#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 n SER 2 N 0.00 -7.29 -4.42 1.61 2.88 -1.26 -4.91 113.62 100.24 1v31 n SER 2 Ca 0.00 1.42 -0.36 0.00 -1.33 0.00 0.00 58.87 58.60 1v31 n SER 2 Cb 0.00 -4.29 0.07 0.00 -0.75 0.00 0.00 64.21 59.25 1v31 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1v31 n SER 3 N 1.42 -1.76 0.00 -3.46 3.41 -1.26 -4.92 113.62 107.04 1v31 n SER 3 Ca -0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1v31 n SER 3 Cb 0.04 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v31 n GLY 4 N 1.77 1.10 1.43 5.00 0.00 -1.26 -5.17 105.19 108.06 1v31 n GLY 4 Ca 0.09 0.34 0.18 0.00 0.00 0.00 0.00 46.02 46.62 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 -8.15 -3.80 1.61 7.64 -1.26 -4.95 113.62 104.71 1v31 n SER 5 Ca 0.00 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.89 1v31 n SER 5 Cb 0.00 -4.73 -0.15 0.00 -1.01 0.00 0.00 64.21 58.32 1v31 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v31 s SER 6 N -7.13 0.05 -0.11 6.43 0.15 -1.26 -5.06 113.70 106.77 1v31 s SER 6 Ca 0.00 0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.55 1v31 s SER 6 Cb 0.00 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1v31 s SER 6 CO 0.00 -0.10 -0.26 0.61 1.20 0.00 0.00 173.24 174.70 1v31 n GLY 7 N 3.90 -0.40 3.51 9.45 0.00 -1.26 -5.02 105.19 115.37 1v31 n GLY 7 Ca -0.24 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1v31 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v31 n VAL 8 N -4.18 1.33 -1.53 1.61 0.24 -1.26 -4.97 118.33 109.56 1v31 n VAL 8 Ca -0.12 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 1v31 n VAL 8 Cb 0.41 -0.82 0.15 0.00 -1.47 0.00 0.00 33.84 32.11 1v31 n VAL 8 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1v31 s PRO 9 N -3.37 0.78 -0.23 7.34 0.04 -1.26 -5.05 135.00 133.25 1v31 s PRO 9 Ca 0.65 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1v31 s PRO 9 Cb -0.29 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1v31 s PRO 9 CO 0.59 -2.41 -0.01 -1.83 0.04 0.00 0.00 177.00 173.37 1v31 s GLU 10 N -5.38 3.41 0.87 4.56 -1.05 -1.26 -5.09 118.70 114.76 1v31 s GLU 10 Ca 0.66 -0.61 -0.15 0.00 -0.15 0.00 0.00 54.97 54.71 1v31 s GLU 10 Cb -0.13 -3.10 -0.05 0.00 -0.44 0.00 0.00 34.13 30.41 1v31 s GLU 10 CO 0.54 -0.21 0.06 1.63 0.95 0.00 0.00 175.26 178.22 1v31 n LYS 11 N 4.83 -0.03 -4.22 -4.83 5.02 -1.26 -4.82 118.16 112.84 1v31 n LYS 11 Ca -0.17 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 55.97 1v31 n LYS 11 Cb 0.51 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 1v31 n LYS 11 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1v31 s PHE 12 N -2.12 0.67 0.91 2.13 0.08 0.04 -4.25 117.98 115.43 1v31 s PHE 12 Ca 0.54 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 1v31 s PHE 12 Cb -0.26 -0.42 0.14 0.00 -0.57 0.00 0.00 43.02 41.91 1v31 s PHE 12 CO 0.69 -0.02 1.10 0.15 -0.10 0.00 0.00 175.22 177.05 1v31 s LYS 13 N -0.46 1.13 0.14 0.44 1.02 0.34 -0.81 119.74 121.53 1v31 s LYS 13 Ca 0.01 0.57 0.09 0.00 0.02 0.00 0.00 55.97 56.66 1v31 s LYS 13 Cb -0.04 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1v31 s LYS 13 CO -0.00 -2.27 -0.18 -0.51 -0.92 0.00 0.00 175.35 171.47 1v31 s LEU 14 N -6.17 