#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 1.44 -0.12 0.52 1.01 -1.26 -2.26 121.20 120.53 1bjp s ILE 2 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1bjp s ILE 2 Cb 0.00 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1bjp s ILE 2 CO 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 174.94 175.14 1bjp s ALA 3 N 0.37 2.25 -0.17 9.38 0.00 0.03 -4.99 121.76 128.63 1bjp s ALA 3 Ca -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1bjp s ALA 3 Cb -0.15 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1bjp s ALA 3 CO 0.04 0.15 -0.10 -1.14 0.00 0.00 0.00 175.76 174.71 1bjp s GLN 4 N 0.55 3.36 -0.17 0.00 0.74 -1.26 -0.47 119.66 122.41 1bjp s GLN 4 Ca -0.13 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.62 1bjp s GLN 4 Cb -0.17 -2.77 0.02 0.00 1.10 0.00 0.00 33.01 31.19 1bjp s GLN 4 CO 0.04 0.03 -0.21 0.42 -0.55 0.00 0.00 175.29 175.03 1bjp s ILE 5 N 0.82 2.06 -0.19 -2.34 1.01 0.76 -4.97 121.20 118.37 1bjp s ILE 5 Ca -0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1bjp s ILE 5 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1bjp s ILE 5 CO 0.01 0.54 0.36 -1.00 0.00 0.00 0.00 174.94 174.85 1bjp s HIS 6 N 1.15 3.41 0.05 3.97 3.76 -1.26 -0.35 115.29 126.02 1bjp s HIS 6 Ca 0.02 0.61 0.01 0.00 -0.15 0.00 0.00 55.06 55.54 1bjp s HIS 6 Cb -0.14 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 1bjp s HIS 6 CO -0.10 0.07 -0.05 0.96 -0.85 0.00 0.00 174.74 174.78 1bjp s ILE 7 N 1.01 0.38 0.59 0.60 -4.36 -0.86 -4.98 121.20 113.59 1bjp s ILE 7 Ca 0.18 -1.44 -0.17 0.00 -0.26 0.00 0.00 60.65 58.96 1bjp s ILE 7 Cb -0.14 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.51 1bjp s ILE 7 CO 0.07 -0.70 1.10 -0.76 0.24 0.00 0.00 174.94 174.89 1bjp s LEU 8 N -2.27 3.57 0.70 0.37 1.43 -1.26 -0.60 118.68 120.62 1bjp s LEU 8 Ca -0.02 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 1bjp s LEU 8 Cb -0.01 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1bjp s LEU 8 CO -0.04 -1.34 1.13 -1.83 0.23 0.00 0.00 176.35 174.50 1bjp s GLU 9 N -3.73 2.47 0.00 1.70 -1.05 0.37 -4.44 118.70 114.02 1bjp s GLU 9 Ca 0.68 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1bjp s GLU 9 Cb -0.21 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1bjp s GLU 9 CO 0.34 -1.52 0.00 0.41 0.95 0.00 0.00 175.26 175.44 1bjp n GLY 10 N -0.32 2.46 3.69 -3.83 0.00 -1.26 -4.97 105.19 100.96 1bjp n GLY 10 Ca 0.11 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 1.24 0.56 1.61 3.00 -1.26 -5.03 118.95 119.07 1bjp s ARG 11 Ca 0.00 1.34 -0.05 0.00 0.00 0.00 0.00 55.73 57.02 1bjp s ARG 11 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 34.95 33.18 1bjp s ARG 11 CO 0.00 -2.41 0.86 -1.54 0.00 0.00 0.00 175.30 172.21 1bjp s SER 12 N -2.92 5.72 0.46 0.23 1.04 -1.26 -4.94 113.70 112.04 1bjp s SER 12 Ca 0.65 0.70 0.20 0.00 0.48 0.00 0.00 55.95 57.97 1bjp s SER 12 Cb -0.21 -1.77 1.13 0.00 0.10 0.00 0.00 66.02 65.28 1bjp s SER 12 CO 0.58 -0.95 1.99 0.44 0.98 0.00 0.00 173.24 176.28 1bjp h ASP 13 N -0.05 0.00 -0.28 7.02 3.32 -1.99 -1.78 116.42 122.67 1bjp h ASP 13 Ca -0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 1bjp h ASP 13 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bjp