#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 0.00-10.01 -4.34 3.17 -1.04 -1.26 -5.05 114.28 95.74 2jqt n THR 2 Ca 0.00 -0.32 -0.19 0.00 -2.04 0.00 0.00 64.05 61.49 2jqt n THR 2 Cb 0.00 -6.87 -0.09 0.00 -1.82 0.00 0.00 70.33 61.55 2jqt n THR 2 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2jqt s VAL 3 N -3.03 0.31 0.76 12.58 -7.23 -1.26 -5.17 120.40 117.36 2jqt s VAL 3 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2jqt s VAL 3 Cb -0.00 -2.50 0.13 0.00 0.56 0.00 0.00 36.38 34.57 2jqt s VAL 3 CO 0.74 0.00 1.04 -1.10 -0.31 0.00 0.00 175.10 175.48 2jqt s GLN 4 N -3.77 1.55 -0.47 4.82 -0.21 -1.26 -5.00 119.66 115.32 2jqt s GLN 4 Ca 0.35 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 54.82 2jqt s GLN 4 Cb 0.04 -2.25 0.62 0.00 1.00 0.00 0.00 33.01 32.43 2jqt s GLN 4 CO 0.18 -1.58 1.89 -0.25 -2.12 0.00 0.00 175.29 173.41 2jqt n ASP 5 N -2.98 4.25 0.26 5.90 8.00 -1.26 -4.55 116.55 126.17 2jqt n ASP 5 Ca 0.15 -3.66 0.11 0.00 0.71 0.00 0.00 54.79 52.09 2jqt n ASP 5 Cb 0.60 -0.84 0.69 0.00 -0.02 0.00 0.00 41.12 41.56 2jqt n ASP 5 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2jqt h TYR 6 N 1.17 0.00 -0.44 1.24 0.05 -2.03 -2.21 116.97 114.76 2jqt h TYR 6 Ca 0.59 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.50 2jqt h TYR 6 Cb 2.44 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 40.16 2jqt h TYR 6 CO 1.52 0.11 0.31 1.37 -1.05 0.00 0.00 178.16 180.42 2jqt h LEU 7 N 0.00 0.02 -1.50 3.88 -0.00 -2.01 0.17 115.31 115.89 2jqt h LEU 7 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2jqt h LEU 7 Cb 0.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2jqt h LEU 7 CO 0.01 0.01 0.16 -0.07 -0.00 0.00 0.00 178.44 178.56 2jqt h LEU 8 N 0.03 0.44 -0.21 0.17 4.07 -1.77 0.15 115.31 118.18 2jqt h LEU 8 Ca 0.21 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 2jqt h LEU 8 Cb 0.80 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2jqt h LEU 8 CO -0.01 0.39 -0.40 0.11 -1.08 0.00 0.00 178.44 177.45 2jqt h LYS 9 N 0.50 0.65 0.10 1.13 1.79 -1.13 -2.33 116.57 117.28 2jqt h LYS 9 Ca 0.13 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 2jqt h LYS 9 Cb 0.08 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2jqt h LYS 9 CO -0.02 1.03 -0.05 0.74 -1.08 0.00 0.00 179.45 180.07 2jqt h PHE 10 N 0.34 -0.13 -0.09 -1.35 0.04 -1.35 -3.08 116.94 111.33 2jqt h PHE 10 Ca 0.01 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2jqt h PHE 10 Cb 1.00 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2jqt h PHE 10 CO 0.09 0.31 0.11 0.07 -0.60 0.00 0.00 178.31 178.29 2jqt h ARG 11 N -0.63 0.00 -0.48 1.51 -0.00 -0.80 -1.37 114.38 112.60 2jqt h ARG 11 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 59.98 60.11 2jqt h ARG 11 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.45 2jqt h ARG 11 CO 0.02 0.00 0.39 -0.22 -0.00 0.00 0.00 179.97 180.16 2jqt h LYS 12 N 0.00 0.00 -6.48 0.08 1.63 -1.31 -3.41 116.57 107.08 2jqt h LYS 12 Ca 0.04 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.31 2jqt h LYS 12 Cb 0.26 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2jqt