#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg7 s SER 2 N 0.00 2.63 1.23 7.83 0.01 -1.26 -5.10 113.70 119.04 2kg7 s SER 2 Ca 0.00 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 2kg7 s SER 2 Cb 0.00 -0.15 0.30 0.00 0.21 0.00 0.00 66.02 66.38 2kg7 s SER 2 CO 0.00 0.06 1.02 -0.76 0.41 0.00 0.00 173.24 173.97 2kg7 s LEU 3 N -2.01 0.30 0.22 2.44 1.02 -1.26 -4.82 118.68 114.57 2kg7 s LEU 3 Ca 0.08 1.11 -0.31 0.00 0.02 0.00 0.00 54.13 55.03 2kg7 s LEU 3 Cb -0.10 -2.88 -0.11 0.00 0.02 0.00 0.00 46.19 43.13 2kg7 s LEU 3 CO 0.05 -4.40 1.58 -0.22 0.02 0.00 0.00 176.35 173.37 2kg7 s LEU 4 N -7.26 4.37 -1.31 1.79 0.20 -1.26 -2.06 118.68 113.15 2kg7 s LEU 4 Ca 0.68 2.76 -0.04 0.00 0.69 0.00 0.00 54.13 58.22 2kg7 s LEU 4 Cb -0.18 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 41.99 2kg7 s LEU 4 CO 0.60 -0.85 0.31 0.47 -0.29 0.00 0.00 176.35 176.60 2kg7 n ASP 5 N 3.20 -4.51 -0.08 3.68 9.92 -1.26 -4.83 116.55 122.67 2kg7 n ASP 5 Ca 0.11 -0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 54.12 2kg7 n ASP 5 Cb 0.38 -3.74 -0.07 0.00 -0.64 0.00 0.00 41.12 37.05 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kg7 n ALA 6 N -2.98 1.70 0.27 2.24 0.00 -0.87 -4.52 120.51 116.35 2kg7 n ALA 6 Ca -0.10 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 52.80 2kg7 n ALA 6 Cb 0.59 0.16 0.78 0.00 0.00 0.00 0.00 19.45 20.99 2kg7 n ALA 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kg7 h HIS 7 N -0.07 0.00 -4.14 0.00 6.17 -1.88 -3.43 115.15 111.80 2kg7 h HIS 7 Ca -0.35 0.00 -0.48 0.00 0.71 0.00 0.00 60.37 60.24 2kg7 h HIS 7 Cb 1.52 0.00 0.05 0.00 2.52 0.00 0.00 27.41 31.50 2kg7 h HIS 7 CO 0.01 0.00 0.38 0.96 0.71 0.00 0.00 177.93 179.99 2kg7 s ILE 8 N -4.84 3.76 -1.10 6.26 -4.36 -1.26 -4.92 121.20 114.73 2kg7 s ILE 8 Ca -0.05 0.95 -0.23 0.00 -0.26 0.00 0.00 60.65 61.06 2kg7 s ILE 8 Cb 0.16 -3.40 -0.07 0.00 1.25 0.00 0.00 42.46 40.40 2kg7 s ILE 8 CO 0.61 -0.38 1.94 -2.16 0.24 0.00 0.00 174.94 175.19 2kg7 s PRO 9 N -3.69 2.52 0.04 0.37 0.04 -1.26 -4.93 135.00 128.09 2kg7 s PRO 9 Ca 0.66 -0.91 0.05 0.00 0.04 0.00 0.00 61.00 60.83 2kg7 s PRO 9 Cb -0.17 -5.19 -0.04 0.00 0.04 0.00 0.00 34.50 29.15 2kg7 s PRO 9 CO 0.30 -3.79 -0.08 -1.14 0.04 0.00 0.00 177.00 172.32 2kg7 s GLN 10 N 6.62 2.40 -1.82 4.56 2.00 -1.26 -4.51 119.66 127.64 2kg7 s GLN 10 Ca 0.69 -0.83 0.00 0.00 -2.00 0.00 0.00 55.36 53.22 2kg7 s GLN 10 Cb -0.03 -2.42 0.00 0.00 0.80 0.00 0.00 33.01 31.36 2kg7 s GLN 10 CO 0.09 0.57 0.00 1.28 -0.50 0.00 0.00 175.29 176.73 2kg7 n LEU 11 N 1.28 -1.35 -4.73 3.68 4.32 -1.26 -4.94 117.00 114.01 2kg7 n LEU 11 Ca -0.15 0.38 -0.42 0.00 -0.02 0.00 0.00 56.01 55.81 2kg7 n LEU 11 Cb 0.52 -2.50 -0.03 0.00 -1.62 0.00 0.00 43.42 39.79 2kg7 n LEU 11 CO 0.31 -0.83 1.00 -0.69 -1.22 0.00 0.00 177.39 175.96 2kg7 s VAL 12 N -2.68 3.30 -1.46 4.08 1.01 -1.26 -3.13 120.40 120.26 2kg7 s VAL 12 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 2kg7 s VAL 12 Cb 0.00 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.78 2kg7 s VAL 12 CO 0.00 0.13 0.80 0.00 0.00 0.00 0.00 175.10 176.03 2kg7 n ALA 13 N 3.08 -1.62 0.08 5.51 0.00 -1.26 -4.75 120.51 121.56 2kg7 n ALA 13 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2kg7 n ALA 13 Cb 0.43 -3.19 0.58 0.00 0.00 0.00 0.00 19.45 17.27 2kg7 