4.30 4.11 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 0.60 0.00 0.00 23P T 8.58 4.59 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 1.25 0.00 0.00 24P W 7.52 5.29 0.00 3.53 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 25P Q 8.78 4.31 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 26P A 7.98 4.71 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 27P G 7.82 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 0.00 0.00 0.00 28P H 8.89 4.68 0.00 3.14 2.71 0.00 5.88 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29P N 8.81 4.60 0.00 2.73 2.45 0.00 0.00 7.15 7.55 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 30P F 7.89 4.67 0.00 3.00 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 31P Y 8.18 4.67 0.00 2.90 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 32P N 9.08 4.25 0.00 2.87 2.89 0.00 0.00 6.87 7.73 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 33P V 7.31 4.49 2.31 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 1.00 0.00 0.00 1.13 0.00 0.00 34P D 8.43 4.82 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35P M 8.35 3.76 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 36P S 8.07 4.23 0.00 4.09 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 37P Y 8.85 4.15 0.00 2.99 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 38P L 7.97 3.63 0.00 1.51 1.51 1.00 0.74 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 39P K 7.82 4.06 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.58 7.81 40P R 7.76 3.94 0.00 2.02 1.91 0.00 3.30 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 41P L 7.51 4.05 0.00 1.57 1.54 0.62 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 42P C 7.59 4.34 0.00 3.06 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 43P G 7.84 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 44P T 7.34 4.32 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 1.16 0.00 0.00 45P F 8.21 4.91 0.00 3.04 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 46P L 8.31 4.49 0.00 1.64 1.64 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47P G 8.92 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 0.00 0.00 0.00 48P G 9.01 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 49P P 0.00 4.92 0.00 2.13 2.03 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 50P K 8.05 3.70 0.00 1.72 1.81 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 51P P 0.00 4.40 0.00 2.08 1.98 0.00 3.73 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 2.01 2.20 0.00 52P P 0.00 4.12 0.00 2.12 1.88 0.00 3.72 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 1.98 2.12 0.00 53P Q 8.19 4.22 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.22 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 54P R 8.56 4.05 0.00 1.76 1.90 0.00 3.32 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 55P V 7.97 3.94 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 0.80 0.00 0.00 0.98 0.00 0.00 56P M 8.24 3.96 0.00 2.02 2.09 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 2.61 2.65 0.00 57P F 8.72 4.64 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58P T 8.85 4.04 4.13 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 1.13 0.00 0.00 59P E 8.91 5.34 0.00 2.00 1.86 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 2.05 2.00 0.00 60P D 9.53 4.28 0.00 2.85 2.72 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 61P L 6.87 4.35 0.00 1.65 1.45 0.82 0.37 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 62P K 8.31 4.11 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81