2.70 0.79 3.17 1.02 0.78 -2.88 118.68 118.08 1v31 s LEU 14 Ca 0.64 -0.61 -0.11 0.00 0.02 0.00 0.00 54.13 54.06 1v31 s LEU 14 Cb -0.17 -1.50 0.07 0.00 0.02 0.00 0.00 46.19 44.61 1v31 s LEU 14 CO 0.56 0.16 1.15 -0.44 0.02 0.00 0.00 176.35 177.79 1v31 s SER 15 N -2.34 4.62 0.20 2.29 0.01 -1.26 -4.72 113.70 112.49 1v31 s SER 15 Ca 0.19 0.76 -0.11 0.00 1.31 0.00 0.00 55.95 58.10 1v31 s SER 15 Cb -0.10 -1.30 0.20 0.00 0.21 0.00 0.00 66.02 65.03 1v31 s SER 15 CO 0.11 -1.82 1.79 0.74 0.41 0.00 0.00 173.24 174.47 1v31 h THR 16 N -0.96 0.93 -0.04 1.44 2.02 -1.97 1.45 112.91 115.77 1v31 h THR 16 Ca -0.46 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1v31 h THR 16 Cb 1.32 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1v31 h THR 16 CO 0.65 0.10 -0.06 0.00 0.37 0.00 0.00 175.52 176.58 1v31 h ALA 17 N 1.33 0.07 -0.94 6.16 0.00 -1.96 -2.95 119.26 120.96 1v31 h ALA 17 Ca 0.27 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1v31 h ALA 17 Cb 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1v31 h ALA 17 CO -0.19 -0.12 0.61 1.25 0.00 0.00 0.00 179.25 180.80 1v31 h LEU 18 N -0.36 0.98 -0.03 0.00 5.85 -1.82 0.35 115.31 120.28 1v31 h LEU 18 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1v31 h LEU 18 Cb 0.59 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1v31 h LEU 18 CO 0.01 0.64 0.00 0.23 -0.34 0.00 0.00 178.44 178.99 1v31 n MET 19 N -4.47 0.01 0.00 1.25 2.81 0.49 -0.42 117.12 116.78 1v31 n MET 19 Ca 0.14 0.36 0.07 0.00 -1.81 0.00 0.00 57.70 56.46 1v31 n MET 19 Cb 0.16 -1.51 0.05 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.52 2.05 -0.05 7.83 9.92 0.12 -3.05 116.55 131.84 1v31 n ASP 20 Ca 0.02 -1.53 -0.22 0.00 -0.53 0.00 0.00 54.79 52.54 1v31 n ASP 20 Cb 0.10 0.07 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 1v31 n ASP 20 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1v31 n VAL 21 N 0.64 1.67 -0.02 2.53 0.31 0.44 -4.78 118.33 119.12 1v31 n VAL 21 Ca 0.08 -0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 63.90 1v31 n VAL 21 Cb 0.34 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1v31 n VAL 21 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v31 n LEU 22 N -3.80 1.01 0.00 7.52 4.77 -1.03 -5.02 117.00 120.45 1v31 n LEU 22 Ca -0.34 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1v31 n LEU 22 Cb 0.92 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1v31 n LEU 22 CO 0.32 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1v31 n GLY 23 N 2.65 1.61 3.45 -0.72 0.00 -1.17 -5.09 105.19 105.92 1v31 n GLY 23 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 1v31 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1v31 s ILE 24 N -2.00 2.38 -0.09 -0.61 -4.36 -1.26 -5.04 121.20 110.22 1v31 s ILE 24 Ca 0.00 -2.29 0.09 0.00 -0.26 0.00 0.00 60.65 58.19 1v31 s ILE 24 Cb 0.00 -2.23 -0.13 0.00 1.25 0.00 0.00 42.46 41.35 1v31 s ILE 24 CO 0.00 -0.34 0.06 1.21 0.24 0.00 0.00 174.94 176.12 1v31 n GLU 25 N -0.36 2.05 -3.31 0.37 4.07 -1.26 -4.38 120.64 117.82 1v31 n GLU 25 Ca -0.07 -0.02 0.01 0.00 -0.06 0.00 0.00 57.16 57.02 1v31 n GLU 25 Cb 0.59 -1.26 -0.03 0.00 -0.06 0.00 0.00 31.44 30.68 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1v31 