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kg7 h SER 14 N -1.94 0.17 -0.79 0.00 0.87 -1.96 -1.19 113.55 108.70 2kg7 h SER 14 Ca -0.60 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 59.99 2kg7 h SER 14 Cb 1.37 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 2kg7 h SER 14 CO 0.64 0.11 0.52 1.56 -0.53 0.00 0.00 176.83 179.13 2kg7 h GLN 15 N 0.19 0.96 -4.06 2.24 4.20 -1.90 -3.34 115.11 113.40 2kg7 h GLN 15 Ca 0.14 -0.06 -0.75 0.00 0.06 0.00 0.00 58.65 58.04 2kg7 h GLN 15 Cb 0.33 -0.22 -0.27 0.00 0.30 0.00 0.00 27.48 27.63 2kg7 h GLN 15 CO -0.02 0.64 -0.21 -1.54 -0.67 0.00 0.00 178.83 177.02 2kg7 s SER 16 N -6.24 6.10 0.59 1.46 1.04 -0.45 -4.91 113.70 111.29 2kg7 s SER 16 Ca -0.11 -2.10 0.29 0.00 0.48 0.00 0.00 55.95 54.51 2kg7 s SER 16 Cb 0.19 -2.12 1.73 0.00 0.10 0.00 0.00 66.02 65.91 2kg7 s SER 16 CO 0.79 -0.71 2.17 0.00 0.98 0.00 0.00 173.24 176.46 2kg7 h ALA 17 N 8.39 1.67 -0.24 5.32 0.00 -1.76 -2.50 119.26 130.14 2kg7 h ALA 17 Ca -0.17 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2kg7 h ALA 17 Cb 1.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2kg7 h ALA 17 CO 0.90 -0.16 -0.17 0.35 0.00 0.00 0.00 179.25 180.18 2kg7 h PHE 18 N 0.00 -0.42 -0.88 0.00 3.04 -1.90 -1.40 116.94 115.38 2kg7 h PHE 18 Ca 0.04 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 2kg7 h PHE 18 Cb 0.26 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 2kg7 h PHE 18 CO 0.00 -0.24 0.55 0.00 -2.02 0.00 0.00 178.31 176.60 2kg7 h ALA 19 N 1.00 1.31 -0.79 2.41 0.00 -1.71 -1.97 119.26 119.49 2kg7 h ALA 19 Ca 0.14 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2kg7 h ALA 19 Cb 0.36 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2kg7 h ALA 19 CO -0.34 0.61 0.52 0.00 0.00 0.00 0.00 179.25 180.05 2kg7 h ALA 20 N 1.39 1.93 0.03 0.00 0.00 -1.30 -0.84 119.26 120.47 2kg7 h ALA 20 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 2kg7 h ALA 20 Cb -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kg7 h ALA 20 CO -0.06 -0.13 -1.03 0.87 0.00 0.00 0.00 179.25 178.90 2kg7 h LYS 21 N 0.58 0.46 -0.99 0.00 1.57 -0.90 -3.03 116.57 114.26 2kg7 h LYS 21 Ca 0.39 -0.53 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2kg7 h LYS 21 Cb 0.69 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 2kg7 h LYS 21 CO -0.15 1.18 0.64 0.00 -0.57 0.00 0.00 179.45 180.56 2kg7 h ALA 22 N 0.63 1.33 -0.27 3.86 0.00 -0.72 -1.58 119.26 122.50 2kg7 h ALA 22 Ca -0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2kg7 h ALA 22 Cb 1.68 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kg7 h ALA 22 CO 0.18 0.51 -0.54 0.78 0.00 0.00 0.00 179.25 180.18 2kg7 h GLY 23 N 1.22 0.93 2.00 0.00 0.00 -1.44 -3.05 103.07 102.73 2kg7 h GLY 23 Ca 0.40 -1.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 2kg7 h GLY 23 CO -0.14 0.99 -0.14 -2.00 0.00 0.00 0.00 176.54 175.25 2kg7 h LEU 24 N 0.62 0.00 0.73 3.11 6.46 -1.33 -3.00 115.31 121.90 2kg7 h LEU 24 Ca 0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 2kg7 h LEU 24 Cb 1.15 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2kg7 h LEU 24 CO 0.12 0.14 -0.35 -0.03 -0.62 0.00 0.00 178.44 177.70 2kg7 h MET 25 N 0.00 -0.94 -0.26 1.25 4.05 -1.19 -2.65 114.93 115.19 2kg7 h MET 25 Ca -0.00 0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.56 2kg7 h MET 25 Cb 0.33 