#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 1.74 -0.10 0.52 1.01 -1.26 -1.93 121.20 121.17 1bjp s ILE 2 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1bjp s ILE 2 Cb 0.00 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 1bjp s ILE 2 CO 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.21 1bjp s ALA 3 N 0.37 2.24 -0.18 9.38 0.00 0.11 -4.98 121.76 128.69 1bjp s ALA 3 Ca -0.15 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 1bjp s ALA 3 Cb -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1bjp s ALA 3 CO 0.06 0.29 -0.14 -1.14 0.00 0.00 0.00 175.76 174.84 1bjp s GLN 4 N 0.31 3.19 -0.19 0.00 0.74 -1.26 0.20 119.66 122.66 1bjp s GLN 4 Ca -0.17 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.49 1bjp s GLN 4 Cb -0.17 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1bjp s GLN 4 CO 0.08 -0.10 -0.13 0.42 -0.55 0.00 0.00 175.29 175.02 1bjp s ILE 5 N 1.11 2.73 -0.24 -2.34 1.01 0.15 -4.97 121.20 118.64 1bjp s ILE 5 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1bjp s ILE 5 Cb -0.14 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1bjp s ILE 5 CO -0.05 0.49 0.21 -1.00 0.00 0.00 0.00 174.94 174.59 1bjp s HIS 6 N 1.21 3.31 0.07 3.97 3.76 -1.26 -0.01 115.29 126.34 1bjp s HIS 6 Ca 0.02 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 1bjp s HIS 6 Cb -0.14 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 1bjp s HIS 6 CO -0.06 0.01 -0.06 0.96 -0.85 0.00 0.00 174.74 174.75 1bjp s ILE 7 N 1.22 0.50 0.53 0.60 -4.36 -0.64 -4.98 121.20 114.07 1bjp s ILE 7 Ca 0.10 -1.59 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 1bjp s ILE 7 Cb -0.14 -1.23 -0.06 0.00 1.25 0.00 0.00 42.46 42.27 1bjp s ILE 7 CO 0.06 -0.74 1.09 -0.76 0.24 0.00 0.00 174.94 174.84 1bjp s LEU 8 N -2.49 3.74 0.77 0.37 1.43 -1.26 -0.65 118.68 120.59 1bjp s LEU 8 Ca 0.03 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1bjp s LEU 8 Cb 0.00 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.71 1bjp s LEU 8 CO -0.04 -1.10 1.11 -1.83 0.23 0.00 0.00 176.35 174.72 1bjp s GLU 9 N -3.36 2.19 0.00 1.70 -1.05 -0.21 -4.40 118.70 113.57 1bjp s GLU 9 Ca 0.70 1.30 0.00 0.00 -0.15 0.00 0.00 54.97 56.82 1bjp s GLU 9 Cb -0.21 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 1bjp s GLU 9 CO 0.26 -1.71 0.00 0.41 0.95 0.00 0.00 175.26 175.17 1bjp n GLY 10 N -0.77 1.30 3.71 -3.83 0.00 -1.26 -4.97 105.19 99.37 1bjp n GLY 10 Ca 0.10 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 1.77 0.78 1.61 3.00 -1.26 -5.01 118.95 119.84 1bjp s ARG 11 Ca 0.00 1.55 -0.09 0.00 0.00 0.00 0.00 55.73 57.19 1bjp s ARG 11 Cb 0.00 -1.81 0.10 0.00 0.00 0.00 0.00 34.95 33.24 1bjp s ARG 11 CO 0.00 -2.07 1.11 -1.54 0.00 0.00 0.00 175.30 172.80 1bjp s SER 12 N -2.57 4.32 0.34 0.23 1.04 -1.26 -4.93 113.70 110.87 1bjp s SER 12 Ca 0.68 0.39 0.16 0.00 0.48 0.00 0.00 55.95 57.66 1bjp s SER 12 Cb -0.24 -0.84 0.59 0.00 0.10 0.00 0.00 66.02 65.63 1bjp s SER 12 CO 0.52 -1.94 1.70 0.44 0.98 0.00 0.00 173.24 174.94 1bjp h ASP 13 N -0.92 0.00 -0.37 7.02 3.32 -1.99 -2.42 116.42 121.07 1bjp h ASP 13 Ca -0.44 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 1bjp h ASP 13 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1bjp