#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v32 s SER 2 N 0.00 -0.34 0.12 1.61 0.15 -1.26 -5.10 113.70 108.88 1v32 s SER 2 Ca 0.00 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1v32 s SER 2 Cb 0.00 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1v32 s SER 2 CO 0.00 -1.25 0.00 -1.20 1.20 0.00 0.00 173.24 171.99 1v32 n SER 3 N -0.44 0.77 0.00 5.45 7.64 -1.26 -5.17 113.62 120.61 1v32 n SER 3 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1v32 n SER 3 Cb 0.61 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1v32 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v32 n GLY 4 N 3.08 -0.46 3.60 0.23 0.00 -1.26 -5.17 105.19 105.20 1v32 n GLY 4 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 1v32 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v32 s SER 5 N -4.00 -0.04 0.24 1.61 0.01 -1.26 -5.10 113.70 105.16 1v32 s SER 5 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1v32 s SER 5 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1v32 s SER 5 CO 0.00 -0.12 0.00 -0.24 0.41 0.00 0.00 173.24 173.29 1v32 n SER 6 N -0.26 0.23 0.00 2.44 2.88 -1.26 -5.18 113.62 112.47 1v32 n SER 6 Ca -0.03 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1v32 n SER 6 Cb 0.60 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.24 1v32 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v32 n GLY 7 N 2.14 2.51 3.56 0.46 0.00 -1.26 -5.14 105.19 107.47 1v32 n GLY 7 Ca 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1v32 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v32 s LYS 8 N -3.29 1.27 -0.09 1.61 -0.14 -1.26 -5.17 119.74 112.66 1v32 s LYS 8 Ca 0.00 -0.55 -0.07 0.00 -1.36 0.00 0.00 55.97 53.99 1v32 s LYS 8 Cb 0.00 0.53 0.03 0.00 -1.68 0.00 0.00 37.83 36.71 1v32 s LYS 8 CO 0.00 -0.56 0.24 1.03 -0.76 0.00 0.00 175.35 175.29 1v32 s ARG 9 N -3.59 0.25 0.50 1.68 1.81 -1.26 -5.12 118.95 113.22 1v32 s ARG 9 Ca 0.05 0.39 0.00 0.00 -1.72 0.00 0.00 55.73 54.45 1v32 s ARG 9 Cb -0.02 0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1v32 s ARG 9 CO -0.07 -0.08 0.00 0.34 -0.68 0.00 0.00 175.30 174.82 1v32 n PHE 10 N 3.38 -3.47 -1.30 -0.53 7.35 -1.26 -5.00 117.46 116.62 1v32 n PHE 10 Ca -0.17 1.86 0.15 0.00 -0.76 0.00 0.00 57.45 58.53 1v32 n PHE 10 Cb 0.57 -3.16 -0.07 0.00 0.35 0.00 0.00 39.48 37.16 1v32 n PHE 10 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1v32 n GLU 11 N -4.15 -2.75 -0.77 -4.13 2.13 -1.26 -4.81 120.64 104.91 1v32 n GLU 11 Ca -0.06 2.20 -0.33 0.00 0.66 0.00 0.00 57.16 59.63 1v32 n GLU 11 Cb 0.62 -3.32 0.13 0.00 0.27 0.00 0.00 31.44 29.14 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1v32 n PHE 12 N -4.08 -1.45 -3.17 4.31 3.01 -1.26 -4.89 117.46 109.93 1v32 n PHE 12 Ca -0.07 0.21 -0.44 0.00 1.01 0.00 0.00 57.45 58.17 1v32 n PHE 12 Cb 0.60 -1.74 0.00 0.00 -0.01 0.00 0.00 39.48 38.33 1v32 n PHE 12 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v32 n VAL 13 N -3.75 4.87 0.00 -4.37 0.31 -1.10 -4.87 118.33 109.41 1v32 n VAL 13 Ca 0.06 -5.56 0.00 0.00 -0.01 0.00 0.00 64.34 58.82 1v32 n VAL 13 Cb 0.55 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1v32 n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v32 n GLY 14 N 2.19 1.40 0.42 2.92 0.00 -1.26 -3.75 105.19 107.11 1v32 n GLY 14 Ca 0.26 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 1v32 n GLY 14 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1v32 