#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 s SER 2 N 0.00 -0.11 0.46 1.61 0.15 -1.26 -5.17 113.70 109.38 1v31 s SER 2 Ca 0.00 -0.55 -0.01 0.00 0.70 0.00 0.00 55.95 56.09 1v31 s SER 2 Cb 0.00 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1v31 s SER 2 CO 0.00 -0.89 0.70 -0.44 1.20 0.00 0.00 173.24 173.81 1v31 s SER 3 N -2.87 5.85 0.00 5.45 0.01 -1.26 -4.99 113.70 115.89 1v31 s SER 3 Ca 0.08 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1v31 s SER 3 Cb 0.02 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1v31 s SER 3 CO -0.07 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1v31 n GLY 4 N -2.13 -1.75 0.25 3.44 0.00 -1.26 -5.05 105.19 98.70 1v31 n GLY 4 Ca 0.01 0.80 -0.05 0.00 0.00 0.00 0.00 46.02 46.78 1v31 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v31 n SER 5 N 0.00 1.25 -1.20 1.61 7.64 -1.26 -5.12 113.62 116.54 1v31 n SER 5 Ca 0.00 0.21 0.15 0.00 1.01 0.00 0.00 58.87 60.24 1v31 n SER 5 Cb 0.00 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.55 1v31 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1v31 n SER 6 N -3.75 -6.88 0.08 6.43 3.41 -1.26 -4.99 113.62 106.66 1v31 n SER 6 Ca -0.08 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1v31 n SER 6 Cb 0.29 -4.03 0.00 0.00 -0.26 0.00 0.00 64.21 60.22 1v31 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v31 n GLY 7 N -3.98 -0.14 3.87 5.00 0.00 -1.26 -5.08 105.19 103.60 1v31 n GLY 7 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1v31 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v31 s VAL 8 N -2.00 5.20 0.00 1.61 1.01 -1.26 -5.10 120.40 119.86 1v31 s VAL 8 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1v31 s VAL 8 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1v31 s VAL 8 CO 0.00 0.35 0.00 -0.81 0.00 0.00 0.00 175.10 174.64 1v31 n PRO 9 N 1.10 -0.46 -4.97 2.72 -0.04 -1.26 -5.08 135.00 127.01 1v31 n PRO 9 Ca -0.10 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1v31 n PRO 9 Cb 0.53 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.82 1v31 n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1v31 s GLU 10 N -2.92 2.04 0.10 0.54 1.03 -1.26 -5.14 118.70 113.09 1v31 s GLU 10 Ca 0.00 -0.70 0.09 0.00 0.03 0.00 0.00 54.97 54.39 1v31 s GLU 10 Cb 0.00 -1.75 -0.04 0.00 -0.80 0.00 0.00 34.13 31.55 1v31 s GLU 10 CO 0.00 0.28 -0.22 0.15 -1.33 0.00 0.00 175.26 174.14 1v31 s LYS 11 N -0.00 1.18 0.14 -4.83 1.02 -1.26 -4.12 119.74 111.86 1v31 s LYS 11 Ca -0.04 -1.18 0.04 0.00 0.02 0.00 0.00 55.97 54.81 1v31 s LYS 11 Cb -0.12 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1v31 s LYS 11 CO 0.03 0.35 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.64 1v31 s PHE 12 N -1.13 1.24 0.21 3.18 0.40 0.23 -4.51 117.98 117.59 1v31 s PHE 12 Ca 0.08 -0.75 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 1v31 s PHE 12 Cb -0.10 -0.63 -0.08 0.00 0.51 0.00 0.00 43.02 42.72 1v31 s PHE 12 CO 0.04 0.07 0.67 0.15 0.70 0.00 0.00 175.22 176.85 1v31 s LYS 13 N -3.65 4.13 0.04 0.44 1.02 0.43 -1.73 119.74 120.42 1v31 s LYS 13 Ca 0.15 0.72 -0.05 0.00 0.02 0.00 0.00 55.97 56.81 