NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4793 8.0276 122.7568 54.8695 43.4664 175.2337 2 K 4.7860 8.4380 124.5756 54.0369 35.8309 173.6571 3 C 4.8271 9.6644 126.2052 56.5610 49.4725 175.0109 4 H 4.9987 8.8706 112.8156 54.3907 32.4935 172.3223 5 N 5.1062 8.2902 117.0203 54.6948 42.2020 176.1913 6 T 3.8014 7.9636 116.4609 65.8047 68.9230 176.1164 7 Q 3.6681 8.1582 121.9480 57.1290 28.2704 173.7579 8 L 3.9199 8.6400 120.0995 55.0068 42.4760 174.3315 9 P 4.0622 0.0000 0.0000 60.2827 32.2752 176.9283 10 F 4.0539 8.9748 124.9102 60.7086 39.7444 175.0577 11 I 2.8082 7.1557 119.9054 61.2424 37.7600 173.5351 12 Y 4.4877 4.0000 127.6644 55.4236 40.3687 173.9418 13 K 4.6695 7.8086 117.0438 56.1146 37.3703 175.6781 14 T 4.4718 8.3788 117.8462 63.6117 69.5187 176.3053 15 C 4.6775 8.3989 121.4221 56.6609 41.7948 169.7241 16 P 5.0008 0.0000 0.0000 61.0107 33.9635 173.7961 17 E 4.1538 8.5699 118.3831 57.9200 29.9892 177.0782 18 G 4.0121 9.6775 111.1293 45.4513 0.0000 174.2307 19 K 5.3421 7.3326 116.9282 53.6516 32.5042 175.3150 20 N 4.6055 8.2077 118.2962 54.4132 40.3184 174.5180 21 L 5.0325 7.3177 118.7748 54.7885 45.4669 175.3912 22 C 5.1758 8.3240 115.4863 57.1601 40.2795 173.5163 23 F 5.3540 8.4481 117.8399 55.3638 41.5327 173.3424 24 K 4.1834 8.3011 114.5658 56.1850 36.0275 174.1868 25 A 5.1753 9.3798 123.7760 50.8720 23.1478 174.4466 26 T 4.9220 8.5142 107.0704 60.9453 72.5139 172.8212 27 L 4.8995 7.9274 121.9878 52.2543 44.3144 176.8860 28 K 4.1571 8.0182 120.7317 56.6283 30.4607 178.4184 29 K 4.0695 8.4395 120.8959 58.1759 32.7534 176.9462 30 F 5.0646 7.7591 119.4513 55.6580 42.3088 173.2579 31 P 4.7533 0.0000 0.0000 60.4713 28.1117 174.9190 32 L 4.9730 8.3781 128.0879 51.2280 40.7747 176.5776 33 K 4.1841 9.1249 120.5349 56.9525 32.8958 176.5948 34 F 4.8802 8.6404 117.9936 57.6990 39.3324 172.7111 35 P 3.7875 0.0000 0.0000 63.2382 30.2311 172.7098 36 V 4.4117 7.8202 113.3579 62.6266 32.3515 176.2132 37 K 4.6061 7.1833 117.2820 54.9110 37.5163 173.9286 38 R 3.7381 7.4660 118.8958 55.5603 34.6983 174.2287 39 G 4.1483 6.5115 104.4361 46.6781 0.0000 170.5673 40 C 5.1476 8.7796 118.0342 55.4207 43.5707 171.2028 41 A 4.6571 7.9249 121.5546 52.5065 21.1072 173.8353 42 D 4.7445 7.6640 119.5737 54.8821 47.3800 177.0240 43 N 4.1525 8.3899 119.2509 53.8254 37.1809 177.9428 44 C 5.3100 9.0774 126.7351 56.5790 43.7862 171.7918 45 P 3.9478 0.0000 0.0000 62.6060 31.4965 177.2563 46 K 4.2141 7.5294 121.4445 54.0839 30.4604 175.0545 47 N 4.3252 7.6765 119.9932 52.5736 39.8295 174.2093 48 S 4.9127 7.9096 113.8126 56.6718 64.7642 174.0997 49 A 4.2522 8.7210 121.9351 54.8346 18.4297 179.3616 50 L 4.4474 7.5276 113.1043 54.9228 44.3328 174.0059 51 L 5.3687 7.6339 121.9980 54.0670 46.0725 174.2893 52 K 4.9245 8.3518 117.3133 55.6348 35.8449 175.3606 53 Y 5.2835 8.6426 123.2168 56.5940 41.8408 175.2863 54 V 4.8475 9.0217 114.2550 60.2850 36.8407 171.8143 55 C 5.7441 8.5978 117.5135 54.4319 38.8290 174.1183 56 C 4.6459 8.6936 125.2045 55.5905 45.9361 172.3453 57 S 4.4734 8.8207 110.0451 59.1477 64.8889 175.0629 58 T 4.5038 7.5812 109.1042 59.4553 71.0052 172.7295 59 D 4.6823 8.4830 122.2650 55.2045 40.9132 176.6182 60 K 3.8571 8.0832 122.2198 57.9439 31.8728 176.0211 61 C 4.3721 8.0226 121.4744 59.7517 43.8635 173.0995 62 N 4.4185 8.2013 120.6306 53.2205 36.5334 174.3885 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 L 8.03 4.48 0.00 1.72 1.63 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.44 4.79 0.00 1.90 1.87 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.48 7.81 3 C 9.66 4.83 0.00 3.03 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.87 5.00 0.00 3.15 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.29 5.11 0.00 2.75 2.93 0.00 0.00 6.38 7.62 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 6 T 7.96 3.80 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 1.17 0.00 0.00 7 Q 8.16 3.67 0.00 2.40 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 8 L 8.64 3.92 0.00 1.59 1.66 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.06 0.00 2.19 1.96 0.00 3.95 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 2.11 2.04 0.00 10 F 8.97 4.05 0.00 3.16 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 11 I 7.16 2.81 1.80 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 1.16 0.32 0.77 0.00 