h LYS 12 CO -0.00 0.00 0.95 0.42 -3.45 0.00 0.00 179.45 177.37 2jqt s ILE 13 N -4.88 2.99 -0.65 2.00 1.01 -0.52 -4.89 121.20 116.27 2jqt s ILE 13 Ca -0.05 0.53 0.15 0.00 0.00 0.00 0.00 60.65 61.28 2jqt s ILE 13 Cb 0.18 -3.34 0.50 0.00 0.01 0.00 0.00 42.46 39.81 2jqt s ILE 13 CO 0.67 0.01 1.41 -1.20 0.00 0.00 0.00 174.94 175.83 2jqt n SER 14 N 5.17 3.78 -3.93 3.58 7.64 -1.26 -4.95 113.62 123.63 2jqt n SER 14 Ca 0.15 -2.53 -0.17 0.00 1.01 0.00 0.00 58.87 57.33 2jqt n SER 14 Cb 0.40 -0.44 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 2jqt n SER 14 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqt s SER 15 N -1.35 0.66 0.34 6.43 0.01 -1.26 -5.03 113.70 113.50 2jqt s SER 15 Ca 0.37 -0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.64 2jqt s SER 15 Cb 0.26 -0.15 0.62 0.00 0.21 0.00 0.00 66.02 66.96 2jqt s SER 15 CO 0.15 0.03 1.78 -0.07 0.41 0.00 0.00 173.24 175.54 2jqt h LEU 16 N 6.35 0.11 0.05 2.44 -0.00 -2.01 -3.09 115.31 119.15 2jqt h LEU 16 Ca -0.32 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2jqt h LEU 16 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2jqt h LEU 16 CO 0.49 0.47 -0.02 -0.08 -0.00 0.00 0.00 178.44 179.31 2jqt h GLU 17 N 0.09 -0.06 -0.07 1.13 4.57 -2.02 -2.05 114.58 116.17 2jqt h GLU 17 Ca 0.01 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2jqt h GLU 17 Cb 0.70 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2jqt h GLU 17 CO 0.05 -0.04 0.06 1.03 -1.18 0.00 0.00 179.01 178.94 2jqt h SER 18 N -0.07 0.00 0.09 1.04 0.87 -1.98 -2.56 113.55 110.95 2jqt h SER 18 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2jqt h SER 18 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2jqt h SER 18 CO 0.01 0.00 -0.16 0.25 -0.53 0.00 0.00 176.83 176.40 2jqt h LEU 19 N 0.00 -0.45 -1.63 2.23 5.85 -1.33 -1.32 115.31 118.66 2jqt h LEU 19 Ca 0.03 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2jqt h LEU 19 Cb 0.15 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2jqt h LEU 19 CO -0.00 -0.23 -0.19 1.05 -0.34 0.00 0.00 178.44 178.73 2jqt h GLU 20 N -0.31 0.00 0.05 1.25 4.11 -1.45 -2.01 114.58 116.21 2jqt h GLU 20 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 2jqt h GLU 20 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jqt h GLU 20 CO -0.09 0.19 -0.02 0.87 0.07 0.00 0.00 179.01 180.02 2jqt h LYS 21 N 0.00 -0.06 -0.20 1.06 6.56 -1.24 -1.95 116.57 120.74 2jqt h LYS 21 Ca -0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2jqt h LYS 21 Cb 0.33 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 2jqt h LYS 21 CO 0.02 0.19 -0.15 1.25 -2.06 0.00 0.00 179.45 178.71 2jqt h LEU 22 N -0.31 0.32 0.79 2.94 6.46 -1.06 0.57 115.31 125.01 2jqt h LEU 22 Ca -0.01 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 2jqt h LEU 22 Cb 0.28 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2jqt h LEU 22 CO 0.01 0.50 -0.38 0.22 -0.62 0.00 0.00 178.44 178.17 2jqt h TYR 23 N 0.31 -0.98 0.00 1.25 5.03 -1.22 -2.33 116.97 119.03 2jqt h TYR 23 Ca 0.06 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 2jqt h TYR 23 Cb 0.45 0.32 