#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqt n THR 2 N 0.00 0.96 -3.94 2.03 -2.24 -1.26 -5.08 114.28 104.76 2jqt n THR 2 Ca 0.00 -2.13 -0.31 0.00 -2.27 0.00 0.00 64.05 59.35 2jqt n THR 2 Cb 0.00 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.75 2jqt n THR 2 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jqt s VAL 3 N -1.79 5.28 -0.26 2.28 0.11 -1.26 -5.10 120.40 119.65 2jqt s VAL 3 Ca 0.35 -0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 2jqt s VAL 3 Cb 0.38 -3.58 0.13 0.00 -1.53 0.00 0.00 36.38 31.77 2jqt s VAL 3 CO -0.11 0.12 0.55 0.00 -3.33 0.00 0.00 175.10 172.33 2jqt s GLN 4 N -2.55 0.48 -0.47 1.54 0.00 -1.26 -5.12 119.66 112.28 2jqt s GLN 4 Ca 0.34 1.17 -0.16 0.00 -0.00 0.00 0.00 55.36 56.71 2jqt s GLN 4 Cb -0.13 0.53 0.06 0.00 0.00 0.00 0.00 33.01 33.47 2jqt s GLN 4 CO 0.27 -0.33 0.41 -0.51 0.00 0.00 0.00 175.29 175.13 2jqt s ASP 5 N 2.77 6.15 0.29 12.60 1.01 -1.26 -4.92 116.67 133.32 2jqt s ASP 5 Ca 0.02 -1.20 0.08 0.00 0.71 0.00 0.00 52.55 52.16 2jqt s ASP 5 Cb -0.13 -2.19 0.45 0.00 1.01 0.00 0.00 42.92 42.06 2jqt s ASP 5 CO -0.17 -0.64 1.69 1.88 0.21 0.00 0.00 175.17 178.13 2jqt h TYR 6 N 8.76 0.20 -0.18 4.23 0.05 -2.02 -2.85 116.97 125.17 2jqt h TYR 6 Ca -0.28 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.44 2jqt h TYR 6 Cb 1.11 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2jqt h TYR 6 CO 0.64 0.60 0.09 -0.07 -1.05 0.00 0.00 178.16 178.37 2jqt h LEU 7 N 0.14 0.21 -1.65 3.88 4.07 -1.96 -1.24 115.31 118.76 2jqt h LEU 7 Ca 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2jqt h LEU 7 Cb 0.87 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 2jqt h LEU 7 CO 0.07 0.18 -0.07 0.25 -1.08 0.00 0.00 178.44 177.78 2jqt h LEU 8 N 0.24 0.12 0.18 1.67 5.85 -1.93 -0.78 115.31 120.67 2jqt h LEU 8 Ca 0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2jqt h LEU 8 Cb 0.02 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jqt h LEU 8 CO -0.01 0.22 -0.09 0.11 -0.34 0.00 0.00 178.44 178.33 2jqt h LYS 9 N 0.13 -0.24 0.00 1.25 6.56 -1.34 -3.09 116.57 119.84 2jqt h LYS 9 Ca 0.03 0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 2jqt h LYS 9 Cb 0.22 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2jqt h LYS 9 CO 0.01 0.13 -0.16 0.74 -2.06 0.00 0.00 179.45 178.11 2jqt h PHE 10 N -0.66 0.00 -0.80 -1.35 0.04 -1.46 -2.72 116.94 109.99 2jqt h PHE 10 Ca -0.03 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.85 2jqt h PHE 10 Cb 0.48 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.55 2jqt h PHE 10 CO 0.05 0.16 0.44 -0.09 -0.60 0.00 0.00 178.31 178.27 2jqt h ARG 11 N 0.00 0.71 -0.45 1.51 2.43 -1.06 0.12 114.38 117.64 2jqt h ARG 11 Ca -0.00 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.26 2jqt h ARG 11 Cb 0.34 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jqt h ARG 11 CO 0.02 0.47 0.44 -0.22 -1.51 0.00 0.00 179.97 179.17 2jqt h LYS 12 N 0.73 0.00 -6.00 0.20 1.63 -1.50 -3.39 116.57 108.23 2jqt h LYS 12 Ca 0.40 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.64 2jqt h LYS 12 Cb 0.