NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3242 8.3645 123.5822 52.1968 19.7997 177.0876 1 N 4.7146 8.5878 117.3157 50.9470 40.3515 170.5607 2 Q 4.3027 8.4721 119.9593 56.4544 30.4740 174.9900 3 A 4.7358 8.6203 128.4539 51.3487 21.1110 175.7799 4 S 5.1972 8.9292 115.6299 56.2753 67.3440 173.5984 5 V 4.3111 8.5177 122.1067 62.8831 32.4175 175.0026 6 V 4.8857 8.6710 127.2736 60.5800 34.9623 174.3554 7 A 4.4723 8.8946 130.0146 52.4508 18.7801 177.4178 8 N 4.7234 9.4090 121.9645 54.5589 39.6105 174.1344 9 Q 4.6163 7.5794 114.1159 55.2682 31.9193 173.6870 10 L 4.1909 8.4794 122.1957 55.5005 42.8237 175.9065 11 I 4.3747 8.6725 127.9693 59.0737 38.8011 173.8147 12 P 4.6925 0.0000 0.0000 61.8299 32.7250 176.1012 13 I 3.9021 8.2470 122.1400 62.7586 38.2875 175.6259 14 N 4.3691 8.5697 122.5455 53.7503 36.9331 174.3110 15 A 4.3414 7.8008 120.7263 51.6787 19.8054 177.2121 16 A 4.7267 8.3943 122.3822 51.2619 19.8514 177.5025 17 L 4.2945 9.0371 123.3895 54.9073 43.0613 176.5134 18 T 4.8922 8.2781 112.2546 59.4671 72.3453 175.0141 19 L 4.0484 8.5465 121.5779 57.7324 41.8173 180.2260 20 V 3.7337 7.7216 116.8814 64.3595 31.6404 176.8943 21 M 4.2178 8.1059 119.7581 56.6239 32.2330 175.1834 22 M 5.1797 7.8278 118.4805 53.3930 34.6087 175.3724 23 R 4.6753 8.9531 120.3347 54.3524 33.4440 174.3301 24 S 5.1626 8.4624 113.2252 56.6310 64.4249 172.8154 25 E 4.7228 8.9719 125.3208 54.7964 34.4855 174.9832 26 V 4.3480 8.3946 122.7906 62.1550 31.5919 175.3394 27 V 4.6297 8.2523 120.2786 59.4965 35.3928 175.3292 28 T 4.6733 8.0280 110.1944 58.9352 71.4351 172.2692 29 P 4.4064 0.0000 0.0000 62.4553 32.0618 176.0444 30 V 3.8443 8.2171 119.7122 62.8772 32.7865 176.1832 31 G 4.3114 8.3958 115.4908 45.5439 0.0000 173.1563 32 I 3.9059 8.3998 124.1917 60.7693 38.3528 174.3151 33 P 4.6350 0.0000 0.0000 62.8110 31.8693 177.4414 34 A 3.9643 9.0436 127.4232 55.0757 18.4774 179.1020 35 E 4.2014 8.0909 111.8435 58.2353 30.1529 177.1584 36 D 4.6831 8.3640 119.6404 54.8001 41.7152 178.0266 37 I 3.6925 7.8705 121.9490 64.1251 37.7244 176.2791 38 P 4.2604 0.0000 0.0000 65.7495 31.1671 178.2396 39 R 4.3077 7.8075 114.3833 57.4175 30.5122 177.2855 40 L 4.3234 7.8301 117.9503 55.6815 42.2780 177.0947 41 V 3.9070 6.9946 117.9768 64.4595 31.6208 176.3839 42 S 4.1980 9.0392 122.4443 58.8308 61.7706 169.7987 43 M 4.4597 7.9585 120.4102 55.2002 33.3817 175.2627 44 Q 5.1514 8.5191 119.1521 54.6208 31.7630 175.3900 45 V 4.6525 8.3107 115.6686 60.3965 33.9590 176.1669 46 N 5.1425 8.9019 120.1258 52.6452 38.4576 173.9648 47 R 4.9390 7.5211 114.1420 55.2009 32.5011 174.1906 48 A 4.3139 8.5111 121.7087 51.9686 19.4248 177.5513 49 V 4.2085 8.7740 122.0459 60.1632 33.6732 173.2347 50 P 4.6281 0.0000 0.0000 62.0599 32.7108 175.8504 51 L 3.9668 8.4727 123.2226 57.2257 42.1179 177.7645 52 G 3.9709 9.0309 114.0662 45.5837 0.0000 173.5549 53 T 4.2405 7.6371 117.2758 63.3992 69.8334 174.2224 54 T 4.4514 8.3526 122.1925 63.3094 69.6196 173.8411 55 L 4.2870 8.9236 129.1297 54.6536 43.3636 175.6592 56 M 4.8130 8.3896 125.3129 52.7227 34.6268 174.9384 57 P 3.9670 0.0000 0.0000 65.8857 31.5619 178.2959 58 D 4.5655 8.0109 114.7173 55.2768 39.7044 176.6353 59 M 4.6639 8.2147 119.1018 55.2369 32.7043 175.5456 60 V 4.6136 7.2948 120.0737 60.3756 33.1244 174.8918 61 K 4.1630 8.8613 128.3997 57.8227 32.1311 177.6430 62 G 3.9501 9.0009 112.0952 45.3344 0.0000 172.5609 63 Y 4.1941 7.6241 121.1391 57.4691 39.1399 175.1254 64 A 4.3778 7.6551 125.9108 51.6985 21.2210 175.5238 65 A 4.0573 6.3852 125.0191 52.5367 19.0245 177.6902 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 0 A 8.36 4.32 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 1 N 8.59 4.71 0.00 2.79 2.68 0.00 0.00 6.75 6.57 0.00 0.00 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 Q 8.47 4.30 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 3 A 8.62 4.74 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 4 S 8.93 5.20 0.00 3.69 3.71 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 5 V 8.52 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 0.94 0.00 0.00 0.93 0.00 0.00 6 V 8.67 4.89 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 1.10 0.00 0.00 0.92 0.00 0.00 7 A 8.89 4.47 1.33 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 0.00 0.00 8 N 9.41 4.72 0.00 2.69 2.97 0.00 0.00 7.06 7.27 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 9 Q 7.58 4.62 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 10 L 8.48 4.19 0.00 1.65 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.67 4.37 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 1.22 0.78 