n TRP 15 N 0.00 0.00 -4.18 1.61 4.27 -1.26 -4.99 117.44 112.89 1v32 n TRP 15 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 1v32 n TRP 15 Cb 0.00 -0.11 -0.08 0.00 -1.36 0.00 0.00 31.31 29.76 1v32 n TRP 15 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1v32 s GLY 16 N -4.64 1.81 0.76 -1.67 0.00 -1.25 -1.52 107.32 100.82 1v32 s GLY 16 Ca -0.04 -1.25 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 1v32 s GLY 16 CO 0.06 -1.25 1.16 -1.26 0.00 0.00 0.00 173.10 171.82 1v32 n SER 17 N 0.27 1.10 -0.25 1.64 2.88 -1.26 -2.70 113.62 115.31 1v32 n SER 17 Ca -0.11 0.65 0.05 0.00 -1.33 0.00 0.00 58.87 58.13 1v32 n SER 17 Cb 0.53 -1.49 0.18 0.00 -0.75 0.00 0.00 64.21 62.68 1v32 n SER 17 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1v32 h ARG 18 N -0.48 0.39 -0.43 -1.46 2.43 -1.92 0.21 114.38 113.13 1v32 h ARG 18 Ca -0.47 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1v32 h ARG 18 Cb 1.31 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 1v32 h ARG 18 CO 0.47 0.26 -0.42 1.96 -1.51 0.00 0.00 179.97 180.73 1v32 h GLN 19 N 0.40 -0.21 0.22 0.20 4.20 -1.89 1.41 115.11 119.45 1v32 h GLN 19 Ca 0.40 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 1v32 h GLN 19 Cb 0.62 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1v32 h GLN 19 CO -0.42 -0.14 -0.11 1.25 -0.67 0.00 0.00 178.83 178.75 1v32 h LEU 20 N -0.21 -0.26 -0.05 1.46 5.85 -1.72 -2.21 115.31 118.17 1v32 h LEU 20 Ca 0.07 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1v32 h LEU 20 Cb 0.40 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1v32 h LEU 20 CO -0.51 -0.09 -0.06 0.40 -0.34 0.00 0.00 178.44 177.84 1v32 h ILE 21 N -0.41 0.00 -0.86 4.05 1.08 0.24 0.21 117.51 121.82 1v32 h ILE 21 Ca -0.03 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 1v32 h ILE 21 Cb 0.32 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.96 1v32 h ILE 21 CO 0.05 0.00 -0.50 1.21 -0.69 0.00 0.00 178.15 178.22 1v32 n GLU 22 N -3.03 -0.38 -0.33 2.37 0.00 0.48 0.16 120.64 119.90 1v32 n GLU 22 Ca -0.00 1.40 0.20 0.00 0.00 0.00 0.00 57.16 58.75 1v32 n GLU 22 Cb 0.04 -2.06 0.41 0.00 0.00 0.00 0.00 31.44 29.83 1v32 n GLU 22 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1v32 h PHE 23 N 0.00 0.90 -0.10 4.31 3.57 -0.70 0.80 116.94 125.72 1v32 h PHE 23 Ca 0.14 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 1v32 h PHE 23 Cb 0.35 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.86 1v32 h PHE 23 CO -0.98 -0.07 -0.83 -0.07 -2.23 0.00 0.00 178.31 174.12 1v32 h LEU 24 N 0.42 0.82 -0.07 0.59 3.38 0.44 -2.53 115.31 118.36 1v32 h LEU 24 Ca 0.67 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1v32 h LEU 24 Cb 1.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1v32 h LEU 24 CO -0.55 1.35 0.04 0.45 0.09 0.00 0.00 178.44 179.82 1v32 h HIS 25 N 0.44 0.10 0.34 1.13 3.86 0.74 0.27 115.15 122.02 1v32 h HIS 25 Ca -0.06 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1v32 h HIS 25 Cb 1.45 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 1v32 h HIS 25 CO 0.08 0.11 -0.30 1.03 0.86 0.00 0.00 177.93 179.72 1v32 h SER 26 N 0.05 -0.80 -1.43 2.45 0.87 0.22 -0.57 113.55 114.34 1v32 h SER 26 Ca 0.03 0.06 0.41 0.00 -1.23 0.00 0.00 61.79 61.06 1v32 h SER 26 Cb 0.05 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 1v32 h SER 26 CO -0.00 -0.41 1.18 -0.07 -0.53 0.00 0.00 176.83 176.99 1v32 h LEU 27 N -0.62 0.00 0.00 2.23 3.38 -1.43 -3.43 115.31 115.44 1v32 h LEU 27 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1v32 h LEU 27 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1v32 h LEU 27 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1v32 n GLY 28 N -1.80 0.90 1.57 0.83 0.00 -0.22 -5.08 105.19 101.39 1v32 n GLY 28 Ca 0.32 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1v32 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v32 n LYS 29 N -2.16 -3.24 -3.83 1.61 4.76 0.87 -4.97 118.16 111.20 1v32 n LYS 29 Ca 0.00 -0.70 -0.35 0.00 -2.87 0.00 0.00 58.31 54.40 1v32 n LYS 29 Cb 0.01 -0.93 -0.12 0.00 -1.84 0.00 0.00 35.03 32.15 1v32 n LYS 29 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1v32 s ASP 30 N -2.48 5.06 -0.97 4.39 2.15 -1.26 -4.84 116.67 118.72 1v32 s ASP 30 Ca 0.32 -2.30 -0.04 0.00 0.43 0.00 0.00 52.55 50.96 1v32 s ASP 30 Cb -0.06 -1.77 0.24 0.00 -0.30 0.00 0.00 42.92 41.03 1v32 s ASP 30 CO 0.27 -0.45 0.91 0.35 -0.17 0.00 0.00 175.17 176.08 1v32 n THR 31 N 4.19 3.57 0.00 1.71 -2.24 -1.26 -4.86 114.28 115.39 1v32 n THR 31 Ca 0.02 -5.22 0.00 0.00 -2.27 0.00 0.00 64.05 56.58 1v32 n THR 31 Cb 0.40 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.19 1v32 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1v32 n SER 32 N 2.39 0.00 -0.03 3.42 7.64 -1.26 -4.82 113.62 120.96 1v32 n SER 32 Ca 0.23 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.12 1v32 n SER 32 Cb 0.38 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1v32 n SER 32 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1v32 n GLU 33 N -0.01 4.57 0.00 1.43 4.07 -1.26 -5.06 120.64 124.38 1v32 n GLU 33 Ca 0.00 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1v32 n GLU 33 Cb 0.00 -0.73 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 1v32 n GLU 33 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1v32 n MET 34 N -0.79 0.00 -3.88 5.31 1.56 -1.26 -4.64 117.12 113.41 1v32 n MET 34 Ca 0.01 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.35 1v32 n MET 34 Cb 0.05 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.35 1v32 n MET 34 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1v32 s ILE 35 N -2.00 0.14 -0.16 1.12 1.01 -1.26 -4.86 121.20 115.19 1v32 s ILE 35 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 60.65 59.26 1v32 s ILE 35 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1v32 s ILE 35 CO 0.00 -0.64 0.71 -0.94 0.00 0.00 0.00 174.94 174.07 1v32 s SER 36 N -2.62 6.84 0.63 3.58 1.04 -1.26 -4.91 113.70 117.00 1v32 s SER 36 Ca 0.02 1.02 0.27 0.00 0.48 0.00 0.00 55.95 57.74 1v32 s SER 36 Cb 0.03 -2.40 1.44 0.00 0.10 0.00 0.00 66.02 65.20 1v32 s SER 36 CO -0.09 -0.28 1.84 -0.09 0.98 0.00 0.00 173.24 175.60 1v32 h ARG 37 N 7.26 0.00 0.22 4.02 2.43 -1.96 0.46 114.38 126.82 1v32 h ARG 37 Ca -0.33 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.52 1v32 h ARG 37 Cb 1.15 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1v32 h ARG 37 CO 0.79 0.00 -1.42 -0.92 -1.51 0.00 0.00 179.97 176.91 1v32 h TYR 38 N 0.00 0.93 -0.73 2.20 5.03 -1.94 -2.43 116.97 120.02 1v32 h TYR 38 Ca 0.11 -0.66 -0.06 0.00 2.58 0.00 0.00 58.73 60.69 1v32 h TYR 38 Cb 1.03 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.24 1v32 h TYR 38 CO 0.00 1.51 0.21 -0.44 -1.32 0.00 0.00 178.16 178.13 1v32 h ASP 39 N 0.16 1.08 0.73 -2.11 5.19 -0.51 -1.31 116.42 119.65 1v32 h