h ASP 13 CO 0.60 0.19 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.59 1bjp h GLU 14 N 0.00 0.75 -0.47 3.56 3.07 -1.99 -0.06 114.58 119.45 1bjp h GLU 14 Ca -0.00 -0.44 -0.10 0.00 -0.50 0.00 0.00 59.36 58.32 1bjp h GLU 14 Cb 0.39 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1bjp h GLU 14 CO 0.02 1.07 -0.12 1.96 -1.40 0.00 0.00 179.01 180.54 1bjp h GLN 15 N 0.50 0.86 -0.51 2.33 4.20 -1.74 -1.52 115.11 119.22 1bjp h GLN 15 Ca 0.03 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.31 1bjp h GLN 15 Cb 0.98 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1bjp h GLN 15 CO 0.09 0.94 -0.17 0.87 -0.67 0.00 0.00 178.83 179.88 1bjp h LYS 16 N 0.77 1.02 -0.54 1.46 1.57 -1.23 0.59 116.57 120.21 1bjp h LYS 16 Ca 0.12 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1bjp h LYS 16 Cb 0.63 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1bjp h LYS 16 CO 0.04 1.10 0.36 1.49 -0.57 0.00 0.00 179.45 181.87 1bjp h GLU 17 N 0.89 0.72 -0.44 3.15 4.81 -0.83 -0.41 114.58 122.47 1bjp h GLU 17 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1bjp h GLU 17 Cb 0.75 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1bjp h GLU 17 CO 0.06 0.49 0.14 1.15 -0.73 0.00 0.00 179.01 180.11 1bjp h THR 18 N 0.74 1.22 -0.25 0.32 2.02 -1.07 -1.17 112.91 114.72 1bjp h THR 18 Ca 0.20 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.71 1bjp h THR 18 Cb -0.07 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1bjp h THR 18 CO -0.04 0.26 -0.11 0.25 0.37 0.00 0.00 175.52 176.25 1bjp h LEU 19 N 0.57 -0.37 -0.58 2.58 5.85 -0.32 0.47 115.31 123.51 1bjp h LEU 19 Ca 0.14 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1bjp h LEU 19 Cb 0.26 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1bjp h LEU 19 CO -0.00 -0.14 0.34 0.40 -0.34 0.00 0.00 178.44 178.70 1bjp h ILE 20 N -0.07 1.05 -0.08 4.05 2.04 -0.78 0.31 117.51 124.03 1bjp h ILE 20 Ca 0.13 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1bjp h ILE 20 Cb 0.27 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1bjp h ILE 20 CO -0.30 0.12 -0.02 -0.09 0.00 0.00 0.00 178.15 177.87 1bjp h ARG 21 N 0.68 0.15 -0.23 2.37 2.43 -0.50 -2.04 114.38 117.23 1bjp h ARG 21 Ca 0.24 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1bjp h ARG 21 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1bjp h ARG 21 CO -0.11 0.47 0.13 0.93 -1.51 0.00 0.00 179.97 179.88 1bjp h GLU 22 N -0.18 0.32 -0.74 0.20 4.39 0.11 -2.06 114.58 116.62 1bjp h GLU 22 Ca 0.02 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1bjp h GLU 22 Cb 0.41 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1bjp h GLU 22 CO 0.01 0.28 0.26 0.28 -1.16 0.00 0.00 179.01 178.68 1bjp h VAL 23 N 0.28 1.25 -0.67 3.13 2.07 -0.98 0.10 116.25 121.43 1bjp h VAL 23 Ca 0.08 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1bjp h VAL 23 Cb 0.05 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1bjp h VAL 23 CO -0.01 0.34 0.35 0.28 0.02 0.00 0.00 177.57 178.54 1bjp h SER 24 N 1.08 0.86 -0.37 0.57 0.02 -1.14 -0.27 113.55 114.30 1bjp h SER 24 Ca 0.24 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1bjp h SER 24 Cb 0.25 