#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjp s ILE 2 N 0.00 1.43 -0.10 0.52 1.01 -1.26 -1.82 121.20 120.98 1bjp s ILE 2 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1bjp s ILE 2 Cb 0.00 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 1bjp s ILE 2 CO 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 174.94 175.12 1bjp s ALA 3 N 0.70 2.17 -0.17 9.38 0.00 -0.27 -5.00 121.76 128.57 1bjp s ALA 3 Ca -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1bjp s ALA 3 Cb -0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1bjp s ALA 3 CO 0.03 0.29 -0.08 -1.14 0.00 0.00 0.00 175.76 174.86 1bjp s GLN 4 N 0.34 3.42 -0.17 0.00 0.74 -1.26 -0.45 119.66 122.28 1bjp s GLN 4 Ca -0.19 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.60 1bjp s GLN 4 Cb -0.18 -2.83 0.01 0.00 1.10 0.00 0.00 33.01 31.12 1bjp s GLN 4 CO 0.09 0.05 -0.20 0.42 -0.55 0.00 0.00 175.29 175.10 1bjp s ILE 5 N 0.82 2.13 -0.24 -2.34 1.01 0.41 -4.97 121.20 118.02 1bjp s ILE 5 Ca -0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 1bjp s ILE 5 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1bjp s ILE 5 CO 0.01 0.54 0.38 -1.00 0.00 0.00 0.00 174.94 174.87 1bjp s HIS 6 N 1.13 3.30 0.08 3.97 3.76 -1.26 -0.36 115.29 125.90 1bjp s HIS 6 Ca 0.01 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.44 1bjp s HIS 6 Cb -0.14 -2.55 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 1bjp s HIS 6 CO -0.09 -0.14 -0.09 0.96 -0.85 0.00 0.00 174.74 174.54 1bjp s ILE 7 N 1.77 0.77 0.43 0.60 -4.36 -0.57 -4.98 121.20 114.86 1bjp s ILE 7 Ca 0.16 -1.57 -0.24 0.00 -0.26 0.00 0.00 60.65 58.75 1bjp s ILE 7 Cb -0.15 -1.24 -0.08 0.00 1.25 0.00 0.00 42.46 42.23 1bjp s ILE 7 CO 0.09 -0.59 1.15 -0.76 0.24 0.00 0.00 174.94 175.07 1bjp s LEU 8 N -2.37 4.10 0.72 0.37 1.43 -1.26 -0.88 118.68 120.79 1bjp s LEU 8 Ca 0.03 2.29 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 1bjp s LEU 8 Cb -0.03 -4.15 0.04 0.00 0.03 0.00 0.00 46.19 42.08 1bjp s LEU 8 CO -0.01 -0.77 1.24 -1.83 0.23 0.00 0.00 176.35 175.21 1bjp s GLU 9 N -2.52 2.12 0.00 1.70 -1.05 0.56 -4.39 118.70 115.12 1bjp s GLU 9 Ca 0.60 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 57.30 1bjp s GLU 9 Cb -0.29 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1bjp s GLU 9 CO 0.35 -1.88 0.00 0.41 0.95 0.00 0.00 175.26 175.09 1bjp n GLY 10 N 0.63 1.89 3.71 -3.83 0.00 -1.26 -4.96 105.19 101.37 1bjp n GLY 10 Ca 0.14 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1bjp n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjp s ARG 11 N 0.00 1.57 0.62 1.61 3.00 -1.26 -5.01 118.95 119.47 1bjp s ARG 11 Ca 0.00 1.42 -0.06 0.00 0.00 0.00 0.00 55.73 57.09 1bjp s ARG 11 Cb 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 34.95 33.17 1bjp s ARG 11 CO 0.00 -2.20 0.94 -1.54 0.00 0.00 0.00 175.30 172.50 1bjp s SER 12 N -2.89 5.40 0.49 0.23 1.04 -1.26 -4.94 113.70 111.77 1bjp s SER 12 Ca 0.65 0.68 0.22 0.00 0.48 0.00 0.00 55.95 57.98 1bjp s SER 12 Cb -0.21 -1.58 1.27 0.00 0.10 0.00 0.00 66.02 65.61 1bjp s SER 12 CO 0.56 -1.21 2.04 0.44 0.98 0.00 0.00 173.24 176.05 1bjp h ASP 13 N -0.31 0.00 -0.17 7.02 3.32 -1.99 -2.35 116.42 121.95 1bjp h ASP 13 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 1bjp h ASP 13 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1bjp h ASP 13 CO 0.61 0.15 