ASP 39 Ca -0.23 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 1v32 h ASP 39 Cb 2.11 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 41.34 1v32 h ASP 39 CO 0.26 1.01 -0.35 0.58 -3.12 0.00 0.00 179.24 177.63 1v32 h VAL 40 N 1.09 0.03 -0.56 -1.35 2.07 -1.36 -1.57 116.25 114.60 1v32 h VAL 40 Ca 0.23 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1v32 h VAL 40 Cb 0.33 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 1v32 h VAL 40 CO -0.00 0.00 -0.51 -1.28 0.02 0.00 0.00 177.57 175.80 1v32 h SER 41 N -1.25 -1.78 -0.66 0.57 0.87 -1.38 0.48 113.55 110.41 1v32 h SER 41 Ca -0.10 0.25 0.13 0.00 -1.23 0.00 0.00 61.79 60.84 1v32 h SER 41 Cb 0.76 0.75 -0.13 0.00 -0.44 0.00 0.00 62.40 63.35 1v32 h SER 41 CO 0.17 -0.31 -0.19 -0.78 -0.53 0.00 0.00 176.83 175.19 1v32 h ASP 42 N -0.23 -0.68 -0.80 6.23 1.82 -1.28 0.92 116.42 122.40 1v32 h ASP 42 Ca 0.09 0.20 0.09 0.00 -0.39 0.00 0.00 57.03 57.03 1v32 h ASP 42 Cb 0.47 0.43 -0.05 0.00 0.68 0.00 0.00 39.33 40.86 1v32 h ASP 42 CO -0.65 -0.23 0.52 0.74 -1.61 0.00 0.00 179.24 178.01 1v32 h THR 43 N -0.02 0.96 -0.05 2.25 2.02 0.43 0.88 112.91 119.37 1v32 h THR 43 Ca 0.31 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1v32 h THR 43 Cb 0.50 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1v32 h THR 43 CO -0.68 0.14 -0.03 0.40 0.37 0.00 0.00 175.52 175.71 1v32 h ILE 44 N 0.75 1.33 -0.89 3.11 2.04 0.51 0.28 117.51 124.64 1v32 h ILE 44 Ca 0.37 -1.05 0.11 0.00 1.00 0.00 0.00 64.86 65.28 1v32 h ILE 44 Cb 0.42 1.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 1v32 h ILE 44 CO -0.14 0.29 0.57 0.00 0.00 0.00 0.00 178.15 178.87 1v32 h ALA 45 N 0.60 1.69 0.04 1.87 0.00 0.79 0.63 119.26 124.88 1v32 h ALA 45 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1v32 h ALA 45 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1v32 h ALA 45 CO 0.01 0.10 -0.02 0.87 0.00 0.00 0.00 179.25 180.21 1v32 h LYS 46 N 0.82 -0.05 -0.42 0.00 1.57 -0.67 -2.95 116.57 114.87 1v32 h LYS 46 Ca 0.42 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 1v32 h LYS 46 Cb 0.50 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1v32 h LYS 46 CO -0.19 0.50 0.10 -0.92 -0.57 0.00 0.00 179.45 178.37 1v32 h TYR 47 N -0.64 0.16 -0.19 -1.35 3.20 0.47 0.91 116.97 119.54 1v32 h TYR 47 Ca -0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1v32 h TYR 47 Cb 0.57 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1v32 h TYR 47 CO 0.12 0.03 -0.46 0.82 -1.64 0.00 0.00 178.16 177.02 1v32 h ILE 48 N 0.23 0.09 -0.51 1.81 2.04 0.18 0.80 117.51 122.16 1v32 h ILE 48 Ca 0.21 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 1v32 h ILE 48 Cb 0.24 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1v32 h ILE 48 CO -0.26 0.00 0.06 0.28 0.00 0.00 0.00 178.15 178.23 1v32 h SER 49 N -0.48 0.77 0.14 1.72 0.02 -1.25 1.70 113.55 116.16 1v32 h SER 49 Ca 0.08 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1v32 h SER 49 Cb 0.63 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1v32 h SER 49 CO -0.45 0.80 -0.24 0.50 -1.14 0.00 0.00 176.83 176.30 1v32 h LYS 50 N 0.77 -0.44 0.00 3.45 1.63 0.28 -1.96 116.57 120.29 1v32 h LYS 50 Ca 0.16 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1v32 h LYS 50 Cb 0.38 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1v32 h LYS 50 CO 0.01 -0.30 -0.31 0.93 -3.45 0.00 0.00 179.45 176.33 1v32 h GLU 51 N -0.46 0.00 -0.14 