h ASP 13 CO 0.54 0.45 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.89 1bjp h GLU 14 N 0.00 0.84 -0.50 3.56 3.07 -1.99 -0.90 114.58 118.67 1bjp h GLU 14 Ca -0.00 -0.42 -0.12 0.00 -0.50 0.00 0.00 59.36 58.32 1bjp h GLU 14 Cb 0.94 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 1bjp h GLU 14 CO 0.06 1.06 -0.16 1.96 -1.40 0.00 0.00 179.01 180.53 1bjp h GLN 15 N 0.64 0.96 -0.34 2.33 4.20 -1.89 -1.81 115.11 119.20 1bjp h GLN 15 Ca 0.07 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 1bjp h GLN 15 Cb 0.87 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1bjp h GLN 15 CO 0.08 1.04 -0.24 0.87 -0.67 0.00 0.00 178.83 179.91 1bjp h LYS 16 N 0.85 0.67 -0.43 1.46 1.57 -1.32 0.82 116.57 120.19 1bjp h LYS 16 Ca 0.12 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1bjp h LYS 16 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1bjp h LYS 16 CO 0.05 0.85 0.06 1.49 -0.57 0.00 0.00 179.45 181.34 1bjp h GLU 17 N 0.59 0.71 -0.39 3.15 4.81 -1.06 -0.64 114.58 121.74 1bjp h GLU 17 Ca 0.08 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1bjp h GLU 17 Cb 0.71 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1bjp h GLU 17 CO 0.05 0.75 0.13 1.15 -0.73 0.00 0.00 179.01 180.37 1bjp h THR 18 N 0.57 1.21 -0.31 0.32 2.02 -1.05 -2.03 112.91 113.64 1bjp h THR 18 Ca 0.13 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1bjp h THR 18 Cb 0.39 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1bjp h THR 18 CO 0.01 0.23 -0.00 0.25 0.37 0.00 0.00 175.52 176.38 1bjp h LEU 19 N 0.48 -0.13 -1.38 2.58 5.85 -0.55 0.63 115.31 122.79 1bjp h LEU 19 Ca 0.13 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1bjp h LEU 19 Cb 0.23 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1bjp h LEU 19 CO -0.01 -0.03 0.06 0.40 -0.34 0.00 0.00 178.44 178.52 1bjp h ILE 20 N 0.09 1.16 0.07 4.05 2.04 -1.00 -0.59 117.51 123.32 1bjp h ILE 20 Ca 0.15 -0.59 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 1bjp h ILE 20 Cb 0.20 0.86 0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1bjp h ILE 20 CO -0.25 0.21 -0.68 -0.09 0.00 0.00 0.00 178.15 177.34 1bjp h ARG 21 N 0.46 0.34 -0.46 2.37 2.43 -0.43 -2.78 114.38 116.31 1bjp h ARG 21 Ca 0.11 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 1bjp h ARG 21 Cb 0.21 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1bjp h ARG 21 CO -0.00 1.16 0.08 0.93 -1.51 0.00 0.00 179.97 180.62 1bjp h GLU 22 N -0.25 0.76 -0.36 0.20 4.39 0.41 -2.19 114.58 117.53 1bjp h GLU 22 Ca -0.10 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 1bjp h GLU 22 Cb 1.45 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1bjp h GLU 22 CO 0.13 0.77 -0.20 0.28 -1.16 0.00 0.00 179.01 178.84 1bjp h VAL 23 N 0.62 1.27 -0.25 3.13 2.07 -1.22 -1.24 116.25 120.63 1bjp h VAL 23 Ca 0.14 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1bjp h VAL 23 Cb 0.38 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1bjp h VAL 23 CO 0.01 0.42 0.09 0.28 0.02 0.00 0.00 177.57 178.38 1bjp h SER 24 N 0.61 0.35 -0.66 0.57 0.02 -1.34 -0.49 113.55 112.62 1bjp h SER 24 Ca 0.09 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1bjp h SER 24 Cb 0.67 