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1bjp h SER 24 CO -0.01 0.73 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.78 1bjp h GLU 25 N 0.93 0.90 -0.45 3.45 4.39 -1.04 -0.86 114.58 121.90 1bjp h GLU 25 Ca 0.23 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1bjp h GLU 25 Cb 0.07 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1bjp h GLU 25 CO -0.03 1.07 0.28 0.00 -1.16 0.00 0.00 179.01 179.16 1bjp h ALA 26 N 0.90 0.57 -0.31 3.43 0.00 -0.31 -0.40 119.26 123.14 1bjp h ALA 26 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bjp h ALA 26 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1bjp h ALA 26 CO 0.08 0.06 0.11 0.82 0.00 0.00 0.00 179.25 180.31 1bjp h ILE 27 N 0.60 1.20 -0.44 0.00 2.04 -0.93 -1.57 117.51 118.40 1bjp h ILE 27 Ca 0.16 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1bjp h ILE 27 Cb -0.01 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1bjp h ILE 27 CO -0.03 0.21 0.23 -1.28 0.00 0.00 0.00 178.15 177.28 1bjp h SER 28 N 0.35 0.34 -0.02 1.72 0.87 -0.85 -1.52 113.55 114.45 1bjp h SER 28 Ca 0.10 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1bjp h SER 28 Cb 0.22 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1bjp h SER 28 CO -0.01 0.24 -0.01 0.03 -0.53 0.00 0.00 176.83 176.56 1bjp h ARG 29 N 0.46 0.03 -0.68 2.24 3.08 -1.04 0.92 114.38 119.40 1bjp h ARG 29 Ca 0.19 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.29 1bjp h ARG 29 Cb 0.08 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1bjp h ARG 29 CO -0.12 0.45 0.37 0.77 -1.07 0.00 0.00 179.97 180.37 1bjp h SER 30 N -0.38 0.53 0.02 7.04 0.02 -1.20 -3.00 113.55 116.58 1bjp h SER 30 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1bjp h SER 30 Cb 0.44 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1bjp h SER 30 CO 0.00 0.34 -0.85 0.18 -1.14 0.00 0.00 176.83 175.36 1bjp n LEU 31 N -4.80 1.21 -3.27 5.07 4.77 -0.58 -4.98 117.00 114.42 1bjp n LEU 31 Ca 0.09 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 1bjp n LEU 31 Cb 0.20 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1bjp n LEU 31 CO 0.28 0.27 0.11 -0.67 -1.33 0.00 0.00 177.39 176.05 1bjp n ASP 32 N -1.15 -2.14 -4.48 -1.43 -0.08 0.26 -5.01 116.55 102.52 1bjp n ASP 32 Ca 0.05 -0.58 -0.29 0.00 -1.51 0.00 0.00 54.79 52.46 1bjp n ASP 32 Cb 0.36 -4.81 -0.11 0.00 2.34 0.00 0.00 41.12 38.89 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 -3.33 2.66 0.23 -1.67 0.00 -0.83 -5.05 121.76 113.77 1bjp s ALA 33 Ca 0.01 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.31 1bjp s ALA 33 Cb -0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 23.12 22.36 1bjp s ALA 33 CO 0.68 0.59 1.61 -1.25 0.00 0.00 0.00 175.76 177.39 1bjp s PRO 34 N -2.10 4.16 0.53 0.00 0.04 -1.26 -4.61 135.00 131.75 1bjp s PRO 34 Ca 0.18 2.51 0.24 0.00 0.04 0.00 0.00 61.00 63.97 1bjp s PRO 34 Cb -0.11 -3.08 1.39 0.00 0.04 0.00 0.00 34.50 32.75 1bjp s PRO 34 CO 0.10 -0.64 2.02 1.25 0.04 0.00 0.00 177.00 179.76 1bjp h LEU 35 N 5.91 0.00 -0.89 -3.56 5.85 -1.92 -0.78 115.31 119.93 1bjp h LEU 35 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 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 0.87 0.00 0.00 0.71 -0.34 0.00 0.00 178.44 179.68 1bjp h THR 36 N 0.00 0.00 -0.01 1.05 1.35 -1.98 -2.90 112.91 110.43 1bjp h THR 36 Ca 0.21 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1bjp h THR 36 Cb 0.86 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1bjp h THR 36 CO -0.00 0.00 -0.37 -1.54 -0.25 0.00 0.00 175.52 173.36 1bjp n SER 37 N -2.41 1.20 -4.69 5.36 3.41 -0.30 -4.90 113.62 111.28 1bjp n SER 37 Ca 0.02 -0.97 -0.41 0.00 -0.26 0.00 0.00 58.87 57.25 1bjp n SER 37 Cb 0.24 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.58 4.94 -0.06 -3.33 1.01 -1.10 -3.90 120.40 115.38 1bjp s VAL 38 Ca 0.21 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1bjp s VAL 38 Cb 0.19 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1bjp s VAL 38 CO 0.57 0.13 -0.18 -0.13 0.00 0.00 0.00 175.10 175.49 1bjp s ARG 39 N 1.50 2.65 -0.05 2.72 0.52 -0.96 -5.04 118.95 120.29 1bjp s ARG 39 Ca 0.40 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1bjp s ARG 39 Cb -0.18 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 32.97 1bjp s ARG 39 CO 0.17 0.47 -0.08 0.08 0.02 0.00 0.00 175.30 175.95 1bjp s VAL 40 N -0.35 0.83 -0.15 3.52 1.01 -1.26 -0.79 120.40 123.22 1bjp s VAL 40 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1bjp s VAL 40 Cb -0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1bjp s VAL 40 CO 0.02 0.29 -0.15 -0.63 0.00 0.00 0.00 175.10 174.63 1bjp s ILE 41 N 0.74 2.76 -0.24 2.22 1.01 0.38 -4.97 121.20 123.10 1bjp s ILE 41 Ca -0.13 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1bjp s ILE 41 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1bjp s ILE 41 CO 0.02 0.51 0.08 -0.63 0.00 0.00 0.00 174.94 174.93 1bjp s ILE 42 N 0.72 4.49 -0.26 2.92 1.01 -1.26 -0.17 121.20 128.65 1bjp s ILE 42 Ca -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1bjp s ILE 42 Cb -0.15 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1bjp s ILE 42 CO 0.01 0.35 -0.01 -0.89 0.00 0.00 0.00 174.94 174.40 1bjp s THR 43 N 1.45 3.37 0.07 2.92 2.01 0.53 -4.94 115.64 121.05 1bjp s THR 43 Ca 0.06 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1bjp s THR 43 Cb -0.15 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.63 1bjp s THR 43 CO 0.04 0.22 0.62 -1.61 -0.69 0.00 0.00 174.62 173.21 1bjp s GLU 44 N 1.42 4.31 -0.09 4.92 2.02 -1.26 -2.02 118.70 128.01 1bjp s GLU 44 Ca 0.03 0.83 -0.01 0.00 0.02 0.00 0.00 54.97 55.84 1bjp s GLU 44 Cb -0.16 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1bjp s GLU 44 CO -0.02 0.55 -0.05 -1.64 0.02 0.00 0.00 175.26 174.12 1bjp s MET 45 N -0.86 2.98 0.35 1.61 -1.94 0.23 -4.90 119.30 116.76 1bjp s MET 45 Ca 0.31 -0.51 -0.26 0.00 -1.71 0.00 0.00 55.69 53.52 1bjp s MET 45 Cb -0.20 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 1bjp s MET 45 CO 0.20 0.59 1.04 0.00 -0.01 0.00 0.00 175.02 176.84 1bjp s ALA 46 N -0.60 3.20 0.57 3.03 0.00 -1.26 -0.48 121.76 126.23 1bjp s ALA 46 Ca 0.09 0.72 0.27 0.00 0.00 0.00 0.00 51.96 53.05 1bjp s ALA 46 Cb -0.12 -3.27 1.54 0.00 0.00 0.00 0.00 23.12 21.27 1bjp s ALA 46 CO 0.02 -0.12 2.04 0.87 0.00 0.00 0.00 175.76 178.57 1bjp h LYS 47 N 3.04 0.00 -0.09 0.00 1.57 -1.94 0.33 116.57 119.48 1bjp h LYS 47 