s VAL 26 N -2.32 -0.96 0.19 6.31 0.11 -1.26 -0.16 120.40 122.31 1v31 s VAL 26 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1v31 s VAL 26 Cb 0.04 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1v31 s VAL 26 CO 0.42 -0.01 0.07 -0.70 -3.33 0.00 0.00 175.10 171.56 1v31 s GLU 27 N 2.84 1.16 0.00 1.54 2.56 0.01 -4.85 118.70 121.95 1v31 s GLU 27 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 54.97 53.51 1v31 s GLU 27 Cb -0.14 -0.00 0.00 0.00 2.00 0.00 0.00 34.13 35.99 1v31 s GLU 27 CO -0.20 -0.27 0.00 0.25 -0.56 0.00 0.00 175.26 174.49 1v31 n THR 28 N -0.26 0.00 0.02 -1.70 -2.24 -1.26 -0.78 114.28 108.06 1v31 n THR 28 Ca -0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1v31 n THR 28 Cb 0.65 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.27 0.16 -0.78 2.43 -1.96 -3.32 114.38 111.17 1v31 h ARG 29 Ca 0.00 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1v31 h ARG 29 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1v31 h ARG 29 CO 0.00 1.22 -0.08 -1.00 -1.51 0.00 0.00 179.97 178.60 1v31 h PRO 30 N -0.33 -0.20 -0.82 0.20 0.13 -1.98 -2.72 132.00 126.28 1v31 h PRO 30 Ca -0.25 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.15 1v31 h PRO 30 Cb 1.72 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.75 1v31 h PRO 30 CO 0.09 0.16 0.13 0.54 -0.23 0.00 0.00 178.00 178.69 1v31 n ARG 31 N -4.90 -0.06 0.18 0.86 5.12 -1.26 0.19 116.66 116.79 1v31 n ARG 31 Ca -0.06 1.20 -0.08 0.00 -1.93 0.00 0.00 57.85 56.98 1v31 n ARG 31 Cb 0.23 -1.97 -0.04 0.00 -1.16 0.00 0.00 32.46 29.52 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 -0.83 0.55 2.04 -1.66 0.66 117.51 118.27 1v31 h ILE 32 Ca 0.55 -0.26 0.20 0.00 1.00 0.00 0.00 64.86 66.35 1v31 h ILE 32 Cb 1.25 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.18 1v31 h ILE 32 CO -0.73 0.00 0.04 0.40 0.00 0.00 0.00 178.15 177.86 1v31 h ILE 33 N -0.76 0.27 -0.04 -0.67 2.04 -0.19 0.37 117.51 118.54 1v31 h ILE 33 Ca -0.05 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1v31 h ILE 33 Cb 0.38 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1v31 h ILE 33 CO 0.08 0.02 0.01 0.00 0.00 0.00 0.00 178.15 178.26 1v31 h ALA 34 N 1.78 0.05 -1.08 1.87 0.00 0.20 0.29 119.26 122.37 1v31 h ALA 34 Ca 0.47 -0.14 0.31 0.00 0.00 0.00 0.00 54.91 55.56 1v31 h ALA 34 Cb 0.88 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1v31 h ALA 34 CO -0.72 -0.32 0.66 0.00 0.00 0.00 0.00 179.25 178.88 1v31 h ALA 35 N 0.76 2.18 0.04 0.00 0.00 0.42 1.64 119.26 124.30 1v31 h ALA 35 Ca 0.01 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 1v31 h ALA 35 Cb 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1v31 h ALA 35 CO 0.00 -0.70 -1.03 0.82 0.00 0.00 0.00 179.25 178.34 1v31 h ILE 36 N 0.34 1.56 -0.17 0.00 2.04 -0.36 0.02 117.51 120.95 1v31 h ILE 36 Ca 0.69 -3.01 -0.00 0.00 1.00 0.00 0.00 64.86 63.54 1v31 h ILE 36 Cb 1.72 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 40.53 1v31 h ILE 36 CO -0.44 0.87 0.09 -0.50 0.00 0.00 0.00 178.15 178.17 1v31 h TRP 37 N 0.06 0.23 -0.16 1.37 4.06 0.43 0.25 115.95 122.19 1v31 h TRP 37 Ca -0.06 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 1v31 h TRP 37 Cb 1.74 