1.90 4.39 0.73 -3.47 114.58 117.52 1v32 h GLU 51 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1v32 h GLU 51 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1v32 h GLU 51 CO -0.12 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 1v32 n GLY 52 N 0.81 1.16 0.16 -3.84 0.00 0.37 -4.96 105.19 98.90 1v32 n GLY 52 Ca 0.02 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1v32 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v32 h LEU 53 N 0.00 0.00 -9.49 0.99 4.07 0.17 -3.45 115.31 107.59 1v32 h LEU 53 Ca 0.00 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.46 1v32 h LEU 53 Cb 0.47 0.00 0.23 0.00 1.08 0.00 0.00 40.66 42.44 1v32 h LEU 53 CO 0.00 0.00 -1.34 0.18 -1.08 0.00 0.00 178.44 176.20 1v32 n LEU 54 N -2.46 -2.38 -4.48 1.67 4.77 -1.25 0.68 117.00 113.55 1v32 n LEU 54 Ca 0.02 0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.76 1v32 n LEU 54 Cb 0.29 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 1v32 n LEU 54 CO 0.24 -3.58 -0.47 -0.62 -1.33 0.00 0.00 177.39 171.63 1v32 s ASP 55 N -1.62 3.96 -0.01 -1.43 2.15 -1.25 -4.43 116.67 114.03 1v32 s ASP 55 Ca 0.50 -0.34 -0.21 0.00 0.43 0.00 0.00 52.55 52.93 1v32 s ASP 55 Cb -0.11 -0.72 -0.22 0.00 -0.30 0.00 0.00 42.92 41.56 1v32 s ASP 55 CO 0.69 0.28 1.11 1.55 -0.17 0.00 0.00 175.17 178.62 1v32 h PRO 56 N 4.68 0.32 -0.28 4.34 0.13 -1.96 -0.97 132.00 138.26 1v32 h PRO 56 Ca -0.47 -0.31 0.08 0.00 -0.87 0.00 0.00 66.00 64.42 1v32 h PRO 56 Cb 1.16 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1v32 h PRO 56 CO 0.49 0.99 0.28 1.03 -0.23 0.00 0.00 178.00 180.56 1v32 h SER 57 N -0.23 0.00 -0.42 1.44 0.87 -2.02 -3.38 113.55 109.82 1v32 h SER 57 Ca -0.04 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.71 1v32 h SER 57 Cb 1.11 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.88 1v32 h SER 57 CO 0.08 0.00 -0.04 0.21 -0.53 0.00 0.00 176.83 176.56 1v32 s ASN 58 N -5.80 -0.65 0.62 6.23 2.47 -1.19 -5.00 114.94 111.63 1v32 s ASN 58 Ca -0.05 0.18 0.39 0.00 0.42 0.00 0.00 52.86 53.80 1v32 s ASN 58 Cb 0.16 1.45 2.08 0.00 -1.45 0.00 0.00 41.25 43.50 1v32 s ASN 58 CO 0.58 -0.12 2.27 0.11 -3.72 0.00 0.00 177.10 176.22 1v32 h LYS 59 N 7.61 0.00 0.00 0.43 6.56 -1.36 0.43 116.57 130.23 1v32 h LYS 59 Ca -0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1v32 h LYS 59 Cb 1.18 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1v32 h LYS 59 CO -0.05 0.01 -0.02 0.87 -2.06 0.00 0.00 179.45 178.21 1v32 h LYS 60 N 0.00 0.00 0.00 3.15 1.79 -1.95 -3.42 116.57 116.15 1v32 h LYS 60 Ca -0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1v32 h LYS 60 Cb 0.12 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1v32 h LYS 60 CO 0.00 0.02 0.01 1.63 -1.08 0.00 0.00 179.45 180.04 1v32 n LYS 61 N -3.48 0.55 -3.84 3.15 5.02 0.14 -3.32 118.16 116.38 1v32 n LYS 61 Ca -0.03 -1.27 -0.12 0.00 -2.02 0.00 0.00 58.31 54.87 1v32 n LYS 61 Cb 0.12 -0.20 -0.12 0.00 -0.02 0.00 0.00 35.03 34.81 1v32 n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v32 s VAL 62 N -0.91 0.03 -0.53 -0.18 1.01 0.17 -3.97 120.40 116.02 1v32 s VAL 62 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1v32 s VAL 62 Cb -0.02 -0.27 0.14 0.00 0.00 0.00 0.00 36.38 36.23 1v32 s VAL 62 CO 0.18 -0.12 0.32 -0.69 0.00 0.00 0.00 175.10 174.79 1v32 s VAL 63 N -0.38 3.27 0.48 2.92 1.01 0.21 -1.30 120.40 126.62 1v32 s VAL 63 Ca -0.05 -2.78 -0.21 0.00 0.00 