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1bjp h LYS 47 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 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 -1.49 -0.14 0.16 3.86 0.00 -1.26 -2.86 105.19 103.46 1bjp n GLY 48 Ca 0.05 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.11 -4.76 1.61 8.25 0.11 -4.96 115.22 115.54 1bjp n HIS 49 Ca 0.16 -0.47 -0.27 0.00 -0.26 0.00 0.00 57.72 56.88 1bjp n HIS 49 Cb 0.26 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.95 1.86 0.04 4.41 5.36 -1.22 -4.90 117.98 122.58 1bjp s PHE 50 Ca 0.06 -0.74 0.08 0.00 -0.96 0.00 0.00 56.93 55.37 1bjp s PHE 50 Cb 0.03 -1.31 -0.03 0.00 -0.34 0.00 0.00 43.02 41.37 1bjp s PHE 50 CO 0.04 -0.35 -0.24 0.20 -1.46 0.00 0.00 175.22 173.41 1bjp s GLY 51 N 0.61 1.27 -0.09 13.12 0.00 -1.26 -0.79 107.32 120.18 1bjp s GLY 51 Ca -0.15 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1bjp s GLY 51 CO 0.05 -1.05 -0.10 -0.42 0.00 0.00 0.00 173.10 171.58 1bjp s ILE 52 N -0.76 1.08 -1.91 0.90 1.09 -0.12 -4.73 121.20 116.75 1bjp s ILE 52 Ca 0.10 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.26 1bjp s ILE 52 Cb -0.09 -1.04 0.00 0.00 -1.06 0.00 0.00 42.46 40.26 1bjp s ILE 52 CO 0.02 0.36 0.00 0.61 -0.10 0.00 0.00 174.94 175.83 1bjp n GLY 53 N 4.37 0.78 1.61 6.18 0.00 -1.26 -2.02 105.19 114.84 1bjp n GLY 53 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 2.69 3.93 -0.02 0.00 -1.26 -5.04 105.19 104.83 1bjp n GLY 54 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.57 3.49 0.51 1.61 2.02 -0.85 -5.02 118.70 119.88 1bjp s GLU 55 Ca 0.00 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 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 0.49 1.18 -0.51 0.02 0.00 0.00 175.26 176.44 1bjp s LEU 56 N -3.05 3.87 0.47 1.80 1.43 -1.26 -0.94 118.68 121.00 1bjp s LEU 56 Ca 0.37 2.32 0.23 0.00 -1.03 0.00 0.00 54.13 56.02 1bjp s LEU 56 Cb -0.12 -4.40 1.18 0.00 0.03 0.00 0.00 46.19 42.89 1bjp s LEU 56 CO 0.28 -1.17 1.97 0.00 0.23 0.00 0.00 176.35 177.67 1bjp h ALA 57 N 1.57 1.28 0.00 4.21 0.00 -0.88 -2.66 119.26 122.78 1bjp h ALA 57 Ca -0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1bjp h ALA 57 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bjp h ALA 57 CO 0.58 0.24 -0.14 0.66 0.00 0.00 0.00 179.25 180.59 1bjp h SER 58 N 0.00 0.00 0.56 0.00 4.64 -1.77 0.92 113.55 117.89 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1bjp h SER 58 CO 0.03 0.14 -0.91 0.29 -0.87 0.00 0.00 176.83 175.51 1bjp n LYS 59 N -3.49 0.29 0.00 4.77 5.02 -1.01 -4.44 118.16 119.29 1bjp n LYS 59 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1bjp n LYS 59 Cb 0.30 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.00 0.20 -4.06 -0.18 3.14 -0.78 -5.05 118.33 109.60 1bjp n VAL 60 Ca 0.02 -0.33 -0.10 0.00 -2.96 0.00 0.00 64.34 60.98 1bjp n VAL 60 Cb 0.44 1.20 -0.08 0.00 -1.06 0.00 0.00 33.84 34.34 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 -0.20 1.17 0.00 1.45 1.81 0.31 -5.02 118.95 118.46 1bjp s ARG 61 Ca 0.00 -1.34 0.11 0.00 -1.72 0.00 0.00 55.73 52.77 1bjp s ARG 61 Cb 0.00 0.34 0.63 0.00 -0.45 0.00 0.00 34.95 35.46 1bjp s ARG 61 CO 0.00 -0.41 1.07 -2.13 -0.68 0.00 0.00 175.30 173.15