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2kg7 h MET 25 CO 0.02 -0.60 0.27 0.00 0.23 0.00 0.00 176.91 176.83 2kg7 h ARG 26 N -1.13 0.00 -0.08 0.39 2.47 -1.57 0.14 114.38 114.59 2kg7 h ARG 26 Ca -0.10 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.50 2kg7 h ARG 26 Cb 0.77 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2kg7 h ARG 26 CO 0.16 0.00 -0.48 1.25 0.56 0.00 0.00 179.97 181.46 2kg7 h HIS 27 N 0.00 0.25 -0.31 3.04 2.76 -1.35 -0.89 115.15 118.66 2kg7 h HIS 27 Ca 0.13 -0.08 -0.14 0.00 -2.20 0.00 0.00 60.37 58.08 2kg7 h HIS 27 Cb 0.67 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 2kg7 h HIS 27 CO 0.00 0.66 -0.34 1.15 -1.30 0.00 0.00 177.93 178.09 2kg7 h THR 28 N 0.17 1.29 -0.06 6.26 2.02 -0.39 -2.40 112.91 119.80 2kg7 h THR 28 Ca 0.01 -1.52 -0.08 0.00 0.77 0.00 0.00 66.41 65.59 2kg7 h THR 28 Cb 0.92 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2kg7 h THR 28 CO 0.07 0.49 -0.26 0.40 0.37 0.00 0.00 175.52 176.60 2kg7 h ILE 29 N 0.54 1.43 -0.52 3.11 5.03 -1.46 -0.99 117.51 124.65 2kg7 h ILE 29 Ca 0.04 -1.67 0.06 0.00 -0.12 0.00 0.00 64.86 63.18 2kg7 h ILE 29 Cb 0.93 2.33 -0.05 0.00 -3.03 0.00 0.00 36.82 37.00 2kg7 h ILE 29 CO 0.08 0.47 0.22 1.23 -0.68 0.00 0.00 178.15 179.48 2kg7 h GLY 30 N -0.22 0.71 1.02 5.37 0.00 -1.22 0.25 103.07 108.98 2kg7 h GLY 30 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 2kg7 h GLY 30 CO 0.05 0.05 -0.59 1.46 0.00 0.00 0.00 176.54 177.51 2kg7 h GLN 31 N 0.43 0.67 0.00 4.80 1.08 -1.50 -2.94 115.11 117.65 2kg7 h GLN 31 Ca 0.24 -0.52 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 2kg7 h GLN 31 Cb 0.22 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2kg7 h GLN 31 CO -0.21 1.14 -0.15 0.00 -0.95 0.00 0.00 178.83 178.65 2kg7 h ALA 32 N 0.54 1.53 -0.07 3.87 0.00 -0.83 -2.82 119.26 121.49 2kg7 h ALA 32 Ca -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kg7 h ALA 32 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kg7 h ALA 32 CO 0.12 0.19 -0.20 0.93 0.00 0.00 0.00 179.25 180.30 2kg7 h GLU 33 N 0.00 0.26 -0.86 0.00 4.39 -0.45 -3.16 114.58 114.77 2kg7 h GLU 33 Ca -0.00 -0.18 0.20 0.00 0.34 0.00 0.00 59.36 59.72 2kg7 h GLU 33 Cb 0.31 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 2kg7 h GLU 33 CO 0.02 0.80 0.58 0.37 -1.16 0.00 0.00 179.01 179.62 2kg7 h GLN 34 N -0.22 0.31 -0.48 2.33 5.75 -1.32 -0.93 115.11 120.55 2kg7 h GLN 34 Ca -0.00 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2kg7 h GLN 34 Cb 0.80 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.21 2kg7 h GLN 34 CO 0.04 0.21 0.05 0.00 -2.65 0.00 0.00 178.83 176.48 2kg7 h ALA 35 N 1.61 0.50 -0.63 3.38 0.00 -1.50 0.11 119.26 122.73 2kg7 h ALA 35 Ca 0.44 0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.65 2kg7 h ALA 35 Cb 1.21 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2kg7 h ALA 35 CO -0.14 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.26 2kg7 h ALA 36 N 1.40 2.52 0.10 0.00 0.00 -1.28 -1.05 119.26 120.94 2kg7 h ALA 36 Ca 0.24 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 2kg7 h ALA 36 Cb 0.34 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kg7 h ALA 36 CO -0.35 -0.82 -0.85 0.52 0.00 0.00 0.00 179.25 177.74 2kg7 h MET 37 N 0.00 0.21 -0.23 0.00 2.07 -0.91 -3.16 114.93 112.91 2kg7 h MET 37 Ca 0.30 -0.35 0.06 0.00 -2.07 