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.78 1bjp h GLU 14 N 0.00 0.41 -0.41 3.56 3.07 -1.99 -1.43 114.58 117.79 1bjp h GLU 14 Ca -0.00 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.60 1bjp h GLU 14 Cb 0.32 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1bjp h GLU 14 CO 0.02 0.77 0.04 1.96 -1.40 0.00 0.00 179.01 180.41 1bjp h GLN 15 N 0.06 0.64 -0.09 2.33 4.20 -1.83 -1.42 115.11 119.00 1bjp h GLN 15 Ca 0.03 -0.13 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 1bjp h GLN 15 Cb 0.69 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1bjp h GLN 15 CO 0.04 0.63 -0.72 0.87 -0.67 0.00 0.00 178.83 178.98 1bjp h LYS 16 N 0.61 0.44 -0.46 1.46 1.57 -1.36 0.50 116.57 119.33 1bjp h LYS 16 Ca 0.13 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1bjp h LYS 16 Cb 0.32 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1bjp h LYS 16 CO 0.01 0.98 0.18 1.49 -0.57 0.00 0.00 179.45 181.54 1bjp h GLU 17 N 0.30 0.69 -0.57 3.15 4.81 -0.93 -0.20 114.58 121.84 1bjp h GLU 17 Ca -0.03 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1bjp h GLU 17 Cb 1.29 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1bjp h GLU 17 CO 0.13 0.64 0.09 1.15 -0.73 0.00 0.00 179.01 180.28 1bjp h THR 18 N 0.60 1.26 -0.05 0.32 2.02 -1.07 -1.66 112.91 114.33 1bjp h THR 18 Ca 0.15 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.39 1bjp h THR 18 Cb 0.21 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1bjp h THR 18 CO -0.01 0.36 -0.18 0.25 0.37 0.00 0.00 175.52 176.31 1bjp h LEU 19 N 0.84 -0.53 -0.82 2.58 5.85 -0.32 0.25 115.31 123.16 1bjp h LEU 19 Ca 0.17 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1bjp h LEU 19 Cb 0.42 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1bjp h LEU 19 CO 0.01 -0.23 0.51 0.40 -0.34 0.00 0.00 178.44 178.79 1bjp h ILE 20 N -0.26 1.08 -0.10 4.05 2.04 -0.89 -0.13 117.51 123.29 1bjp h ILE 20 Ca 0.07 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1bjp h ILE 20 Cb 0.36 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1bjp h ILE 20 CO -0.20 0.18 -0.08 -0.09 0.00 0.00 0.00 178.15 177.95 1bjp h ARG 21 N 0.97 0.23 -0.51 2.37 2.43 -0.78 -2.15 114.38 116.93 1bjp h ARG 21 Ca 0.34 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1bjp h ARG 21 Cb 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1bjp h ARG 21 CO -0.14 0.63 0.05 0.93 -1.51 0.00 0.00 179.97 179.93 1bjp h GLU 22 N -0.17 0.86 -0.21 0.20 4.39 -0.35 -2.42 114.58 116.87 1bjp h GLU 22 Ca 0.02 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 1bjp h GLU 22 Cb 0.58 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1bjp h GLU 22 CO 0.02 0.86 -0.43 0.28 -1.16 0.00 0.00 179.01 178.59 1bjp h VAL 23 N 0.73 1.31 -0.18 3.13 2.07 -1.10 -1.76 116.25 120.45 1bjp h VAL 23 Ca 0.15 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1bjp h VAL 23 Cb 0.44 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1bjp h VAL 23 CO 0.02 0.50 0.08 0.28 0.02 0.00 0.00 177.57 178.46 1bjp h SER 24 N 0.42 0.25 -0.46 0.57 0.02 -1.17 -0.73 113.55 112.45 1bjp h SER 24 Ca 0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1bjp h SER 24 Cb 0.92 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1bjp h SER 24 CO 0.08 0.33 0.24 -0.33 -1.14 0.00 0.00 176.83 176.00 1bjp h GLU 25 N 0.15 0.66 -0.59 3.45 4.39 -1.46 -0.69 114.58 120.50 1bjp h GLU 25 Ca 0.06 