0.00 12 Y 4.00 4.49 0.00 2.98 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.67 0.00 1.67 1.67 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.49 7.81 14 T 8.38 4.47 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 1.30 0.00 0.00 15 C 8.40 4.68 0.00 2.92 3.16 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 16 P 0.00 5.00 0.00 2.01 1.98 0.00 3.70 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 1.93 2.07 0.00 17 E 8.57 4.15 0.00 1.96 1.88 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 2.30 2.25 0.00 18 G 9.68 4.01 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 0.00 0.00 0.00 19 K 7.33 5.34 0.00 1.87 1.75 0.00 1.94 0.00 0.00 2.29 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.32 7.81 20 N 8.21 4.61 0.00 2.69 2.85 0.00 0.00 7.22 7.79 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 21 L 7.32 5.03 0.00 1.77 1.76 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.32 5.18 0.00 2.82 2.89 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 23 F 8.45 5.35 0.00 3.15 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.30 4.18 0.00 1.60 1.59 0.00 1.17 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.25 7.81 25 A 9.38 5.18 -0.21 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 26 T 8.51 4.92 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 1.17 0.00 0.00 27 L 7.93 4.90 0.00 1.70 1.63 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.02 4.16 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 29 K 8.44 4.07 0.00 1.86 1.97 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 30 F 7.76 5.06 0.00 2.78 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 31 P 0.00 4.75 0.00 2.01 1.98 0.00 3.31 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 32 L 8.38 4.97 0.00 1.84 1.82 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.12 4.18 0.00 2.25 2.32 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.52 7.81 34 F 8.64 4.88 0.00 2.61 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 35 P 0.00 3.79 0.00 2.28 1.98 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 36 V 7.82 4.41 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 0.54 0.00 0.00 0.91 0.00 0.00 37 K 7.18 4.61 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 R 7.47 3.74 0.00 1.70 1.48 0.00 3.22 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 39 G 6.51 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.78 5.15 0.00 3.07 3.27 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 41 A 7.92 4.66 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.66 4.74 0.00 2.63 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 43 N 8.39 4.15 0.00 2.67 2.51 0.00 0.00 6.75 7.64 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 44 C 9.08 5.31 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.95 0.00 1.34 0.57 0.00 3.70 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 2.13 1.56 0.00 46 K 7.53 4.21 0.00 1.58 1.57 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 N 7.68 4.33 0.00 2.81 2.90 0.00 0.00 7.07 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 48 S 7.91 4.91 0.00 3.88 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 49 A 8.72 4.25 1.29 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 50 L 7.53 4.45 0.00 1.74 1.62 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.63 5.37 0.00 1.76 1.65 0.91 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.35 4.92 0.00 1.83 1.57 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.48 7.81 53 Y 8.64 5.28 0.00 3.02 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 54 V 9.02 4.85 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 0.70 0.00 0.00 0.96 0.00 0.00 55 C 8.60 5.74 0.00 3.03 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 56 C 8.69 4.65 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.47 0.00 3.89 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 58 T 7.58 4.50 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 59 D 8.48 4.68 0.00 2.67 2.94 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 60 K 8.08 3.86 0.00 1.74 1.94 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.30 7.81 61 C 8.02 4.37 0.00 3.01 3.16 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 62 N 8.20 4.42 0.00 2.65 2.60 0.00 0.00 5.45 7.57 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