0.00 0.00 59.70 57.63 2kg7 h MET 37 Cb 1.29 0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 31.09 2kg7 h MET 37 CO -0.00 1.17 -0.21 0.77 1.07 0.00 0.00 176.91 179.70 2kg7 h SER 38 N -0.52 -0.69 0.15 1.22 0.02 0.05 0.12 113.55 113.90 2kg7 h SER 38 Ca -0.17 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2kg7 h SER 38 Cb 1.53 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 2kg7 h SER 38 CO 0.07 -0.26 -0.08 0.00 -1.14 0.00 0.00 176.83 175.43 2kg7 h ALA 39 N 0.85 1.56 -0.00 3.77 0.00 -1.51 -0.14 119.26 123.78 2kg7 h ALA 39 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kg7 h ALA 39 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kg7 h ALA 39 CO -0.36 0.10 -0.18 0.94 0.00 0.00 0.00 179.25 179.75 2kg7 n GLN 40 N -3.99 0.42 0.29 0.00 7.27 0.18 -3.78 117.38 117.76 2kg7 n GLN 40 Ca -0.03 -0.15 0.19 0.00 0.07 0.00 0.00 57.00 57.08 2kg7 n GLN 40 Cb 0.17 -1.50 0.99 0.00 2.41 0.00 0.00 30.24 32.31 2kg7 n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kg7 h ALA 41 N 3.37 1.38 -0.83 1.69 0.00 0.10 -1.65 119.26 123.31 2kg7 h ALA 41 Ca 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.14 2kg7 h ALA 41 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2kg7 h ALA 41 CO 0.00 -0.14 0.59 0.27 0.00 0.00 0.00 179.25 179.97 2kg7 h PHE 42 N 0.00 0.04 -0.52 0.00 -0.00 -1.75 -3.34 116.94 111.37 2kg7 h PHE 42 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.90 2kg7 h PHE 42 Cb 0.26 -0.01 -0.15 0.00 -0.00 0.00 0.00 35.95 36.04 2kg7 h PHE 42 CO 0.00 0.01 -0.33 1.58 -0.00 0.00 0.00 178.31 179.57 2kg7 n HIS 43 N -4.31 -2.44 -2.36 6.09 -0.00 -0.63 -5.14 115.22 106.43 2kg7 n HIS 43 Ca 0.17 -1.11 -0.42 0.00 -0.00 0.00 0.00 57.72 56.36 2kg7 n HIS 43 Cb 0.88 1.33 -0.03 0.00 -0.00 0.00 0.00 29.99 32.17 2kg7 n HIS 43 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2kg7 s GLN 44 N 0.83 4.40 0.00 1.57 -0.21 -1.17 -4.12 119.66 120.96 2kg7 s GLN 44 Ca 0.28 1.84 0.00 0.00 0.02 0.00 0.00 55.36 57.49 2kg7 s GLN 44 Cb 0.09 -3.34 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2kg7 s GLN 44 CO -0.09 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.17 2kg7 n GLY 45 N 3.30 0.81 3.18 3.09 0.00 -1.26 -5.13 105.19 109.18 2kg7 n GLY 45 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2kg7 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kg7 s GLU 46 N 0.00 1.52 -0.08 1.61 2.12 -1.26 -5.13 118.70 117.48 2kg7 s GLU 46 Ca 0.00 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2kg7 s GLU 46 Cb 0.00 -1.46 0.03 0.00 0.26 0.00 0.00 34.13 32.96 2kg7 s GLU 46 CO 0.00 0.39 -0.00 0.45 -0.54 0.00 0.00 175.26 175.56 2kg7 s SER 47 N -0.41 1.66 0.33 -1.70 0.15 -1.26 -5.09 113.70 107.37 2kg7 s SER 47 Ca 0.07 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 2kg7 s SER 47 Cb -0.07 -0.47 -0.11 0.00 -1.71 0.00 0.00 66.02 63.66 2kg7 s SER 47 CO -0.01 -0.19 1.45 -0.44 1.20 0.00 0.00 173.24 175.25 2kg7 s SER 48 N 1.95 6.51 0.28 5.45 0.01 -1.26 -4.90 113.70 121.75 2kg7 s SER 48 Ca 0.05 2.87 0.01 0.00 1.31 0.00 0.00 55.95 60.19 2kg7 s SER 48 Cb -0.12 -2.65 0.55 0.00 0.21 0.00 0.00 66.02 64.01 2kg7 s SER 48 CO -0.06 -0.76 1.83 0.00 0.41 0.00 0.00 173.24 174.66 2kg7 h ALA 49 N 3.75 1.49 -0.30 1.44 0.00 -2.00 -1.71 119.26 121.94 2kg7 h ALA 49 Ca -0.49 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2kg7 h ALA 49 Cb 1.