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2jqt h LYS 12 CO -0.27 0.00 1.45 0.42 -3.45 0.00 0.00 179.45 177.60 2jqt s ILE 13 N -4.69 3.16 -0.67 2.00 1.01 0.03 -4.81 121.20 117.23 2jqt s ILE 13 Ca -0.04 0.15 0.15 0.00 0.00 0.00 0.00 60.65 60.91 2jqt s ILE 13 Cb 0.16 -3.25 0.52 0.00 0.01 0.00 0.00 42.46 39.90 2jqt s ILE 13 CO 0.58 -0.18 1.43 -0.24 0.00 0.00 0.00 174.94 176.54 2jqt n SER 14 N 12.14 3.87 -4.27 3.58 2.88 -1.26 -4.96 113.62 125.60 2jqt n SER 14 Ca 0.28 -2.54 -0.31 0.00 -1.33 0.00 0.00 58.87 54.98 2jqt n SER 14 Cb 0.48 -0.46 -0.16 0.00 -0.75 0.00 0.00 64.21 63.32 2jqt n SER 14 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jqt s SER 15 N -1.33 2.97 0.22 -3.46 0.15 -1.26 -5.02 113.70 105.97 2jqt s SER 15 Ca 0.39 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 2jqt s SER 15 Cb 0.27 -0.64 0.21 0.00 -1.71 0.00 0.00 66.02 64.15 2jqt s SER 15 CO 0.15 0.26 1.61 0.25 1.20 0.00 0.00 173.24 176.72 2jqt h LEU 16 N 5.87 0.69 -0.90 3.45 5.85 -2.02 -3.03 115.31 125.22 2jqt h LEU 16 Ca -0.36 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.12 2jqt h LEU 16 Cb 1.16 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2jqt h LEU 16 CO 0.47 0.95 0.59 -0.33 -0.34 0.00 0.00 178.44 179.78 2jqt h GLU 17 N 0.57 1.12 -0.07 1.25 4.39 -2.02 -0.99 114.58 118.83 2jqt h GLU 17 Ca 0.07 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2jqt h GLU 17 Cb 0.81 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2jqt h GLU 17 CO 0.07 0.74 0.06 0.77 -1.16 0.00 0.00 179.01 179.49 2jqt h SER 18 N 1.15 0.00 0.65 1.42 0.02 -1.96 -2.59 113.55 112.24 2jqt h SER 18 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2jqt h SER 18 Cb -0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2jqt h SER 18 CO -0.11 0.00 -0.44 0.25 -1.14 0.00 0.00 176.83 175.39 2jqt h LEU 19 N 0.00 -1.14 -0.91 5.07 6.46 -1.22 0.31 115.31 123.87 2jqt h LEU 19 Ca 0.03 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2jqt h LEU 19 Cb 0.16 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 2jqt h LEU 19 CO -0.00 -0.66 0.58 1.05 -0.62 0.00 0.00 178.44 178.79 2jqt h GLU 20 N -1.04 1.21 0.04 1.25 4.11 -1.59 0.49 114.58 119.06 2jqt h GLU 20 Ca -0.09 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2jqt h GLU 20 Cb 0.85 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jqt h GLU 20 CO 0.06 0.83 -0.04 -0.22 0.07 0.00 0.00 179.01 179.71 2jqt h LYS 21 N 1.24 -0.08 -0.07 1.06 3.64 -1.29 -2.18 116.57 118.89 2jqt h LYS 21 Ca 0.33 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 2jqt h LYS 21 Cb -0.10 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2jqt h LYS 21 CO -0.07 -0.06 -0.31 1.25 -2.27 0.00 0.00 179.45 178.00 2jqt h LEU 22 N -0.09 0.13 -0.28 5.20 6.46 -0.13 -0.79 115.31 125.81 2jqt h LEU 22 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2jqt h LEU 22 Cb 0.08 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2jqt h LEU 22 CO -0.01 0.44 0.18 1.88 -0.62 0.00 0.00 178.44 180.31 2jqt h TYR 23 N 0.12 0.35 0.01 1.25 -1.99 -0.43 0.52 116.97 116.80 2jqt h TYR 23 Ca 0.02 0.01 -0.20 0.00 2.00 0.00 0.00 58.73 60.56 2jqt h TYR 23 Cb 0.60 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 2jqt h TYR 23 