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1bjp h SER 24 CO 0.05 0.45 0.30 -0.33 -1.14 0.00 0.00 176.83 176.16 1bjp h GLU 25 N 0.24 0.95 -0.64 3.45 4.39 -1.32 -0.75 114.58 120.90 1bjp h GLU 25 Ca 0.08 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1bjp h GLU 25 Cb 0.21 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1bjp h GLU 25 CO -0.00 0.77 0.40 0.00 -1.16 0.00 0.00 179.01 179.02 1bjp h ALA 26 N 1.13 0.81 -0.32 3.43 0.00 -0.98 0.17 119.26 123.51 1bjp h ALA 26 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bjp h ALA 26 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1bjp h ALA 26 CO -0.03 0.27 0.02 0.82 0.00 0.00 0.00 179.25 180.33 1bjp h ILE 27 N 0.87 1.25 -0.46 0.00 2.04 -0.90 -1.59 117.51 118.71 1bjp h ILE 27 Ca 0.23 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1bjp h ILE 27 Cb -0.06 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1bjp h ILE 27 CO -0.05 0.30 0.28 -1.28 0.00 0.00 0.00 178.15 177.40 1bjp h SER 28 N 0.37 0.46 -0.19 1.72 0.87 -0.70 -1.49 113.55 114.59 1bjp h SER 28 Ca 0.09 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1bjp h SER 28 Cb 0.41 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1bjp h SER 28 CO 0.01 0.33 -0.13 0.03 -0.53 0.00 0.00 176.83 176.54 1bjp h ARG 29 N 0.57 0.42 -0.81 2.24 3.08 -0.67 -0.35 114.38 118.86 1bjp h ARG 29 Ca 0.18 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1bjp h ARG 29 Cb -0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1bjp h ARG 29 CO -0.08 0.74 0.52 0.77 -1.07 0.00 0.00 179.97 180.86 1bjp h SER 30 N 0.09 0.87 -0.01 7.04 0.02 -1.17 -2.99 113.55 117.40 1bjp h SER 30 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1bjp h SER 30 Cb 0.64 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1bjp h SER 30 CO 0.04 0.61 -0.51 0.18 -1.14 0.00 0.00 176.83 176.00 1bjp n LEU 31 N -4.57 1.74 -3.44 5.07 4.77 -0.57 -5.00 117.00 114.99 1bjp n LEU 31 Ca 0.09 -0.72 -0.21 0.00 -0.03 0.00 0.00 56.01 55.15 1bjp n LEU 31 Cb 0.08 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1bjp n LEU 31 CO 0.34 0.34 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.06 1bjp n ASP 32 N -0.29 -5.40 -4.37 -1.43 -0.08 -0.22 -5.02 116.55 99.75 1bjp n ASP 32 Ca 0.08 -0.81 -0.26 0.00 -1.51 0.00 0.00 54.79 52.28 1bjp n ASP 32 Cb 0.41 -4.51 -0.12 0.00 2.34 0.00 0.00 41.12 39.23 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 -3.44 2.26 0.22 -1.67 0.00 -0.75 -5.04 121.76 113.34 1bjp s ALA 33 Ca 0.39 -1.49 -0.31 0.00 0.00 0.00 0.00 51.96 50.55 1bjp s ALA 33 Cb -0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 23.12 22.62 1bjp s ALA 33 CO 0.79 0.42 1.58 -1.25 0.00 0.00 0.00 175.76 177.29 1bjp s PRO 34 N -2.37 4.19 0.47 0.00 0.04 -1.26 -4.63 135.00 131.44 1bjp s PRO 34 Ca 0.15 2.44 0.22 0.00 0.04 0.00 0.00 61.00 63.85 1bjp s PRO 34 Cb -0.09 -3.10 1.23 0.00 0.04 0.00 0.00 34.50 32.58 1bjp s PRO 34 CO 0.07 -0.61 1.92 1.25 0.04 0.00 0.00 177.00 179.68 1bjp h LEU 35 N 6.08 0.22 -0.43 -3.56 5.85 -1.92 -1.69 115.31 119.85 1bjp h LEU 35 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1bjp h LEU 35 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1bjp h LEU 35 CO 0.87 0.10 0.00 0.35 -0.34 