0.90 0.00 0.00 12 P 0.00 4.69 0.00 2.07 1.96 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 13 I 8.25 3.90 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 1.41 0.82 0.91 0.00 0.00 14 N 8.57 4.37 0.00 2.88 2.93 0.00 0.00 6.98 8.30 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 15 A 7.80 4.34 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 16 A 8.39 4.73 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 17 L 9.04 4.29 0.00 1.76 1.59 0.96 0.31 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 18 T 8.28 4.89 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 1.21 0.00 0.00 19 L 8.55 4.05 0.00 1.73 1.76 0.92 0.78 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 20 V 7.72 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 21 M 8.11 4.22 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 22 M 7.83 5.18 0.00 1.87 1.94 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 2.50 2.42 0.00 23 R 8.95 4.68 0.00 1.83 2.03 0.00 2.70 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 24 S 8.46 5.16 0.00 3.85 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 25 E 8.97 4.72 0.00 1.91 1.75 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 2.22 2.24 0.00 26 V 8.39 4.35 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 0.83 0.00 0.00 0.93 0.00 0.00 27 V 8.25 4.63 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 0.82 0.00 0.00 0.92 0.00 0.00 28 T 8.03 4.67 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 1.21 0.00 0.00 29 P 0.00 4.41 0.00 2.19 2.09 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.22 3.84 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.40 4.31 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 0.00 32 I 8.40 3.91 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.77 0.00 0.00 33 P 0.00 4.63 0.00 2.11 2.01 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 34 A 9.04 3.96 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 E 8.09 4.20 0.00 2.08 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 0.00 2.29 2.40 0.00 36 D 8.36 4.68 0.00 2.96 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 37 I 7.87 3.69 1.88 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 1.29 0.68 0.91 0.00 0.00 38 P 0.00 4.26 0.00 2.18 2.13 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 39 R 7.81 4.31 0.00 2.02 2.02 0.00 3.17 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 40 L 7.83 4.32 0.00 1.88 1.70 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.99 3.91 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 0.76 0.00 0.00 1.03 0.00 0.00 42 S 9.04 4.20 0.00 4.08 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 43 M 7.96 4.46 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 44 Q 8.52 5.15 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 45 V 8.31 4.65 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 0.95 0.00 0.00 1.02 0.00 0.00 46 N 8.90 5.14 0.00 2.82 3.02 0.00 0.00 6.72 8.49 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 47 R 7.52 4.94 0.00 1.79 1.90 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 A 8.51 4.31 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 49 V 8.77 4.21 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 1.04 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.63 0.00 2.10 1.96 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 51 L 8.47 3.97 0.00 1.59 1.60 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.03 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 53 T 7.64 4.24 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 1.19 0.00 0.00 54 T 8.35 4.45 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 1.24 0.00 0.00 55 L 8.92 4.29 0.00 1.69 1.45 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.39 4.81 0.00 2.13 1.94 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 2.60 0.00 57 P 0.00 3.97 0.00 2.26 2.42 0.00 3.58 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 2.18 2.12 0.00 58 D 8.01 4.57 0.00 2.79 2.81 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 0.00 0.00 0.00 0.00 59 M 8.21 4.66 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 60 V 7.29 4.61 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 1.09 0.00 0.00 0.80 0.00 0.00 61 K 8.86 4.16 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.00 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 0.00 0.00 0.00 63 Y 7.62 4.19 0.00 2.86 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 64 A 7.66 4.38 1.10 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 0.00 0.00 65 A 6.39 4.06 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