CO 0.01 0.22 -0.92 0.22 -0.00 0.00 0.00 178.16 177.68 2jqt h ASP 24 N 0.38 0.10 0.17 3.88 1.82 -1.25 -2.65 116.42 118.87 2jqt h ASP 24 Ca 0.10 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2jqt h ASP 24 Cb -0.04 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2jqt h ASP 24 CO -0.02 0.96 -0.08 -0.74 -1.61 0.00 0.00 179.24 177.75 2jqt h HIS 25 N 0.03 -0.21 -0.20 0.28 2.76 -0.86 0.43 115.15 117.38 2jqt h HIS 25 Ca -0.03 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2jqt h HIS 25 Cb 1.60 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.62 2jqt h HIS 25 CO 0.01 0.21 0.04 1.25 -1.30 0.00 0.00 177.93 178.14 2jqt h LEU 26 N -0.78 0.26 -0.12 0.26 5.85 -0.08 -1.89 115.31 118.80 2jqt h LEU 26 Ca -0.02 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 2jqt h LEU 26 Cb 0.52 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2jqt h LEU 26 CO 0.04 0.28 -0.94 -1.13 -0.34 0.00 0.00 178.44 176.35 2jqt h ASN 27 N 0.29 0.01 -0.92 1.25 -1.24 -1.48 -3.24 115.58 110.24 2jqt h ASN 27 Ca 0.07 -0.01 -0.52 0.00 0.71 0.00 0.00 56.30 56.55 2jqt h ASN 27 Cb 0.14 -0.00 -0.28 0.00 0.73 0.00 0.00 38.32 38.91 2jqt h ASN 27 CO -0.00 0.95 0.66 0.00 -1.29 0.00 0.00 177.43 177.75 2jqt n TYR 28 N -3.43 2.88 0.00 0.67 9.36 0.14 -3.74 117.16 123.03 2jqt n TYR 28 Ca -0.00 -2.06 0.00 0.00 3.32 0.00 0.00 57.90 59.16 2jqt n TYR 28 Cb 0.89 -1.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 2jqt n TYR 28 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jqt n THR 29 N -0.94 0.00 -0.10 2.97 -2.24 -0.96 -4.95 114.28 108.06 2jqt n THR 29 Ca 0.56 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.24 2jqt n THR 29 Cb 1.33 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 68.75 2jqt n THR 29 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jqt n LEU 30 N -1.90 0.02 -3.10 3.22 0.00 -1.25 -5.02 117.00 108.97 2jqt n LEU 30 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 56.01 55.85 2jqt n LEU 30 Cb 0.00 0.49 0.07 0.00 0.00 0.00 0.00 43.42 43.98 2jqt n LEU 30 CO 0.00 0.50 0.15 0.41 0.00 0.00 0.00 177.39 178.45 2jqt n THR 31 N -2.76 -3.91 -4.05 1.96 -1.04 -1.25 -5.02 114.28 98.21 2jqt n THR 31 Ca -0.33 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.05 61.23 2jqt n THR 31 Cb 1.16 -4.16 -0.06 0.00 -1.82 0.00 0.00 70.33 65.45 2jqt n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jqt s ASP 32 N -3.74 4.83 0.49 8.00 -1.08 -1.26 -5.02 116.67 118.89 2jqt s ASP 32 Ca 0.24 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.84 2jqt s ASP 32 Cb -0.10 -0.81 1.26 0.00 -1.46 0.00 0.00 42.92 41.81 2jqt s ASP 32 CO 0.62 -0.28 1.99 -0.78 0.52 0.00 0.00 175.17 177.24 2jqt h ASP 33 N 1.50 0.00 -0.39 -0.34 3.58 -2.01 -3.06 116.42 115.71 2jqt h ASP 33 Ca -0.44 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.06 2jqt h ASP 33 Cb 1.25 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.25 2jqt h ASP 33 CO 0.62 0.16 0.09 -0.61 -2.88 0.00 0.00 179.24 176.63 2jqt h GLN 34 N 0.00 0.22 -0.37 0.28 4.15 -1.99 -1.14 115.11 116.26 2jqt h GLN 34 Ca -0.00 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.45 2jqt h GLN 34 Cb 0.48 