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.74 1bjp h GLU 25 Cb 0.15 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1bjp h GLU 25 CO -0.01 0.54 0.29 0.00 -1.16 0.00 0.00 179.01 178.67 1bjp h ALA 26 N 1.08 0.77 -0.24 3.43 0.00 -0.99 0.14 119.26 123.45 1bjp h ALA 26 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1bjp h ALA 26 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bjp h ALA 26 CO -0.02 -0.08 0.04 0.82 0.00 0.00 0.00 179.25 180.01 1bjp h ILE 27 N 0.53 1.23 -0.10 0.00 2.04 -0.88 -1.53 117.51 118.80 1bjp h ILE 27 Ca 0.28 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1bjp h ILE 27 Cb 0.23 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1bjp h ILE 27 CO -0.21 0.24 -0.08 -1.28 0.00 0.00 0.00 178.15 176.82 1bjp h SER 28 N 0.21 -0.24 -0.15 1.72 0.87 -0.40 -0.82 113.55 114.74 1bjp h SER 28 Ca 0.07 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1bjp h SER 28 Cb 0.33 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1bjp h SER 28 CO 0.00 -0.10 0.05 0.03 -0.53 0.00 0.00 176.83 176.28 1bjp h ARG 29 N -0.09 0.23 -0.78 2.24 3.08 -0.75 0.23 114.38 118.54 1bjp h ARG 29 Ca 0.07 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1bjp h ARG 29 Cb 0.18 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1bjp h ARG 29 CO -0.15 0.35 0.49 0.77 -1.07 0.00 0.00 179.97 180.36 1bjp h SER 30 N 0.06 0.79 -0.01 7.04 0.02 -1.08 -2.97 113.55 117.40 1bjp h SER 30 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1bjp h SER 30 Cb 0.22 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1bjp h SER 30 CO -0.00 0.53 -0.46 0.18 -1.14 0.00 0.00 176.83 175.94 1bjp n LEU 31 N -4.63 1.73 -3.33 5.07 4.77 -0.33 -4.97 117.00 115.31 1bjp n LEU 31 Ca 0.10 -0.73 -0.16 0.00 -0.03 0.00 0.00 56.01 55.19 1bjp n LEU 31 Cb 0.12 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1bjp n LEU 31 CO 0.32 0.33 0.06 -0.67 -1.33 0.00 0.00 177.39 176.11 1bjp n ASP 32 N -0.22 -4.76 -4.35 -1.43 -0.08 0.69 -5.00 116.55 101.39 1bjp n ASP 32 Ca 0.07 -0.67 -0.28 0.00 -1.51 0.00 0.00 54.79 52.40 1bjp n ASP 32 Cb 0.39 -5.17 -0.13 0.00 2.34 0.00 0.00 41.12 38.55 1bjp n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bjp s ALA 33 N -3.38 2.20 0.16 -1.67 0.00 -0.50 -5.04 121.76 113.54 1bjp s ALA 33 Ca 0.27 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 1bjp s ALA 33 Cb -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 1bjp s ALA 33 CO 0.74 0.49 1.76 -1.25 0.00 0.00 0.00 175.76 177.49 1bjp s PRO 34 N -1.87 4.14 0.56 0.00 0.04 -1.26 -4.57 135.00 132.04 1bjp s PRO 34 Ca 0.12 2.58 0.31 0.00 0.04 0.00 0.00 61.00 64.05 1bjp s PRO 34 Cb -0.10 -3.32 1.47 0.00 0.04 0.00 0.00 34.50 32.58 1bjp s PRO 34 CO 0.05 -0.78 1.84 1.25 0.04 0.00 0.00 177.00 179.40 1bjp h LEU 35 N 7.65 0.00 -0.13 -3.56 5.85 -1.92 -1.15 115.31 122.06 1bjp h LEU 35 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1bjp h LEU 35 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1bjp h LEU 35 CO 0.95 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.40 1bjp n THR 36 N -4.02 0.70 1.12 1.05 -2.24 -1.26 -2.76 114.28 106.86 1bjp n THR 36 Ca 0.17 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1bjp n THR 36 Cb 0.96 -0.88 0.18 0.00 -2.10 0.00 0.00 70.33 68.49 1bjp n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bjp n SER 37 N -1.70 1.60 -4.65 3.42 3.41 -0.43 -4.91 113.62 110.35 1bjp n SER 37 Ca 0.04 -1.25 -0.41 0.00 -0.26 0.00 0.00 58.87 56.99 1bjp n SER 37 Cb 0.24 0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1bjp n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bjp s VAL 38 N -2.47 4.90 -0.09 -3.33 1.01 -1.11 -3.63 120.40 115.69 1bjp s VAL 38 Ca 0.22 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1bjp s VAL 38 Cb 0.19 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1bjp s VAL 38 CO 0.54 0.00 -0.08 -0.13 0.00 0.00 0.00 175.10 175.43 1bjp s ARG 39 N 2.41 3.00 -0.07 2.72 0.52 -0.76 -5.03 118.95 121.74 1bjp s ARG 39 Ca 0.33 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1bjp s ARG 39 Cb -0.16 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.69 1bjp s ARG 39 CO 0.09 0.51 -0.12 0.08 0.02 0.00 0.00 175.30 175.88 1bjp s VAL 40 N -0.39 1.14 -0.15 3.52 1.01 -1.26 -1.12 120.40 123.16 1bjp s VAL 40 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1bjp s VAL 40 Cb -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1bjp s VAL 40 CO 0.02 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 1bjp s ILE 41 N 0.76 2.81 -0.24 2.22 1.01 0.40 -4.97 121.20 123.19 1bjp s ILE 41 Ca -0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1bjp s ILE 41 Cb -0.16 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1bjp s ILE 41 CO 0.03 0.51 0.08 -0.63 0.00 0.00 0.00 174.94 174.93 1bjp s ILE 42 N 0.68 4.47 -0.23 2.92 1.01 -1.26 -0.44 121.20 128.35 1bjp s ILE 42 Ca -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1bjp s ILE 42 Cb -0.16 -3.08 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 1bjp s ILE 42 CO 0.02 0.36 -0.04 -0.89 0.00 0.00 0.00 174.94 174.38 1bjp s THR 43 N 1.38 3.30 -0.09 2.92 2.01 0.51 -4.94 115.64 120.72 1bjp s THR 43 Ca 0.05 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 1bjp s THR 43 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1bjp s THR 43 CO 0.04 0.39 0.48 -1.61 -0.69 0.00 0.00 174.62 173.23 1bjp s GLU 44 N 1.46 4.29 -0.12 4.92 2.02 -1.26 -1.51 118.70 128.50 1bjp s GLU 44 Ca 0.05 0.47 -0.05 0.00 0.02 0.00 0.00 54.97 55.46 1bjp s GLU 44 Cb -0.15 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1bjp s GLU 44 CO -0.04 0.24 0.08 -1.64 0.02 0.00 0.00 175.26 173.92 1bjp s MET 45 N 0.34 3.35 0.36 1.61 -1.94 -0.06 -4.87 119.30 118.09 1bjp s MET 45 Ca 0.26 -0.26 -0.27 0.00 -1.71 0.00 0.00 55.69 53.71 1bjp s MET 45 Cb -0.16 -3.05 -0.09 0.00 2.01 0.00 0.00 34.83 33.54 1bjp s MET 45 CO 0.11 0.68 1.14 0.00 -0.01 0.00 0.00 175.02 176.94 1bjp s ALA 46 N -0.77 3.26 0.55 3.03 0.00 -1.26 -0.32 121.76 126.25 1bjp s ALA 46 Ca 0.13 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.28 1bjp s ALA 46 Cb -0.12 -3.36 1.46 0.00 0.00 0.00 0.00 23.12 21.11 1bjp s ALA 46 CO 0.03 -0.38 2.02 0.87 0.00 0.00 0.00 175.76 178.30 1bjp h LYS 47 N 3.05 0.00 -0.16 0.00 1.57 -1.94 0.29 116.57 119.39 1bjp h LYS 47 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1bjp h LYS 47 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1bjp h LYS 47 CO 0.64 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 1bjp n GLY 48 N -1.56 -0.05 0.16 3.86 0.00 -1.26 -2.76 105.19 103.59 1bjp n GLY 48 Ca 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1bjp n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bjp n HIS 49 N 0.04 0.09 -4.75 1.61 8.25 0.10 -4.97 