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 2jqt h TYR 23 CO 0.01 -0.60 -0.33 0.22 -1.32 0.00 0.00 178.16 176.14 2jqt h ASP 24 N -1.22 0.00 0.29 -2.11 3.58 -1.33 -1.41 116.42 114.22 2jqt h ASP 24 Ca -0.11 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2jqt h ASP 24 Cb 0.82 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2jqt h ASP 24 CO 0.18 0.33 -0.20 0.45 -2.88 0.00 0.00 179.24 177.12 2jqt h HIS 25 N 0.00 -0.52 0.00 0.28 3.86 -0.80 0.27 115.15 118.24 2jqt h HIS 25 Ca -0.00 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 2jqt h HIS 25 Cb 0.59 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 2jqt h HIS 25 CO 0.00 -0.31 -0.61 1.25 0.86 0.00 0.00 177.93 179.12 2jqt h LEU 26 N -0.48 0.00 -1.20 2.43 5.85 -1.35 -2.63 115.31 117.93 2jqt h LEU 26 Ca -0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2jqt h LEU 26 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jqt h LEU 26 CO 0.01 0.61 -0.29 -1.13 -0.34 0.00 0.00 178.44 177.30 2jqt h ASN 27 N 0.00 0.00 0.68 1.25 -1.24 -0.97 -2.40 115.58 112.89 2jqt h ASN 27 Ca -0.01 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 2jqt h ASN 27 Cb 1.16 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.18 2jqt h ASN 27 CO 0.08 0.29 -1.46 0.22 -1.29 0.00 0.00 177.43 175.28 2jqt h TYR 28 N 0.00 0.00 0.00 0.67 5.03 -0.82 -3.13 116.97 118.72 2jqt h TYR 28 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jqt h TYR 28 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.01 2jqt h TYR 28 CO 0.00 0.73 0.00 0.25 -1.32 0.00 0.00 178.16 177.82 2jqt n THR 29 N -2.97 0.00 -0.15 1.81 -2.24 -1.00 -4.56 114.28 105.16 2jqt n THR 29 Ca -0.11 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2jqt n THR 29 Cb 0.91 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 2jqt n THR 29 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jqt h LEU 30 N 0.00 0.74 1.94 3.22 3.38 -1.69 -3.46 115.31 119.43 2jqt h LEU 30 Ca 0.00 -0.29 -0.40 0.00 0.09 0.00 0.00 57.88 57.28 2jqt h LEU 30 Cb 0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 2jqt h LEU 30 CO 0.00 0.85 -0.44 0.41 0.09 0.00 0.00 178.44 179.35 2jqt n THR 31 N -4.42 -0.50 -3.79 0.22 -1.04 -1.15 -4.98 114.28 98.63 2jqt n THR 31 Ca -0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2jqt n THR 31 Cb 0.28 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.36 2jqt n THR 31 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2jqt s ASP 32 N -2.43 6.01 0.49 8.00 1.47 -1.26 -5.00 116.67 123.94 2jqt s ASP 32 Ca 0.00 -0.11 0.26 0.00 1.18 0.00 0.00 52.55 53.88 2jqt s ASP 32 Cb 0.00 -1.50 1.26 0.00 -0.34 0.00 0.00 42.92 42.34 2jqt s ASP 32 CO 0.00 -0.22 1.98 -0.78 0.68 0.00 0.00 175.17 176.83 2jqt h ASP 33 N 1.11 0.00 -0.31 2.11 1.82 -2.00 -3.06 116.42 116.09 2jqt h ASP 33 Ca -0.49 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.20 2jqt h ASP 33 Cb 1.24 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.21 2jqt h ASP 33 CO 0.58 0.16 0.06 -0.61 -1.61 0.00 0.00 179.24 177.82 2jqt h GLN 34 N 0.00 0.16 -0.22 0.28 5.75 -2.00 -1.23 115.11 117.84 2jqt h GLN 34 Ca -0.00 