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kg7 h ALA 49 CO 0.69 0.19 0.13 0.00 0.00 0.00 0.00 179.25 180.26 2kg7 h ALA 50 N 1.54 0.38 -0.65 0.00 0.00 -2.00 -2.20 119.26 116.34 2kg7 h ALA 50 Ca 0.49 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.39 2kg7 h ALA 50 Cb 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kg7 h ALA 50 CO -0.27 -0.04 0.43 0.35 0.00 0.00 0.00 179.25 179.72 2kg7 h PHE 51 N 0.33 0.51 0.21 0.00 3.57 -1.70 -1.98 116.94 117.88 2kg7 h PHE 51 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2kg7 h PHE 51 Cb 0.15 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2kg7 h PHE 51 CO -0.01 0.24 -0.10 0.37 -2.23 0.00 0.00 178.31 176.58 2kg7 h GLN 52 N 0.48 -0.27 -0.95 1.11 5.75 -1.03 -1.14 115.11 119.07 2kg7 h GLN 52 Ca 0.30 0.02 0.22 0.00 -0.15 0.00 0.00 58.65 59.03 2kg7 h GLN 52 Cb 0.54 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.07 2kg7 h GLN 52 CO -0.09 0.11 0.62 0.00 -2.65 0.00 0.00 178.83 176.82 2kg7 h ALA 53 N -0.16 2.17 0.04 3.38 0.00 -0.97 0.21 119.26 123.93 2kg7 h ALA 53 Ca -0.03 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2kg7 h ALA 53 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kg7 h ALA 53 CO 0.05 -0.49 -1.02 0.00 0.00 0.00 0.00 179.25 177.78 2kg7 h ALA 54 N 1.61 0.34 -0.11 0.00 0.00 -1.34 -3.08 119.26 116.68 2kg7 h ALA 54 Ca 0.51 -0.81 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2kg7 h ALA 54 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kg7 h ALA 54 CO -0.22 0.98 -0.54 1.25 0.00 0.00 0.00 179.25 180.73 2kg7 h HIS 55 N 0.09 0.38 -0.03 0.00 6.17 0.61 -2.99 115.15 119.38 2kg7 h HIS 55 Ca -0.07 -0.13 -0.13 0.00 0.71 0.00 0.00 60.37 60.75 2kg7 h HIS 55 Cb 1.71 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.55 2kg7 h HIS 55 CO 0.04 0.78 -0.56 0.00 0.71 0.00 0.00 177.93 178.90 2kg7 h ALA 56 N 1.20 1.01 -0.52 5.26 0.00 -0.86 -3.09 119.26 122.26 2kg7 h ALA 56 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2kg7 h ALA 56 Cb 1.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kg7 h ALA 56 CO 0.09 0.70 0.22 0.00 0.00 0.00 0.00 179.25 180.25 2kg7 h ARG 57 N 0.08 0.77 0.43 0.00 3.08 -1.43 0.49 114.38 117.80 2kg7 h ARG 57 Ca -0.00 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2kg7 h ARG 57 Cb 1.01 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2kg7 h ARG 57 CO 0.08 0.67 -0.21 0.35 -1.07 0.00 0.00 179.97 179.79 2kg7 h PHE 58 N 0.70 -0.54 -0.22 3.04 3.04 -1.52 0.12 116.94 121.55 2kg7 h PHE 58 Ca 0.17 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2kg7 h PHE 58 Cb 0.17 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 2kg7 h PHE 58 CO 0.00 -0.30 0.07 -0.24 -2.02 0.00 0.00 178.31 175.82 2kg7 h VAL 59 N -0.64 1.10 -0.08 1.41 3.04 -1.49 0.41 116.25 120.00 2kg7 h VAL 59 Ca -0.06 -0.33 -0.14 0.00 -1.01 0.00 0.00 66.70 65.16 2kg7 h VAL 59 Cb 0.48 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2kg7 h VAL 59 CO 0.10 0.12 -0.58 0.00 -1.01 0.00 0.00 177.57 176.19 2kg7 h ALA 60 N 1.78 0.85 0.20 3.17 0.00 -0.60 -3.21 119.26 121.46 2kg7 h ALA 60 Ca 0.08 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.14 2kg7 h ALA 60 Cb 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kg7 h ALA 60 CO -0.01 0.71 -1.39 0.00 0.00 0.00 0.00 179.25 178.57 2kg7 h ALA 61 N 1.19 -0.09 -0.86 0.00 0.00 -0.12 -3.27 119.26 116.11 2kg7 h ALA 61 Ca -0.00 -0.84 0.23 0.00 0.00 0.00 0.00 54.91 54.30 2kg7 h ALA 61 Cb 1.08 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2kg7 h ALA 61 CO 0.09 0.73 0.60 0.00 0.00 0.00 0.00 179.25 180.68 2kg7 h ALA 62 N 0.25 2.65 -0.35 0.00 0.00 -0.96 0.24 119.26 121.10 2kg7 h ALA 62 Ca -0.22 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2kg7 h ALA 62 Cb 2.