1v31 s LYS 13 Cb 0.02 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1v31 s LYS 13 CO 0.00 0.39 0.28 -0.51 -0.92 0.00 0.00 175.35 174.59 1v31 s LEU 14 N -2.10 4.35 0.89 3.17 1.43 -0.17 -2.08 118.68 124.18 1v31 s LEU 14 Ca 0.43 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1v31 s LEU 14 Cb -0.15 -2.81 0.13 0.00 0.03 0.00 0.00 46.19 43.38 1v31 s LEU 14 CO 0.20 0.21 1.15 -0.55 0.23 0.00 0.00 176.35 177.59 1v31 s SER 15 N -1.93 3.73 0.24 2.29 0.15 -1.26 -4.72 113.70 112.19 1v31 s SER 15 Ca 0.31 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.81 1v31 s SER 15 Cb -0.13 -1.46 0.24 0.00 -1.71 0.00 0.00 66.02 62.96 1v31 s SER 15 CO 0.19 -2.41 1.80 0.74 1.20 0.00 0.00 173.24 174.76 1v31 h THR 16 N -1.40 1.25 -0.03 6.45 2.02 -1.97 1.01 112.91 120.24 1v31 h THR 16 Ca -0.49 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1v31 h THR 16 Cb 1.33 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1v31 h THR 16 CO 0.63 0.32 -0.08 0.00 0.37 0.00 0.00 175.52 176.76 1v31 h ALA 17 N 1.23 0.05 -0.71 6.16 0.00 -1.95 -2.89 119.26 121.15 1v31 h ALA 17 Ca 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1v31 h ALA 17 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1v31 h ALA 17 CO -0.02 -0.09 0.40 1.25 0.00 0.00 0.00 179.25 180.80 1v31 h LEU 18 N -0.46 0.88 -1.24 0.00 5.85 -1.88 -0.02 115.31 118.45 1v31 h LEU 18 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1v31 h LEU 18 Cb 0.69 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1v31 h LEU 18 CO 0.02 0.71 0.00 0.23 -0.34 0.00 0.00 178.44 179.06 1v31 n MET 19 N -4.50 0.13 0.00 1.25 2.81 0.35 0.51 117.12 117.67 1v31 n MET 19 Ca 0.06 0.60 0.11 0.00 -1.81 0.00 0.00 57.70 56.66 1v31 n MET 19 Cb 0.08 -1.91 -0.05 0.00 -0.71 0.00 0.00 33.22 30.63 1v31 n MET 19 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1v31 n ASP 20 N -2.19 1.60 -0.09 7.83 9.92 -0.07 -2.67 116.55 130.88 1v31 n ASP 20 Ca -0.01 -1.30 -0.16 0.00 -0.53 0.00 0.00 54.79 52.79 1v31 n ASP 20 Cb 0.05 0.69 -0.10 0.00 -0.64 0.00 0.00 41.12 41.13 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1v31 h VAL 21 N 1.43 0.90 0.00 2.53 2.07 0.60 -3.44 116.25 120.34 1v31 h VAL 21 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1v31 h VAL 21 Cb 0.65 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1v31 h VAL 21 CO 0.00 0.30 -0.87 0.18 0.02 0.00 0.00 177.57 177.21 1v31 n LEU 22 N -4.52 1.71 0.00 2.57 4.77 -0.90 -5.02 117.00 115.62 1v31 n LEU 22 Ca -0.22 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1v31 n LEU 22 Cb 0.54 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1v31 n LEU 22 CO 0.19 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1v31 n GLY 23 N 1.51 1.48 0.00 -0.72 0.00 -1.09 -5.08 105.19 101.30 1v31 n GLY 23 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1v31 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v31 n ILE 24 N -0.01 0.00 0.00 -0.61 -5.35 -1.26 -5.05 119.36 107.07 1v31 n ILE 24 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1v31 n ILE 24 Cb 0.00 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 1v31 n