0.00 0.00 61.98 58.94 1v32 s VAL 63 Cb -0.03 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1v32 s VAL 63 CO 0.01 -0.80 0.67 0.00 0.00 0.00 0.00 175.10 174.98 1v32 n ASP 65 N 0.70 0.77 0.22 0.00 2.03 -1.26 -4.87 116.55 114.14 1v32 n ASP 65 Ca 0.11 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1v32 n ASP 65 Cb 0.43 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1v32 n ASP 65 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1v32 n LYS 66 N -3.45 0.00 -0.18 -0.67 5.02 -1.26 -4.84 118.16 112.78 1v32 n LYS 66 Ca -0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1v32 n LYS 66 Cb 0.43 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.48 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v32 h ARG 67 N 0.00 -0.02 -0.68 1.97 3.08 -1.97 1.32 114.38 118.07 1v32 h ARG 67 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1v32 h ARG 67 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1v32 h ARG 67 CO 0.00 -0.02 0.14 -0.07 -1.07 0.00 0.00 179.97 178.95 1v32 h LEU 68 N -0.03 1.06 0.52 3.04 3.38 -1.95 -1.14 115.31 120.19 1v32 h LEU 68 Ca 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1v32 h LEU 68 Cb 0.42 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1v32 h LEU 68 CO -0.57 1.03 -0.25 0.58 0.09 0.00 0.00 178.44 179.33 1v32 h VAL 69 N 1.05 0.48 0.00 1.22 2.07 -0.88 1.05 116.25 121.24 1v32 h VAL 69 Ca 0.21 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1v32 h VAL 69 Cb 0.41 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1v32 h VAL 69 CO 0.01 0.02 0.06 -0.07 0.02 0.00 0.00 177.57 177.60 1v32 h LEU 70 N -0.76 0.00 0.00 2.57 3.38 0.17 1.45 115.31 122.13 1v32 h LEU 70 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1v32 h LEU 70 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1v32 h LEU 70 CO 0.12 0.00 -0.13 0.25 0.09 0.00 0.00 178.44 178.77 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.12 -3.45 115.31 119.51 1v32 h LEU 71 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1v32 h LEU 71 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1v32 h LEU 71 CO 0.00 0.24 -0.89 -0.26 -0.34 0.00 0.00 178.44 177.18 1v32 h PHE 72 N -0.35 0.00 0.00 1.25 0.04 0.13 -3.46 116.94 114.56 1v32 h PHE 72 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v32 h PHE 72 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1v32 h PHE 72 CO -0.06 0.87 0.00 0.41 -0.60 0.00 0.00 178.31 178.94 1v32 n GLY 73 N 1.52 0.87 3.96 -1.45 0.00 0.49 -5.00 105.19 105.59 1v32 n GLY 73 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1v32 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v32 s THR 74 N -2.00 5.02 -0.14 2.61 -4.23 -1.26 -4.96 115.64 110.69 1v32 s THR 74 Ca 0.00 -0.70 -0.22 0.00 -1.18 0.00 0.00 61.69 59.60 1v32 s THR 74 Cb 0.00 -3.81 -0.25 0.00 1.34 0.00 0.00 72.50 69.78 1v32 s THR 74 CO 0.00 -0.43 0.54 -0.09 -0.54 0.00 0.00 174.62 174.10 1v32 h ARG 75 N 0.89 0.11 -6.16 3.99 9.65 -1.95 -3.39 114.38 117.51 1v32 h ARG 75 Ca -0.50 -0.18 -0.57 0.00 -1.10 0.00 0.00 59.98 57.62 1v32 h ARG 75 Cb 1.23 0.07 -0.24 0.00 -1.39 0.00 0.00 29.97 29.64 1v32 h ARG 75 CO 0.60 1.09 -0.84 0.95 2.80 0.00 0.00 179.97 184.57 1v32 s THR 76 N -2.37 1.72 0.28 0.20 -4.23 -1.26 0.17 115.64 110.16 1v32 s THR 76 Ca -0.22 -1.39 -0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1v32 s THR 76 Cb 0.02 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.34 