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2jqt h GLN 34 Cb 0.48 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2jqt h GLN 34 CO 0.02 0.11 0.15 1.05 -2.65 0.00 0.00 178.83 177.51 2jqt h GLU 35 N 0.16 0.20 0.32 1.69 4.11 -1.91 -1.07 114.58 118.08 2jqt h GLU 35 Ca 0.14 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 2jqt h GLU 35 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2jqt h GLU 35 CO -0.20 0.13 -0.15 1.25 0.07 0.00 0.00 179.01 180.11 2jqt h LEU 36 N 0.21 -0.36 -1.60 3.06 6.46 -1.34 -1.70 115.31 120.04 2jqt h LEU 36 Ca 0.09 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 2jqt h LEU 36 Cb 0.12 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2jqt h LEU 36 CO -0.02 -0.06 -0.17 -0.29 -0.62 0.00 0.00 178.44 177.28 2jqt h ILE 37 N -0.67 1.14 0.29 4.05 2.10 -1.10 -0.80 117.51 122.52 2jqt h ILE 37 Ca -0.04 -0.64 -0.01 0.00 1.08 0.00 0.00 64.86 65.24 2jqt h ILE 37 Cb 0.47 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2jqt h ILE 37 CO 0.07 0.19 -0.14 -1.13 -1.08 0.00 0.00 178.15 176.06 2jqt h ASN 38 N 0.05 -0.33 0.32 2.19 -0.73 -1.07 -2.57 115.58 113.44 2jqt h ASN 38 Ca 0.01 -0.17 -0.07 0.00 1.87 0.00 0.00 56.30 57.94 2jqt h ASN 38 Cb 0.32 0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.99 2jqt h ASN 38 CO 0.02 0.01 -0.33 0.24 -0.37 0.00 0.00 177.43 177.01 2jqt h MET 39 N -0.70 0.02 0.26 6.67 2.86 -1.18 -2.70 114.93 120.15 2jqt h MET 39 Ca -0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2jqt h MET 39 Cb 0.48 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jqt h MET 39 CO 0.06 0.34 -0.12 -0.92 1.06 0.00 0.00 176.91 177.34 2jqt h TYR 40 N 0.02 -0.32 -0.07 -0.22 5.03 -1.08 0.83 116.97 121.16 2jqt h TYR 40 Ca -0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jqt h TYR 40 Cb 0.59 0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.97 2jqt h TYR 40 CO 0.00 -0.17 0.04 0.00 -1.32 0.00 0.00 178.16 176.71 2jqt h ARG 41 N -0.39 0.09 -0.65 1.82 -0.00 -1.38 0.66 114.38 114.53 2jqt h ARG 41 Ca -0.04 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.37 2jqt h ARG 41 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.22 2jqt h ARG 41 CO 0.06 0.11 0.15 0.00 0.00 0.00 0.00 179.97 180.29 2jqt h ALA 42 N 0.97 0.86 -0.05 0.04 0.00 -1.42 -0.19 119.26 119.48 2jqt h ALA 42 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jqt h ALA 42 Cb 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jqt h ALA 42 CO -0.00 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2jqt h ALA 43 N 1.06 0.07 0.12 0.00 0.00 0.89 -1.04 119.26 120.35 2jqt h ALA 43 Ca 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jqt h ALA 43 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jqt h ALA 43 CO 0.00 -0.15 -0.07 -0.44 0.00 0.00 0.00 179.25 178.60 2jqt h ASP 44 N -0.34 -0.16 -0.25 0.00 5.19 0.37 0.25 116.42 121.49 2jqt h ASP 44 Ca 0.01 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2jqt h ASP 44 Cb 0.54 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 2jqt h ASP 44 CO 0.01 -0.11 0.16 0.45 -3.12 0.00 0.00 179.24 176.64 2jqt h HIS 45 N -0.17 0.31 0.16 4.55 3.86 -1.10 0.30 115.15 