ILE 24 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1v31 n GLU 25 N -0.43 0.00 -3.54 6.28 2.13 -1.26 -4.69 120.64 119.13 1v31 n GLU 25 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1v31 n GLU 25 Cb 0.00 -0.18 -0.15 0.00 0.27 0.00 0.00 31.44 31.39 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1v31 s VAL 26 N -1.50 -0.02 0.38 6.31 1.01 -1.26 -1.00 120.40 124.33 1v31 s VAL 26 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1v31 s VAL 26 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1v31 s VAL 26 CO 0.00 -0.76 0.08 -0.70 0.00 0.00 0.00 175.10 173.72 1v31 s GLU 27 N 1.96 1.84 0.00 2.72 2.56 -0.71 -4.84 118.70 122.24 1v31 s GLU 27 Ca 0.10 -2.09 0.00 0.00 0.00 0.00 0.00 54.97 52.98 1v31 s GLU 27 Cb -0.17 -0.89 0.00 0.00 2.00 0.00 0.00 34.13 35.07 1v31 s GLU 27 CO -0.32 -0.32 0.00 0.25 -0.56 0.00 0.00 175.26 174.31 1v31 n THR 28 N -0.86 0.00 -0.00 -1.70 -2.24 -1.26 0.74 114.28 108.96 1v31 n THR 28 Ca -0.06 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1v31 n THR 28 Cb 0.66 -1.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.25 1v31 n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v31 h ARG 29 N 0.00 0.19 0.17 -0.78 2.43 -1.97 -3.32 114.38 111.10 1v31 h ARG 29 Ca 0.00 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1v31 h ARG 29 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1v31 h ARG 29 CO 0.00 1.16 -0.08 -1.00 -1.51 0.00 0.00 179.97 178.54 1v31 h PRO 30 N -0.55 -0.22 -0.83 0.20 0.13 -1.94 -2.69 132.00 126.10 1v31 h PRO 30 Ca -0.17 0.02 0.34 0.00 -0.87 0.00 0.00 66.00 65.31 1v31 h PRO 30 Cb 1.50 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.55 1v31 h PRO 30 CO 0.06 0.10 0.46 0.54 -0.23 0.00 0.00 178.00 178.93 1v31 n ARG 31 N -4.91 -0.04 0.12 0.86 5.12 -1.26 0.99 116.66 117.52 1v31 n ARG 31 Ca -0.06 1.07 -0.06 0.00 -1.93 0.00 0.00 57.85 56.88 1v31 n ARG 31 Cb 0.21 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1v31 h ILE 32 N 0.00 0.00 -0.91 0.55 2.04 -1.66 0.19 117.51 117.73 1v31 h ILE 32 Ca 0.67 -0.61 0.26 0.00 1.00 0.00 0.00 64.86 66.18 1v31 h ILE 32 Cb 1.83 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.76 1v31 h ILE 32 CO -0.57 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.21 1v31 h ILE 33 N -0.98 0.25 0.01 -0.67 2.04 0.43 0.38 117.51 118.97 1v31 h ILE 33 Ca -0.04 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1v31 h ILE 33 Cb 0.28 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1v31 h ILE 33 CO 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 1v31 h ALA 34 N 1.83 -0.02 -1.37 1.87 0.00 0.57 -1.35 119.26 120.79 1v31 h ALA 34 Ca 0.59 -0.21 0.40 0.00 0.00 0.00 0.00 54.91 55.68 1v31 h ALA 34 Cb 1.23 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1v31 h ALA 34 CO -0.70 -0.29 1.06 0.00 0.00 0.00 0.00 179.25 179.31 1v31 h ALA 35 N 0.52 3.28 0.19 0.00 0.00 0.29 1.63 119.26 125.18 1v31 h ALA 35 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1v31 h ALA 35 Cb 0.44 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1v31 h ALA 35 CO 0.00 -1.77 -1.69 0.82 0.00 0.00 0.00 179.25 176.61 1v31 