1v32 s THR 76 CO 0.70 0.07 0.47 0.27 -0.54 0.00 0.00 174.62 175.59 1v32 s ILE 77 N -0.99 0.00 -0.34 2.99 -4.36 -0.42 -4.94 121.20 113.14 1v32 s ILE 77 Ca 0.07 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 1v32 s ILE 77 Cb -0.09 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1v32 s ILE 77 CO 0.03 0.00 0.24 -0.36 0.24 0.00 0.00 174.94 175.09 1v32 s PHE 78 N -3.60 3.23 0.52 1.37 0.08 -1.26 0.46 117.98 118.78 1v32 s PHE 78 Ca 0.26 -0.25 0.47 0.00 0.12 0.00 0.00 56.93 57.53 1v32 s PHE 78 Cb -0.00 -2.47 1.63 0.00 -0.57 0.00 0.00 43.02 41.61 1v32 s PHE 78 CO 0.13 -0.38 1.47 -2.13 -0.10 0.00 0.00 175.22 174.22 1v32 n ARG 79 N 5.10 -0.00 -0.04 0.44 0.63 -1.21 0.84 116.66 122.41 1v32 n ARG 79 Ca -0.13 1.03 -0.07 0.00 -0.92 0.00 0.00 57.85 57.76 1v32 n ARG 79 Cb 0.50 -2.36 -0.07 0.00 0.45 0.00 0.00 32.46 30.98 1v32 n ARG 79 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 1v32 h MET 80 N 0.00 -0.03 -0.31 -0.14 2.86 -1.92 -3.25 114.93 112.13 1v32 h MET 80 Ca 0.89 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.62 1v32 h MET 80 Cb 3.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 35.20 1v32 h MET 80 CO -0.03 0.46 0.48 0.87 1.06 0.00 0.00 176.91 179.75 1v32 h LYS 81 N -0.99 0.00 -0.97 1.72 1.79 0.04 -1.89 116.57 116.28 1v32 h LYS 81 Ca -0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.58 1v32 h LYS 81 Cb 0.50 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.02 1v32 h LYS 81 CO 0.01 0.00 -0.49 0.28 -1.08 0.00 0.00 179.45 178.17 1v32 n VAL 82 N -3.40 -0.60 -0.17 0.50 0.31 0.23 0.21 118.33 115.40 1v32 n VAL 82 Ca 0.05 2.32 -0.07 0.00 -0.01 0.00 0.00 64.34 66.64 1v32 n VAL 82 Cb 0.62 -2.96 -0.01 0.00 -0.91 0.00 0.00 33.84 30.58 1v32 n VAL 82 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1v32 h TYR 83 N 0.00 -1.02 -0.69 3.52 5.03 -1.55 0.23 116.97 122.49 1v32 h TYR 83 Ca 0.24 0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.56 1v32 h TYR 83 Cb 0.48 0.52 -0.03 0.00 1.55 0.00 0.00 36.73 39.26 1v32 h TYR 83 CO -0.94 -0.40 0.20 0.22 -1.32 0.00 0.00 178.16 175.93 1v32 h ASP 84 N -0.21 0.99 0.00 -2.11 1.82 -0.45 -0.65 116.42 115.81 1v32 h ASP 84 Ca 0.20 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1v32 h ASP 84 Cb 0.55 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1v32 h ASP 84 CO -0.64 0.93 0.16 -0.07 -1.61 0.00 0.00 179.24 178.02 1v32 h LEU 85 N 1.02 0.00 -3.15 2.28 3.38 0.55 0.43 115.31 119.83 1v32 h LEU 85 Ca 0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 1v32 h LEU 85 Cb 0.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 1v32 h LEU 85 CO -0.01 0.00 0.36 0.18 0.09 0.00 0.00 178.44 179.07 1v32 n LEU 86 N -2.63 5.14 -0.06 1.67 4.77 -0.20 -4.26 117.00 121.43 1v32 n LEU 86 Ca -0.02 -2.70 -0.04 0.00 -0.03 0.00 0.00 56.01 53.22 1v32 n LEU 86 Cb 0.21 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1v32 n LEU 86 CO 0.13 0.80 -0.06 -0.33 -1.33 0.00 0.00 177.39 176.60 1v32 h GLU 87 N 0.78 0.00 0.00 3.23 4.39 -0.27 -3.31 114.58 119.40 1v32 h GLU 87 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1v32 h GLU 87 Cb 2.