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 29.82 1v31 h TRP 37 CO 0.03 0.24 -0.16 1.25 -3.56 0.00 0.00 178.44 176.25 1v31 h HIS 38 N 0.16 0.46 -0.04 0.49 -0.00 -0.05 -3.20 115.15 112.97 1v31 h HIS 38 Ca 0.06 -0.14 0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1v31 h HIS 38 Cb 0.09 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 1v31 h HIS 38 CO -0.03 0.77 -0.34 -0.92 -0.00 0.00 0.00 177.93 177.40 1v31 h TYR 39 N 0.02 -0.96 -0.99 5.26 3.20 -0.80 0.28 116.97 122.98 1v31 h TYR 39 Ca 0.02 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.03 1v31 h TYR 39 Cb 0.69 0.43 -0.13 0.00 1.54 0.00 0.00 36.73 39.27 1v31 h TYR 39 CO 0.08 -0.43 -0.56 0.28 -1.64 0.00 0.00 178.16 175.90 1v31 h VAL 40 N -0.48 0.00 -0.67 1.81 2.07 -0.55 1.56 116.25 120.00 1v31 h VAL 40 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1v31 h VAL 40 Cb 0.58 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1v31 h VAL 40 CO -0.30 0.00 0.44 0.11 0.02 0.00 0.00 177.57 177.84 1v31 h LYS 41 N -0.01 0.88 -0.15 1.57 1.57 -1.42 1.51 116.57 120.52 1v31 h LYS 41 Ca 0.19 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1v31 h LYS 41 Cb 0.44 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1v31 h LYS 41 CO -0.94 0.58 -0.39 0.00 -0.57 0.00 0.00 179.45 178.13 1v31 h ALA 42 N 1.58 -0.73 -0.31 3.86 0.00 0.58 0.24 119.26 124.49 1v31 h ALA 42 Ca 0.24 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1v31 h ALA 42 Cb -0.10 0.92 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1v31 h ALA 42 CO -0.05 -0.88 0.22 0.54 0.00 0.00 0.00 179.25 179.08 1v31 n ARG 43 N -4.59 1.42 -4.31 0.00 3.00 -0.22 -4.81 116.66 107.16 1v31 n ARG 43 Ca -0.04 -0.96 -0.39 0.00 -0.01 0.00 0.00 57.85 56.45 1v31 n ARG 43 Cb 0.26 -1.38 -0.08 0.00 0.00 0.00 0.00 32.46 31.27 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1v31 n LYS 44 N 0.15 -0.74 0.11 5.56 5.02 0.85 -4.74 118.16 124.38 1v31 n LYS 44 Ca 0.19 0.13 -0.02 0.00 -2.02 0.00 0.00 58.31 56.58 1v31 n LYS 44 Cb 0.80 -4.30 0.05 0.00 -0.02 0.00 0.00 35.03 31.56 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 -0.85 0.00 -9.10 -0.35 3.38 0.19 -3.46 115.31 105.12 1v31 h LEU 45 Ca -0.56 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.80 1v31 h LEU 45 Cb 1.29 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.20 1v31 h LEU 45 CO 0.82 0.73 -0.87 1.67 0.09 0.00 0.00 178.44 180.88 1v31 n GLN 46 N -3.49 0.13 -3.67 1.13 7.27 -1.20 0.41 117.38 117.96 1v31 n GLN 46 Ca -0.00 0.05 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 1v31 n GLN 46 Cb 0.76 -1.14 -0.07 0.00 2.41 0.00 0.00 30.24 32.19 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 -1.01 6.34 0.14 1.69 3.84 -1.18 -4.54 114.94 120.23 1v31 s ASN 47 Ca 0.60 0.39 -0.04 0.00 0.21 0.00 0.00 52.86 54.03 1v31 s ASN 47 Cb -0.57 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1v31 s ASN 47 CO 0.62 0.19 1.35 1.55 -2.79 0.00 0.00 177.10 178.02 1v31 h PRO 48 N 6.36 0.42 0.77 0.43 0.13 -1.91 -3.32 132.00 134.89 1v31 h PRO 48 Ca -0.43 -0.41 -0.04 0.00 -0.87 0.00 0.00 66.00 64.25 1v31 h PRO 48 Cb 1.17 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1v31 h PRO 48 CO 0.73 1.06 -0.37 -0.91 -0.23 0.00 0.00 178.00 