h ILE 36 N 0.00 0.99 -0.96 0.00 2.04 -0.67 -1.84 117.51 117.06 1v31 h ILE 36 Ca 0.65 -2.53 0.08 0.00 1.00 0.00 0.00 64.86 64.07 1v31 h ILE 36 Cb 2.76 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 41.57 1v31 h ILE 36 CO -0.01 0.84 0.60 -0.50 0.00 0.00 0.00 178.15 179.09 1v31 h TRP 37 N 0.08 1.11 0.27 1.37 4.06 0.33 0.19 115.95 123.37 1v31 h TRP 37 Ca -0.33 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.64 1v31 h TRP 37 Cb 2.09 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 29.89 1v31 h TRP 37 CO 0.11 0.53 -0.13 1.25 -3.56 0.00 0.00 178.44 176.64 1v31 h HIS 38 N 1.06 -0.34 -0.99 0.49 -0.00 -0.47 -2.83 115.15 112.07 1v31 h HIS 38 Ca 0.43 -0.01 0.34 0.00 -0.00 0.00 0.00 60.37 61.14 1v31 h HIS 38 Cb 0.26 0.11 -0.18 0.00 -0.00 0.00 0.00 27.41 27.60 1v31 h HIS 38 CO -0.01 -0.21 0.30 -0.92 -0.00 0.00 0.00 177.93 177.08 1v31 h TYR 39 N -0.89 0.41 0.62 5.26 3.20 -1.14 1.58 116.97 126.01 1v31 h TYR 39 Ca -0.04 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1v31 h TYR 39 Cb 0.28 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1v31 h TYR 39 CO 0.02 -0.43 -0.31 0.28 -1.64 0.00 0.00 178.16 176.07 1v31 h VAL 40 N 0.03 0.37 -0.44 1.81 2.07 -0.68 0.53 116.25 119.94 1v31 h VAL 40 Ca 0.72 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.22 1v31 h VAL 40 Cb 1.72 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1v31 h VAL 40 CO -0.83 0.00 0.20 0.50 0.02 0.00 0.00 177.57 177.46 1v31 h LYS 41 N -0.85 0.62 -0.65 1.57 3.64 0.25 1.12 116.57 122.27 1v31 h LYS 41 Ca -0.08 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1v31 h LYS 41 Cb 0.65 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1v31 h LYS 41 CO 0.14 0.49 0.21 0.00 -2.27 0.00 0.00 179.45 178.01 1v31 h ALA 42 N 1.60 0.85 -0.30 5.00 0.00 0.25 -1.42 119.26 125.24 1v31 h ALA 42 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1v31 h ALA 42 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1v31 h ALA 42 CO -0.02 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1v31 n ARG 43 N -4.35 1.80 -3.16 0.00 5.12 0.18 -4.89 116.66 111.37 1v31 n ARG 43 Ca 0.04 -1.24 -0.23 0.00 -1.93 0.00 0.00 57.85 54.50 1v31 n ARG 43 Cb 0.21 -1.31 0.02 0.00 -1.16 0.00 0.00 32.46 30.22 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1v31 n LYS 44 N 0.49 -4.20 0.10 5.56 5.02 0.75 -4.84 118.16 121.04 1v31 n LYS 44 Ca 0.13 0.71 -0.03 0.00 -2.02 0.00 0.00 58.31 57.11 1v31 n LYS 44 Cb 0.31 -5.50 -0.05 0.00 -0.02 0.00 0.00 35.03 29.76 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -1.18 0.00 -9.08 -0.35 3.38 0.87 -3.47 115.31 105.48 1v31 h LEU 45 Ca -0.48 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.85 1v31 h LEU 45 Cb 1.33 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.22 1v31 h LEU 45 CO 0.55 0.78 -0.66 1.67 0.09 0.00 0.00 178.44 180.87 1v31 n GLN 46 N -3.30 0.16 -3.63 1.13 7.27 -1.23 0.92 117.38 118.70 1v31 n GLN 46 Ca 0.01 0.06 -0.36 0.00 0.07 0.00 0.00 57.00 56.77 1v31 n GLN 46 Cb 0.85 -1.12 -0.07 0.00 2.41 0.00 0.00 30.24 32.31 1v31 n GLN 46 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1v31 s