115.22 115.60 1bjp n HIS 49 Ca 0.12 -0.36 -0.26 0.00 -0.26 0.00 0.00 57.72 56.96 1bjp n HIS 49 Cb 0.22 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.14 1bjp n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1bjp s PHE 50 N -0.80 1.67 -0.00 4.41 5.36 -1.20 -4.89 117.98 122.53 1bjp s PHE 50 Ca 0.06 -0.58 0.05 0.00 -0.96 0.00 0.00 56.93 55.50 1bjp s PHE 50 Cb 0.03 -1.17 -0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1bjp s PHE 50 CO 0.04 -0.25 -0.16 0.20 -1.46 0.00 0.00 175.22 173.59 1bjp s GLY 51 N 0.39 0.79 -0.09 13.12 0.00 -1.26 -0.61 107.32 119.65 1bjp s GLY 51 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1bjp s GLY 51 CO 0.04 -0.62 -0.13 -0.42 0.00 0.00 0.00 173.10 171.97 1bjp s ILE 52 N -0.46 1.27 -1.82 0.90 1.09 -0.05 -4.72 121.20 117.41 1bjp s ILE 52 Ca 0.06 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1bjp s ILE 52 Cb -0.06 -1.18 0.00 0.00 -1.06 0.00 0.00 42.46 40.16 1bjp s ILE 52 CO -0.00 0.39 0.00 0.61 -0.10 0.00 0.00 174.94 175.84 1bjp n GLY 53 N 4.15 0.46 1.83 6.18 0.00 -1.26 -1.85 105.19 114.70 1bjp n GLY 53 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1bjp n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjp n GLY 54 N -0.85 2.12 3.84 -0.02 0.00 -1.26 -5.04 105.19 103.98 1bjp n GLY 54 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1bjp n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bjp s GLU 55 N -0.45 3.20 0.53 1.61 2.02 -0.77 -5.03 118.70 119.81 1bjp s GLU 55 Ca 0.00 -0.49 -0.20 0.00 0.02 0.00 0.00 54.97 54.30 1bjp s GLU 55 Cb 0.00 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.25 1bjp s GLU 55 CO 0.00 0.62 1.15 -0.51 0.02 0.00 0.00 175.26 176.54 1bjp s LEU 56 N -2.16 3.80 0.38 1.80 1.43 -1.26 -0.87 118.68 121.80 1bjp s LEU 56 Ca 0.29 2.24 0.16 0.00 -1.03 0.00 0.00 54.13 55.79 1bjp s LEU 56 Cb -0.12 -4.50 0.76 0.00 0.03 0.00 0.00 46.19 42.35 1bjp s LEU 56 CO 0.21 -1.20 1.80 0.00 0.23 0.00 0.00 176.35 177.39 1bjp h ALA 57 N 1.36 1.20 0.00 4.21 0.00 -0.81 -2.36 119.26 122.86 1bjp h ALA 57 Ca -0.50 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1bjp h ALA 57 Cb 1.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bjp h ALA 57 CO 0.57 0.47 -0.16 0.66 0.00 0.00 0.00 179.25 180.80 1bjp h SER 58 N 0.00 0.00 0.76 0.00 4.64 -1.76 0.51 113.55 117.69 1bjp h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bjp h SER 58 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1bjp h SER 58 CO 0.05 0.16 -0.69 0.29 -0.87 0.00 0.00 176.83 175.76 1bjp n LYS 59 N -3.38 0.27 0.00 4.77 5.02 -0.91 -4.47 118.16 119.45 1bjp n LYS 59 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1bjp n LYS 59 Cb 0.35 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1bjp n LYS 59 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1bjp n VAL 60 N -2.04 0.15 -3.98 -0.18 3.14 -0.67 -5.02 118.33 109.73 1bjp n VAL 60 Ca 0.03 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 61.03 1bjp n VAL 60 Cb 0.43 1.30 -0.08 0.00 -1.06 0.00 0.00 33.84 34.43 1bjp n VAL 60 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bjp s ARG 61 N -0.15 1.07 0.00 1.45 1.81 0.17 -5.02 118.95 118.28 1bjp s ARG 61 Ca 0.00 -1.19 0.09 0.00 -1.72 0.00 0.00 55.73 52.91 1bjp s ARG 61 Cb 0.00 0.35 0.54 0.00 -0.45 0.00 0.00 34.95 35.39 1bjp s ARG 61 CO 0.00 -0.37 0.99 -2.13 -0.68 0.00 0.00 175.30 173.11