123.06 2jqt h HIS 45 Ca -0.01 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2jqt h HIS 45 Cb 0.14 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2jqt h HIS 45 CO -0.08 0.20 -0.08 -0.09 0.86 0.00 0.00 177.93 178.75 2jqt h ARG 46 N 0.33 -0.21 -0.20 2.45 9.65 -1.03 0.30 114.38 125.68 2jqt h ARG 46 Ca 0.09 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2jqt h ARG 46 Cb -0.04 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2jqt h ARG 46 CO -0.02 -0.10 0.12 -0.09 2.80 0.00 0.00 179.97 182.69 2jqt h ARG 47 N -0.26 0.27 -0.73 0.20 9.65 -0.38 0.19 114.38 123.33 2jqt h ARG 47 Ca -0.02 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 2jqt h ARG 47 Cb 0.20 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 2jqt h ARG 47 CO 0.04 0.22 0.34 0.00 2.80 0.00 0.00 179.97 183.37 2jqt h ALA 48 N 1.04 0.94 -0.02 2.80 0.00 -0.30 -1.17 119.26 122.56 2jqt h ALA 48 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2jqt h ALA 48 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jqt h ALA 48 CO -0.01 0.51 -0.51 0.93 0.00 0.00 0.00 179.25 180.17 2jqt h GLU 49 N 1.03 0.05 0.00 0.00 5.08 -0.13 0.33 114.58 120.94 2jqt h GLU 49 Ca 0.25 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2jqt h GLU 49 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2jqt h GLU 49 CO -0.03 0.55 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.87 2jqt h LEU 50 N 0.04 0.00 0.04 1.33 3.38 -0.12 0.19 115.31 120.17 2jqt h LEU 50 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2jqt h LEU 50 Cb 0.92 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2jqt h LEU 50 CO 0.07 0.59 -1.91 0.55 0.09 0.00 0.00 178.44 177.83 2jqt n VAL 51 N -3.53 1.61 -1.35 1.22 3.14 -0.49 -4.42 118.33 114.51 2jqt n VAL 51 Ca -0.00 -0.37 -0.10 0.00 -2.96 0.00 0.00 64.34 60.91 2jqt n VAL 51 Cb 0.66 -1.82 0.20 0.00 -1.06 0.00 0.00 33.84 31.82 2jqt n VAL 51 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2jqt n SER 52 N -3.93 3.02 -1.09 6.55 3.41 0.11 -5.08 113.62 116.62 2jqt n SER 52 Ca -0.38 -3.68 0.14 0.00 -0.26 0.00 0.00 58.87 54.69 2jqt n SER 52 Cb 0.88 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2jqt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jqt n GLY 53 N -1.06 -1.49 0.00 5.00 0.00 0.67 -4.85 105.19 103.45 2jqt n GLY 53 Ca 0.41 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.33 4.02 2.55 -0.02 0.00 -1.23 -4.21 105.19 102.98 2jqt n GLY 54 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 2jqt n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqt n ARG 55 N 0.00 -4.26 -0.04 1.61 0.63 -1.26 -5.01 116.66 108.32 2jqt n ARG 55 Ca 0.00 3.25 -0.06 0.00 -0.92 0.00 0.00 57.85 60.12 2jqt n ARG 55 Cb 0.00 -4.91 -0.05 0.00 0.45 0.00 0.00 32.46 27.95 2jqt n ARG 55 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jqt n LEU 56 N 1.50 1.92 0.00 6.15 4.77 -1.26 -5.28 117.00 124.79 2jqt n LEU 56 Ca -0.36 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2jqt n LEU 56 Cb 0.55 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2jqt n LEU 56 CO 0.39 0.49 0.11 0.49 -1.33 0.00 0.00 177.39 177.54