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1v32 h GLU 87 CO 0.64 0.19 0.00 1.63 -1.16 0.00 0.00 179.01 180.31 1v32 n LYS 88 N -4.70 0.11 -1.31 2.33 5.02 -1.26 -1.60 118.16 116.75 1v32 n LYS 88 Ca -0.05 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.42 1v32 n LYS 88 Cb 0.17 -1.81 0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1v32 n HIS 89 N -2.04 3.13 -3.64 2.13 8.25 -1.25 -4.66 115.22 117.14 1v32 n HIS 89 Ca 0.00 -2.96 -0.06 0.00 -0.26 0.00 0.00 57.72 54.44 1v32 n HIS 89 Cb 0.09 -1.42 -0.07 0.00 1.12 0.00 0.00 29.99 29.71 1v32 n HIS 89 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1v32 s TYR 90 N -3.71 -0.73 0.00 4.41 2.02 -0.63 -4.00 117.35 114.71 1v32 s TYR 90 Ca 0.63 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.85 1v32 s TYR 90 Cb 0.49 0.43 0.00 0.00 -0.40 0.00 0.00 41.96 42.49 1v32 s TYR 90 CO -0.02 -0.36 0.00 1.17 -1.57 0.00 0.00 175.55 174.77 1v32 n LYS 91 N 3.57 3.21 -3.68 -0.62 4.81 -0.57 -4.74 118.16 120.13 1v32 n LYS 91 Ca -0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.04 1v32 n LYS 91 Cb 0.58 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.63 1v32 n LYS 91 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1v32 n GLU 92 N 0.00 -0.68 -3.64 1.64 0.28 -1.26 -4.90 120.64 112.08 1v32 n GLU 92 Ca 0.00 0.02 -0.07 0.00 -0.16 0.00 0.00 57.16 56.95 1v32 n GLU 92 Cb 0.00 -1.06 -0.07 0.00 1.43 0.00 0.00 31.44 31.74 1v32 n GLU 92 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1v32 s ASN 93 N -3.59 -0.62 0.04 -1.84 3.84 -1.26 -5.02 114.94 106.49 1v32 s ASN 93 Ca 0.18 1.07 0.24 0.00 0.21 0.00 0.00 52.86 54.56 1v32 s ASN 93 Cb -0.10 1.18 0.36 0.00 -0.55 0.00 0.00 41.25 42.14 1v32 s ASN 93 CO 0.54 -0.18 1.30 0.00 -2.79 0.00 0.00 177.10 175.97 1v32 n GLN 94 N 3.22 0.13 -3.09 0.43 3.00 -1.26 -4.79 117.38 115.02 1v32 n GLN 94 Ca -0.16 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.44 1v32 n GLN 94 Cb 0.57 -1.57 -0.06 0.00 0.00 0.00 0.00 30.24 29.18 1v32 n GLN 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1v32 s ASP 95 N -3.49 6.52 -0.06 1.08 1.01 -1.26 -5.02 116.67 115.45 1v32 s ASP 95 Ca 0.08 0.46 -0.03 0.00 0.71 0.00 0.00 52.55 53.78 1v32 s ASP 95 Cb 0.16 -2.34 0.04 0.00 1.01 0.00 0.00 42.92 41.78 1v32 s ASP 95 CO 0.73 -0.50 0.11 -0.44 0.21 0.00 0.00 175.17 175.27 1v32 s SER 96 N 1.64 0.80 0.22 0.27 0.01 -1.26 -5.03 113.70 110.36 1v32 s SER 96 Ca 0.26 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1v32 s SER 96 Cb -0.15 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1v32 s SER 96 CO 0.12 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1v32 n GLY 97 N 5.15 -1.21 3.77 3.44 0.00 -1.26 -5.00 105.19 110.08 1v32 n GLY 97 Ca -0.07 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1v32 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v32 s PRO 98 N -2.22 0.15 -0.95 1.61 0.04 -1.26 -5.03 135.00 127.35 1v32 s PRO 98 Ca 0.00 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 1v32 s PRO 98 Cb 0.00 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.81 1v32 s PRO 98 CO 0.00 -2.80 1.51 0.45 0.04 0.00 0.00 177.00 176.20 1v32 s SER 99 N -4.29 6.22 -0.03 6.66 0.15 -1.26 -4.86 113.70 116.29 1v32 s SER 99 Ca 0.70 -1.14 -0.31 0.00 0.70 0.00 0.00 55.95 55.90 1v32 s SER 99 Cb -0.09 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.77 1v32 s SER 99 CO 0.54 -1.76 1.23 -0.55 1.20 0.00 0.00 173.24 173.90 1v32 s SER 100 N 5.34 -0.09 0.00 5.45 0.15 -1.26 -5.31 113.70 117.97 1v32 s SER 100 Ca 0.49 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1v32 s SER 100 Cb -0.03 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1v32 s SER 100 CO -0.04 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.65