ASN 47 N -0.97 6.41 -0.05 1.69 3.84 -1.15 -4.58 114.94 120.13 1v31 s ASN 47 Ca 0.62 0.48 -0.25 0.00 0.21 0.00 0.00 52.86 53.91 1v31 s ASN 47 Cb -0.74 -2.15 -0.23 0.00 -0.55 0.00 0.00 41.25 37.58 1v31 s ASN 47 CO 0.59 0.18 1.05 1.55 -2.79 0.00 0.00 177.10 177.69 1v31 h PRO 48 N 6.27 0.14 -0.68 0.43 0.13 -1.91 -3.28 132.00 133.09 1v31 h PRO 48 Ca -0.44 -0.13 0.15 0.00 -0.87 0.00 0.00 66.00 64.70 1v31 h PRO 48 Cb 1.17 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1v31 h PRO 48 CO 0.72 0.85 0.01 -0.97 -0.23 0.00 0.00 178.00 178.38 1v31 h ASN 49 N -0.53 -0.30 -3.15 1.44 -0.73 -1.97 -3.36 115.58 106.98 1v31 h ASN 49 Ca -0.02 0.17 -0.56 0.00 1.87 0.00 0.00 56.30 57.76 1v31 h ASN 49 Cb 0.91 0.30 -0.36 0.00 0.27 0.00 0.00 38.32 39.43 1v31 h ASN 49 CO 0.04 -0.14 -0.82 -1.81 -0.37 0.00 0.00 177.43 174.33 1v31 s ASP 50 N -5.22 2.42 0.00 1.15 1.11 -1.24 -4.98 116.67 109.91 1v31 s ASP 50 Ca -0.13 -0.39 0.23 0.00 0.18 0.00 0.00 52.55 52.43 1v31 s ASP 50 Cb 0.20 -1.00 1.15 0.00 1.07 0.00 0.00 42.92 44.34 1v31 s ASP 50 CO 0.75 -0.09 1.74 -0.81 1.18 0.00 0.00 175.17 177.94 1v31 n PRO 51 N 4.86 0.32 -0.02 8.23 -0.04 -1.24 -2.91 135.00 144.20 1v31 n PRO 51 Ca -0.15 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1v31 n PRO 51 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1v31 n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 52 N -1.29 2.08 -4.43 3.54 7.64 -1.26 -4.91 113.62 115.00 1v31 n SER 52 Ca 0.11 0.19 -0.27 0.00 1.01 0.00 0.00 58.87 59.92 1v31 n SER 52 Cb 0.18 -0.82 0.14 0.00 -1.01 0.00 0.00 64.21 62.70 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v31 s PHE 53 N -2.53 1.64 -0.03 1.43 0.08 -1.15 0.19 117.98 117.60 1v31 s PHE 53 Ca -0.25 0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 1v31 s PHE 53 Cb 0.07 -3.54 0.10 0.00 -0.57 0.00 0.00 43.02 39.08 1v31 s PHE 53 CO 0.73 -2.15 0.86 -0.59 -0.10 0.00 0.00 175.22 173.96 1v31 s PHE 54 N -3.51 -0.42 0.38 0.36 -0.12 -0.20 -2.95 117.98 111.53 1v31 s PHE 54 Ca 0.70 0.46 -0.26 0.00 -0.05 0.00 0.00 56.93 57.78 1v31 s PHE 54 Cb -0.05 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.75 1v31 s PHE 54 CO 0.48 -0.53 1.15 -0.80 -0.05 0.00 0.00 175.22 175.47 1v31 s ASN 55 N -1.97 6.69 -0.33 1.98 0.01 0.26 -2.13 114.94 119.44 1v31 s ASN 55 Ca 0.01 2.30 -0.01 0.00 -0.71 0.00 0.00 52.86 54.45 1v31 s ASN 55 Cb -0.01 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 39.11 1v31 s ASN 55 CO -0.04 -0.56 0.06 0.00 -1.51 0.00 0.00 177.10 175.05 1v31 n ASP 57 N 4.56 -1.49 -0.16 0.00 9.92 -1.26 -4.44 116.55 123.67 1v31 n ASP 57 Ca -0.08 -0.48 0.05 0.00 -0.53 0.00 0.00 54.79 53.75 1v31 n ASP 57 Cb 0.43 -0.16 0.35 0.00 -0.64 0.00 0.00 41.12 41.09 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v31 h ALA 58 N -2.16 1.67 -0.19 2.24 0.00 -1.98 0.17 119.26 119.02 1v31 h ALA 58 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1v31 h ALA 58 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1v31 h ALA 58 CO 0.04 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1v31 n ALA 59 N -2.45 -0.28 -0.54 0.00 0.00 -1.26 -1.57 120.51 114.42 