178.28 1v31 h ASN 49 N 0.26 -0.88 -3.33 1.44 4.21 -1.97 -3.41 115.58 111.90 1v31 h ASN 49 Ca -0.06 0.01 -0.66 0.00 1.21 0.00 0.00 56.30 56.80 1v31 h ASN 49 Cb 1.48 0.23 -0.30 0.00 -1.12 0.00 0.00 38.32 38.60 1v31 h ASN 49 CO 0.15 -0.55 -0.76 -1.81 -1.29 0.00 0.00 177.43 173.17 1v31 s ASP 50 N -4.34 4.01 0.31 5.81 1.11 -1.25 -4.97 116.67 117.35 1v31 s ASP 50 Ca -0.17 -0.52 0.26 0.00 0.18 0.00 0.00 52.55 52.30 1v31 s ASP 50 Cb 0.02 -1.66 0.89 0.00 1.07 0.00 0.00 42.92 43.24 1v31 s ASP 50 CO 0.54 -0.03 1.76 1.55 1.18 0.00 0.00 175.17 180.17 1v31 h PRO 51 N 8.06 0.00 0.00 8.23 0.13 -1.80 -2.63 132.00 143.98 1v31 h PRO 51 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1v31 h PRO 51 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1v31 h PRO 51 CO 0.61 0.00 -0.53 1.03 -0.23 0.00 0.00 178.00 178.88 1v31 h SER 52 N 0.00 0.00 -0.42 1.44 0.87 -1.93 -3.47 113.55 110.04 1v31 h SER 52 Ca 0.00 -0.12 -0.59 0.00 -1.23 0.00 0.00 61.79 59.84 1v31 h SER 52 Cb 0.61 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1v31 h SER 52 CO 0.00 0.06 -0.28 -0.36 -0.53 0.00 0.00 176.83 175.72 1v31 s PHE 53 N -3.19 1.47 -0.08 2.24 0.08 -0.99 0.19 117.98 117.70 1v31 s PHE 53 Ca 0.06 -0.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.92 1v31 s PHE 53 Cb 0.12 -1.89 0.11 0.00 -0.57 0.00 0.00 43.02 40.79 1v31 s PHE 53 CO 0.71 -0.55 0.95 -0.59 -0.10 0.00 0.00 175.22 175.64 1v31 s PHE 54 N -2.81 -0.34 0.18 0.36 -0.12 -0.00 -3.08 117.98 112.17 1v31 s PHE 54 Ca 0.32 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 57.26 1v31 s PHE 54 Cb -0.03 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1v31 s PHE 54 CO 0.20 -0.44 1.07 -0.80 -0.05 0.00 0.00 175.22 175.20 1v31 s ASN 55 N -1.97 7.33 -0.45 1.98 0.01 0.16 -1.62 114.94 120.38 1v31 s ASN 55 Ca 0.03 2.04 -0.14 0.00 -0.71 0.00 0.00 52.86 54.09 1v31 s ASN 55 Cb -0.01 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 39.12 1v31 s ASN 55 CO -0.05 -0.17 0.34 0.00 -1.51 0.00 0.00 177.10 175.72 1v31 n ASP 57 N 5.11 -2.12 -0.14 0.00 8.00 -1.26 -4.33 116.55 121.81 1v31 n ASP 57 Ca -0.12 -0.14 -0.00 0.00 0.71 0.00 0.00 54.79 55.25 1v31 n ASP 57 Cb 0.44 -0.17 0.26 0.00 -0.02 0.00 0.00 41.12 41.63 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v31 h ALA 58 N -2.15 1.41 0.08 2.24 0.00 -1.99 -0.45 119.26 118.41 1v31 h ALA 58 Ca -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v31 h ALA 58 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1v31 h ALA 58 CO 0.04 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1v31 h ALA 59 N 1.50 -0.54 -1.50 0.00 0.00 -1.96 -2.46 119.26 114.30 1v31 h ALA 59 Ca 0.22 -0.02 0.50 0.00 0.00 0.00 0.00 54.91 55.60 1v31 h ALA 59 Cb 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 1v31 h ALA 59 CO -0.03 -0.53 0.99 -0.07 0.00 0.00 0.00 179.25 179.61 1v31 h LEU 60 N -0.18 0.16 0.13 0.00 3.38 -1.85 0.13 115.31 117.08 1v31 h LEU 60 Ca -0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1v31 h LEU 60 Cb 0.08 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1v31 h LEU 60 CO 0.02 -0.20 -0.06 1.56 0.09 0.00 0.00 178.44 179.84 1v31 h GLN 61 N 0.01 -0.17 -1.92 1.13 1.08 -1.03 0.64 115.11 114.85 1v31 h GLN 61 Ca 