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2jqt h GLN 34 CO 0.02 0.15 0.25 1.05 -1.93 0.00 0.00 178.83 178.37 2jqt h GLU 35 N 0.23 0.29 0.23 1.69 4.11 -1.89 0.16 114.58 119.41 2jqt h GLU 35 Ca 0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 2jqt h GLU 35 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jqt h GLU 35 CO -0.23 0.19 -0.11 -0.07 0.07 0.00 0.00 179.01 178.86 2jqt h LEU 36 N 0.30 -0.27 -1.45 3.06 3.38 -1.35 0.15 115.31 119.12 2jqt h LEU 36 Ca 0.16 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2jqt h LEU 36 Cb 0.27 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jqt h LEU 36 CO -0.03 0.14 -0.28 -0.29 0.09 0.00 0.00 178.44 178.07 2jqt h ILE 37 N -0.73 1.12 0.05 1.22 2.10 -1.05 -1.31 117.51 118.92 2jqt h ILE 37 Ca -0.03 -0.97 -0.00 0.00 1.08 0.00 0.00 64.86 64.93 2jqt h ILE 37 Cb 0.49 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2jqt h ILE 37 CO 0.05 0.27 -0.02 0.78 -1.08 0.00 0.00 178.15 178.15 2jqt h ASN 38 N 0.00 -0.06 0.05 2.19 2.35 -0.65 -2.48 115.58 116.99 2jqt h ASN 38 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2jqt h ASN 38 Cb 0.51 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2jqt h ASN 38 CO 0.04 0.66 -0.05 0.24 -1.65 0.00 0.00 177.43 176.66 2jqt h MET 39 N -0.87 -0.12 -0.44 0.81 2.86 -0.66 0.28 114.93 116.79 2jqt h MET 39 Ca -0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2jqt h MET 39 Cb 0.65 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 2jqt h MET 39 CO 0.01 -0.08 0.29 -0.92 1.06 0.00 0.00 176.91 177.28 2jqt h TYR 40 N -0.12 0.55 -0.08 -0.22 5.03 -1.37 0.46 116.97 121.21 2jqt h TYR 40 Ca 0.01 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.18 2jqt h TYR 40 Cb 0.12 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.22 2jqt h TYR 40 CO -0.10 0.34 -0.53 0.00 -1.32 0.00 0.00 178.16 176.55 2jqt h ARG 41 N 0.59 0.49 -0.08 1.82 3.08 -0.93 -2.09 114.38 117.26 2jqt h ARG 41 Ca 0.16 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2jqt h ARG 41 Cb -0.05 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2jqt h ARG 41 CO -0.04 1.06 -0.09 0.00 -1.07 0.00 0.00 179.97 179.84 2jqt h ALA 42 N 0.44 0.12 -0.34 0.04 0.00 -0.02 -2.06 119.26 117.44 2jqt h ALA 42 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jqt h ALA 42 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jqt h ALA 42 CO 0.11 -0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.51 2jqt h ALA 43 N 0.55 0.43 -0.26 0.00 0.00 -0.21 0.32 119.26 120.09 2jqt h ALA 43 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jqt h ALA 43 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jqt h ALA 43 CO 0.02 -0.13 0.16 0.22 0.00 0.00 0.00 179.25 179.52 2jqt h ASP 44 N 0.43 0.31 -0.29 0.00 1.82 -1.42 0.20 116.42 117.47 2jqt h ASP 44 Ca 0.13 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2jqt h ASP 44 Cb -0.03 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 2jqt h ASP 44 CO -0.04 0.26 -0.13 -0.74 -1.61 0.00 0.00 179.24 176.97 2jqt h HIS 45 N 0.33 0.79 -0.23 0.28 2.76 -1.14 -2.13 115.15 115.81 2jqt h HIS 45 Ca 0.09 -0.15 -0.07 0.00 -2.20 0.00 0.00 60.37 58.04 2jqt h HIS 