1v31 n ALA 59 Ca 0.09 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.98 1v31 n ALA 59 Cb 0.18 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.39 1v31 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v31 h LEU 60 N 0.00 0.07 0.41 0.00 3.38 -1.85 0.16 115.31 117.47 1v31 h LEU 60 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1v31 h LEU 60 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1v31 h LEU 60 CO 0.00 -0.04 -0.20 1.56 0.09 0.00 0.00 178.44 179.86 1v31 h GLN 61 N 0.03 -0.53 -1.66 1.13 4.20 -0.58 0.70 115.11 118.41 1v31 h GLN 61 Ca 0.81 0.04 0.48 0.00 0.06 0.00 0.00 58.65 60.03 1v31 h GLN 61 Cb 3.05 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 30.89 1v31 h GLN 61 CO -0.11 -0.35 1.24 0.87 -0.67 0.00 0.00 178.83 179.81 1v31 h LYS 62 N -0.66 0.00 0.01 1.46 1.57 0.32 1.53 116.57 120.80 1v31 h LYS 62 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1v31 h LYS 62 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1v31 h LYS 62 CO 0.09 0.00 -0.01 0.28 -0.57 0.00 0.00 179.45 179.24 1v31 h VAL 63 N 0.00 0.00 0.00 0.50 2.07 -1.05 -3.43 116.25 114.34 1v31 h VAL 63 Ca 0.79 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 68.26 1v31 h VAL 63 Cb 3.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1v31 h VAL 63 CO -0.01 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.27 1v31 h PHE 64 N -0.06 0.00 0.00 1.57 0.04 0.12 -3.50 116.94 115.11 1v31 h PHE 64 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v31 h PHE 64 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1v31 h PHE 64 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1v31 n GLY 65 N 1.84 1.47 3.24 -1.45 0.00 0.50 -5.02 105.19 105.78 1v31 n GLY 65 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1v31 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v31 s GLU 66 N -0.05 1.46 0.24 1.61 2.02 -1.26 -5.03 118.70 117.68 1v31 s GLU 66 Ca 0.00 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.03 1v31 s GLU 66 Cb 0.00 -1.53 0.40 0.00 0.10 0.00 0.00 34.13 33.11 1v31 s GLU 66 CO 0.00 0.40 1.63 1.05 0.02 0.00 0.00 175.26 178.36 1v31 h GLU 67 N 5.09 0.07 -4.56 1.61 4.11 -1.96 -3.41 114.58 115.52 1v31 h GLU 67 Ca -0.41 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.79 1v31 h GLU 67 Cb 1.15 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 1v31 h GLU 67 CO 0.45 0.05 -0.64 -1.59 0.07 0.00 0.00 179.01 177.34 1v31 s LYS 68 N -6.15 1.04 0.19 1.06 -2.85 -1.26 0.22 119.74 112.00 1v31 s LYS 68 Ca -0.14 -1.51 -0.10 0.00 -1.00 0.00 0.00 55.97 53.22 1v31 s LYS 68 Cb 0.22 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1v31 s LYS 68 CO 0.75 -0.26 0.34 -1.17 0.10 0.00 0.00 175.35 175.11 1v31 s LEU 69 N -3.11 0.74 0.16 2.77 0.20 -0.91 -4.92 118.68 113.61 1v31 s LEU 69 Ca 0.27 -0.92 -0.17 0.00 0.69 0.00 0.00 54.13 54.01 1v31 s LEU 69 Cb 0.07 1.33 -0.07 0.00 -0.43 0.00 0.00 46.19 47.09 1v31 s LEU 69 CO 0.05 -0.97 0.62 -0.54 -0.29 0.00 0.00 176.35 175.22 1v31 s LYS 70 N -4.00 4.13 0.62 1.98 1.02 -1.26 -1.03 119.74 121.21 1v31 s LYS 70 Ca 0.20 0.69 0.39 0.00 0.02 0.00 0.00 55.97 57.27 