0.00 0.00 178.44 179.42 1bjp n THR 36 N -4.42 1.01 1.07 1.05 -2.24 -1.26 -2.50 114.28 106.99 1bjp n THR 36 Ca 0.15 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 1bjp n THR 36 Cb 0.66 -1.17 0.18 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.89 0.99 -4.67 3.42 3.41 -0.64 -4.91 113.62 109.33 1bjp n SER 37 Ca 0.02 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.43 1bjp n SER 37 Cb 0.17 0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.77 4.85 -0.07 -3.33 1.01 -1.04 -3.99 120.40 115.06 1bjp s VAL 38 Ca 0.16 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1bjp s VAL 38 Cb 0.18 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1bjp s VAL 38 CO 0.66 0.01 -0.07 -0.13 0.00 0.00 0.00 175.10 175.57 1bjp s ARG 39 N 2.21 2.78 -0.07 2.72 0.52 -0.81 -5.04 118.95 121.27 1bjp s ARG 39 Ca 0.40 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1bjp s ARG 39 Cb -0.17 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.72 1bjp s ARG 39 CO 0.13 0.64 -0.09 0.08 0.02 0.00 0.00 175.30 176.08 1bjp s VAL 40 N -0.75 0.90 -0.16 3.52 1.01 -1.26 -0.71 120.40 122.94 1bjp s VAL 40 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1bjp s VAL 40 Cb -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1bjp s VAL 40 CO 0.01 0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.66 1bjp s ILE 41 N 0.95 2.84 -0.28 2.22 1.01 0.13 -4.97 121.20 123.10 1bjp s ILE 41 Ca -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1bjp s ILE 41 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1bjp s ILE 41 CO 0.00 0.51 0.12 -0.63 0.00 0.00 0.00 174.94 174.94 1bjp s ILE 42 N 0.79 4.51 -0.23 2.92 1.01 -1.26 0.31 121.20 129.26 1bjp s ILE 42 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1bjp s ILE 42 Cb -0.15 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1bjp s ILE 42 CO 0.01 0.21 -0.02 -0.89 0.00 0.00 0.00 174.94 174.24 1bjp s THR 43 N 1.62 3.49 0.00 2.92 2.01 0.98 -4.94 115.64 121.73 1bjp s THR 43 Ca 0.06 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 1bjp s THR 43 Cb -0.16 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 1bjp s THR 43 CO 0.05 0.39 0.54 -1.61 -0.69 0.00 0.00 174.62 173.30 1bjp s GLU 44 N 1.49 4.22 -0.12 4.92 2.02 -1.26 -1.63 118.70 128.35 1bjp s GLU 44 Ca 0.06 0.64 -0.02 0.00 0.02 0.00 0.00 54.97 55.66 1bjp s GLU 44 Cb -0.15 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1bjp s GLU 44 CO -0.02 0.47 -0.03 -1.64 0.02 0.00 0.00 175.26 174.06 1bjp s MET 45 N -0.48 3.26 0.38 1.61 -1.94 0.18 -4.90 119.30 117.42 1bjp s MET 45 Ca 0.28 -0.49 -0.25 0.00 -1.71 0.00 0.00 55.69 53.52 1bjp s MET 45 Cb -0.18 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.76 1bjp s MET 45 CO 0.16 0.48 1.12 0.00 -0.01 0.00 0.00 175.02 176.77 1bjp s ALA 46 N -0.28 3.17 0.57 3.03 0.00 -1.26 -1.05 121.76 125.94 1bjp s ALA 46 Ca 0.05 0.87 0.27 0.00 0.00 0.00 0.00 51.96 53.15 1bjp s ALA 46 Cb -0.13 -3.34 1.51 0.00 0.00 0.00 0.00 23.12 21.17 1bjp s ALA 46 CO 0.02 -0.37 2.02 0.87 0.00 0.00 0.00 175.76 178.30 1bjp h LYS 47 N 2.76 0.00 -0.03 0.00 1.57 -1.94 0.36 116.57 119.29 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 0.63 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 