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2kg7 h ALA 62 CO 0.26 -0.90 0.27 0.00 0.00 0.00 0.00 179.25 178.88 2kg7 h ALA 63 N 1.59 2.25 0.09 0.00 0.00 -1.60 -1.86 119.26 119.72 2kg7 h ALA 63 Ca 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2kg7 h ALA 63 Cb 1.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2kg7 h ALA 63 CO -0.05 -0.45 -0.04 -0.22 0.00 0.00 0.00 179.25 178.49 2kg7 h LYS 64 N 0.00 -0.11 -0.87 0.00 1.63 -0.72 -2.10 116.57 114.40 2kg7 h LYS 64 Ca 0.17 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.11 2kg7 h LYS 64 Cb 0.71 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.30 2kg7 h LYS 64 CO -0.00 0.42 0.56 0.28 -3.45 0.00 0.00 179.45 177.26 2kg7 h VAL 65 N -0.79 0.84 -0.14 2.00 2.07 -1.46 -0.43 116.25 118.34 2kg7 h VAL 65 Ca -0.01 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2kg7 h VAL 65 Cb 0.59 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2kg7 h VAL 65 CO 0.02 0.12 -0.32 -1.13 0.02 0.00 0.00 177.57 176.28 2kg7 h ASN 66 N 0.66 0.53 -0.84 0.57 -1.24 -1.40 -1.55 115.58 112.31 2kg7 h ASN 66 Ca 0.43 -0.57 0.01 0.00 0.71 0.00 0.00 56.30 56.88 2kg7 h ASN 66 Cb 0.71 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2kg7 h ASN 66 CO -0.19 1.00 0.55 0.74 -1.29 0.00 0.00 177.43 178.24 2kg7 h THR 67 N 0.08 1.22 0.00 -3.57 2.02 -0.57 -1.85 112.91 110.23 2kg7 h THR 67 Ca 0.00 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 2kg7 h THR 67 Cb 0.92 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2kg7 h THR 67 CO 0.07 0.21 -0.69 -0.07 0.37 0.00 0.00 175.52 175.41 2kg7 h LEU 68 N 1.14 0.00 -1.00 2.58 3.38 -1.11 -2.68 115.31 117.61 2kg7 h LEU 68 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 2kg7 h LEU 68 Cb -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2kg7 h LEU 68 CO -0.07 0.69 0.18 -0.07 0.09 0.00 0.00 178.44 179.26 2kg7 h LEU 69 N 0.00 0.84 0.18 1.67 3.38 -0.44 0.25 115.31 121.18 2kg7 h LEU 69 Ca -0.01 -0.14 -0.30 0.00 0.09 0.00 0.00 57.88 57.52 2kg7 h LEU 69 Cb 1.35 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.90 2kg7 h LEU 69 CO 0.09 0.79 -1.35 -0.78 0.09 0.00 0.00 178.44 177.29 2kg7 h ASP 70 N 0.87 0.63 0.13 -0.43 1.82 -1.47 -3.17 116.42 114.81 2kg7 h ASP 70 Ca 0.20 -0.67 -0.14 0.00 -0.39 0.00 0.00 57.03 56.03 2kg7 h ASP 70 Cb 0.26 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 2kg7 h ASP 70 CO -0.01 1.52 -0.48 0.58 -1.61 0.00 0.00 179.24 179.24 2kg7 h VAL 71 N 0.11 1.33 0.01 2.25 2.07 -1.27 -0.58 116.25 120.16 2kg7 h VAL 71 Ca -0.19 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 2kg7 h VAL 71 Cb 2.06 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2kg7 h VAL 71 CO 0.24 0.52 -0.00 0.00 0.02 0.00 0.00 177.57 178.34 2kg7 h ALA 72 N 1.16 -0.01 -0.11 1.67 0.00 -0.59 0.24 119.26 121.61 2kg7 h ALA 72 Ca 0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2kg7 h ALA 72 