45 Cb 0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2jqt h HIS 45 CO -0.05 0.81 -0.14 -0.09 -1.30 0.00 0.00 177.93 177.17 2jqt h ARG 46 N 0.65 0.50 0.88 5.26 9.65 -0.02 -1.30 114.38 130.00 2jqt h ARG 46 Ca 0.11 -0.23 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 2jqt h ARG 46 Cb 0.60 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.18 2jqt h ARG 46 CO 0.04 0.79 -0.43 -0.09 2.80 0.00 0.00 179.97 183.08 2jqt h ARG 47 N 0.21 -1.15 -0.63 0.20 9.65 -0.52 0.32 114.38 122.47 2jqt h ARG 47 Ca 0.05 0.08 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2jqt h ARG 47 Cb 0.65 0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 29.45 2jqt h ARG 47 CO 0.04 -0.77 0.42 0.00 2.80 0.00 0.00 179.97 182.46 2jqt h ALA 48 N -1.06 1.81 -0.04 2.80 0.00 -1.47 0.14 119.26 121.44 2jqt h ALA 48 Ca -0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2jqt h ALA 48 Cb 0.91 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jqt h ALA 48 CO 0.20 0.08 -0.68 0.93 0.00 0.00 0.00 179.25 179.78 2jqt h GLU 49 N 0.60 0.18 -0.03 0.00 4.39 -0.97 -0.66 114.58 118.09 2jqt h GLU 49 Ca 0.27 -0.14 -0.20 0.00 0.34 0.00 0.00 59.36 59.63 2jqt h GLU 49 Cb 0.30 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2jqt h GLU 49 CO -0.08 0.79 -0.84 1.25 -1.16 0.00 0.00 179.01 178.96 2jqt h LEU 50 N 0.12 0.46 0.00 1.33 5.85 0.11 -3.19 115.31 119.99 2jqt h LEU 50 Ca -0.01 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 2jqt h LEU 50 Cb 1.21 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jqt h LEU 50 CO 0.10 1.12 -0.50 0.58 -0.34 0.00 0.00 178.44 179.40 2jqt h VAL 51 N 0.23 0.30 -0.79 1.05 2.07 -1.00 -3.28 116.25 114.82 2jqt h VAL 51 Ca -0.05 -1.45 -0.39 0.00 0.82 0.00 0.00 66.70 65.62 2jqt h VAL 51 Cb 1.45 2.02 -0.23 0.00 -1.52 0.00 0.00 31.29 33.01 2jqt h VAL 51 CO 0.14 0.17 0.50 -0.24 0.02 0.00 0.00 177.57 178.16 2jqt n SER 52 N -3.03 3.72 0.00 0.57 2.88 -0.26 -4.96 113.62 112.54 2jqt n SER 52 Ca 0.01 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2jqt n SER 52 Cb 0.63 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2jqt n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jqt n GLY 53 N -0.74 3.06 0.00 0.46 0.00 -1.22 -4.98 105.19 101.77 2jqt n GLY 53 Ca 0.47 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2jqt n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqt n GLY 54 N 0.75 1.03 3.32 -0.02 0.00 -1.26 -4.27 105.19 104.73 2jqt n GLY 54 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2jqt n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jqt s ARG 55 N 0.00 1.39 0.00 1.61 3.03 -1.26 -4.97 118.95 118.75 2jqt s ARG 55 Ca 0.00 -1.74 0.00 0.00 2.03 0.00 0.00 55.73 56.02 2jqt s ARG 55 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 34.95 33.60 2jqt s ARG 55 CO 0.00 -0.26 0.03 -0.11 -1.13 0.00 0.00 175.30 173.83 2jqt n LEU 56 N -0.45 0.66 0.00 -1.89 7.94 -1.26 -5.29 117.00 116.70 2jqt n LEU 56 Ca -0.01 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 2jqt n LEU 56 Cb 0.66 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.22 2jqt n LEU 56 CO 0.37 -0.39 0.00 0.33 -1.11 0.00 0.00 177.39 176.60