1v31 s LYS 70 Cb 0.02 -2.97 2.06 0.00 -0.52 0.00 0.00 37.83 36.42 1v31 s LYS 70 CO 0.04 0.48 2.26 0.74 -0.92 0.00 0.00 175.35 177.95 1v31 h PHE 71 N 3.69 0.00 0.08 3.18 0.04 0.18 -2.33 116.94 121.78 1v31 h PHE 71 Ca -0.48 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 59.96 1v31 h PHE 71 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1v31 h PHE 71 CO 0.65 0.02 -1.82 0.25 -0.60 0.00 0.00 178.31 176.81 1v31 n THR 72 N -3.28 1.69 -0.30 -1.55 -2.24 -1.26 -4.16 114.28 103.17 1v31 n THR 72 Ca -0.02 -0.45 0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1v31 n THR 72 Cb 0.13 -1.82 0.40 0.00 -2.10 0.00 0.00 70.33 66.94 1v31 n THR 72 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1v31 h MET 73 N -0.30 0.60 -1.33 -0.78 2.86 -1.83 0.85 114.93 115.01 1v31 h MET 73 Ca -0.42 -0.04 0.44 0.00 -2.06 0.00 0.00 59.70 57.62 1v31 h MET 73 Cb 1.79 -0.14 -0.13 0.00 0.06 0.00 0.00 31.60 33.19 1v31 h MET 73 CO -0.03 0.40 0.86 0.28 1.06 0.00 0.00 176.91 179.48 1v31 h VAL 74 N 0.62 0.11 0.13 -2.22 2.07 -1.59 1.17 116.25 116.54 1v31 h VAL 74 Ca 0.52 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1v31 h VAL 74 Cb 0.98 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1v31 h VAL 74 CO -0.27 0.01 -0.06 -1.28 0.02 0.00 0.00 177.57 176.00 1v31 h SER 75 N 0.08 -0.14 -0.55 0.57 0.87 -1.06 0.35 113.55 113.66 1v31 h SER 75 Ca 0.83 -0.08 -0.30 0.00 -1.23 0.00 0.00 61.79 61.00 1v31 h SER 75 Cb 2.60 0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 64.43 1v31 h SER 75 CO -0.42 -0.01 0.38 0.00 -0.53 0.00 0.00 176.83 176.25 1v31 n GLN 76 N -5.12 1.73 0.00 2.24 10.64 0.38 -3.50 117.38 123.76 1v31 n GLN 76 Ca -0.08 -1.69 0.00 0.00 -1.83 0.00 0.00 57.00 53.40 1v31 n GLN 76 Cb 0.13 -1.66 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1v31 n LYS 77 N -0.33 0.00 -0.00 2.61 4.76 0.03 -4.80 118.16 120.42 1v31 n LYS 77 Ca 0.33 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.75 1v31 n LYS 77 Cb 1.07 -0.35 0.22 0.00 -1.84 0.00 0.00 35.03 34.13 1v31 n LYS 77 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1v31 h ILE 78 N 0.00 1.25 -0.87 -0.18 -0.00 -0.43 -3.10 117.51 114.18 1v31 h ILE 78 Ca 0.00 -1.13 0.10 0.00 -0.00 0.00 0.00 64.86 63.84 1v31 h ILE 78 Cb 0.35 1.20 -0.12 0.00 -0.00 0.00 0.00 36.82 38.24 1v31 h ILE 78 CO 0.00 0.37 -0.51 0.77 -0.00 0.00 0.00 178.15 178.78 1v31 h SER 79 N 0.48 -1.84 -1.14 2.16 4.64 -1.76 1.65 113.55 117.75 1v31 h SER 79 Ca 0.08 0.30 0.36 0.00 -0.47 0.00 0.00 61.79 62.06 1v31 h SER 79 Cb 0.57 0.84 -0.13 0.00 -0.31 0.00 0.00 62.40 63.37 1v31 h SER 79 CO 0.04 -0.28 0.71 0.45 -0.87 0.00 0.00 176.83 176.87 1v31 h HIS 80 N -0.08 0.70 0.08 4.77 3.86 -1.87 1.26 115.15 123.86 1v31 h HIS 80 Ca 0.20 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 59.16 1v31 h HIS 80 Cb 0.50 -0.18 0.02 0.00 1.06 0.00 0.00 27.41 28.81 1v31 h HIS 80 CO -0.90 -0.14 -1.15 0.45 0.86 0.00 0.00 177.93 177.05 1v31 h HIS 81 N 0.24 0.88 -2.85 2.45 3.86 0.20 -3.45 115.15 116.47 1v31 h HIS 81 Ca 0.74 -0.53 -0.59 0.00 -1.16 0.00 0.00 60.37 58.83 1v31 h HIS 81 Cb 2.01 -0.08 0.10 0.00 1.06 0.00 