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kg7 h ALA 72 CO 0.08 -0.42 -0.58 1.96 0.00 0.00 0.00 179.25 180.29 2kg7 h GLN 73 N -0.19 0.35 -0.26 0.00 4.20 -1.55 -1.56 115.11 116.11 2kg7 h GLN 73 Ca -0.00 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 2kg7 h GLN 73 Cb 0.18 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2kg7 h GLN 73 CO 0.00 0.84 -0.46 0.00 -0.67 0.00 0.00 178.83 178.54 2kg7 h ALA 74 N 1.11 0.70 -0.10 3.87 0.00 -0.99 0.24 119.26 124.10 2kg7 h ALA 74 Ca -0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2kg7 h ALA 74 Cb 1.10 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kg7 h ALA 74 CO 0.10 0.67 -0.84 -0.91 0.00 0.00 0.00 179.25 178.27 2kg7 h ASN 75 N 0.54 0.91 0.55 0.00 -0.26 -0.47 -3.25 115.58 113.60 2kg7 h ASN 75 Ca 0.03 -0.67 -0.19 0.00 -0.56 0.00 0.00 56.30 54.91 2kg7 h ASN 75 Cb 1.01 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 2kg7 h ASN 75 CO 0.09 1.44 -0.85 -0.07 -1.06 0.00 0.00 177.43 176.98 2kg7 h LEU 76 N 0.45 0.27 0.00 1.61 3.38 -1.28 -3.47 115.31 116.27 2kg7 h LEU 76 Ca -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kg7 h LEU 76 Cb 1.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2kg7 h LEU 76 CO 0.17 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2kg7 n GLY 77 N 0.82 1.49 0.40 0.83 0.00 0.84 -4.44 105.19 105.12 2kg7 n GLY 77 Ca -0.04 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.15 2kg7 n GLY 77 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kg7 h GLU 78 N 0.00 0.42 0.14 1.61 5.08 -1.92 0.58 114.58 120.49 2kg7 h GLU 78 Ca 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kg7 h GLU 78 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2kg7 h GLU 78 CO 0.00 0.28 -0.24 0.00 -1.00 0.00 0.00 179.01 178.04 2kg7 h ALA 79 N 1.61 -0.42 -1.70 3.43 0.00 -1.78 -3.43 119.26 116.97 2kg7 h ALA 79 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2kg7 h ALA 79 Cb 1.15 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2kg7 h ALA 79 CO -0.19 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.28 2kg7 n ALA 80 N -2.56 2.17 0.00 0.00 0.00 -0.61 -4.66 120.51 114.84 2kg7 n ALA 80 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kg7 n ALA 80 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2kg7 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kg7 n GLY 81 N 3.60 0.66 3.69 0.00 0.00 0.10 -5.02 105.19 108.21 2kg7 n GLY 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2kg7 n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kg7 s THR 82 N -1.11 0.00 0.13 2.61 -1.32 -1.26 -5.10 115.64 109.58 2kg7 s THR 82 Ca 0.00 -1.25 -0.16 0.00 -1.21 0.00 0.00 61.69 59.06 2kg7 s THR 82 Cb 0.00 -2.26 0.04 0.00 -1.51 0.00 0.00 72.50 68.77 2kg7 s THR 82 CO 0.00 0.00 0.41 -0.72 -2.21 0.00 0.00 174.62 172.10 2kg7 s TYR 83 N -3.71 -0.20 -0.53 9.09 -0.85 -1.26 -4.26 117.35 115.62 2kg7 s TYR 83 Ca 0.19 -0.12 0.04 0.00 -0.52 0.00 0.00 57.07 56.67 2kg7 s TYR 83 Cb -0.03 0.27 0.17 0.00 0.38 0.00 0.00 41.96 42.75 2kg7 s TYR 83 CO 0.10 -0.72 0.40 0.54 -1.52 0.00 0.00 175.55 174.34 2kg7 s VAL 84 N -3.81 1.45 -1.32 -3.49 0.11 -1.26 -5.00 120.40 107.08 2kg7 s VAL 84 Ca 0.03 -3.32 -0.08 0.00 -2.93 0.00 0.00 61.98 55.68 2kg7 s VAL 84 Cb 0.02 -1.97 -0.08 0.00 -1.53 0.00 0.00 36.38 32.81 2kg7 s VAL 84 CO -0.11 -1.12 2.64 0.00 -3.33 0.00 