1bjp n GLY 48 N -1.51 -0.37 0.49 3.86 0.00 -1.26 -2.69 105.19 103.71 1bjp n GLY 48 Ca 0.06 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.26 0.29 -4.65 1.61 8.25 0.12 -4.94 115.22 115.64 1bjp n HIS 49 Ca 0.20 -0.38 -0.29 0.00 -0.26 0.00 0.00 57.72 56.99 1bjp n HIS 49 Cb 0.25 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.94 2.14 0.09 4.41 5.36 -1.20 -4.90 117.98 122.94 1bjp s PHE 50 Ca 0.17 -0.97 0.09 0.00 -0.96 0.00 0.00 56.93 55.26 1bjp s PHE 50 Cb 0.09 -1.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 1bjp s PHE 50 CO 0.13 -0.46 -0.24 0.20 -1.46 0.00 0.00 175.22 173.39 1bjp s GLY 51 N 0.79 1.36 -0.09 13.12 0.00 -1.26 -0.24 107.32 121.00 1bjp s GLY 51 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1bjp s GLY 51 CO 0.01 -1.26 -0.08 -0.42 0.00 0.00 0.00 173.10 171.35 1bjp s ILE 52 N -1.01 0.97 -1.91 0.90 1.09 -0.54 -4.73 121.20 115.98 1bjp s ILE 52 Ca 0.10 -0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.35 1bjp s ILE 52 Cb -0.10 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.33 1bjp s ILE 52 CO 0.04 0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.84 1bjp n GLY 53 N 4.56 1.63 0.70 6.18 0.00 -1.26 -2.17 105.19 114.83 1bjp n GLY 53 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.75 0.70 3.72 -0.02 0.00 -1.26 -5.06 105.19 102.52 1bjp n GLY 54 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 2.84 0.58 1.61 2.02 -0.92 -5.03 118.70 119.04 1bjp s GLU 55 Ca 0.00 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.18 1bjp s GLU 55 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1bjp s GLU 55 CO 0.00 0.61 1.25 -0.51 0.02 0.00 0.00 175.26 176.63 1bjp s LEU 56 N -1.82 3.71 0.47 1.80 1.43 -1.26 -1.46 118.68 121.55 1bjp s LEU 56 Ca 0.23 2.49 0.25 0.00 -1.03 0.00 0.00 54.13 56.07 1bjp s LEU 56 Cb -0.12 -4.52 1.15 0.00 0.03 0.00 0.00 46.19 42.74 1bjp s LEU 56 CO 0.14 -1.61 1.94 0.00 0.23 0.00 0.00 176.35 177.05 1bjp h ALA 57 N 1.03 1.14 0.00 4.21 0.00 -0.54 -2.38 119.26 122.72 1bjp h ALA 57 Ca -0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1bjp h ALA 57 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1bjp h ALA 57 CO 0.56 0.24 -0.20 0.66 0.00 0.00 0.00 179.25 180.51 1bjp h SER 58 N 0.00 0.00 0.57 0.00 4.64 -1.74 1.74 113.55 118.76 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 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1bjp h SER 58 CO 0.02 0.20 -1.10 0.29 -0.87 0.00 0.00 176.83 175.37 1bjp n LYS 59 N -3.62 0.42 0.00 4.77 5.02 -0.92 -4.49 118.16 119.33 1bjp n LYS 59 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bjp n LYS 59 Cb 0.33 -1.65 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 -2.20 0.09 -4.15 -0.18 3.14 -0.67 -5.04 118.33 109.34 1bjp n VAL 60 Ca 0.01 -0.29 -0.11 0.00 -2.96 0.00 0.00 64.34 60.99 1bjp n VAL 60 Cb 0.48 1.36 -0.09 0.00 -1.06 0.00 0.00 33.84 34.53 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 -0.09 1.13 0.00 1.45 1.81 0.58 -5.01 118.95 118.82 1bjp s ARG 61 Ca 0.00 -1.50 0.13 0.00 -1.72 0.00 0.00 55.73 52.64 1bjp s ARG 61 Cb 0.00 0.28 0.78 0.00 -0.45 0.00 0.00 34.95 35.56 1bjp s ARG 61 CO 0.00 -0.37 1.20 -2.13 -0.68 0.00 0.00 175.30 173.33