0.00 27.41 30.50 1v31 h HIS 81 CO -0.01 1.38 0.43 1.28 0.86 0.00 0.00 177.93 181.87 1v31 n LEU 82 N -3.76 2.88 -4.12 2.43 4.77 0.43 -4.41 117.00 115.21 1v31 n LEU 82 Ca -0.11 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.94 1v31 n LEU 82 Cb 0.94 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1v31 n LEU 82 CO 0.56 -0.76 -0.39 -0.94 -1.33 0.00 0.00 177.39 174.53 1v31 s SER 83 N -0.19 0.97 -0.08 -1.43 1.04 -0.88 -4.88 113.70 108.24 1v31 s SER 83 Ca 0.61 -0.85 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 1v31 s SER 83 Cb -0.64 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 1v31 s SER 83 CO 0.58 -0.39 1.24 -2.16 0.98 0.00 0.00 173.24 173.49 1v31 s PRO 84 N -3.05 4.31 0.98 4.02 0.04 -1.26 0.16 135.00 140.20 1v31 s PRO 84 Ca 0.04 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1v31 s PRO 84 Cb 0.00 -3.62 0.18 0.00 0.04 0.00 0.00 34.50 31.10 1v31 s PRO 84 CO -0.03 -0.54 1.17 -1.25 0.04 0.00 0.00 177.00 176.39 1v31 s PRO 85 N 2.62 0.53 -0.18 0.56 0.04 -1.26 -4.80 135.00 132.50 1v31 s PRO 85 Ca 0.56 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 1v31 s PRO 85 Cb -0.24 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1v31 s PRO 85 CO 0.20 -2.57 1.29 -1.25 0.04 0.00 0.00 177.00 174.71 1v31 s PRO 86 N -5.44 4.18 -0.03 0.56 0.04 -1.26 -4.95 135.00 128.10 1v31 s PRO 86 Ca 0.68 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 1v31 s PRO 86 Cb -0.11 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1v31 s PRO 86 CO 0.54 -0.77 0.32 -1.00 0.04 0.00 0.00 177.00 176.13 1v31 h PRO 87 N 8.42 -0.17 -6.61 0.56 0.13 -1.93 -3.45 132.00 128.95 1v31 h PRO 87 Ca -0.27 0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.36 1v31 h PRO 87 Cb 1.11 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1v31 h PRO 87 CO 0.98 -0.12 0.43 -1.12 -0.23 0.00 0.00 178.00 177.95 1v31 s SER 88 N -4.03 7.35 0.00 1.44 0.01 -1.26 -4.20 113.70 113.02 1v31 s SER 88 Ca -0.03 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.20 1v31 s SER 88 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1v31 s SER 88 CO 0.08 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1v31 n GLY 89 N 2.19 3.97 2.36 3.44 0.00 -1.26 -5.01 105.19 110.87 1v31 n GLY 89 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1v31 n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v31 n PRO 90 N 0.00 2.33 -1.16 1.61 -0.04 -1.26 -4.77 135.00 131.71 1v31 n PRO 90 Ca 0.00 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1v31 n PRO 90 Cb 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1v31 n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 n SER 91 N 3.48 -6.56 -2.35 3.54 2.88 -1.26 -4.98 113.62 108.37 1v31 n SER 91 Ca 0.50 0.87 -0.03 0.00 -1.33 0.00 0.00 58.87 58.87 1v31 n SER 91 Cb 0.35 -2.98 -0.03 0.00 -0.75 0.00 0.00 64.21 60.81 1v31 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 92 N -0.39 -2.18 0.00 -3.46 2.88 -1.26 -5.17 113.62 104.04 1v31 n SER 92 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1v31 n SER 92 Cb 0.00 -4.24 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42