0.00 175.10 173.17 2kg7 n ALA 85 N 2.52 6.42 -0.05 1.54 0.00 -1.26 -4.05 120.51 125.63 2kg7 n ALA 85 Ca 0.25 -2.89 -0.05 0.00 0.00 0.00 0.00 53.44 50.75 2kg7 n ALA 85 Cb 0.42 -3.21 -0.09 0.00 0.00 0.00 0.00 19.45 16.57 2kg7 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 n ALA 86 N 3.80 1.77 -1.28 0.00 0.00 -1.26 -5.12 120.51 118.41 2kg7 n ALA 86 Ca 0.65 -0.70 0.16 0.00 0.00 0.00 0.00 53.44 53.55 2kg7 n ALA 86 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 2kg7 n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kg7 n ASP 87 N -2.38 -7.46 -3.38 0.00 2.03 -1.26 -5.08 116.55 99.03 2kg7 n ASP 87 Ca -0.17 1.05 -0.00 0.00 0.52 0.00 0.00 54.79 56.18 2kg7 n ASP 87 Cb 0.83 -4.24 0.02 0.00 -0.72 0.00 0.00 41.12 37.00 2kg7 n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kg7 n ALA 88 N -3.53 -2.90 0.24 -1.67 0.00 -1.26 -5.01 120.51 106.38 2kg7 n ALA 88 Ca -0.05 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.60 2kg7 n ALA 88 Cb 0.60 0.37 0.60 0.00 0.00 0.00 0.00 19.45 21.02 2kg7 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 89 N 2.00 1.57 -0.79 0.00 0.00 -1.98 -2.45 119.26 117.61 2kg7 h ALA 89 Ca -0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2kg7 h ALA 89 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2kg7 h ALA 89 CO 0.32 0.19 0.42 0.00 0.00 0.00 0.00 179.25 180.18 2kg7 h ALA 90 N 1.85 1.25 0.39 0.00 0.00 -1.99 -3.11 119.26 117.64 2kg7 h ALA 90 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kg7 h ALA 90 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kg7 h ALA 90 CO 0.02 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 2kg7 h ALA 91 N 1.35 -0.53 -1.71 0.00 0.00 -1.84 -3.40 119.26 113.14 2kg7 h ALA 91 Ca 0.28 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 54.41 2kg7 h ALA 91 Cb 0.05 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 2kg7 h ALA 91 CO -0.04 -0.64 0.68 -1.12 0.00 0.00 0.00 179.25 178.13 2kg7 s SER 92 N -4.94 6.32 0.73 0.00 0.01 -1.17 -5.01 113.70 109.63 2kg7 s SER 92 Ca -0.14 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.60 2kg7 s SER 92 Cb 0.02 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 2kg7 s SER 92 CO 0.53 -1.36 0.80 0.41 0.41 0.00 0.00 173.24 174.03 2kg7 n THR 93 N 6.26 2.34 -4.42 1.44 -1.04 -1.26 -4.81 114.28 112.79 2kg7 n THR 93 Ca 0.02 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.41 2kg7 n THR 93 Cb 0.48 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 67.93 2kg7 n THR 93 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2kg7 s TYR 94 N -1.87 2.36 -0.03 -1.42 1.13 -1.26 -5.12 117.35 111.15 2kg7 s TYR 94 Ca 0.70 -0.32 0.04 0.00 -1.41 0.00 0.00 57.07 56.08 2kg7 s TYR 94 Cb -0.34 -1.07 -0.03 0.00 -1.10 0.00 0.00 41.96 39.41 2kg7 s TYR 94 CO 0.53 0.64 -0.13 0.95 -2.51 0.00 0.00 175.55 175.03 2kg7 s THR 95 N -2.21 3.16 0.00 -3.49 -4.23 -1.26 -5.13 115.64 102.48 2kg7 s THR 95 Ca 0.27 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2kg7 s THR 95 Cb -0.06 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2kg7 s THR 95 CO 0.14 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 2kg7 n GLY 96 N 2.04 1.47 0.00 3.99 0.00 -1.26 -5.36 105.19 106.07 2kg7 n GLY 96 Ca -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2kg7 n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01