0.89 0.01 0.56 0.00 -1.45 0.00 0.00 58.65 58.67 1v31 h GLN 61 Cb 3.01 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 30.40 1v31 h GLN 61 CO -0.37 -0.11 1.38 0.87 -0.95 0.00 0.00 178.83 179.64 1v31 h LYS 62 N -0.18 0.00 0.02 1.46 1.79 -0.27 1.44 116.57 120.83 1v31 h LYS 62 Ca -0.02 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1v31 h LYS 62 Cb 0.13 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1v31 h LYS 62 CO 0.03 0.00 -0.01 0.28 -1.08 0.00 0.00 179.45 178.67 1v31 h VAL 63 N 0.00 0.00 0.04 0.50 2.07 -0.88 -3.43 116.25 114.56 1v31 h VAL 63 Ca 0.93 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 68.26 1v31 h VAL 63 Cb 3.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1v31 h VAL 63 CO -0.05 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.26 1v31 h PHE 64 N -0.23 -0.06 0.00 1.57 0.04 0.30 -3.49 116.94 115.08 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 0.03 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1v31 h PHE 64 CO 0.02 -0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 1v31 n GLY 65 N 1.45 0.91 3.54 -1.45 0.00 0.47 -5.01 105.19 105.09 1v31 n GLY 65 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 2.91 0.28 1.61 2.02 -1.26 -5.00 118.70 119.01 1v31 s GLU 66 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1v31 s GLU 66 Cb 0.00 -2.62 0.65 0.00 0.10 0.00 0.00 34.13 32.26 1v31 s GLU 66 CO 0.00 0.56 1.67 1.05 0.02 0.00 0.00 175.26 178.56 1v31 h GLU 67 N 5.58 0.26 -4.73 1.61 4.11 -1.95 -3.40 114.58 116.05 1v31 h GLU 67 Ca -0.44 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 58.71 1v31 h GLU 67 Cb 1.18 -0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.20 1v31 h GLU 67 CO 0.54 0.17 -0.71 -1.59 0.07 0.00 0.00 179.01 177.49 1v31 s LYS 68 N -5.95 0.78 0.19 1.06 -2.85 -1.26 0.18 119.74 111.89 1v31 s LYS 68 Ca -0.12 -1.18 -0.04 0.00 -1.00 0.00 0.00 55.97 53.63 1v31 s LYS 68 Cb 0.25 -0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.66 1v31 s LYS 68 CO 0.77 0.03 0.19 -1.17 0.10 0.00 0.00 175.35 175.27 1v31 s LEU 69 N -2.60 1.14 0.30 2.77 0.20 -0.64 -4.91 118.68 114.95 1v31 s LEU 69 Ca 0.06 -1.19 -0.11 0.00 0.69 0.00 0.00 54.13 53.58 1v31 s LEU 69 Cb -0.00 0.70 -0.07 0.00 -0.43 0.00 0.00 46.19 46.39 1v31 s LEU 69 CO -0.02 -0.87 0.65 -0.54 -0.29 0.00 0.00 176.35 175.28 1v31 s LYS 70 N -4.08 3.83 0.38 1.98 1.02 -1.26 -0.82 119.74 120.79 1v31 s LYS 70 Ca 0.29 0.39 0.28 0.00 0.02 0.00 0.00 55.97 56.95 1v31 s LYS 70 Cb 0.05 -2.53 1.01 0.00 -0.52 0.00 0.00 37.83 35.85 1v31 s LYS 70 CO 0.07 0.18 1.81 0.74 -0.92 0.00 0.00 175.35 177.23 1v31 h PHE 71 N 2.04 0.00 0.03 3.18 0.04 0.19 -2.78 116.94 119.64 1v31 h PHE 71 Ca -0.47 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.91 1v31 h PHE 71 Cb 1.18 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 1v31 h PHE 71 CO 0.61 0.00 -2.32 0.25 -0.60 0.00 0.00 178.31 176.25 1v31 n THR 72 N -2.67 1.57 0.05 -1.55 -2.24 -1.26 -4.28 114.28 103.90 1v31 n THR 72 Ca 0.02 -0.56 0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1v31 n THR 72 Cb 0.33 -1.56 0.56 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.09 0.25 -1.62 -0.78 2.86 -1.91 -1.39 114.93 112.24 1v31 h MET 73 Ca -0.54 -0.01 0.47 0.00 -2.06 0.00 0.00 59.70 57.55 1v31 h MET 73 Cb 1.89 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.43 1v31 h MET 73 CO -0.07 0.16 1.27 0.28 1.06 0.00 0.00 176.91 179.61 1v31 h VAL 74 N 0.25 0.08 0.10 -2.22 2.07 -1.68 1.36 116.25 116.21 1v31 h VAL 74 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1v31 h VAL 74 Cb 0.32 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1v31 h VAL 74 CO -0.03 0.00 -0.05 0.28 0.02 0.00 0.00 177.57 177.79 1v31 h SER 75 N 0.00 -0.11 -0.46 0.57 0.02 -1.53 0.16 113.55 112.20 1v31 h SER 75 Ca 0.77 -0.32 -0.27 0.00 -0.84 0.00 0.00 61.79 61.13 1v31 h SER 75 Cb 3.30 0.03 -0.14 0.00 0.14 0.00 0.00 62.40 65.73 1v31 h SER 75 CO -0.01 0.27 0.35 0.00 -1.14 0.00 0.00 176.83 176.30 1v31 n GLN 76 N -4.97 1.66 0.06 3.45 10.64 0.46 -3.38 117.38 125.29 1v31 n GLN 76 Ca -0.09 -1.45 0.00 0.00 -1.83 0.00 0.00 57.00 53.64 1v31 n GLN 76 Cb 0.22 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 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 0.00 0.00 0.26 2.61 4.76 -0.61 -4.81 118.16 120.37 1v31 n LYS 77 Ca 0.28 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.83 1v31 n LYS 77 Cb 0.85 -0.10 0.68 0.00 -1.84 0.00 0.00 35.03 34.62 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 0.77 -0.54 -0.18 -0.00 -1.09 -2.56 117.51 113.92 1v31 h ILE 78 Ca 0.00 -0.44 0.11 0.00 -0.00 0.00 0.00 64.86 64.53 1v31 h ILE 78 Cb 0.11 1.26 -0.10 0.00 -0.00 0.00 0.00 36.82 38.10 1v31 h ILE 78 CO 0.00 0.11 -0.10 0.77 -0.00 0.00 0.00 178.15 178.93 1v31 h SER 79 N 0.00 -0.43 -0.97 2.16 4.64 -1.76 0.90 113.55 118.09 1v31 h SER 79 Ca -0.00 0.15 0.28 0.00 -0.47 0.00 0.00 61.79 61.76 1v31 h SER 79 Cb 0.25 0.31 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1v31 h SER 79 CO 0.01 -0.16 0.74 0.45 -0.87 0.00 0.00 176.83 177.01 1v31 h HIS 80 N 0.03 0.00 0.08 4.77 3.86 -1.78 0.62 115.15 122.73 1v31 h HIS 80 Ca 0.27 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.15 1v31 h HIS 80 Cb 0.41 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1v31 h HIS 80 CO -0.42 0.00 -1.78 0.45 0.86 0.00 0.00 177.93 177.04 1v31 h HIS 81 N 0.00 0.32 -1.98 2.45 3.86 0.41 -3.46 115.15 116.75 1v31 h HIS 81 Ca 0.46 -0.23 -0.63 0.00 -1.16 0.00 0.00 60.37 58.81 1v31 h HIS 81 Cb 1.94 -0.01 0.06 0.00 1.06 0.00 0.00 27.41 30.45 1v31 h HIS 81 CO 0.00 1.42 0.63 1.28 0.86 0.00 0.00 177.93 182.12 1v31 n LEU 82 N -3.33 2.39 -4.26 2.43 4.77 0.22 -4.51 117.00 114.70 1v31 n LEU 82 Ca -0.23 1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.70 1v31 n LEU 82 Cb 1.05 -1.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 1v31 n LEU 82 CO 0.46 -0.66 -0.42 -0.44 -1.33 0.00 0.00 177.39 175.00 1v31 s SER 83 N 0.77 1.93 -0.07 -1.43 0.01 -1.14 -4.90 113.70 108.86 1v31 s SER 83 Ca 0.82 -0.98 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1v31 s SER 83 Cb -0.82 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1v31 s SER 83 CO 0.43 -0.28 1.23 -2.16 0.41 0.00 0.00 173.24 172.87 1v31 s PRO 84 N -3.55 4.32 0.98 12.44 0.04 -1.26 0.12 135.00 148.09 1v31 s PRO 84 Ca 0.16 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1v31 s PRO 84 Cb 0.01 -3.60 0.18 0.00 0.04 0.00 0.00 34.50 31.13 1v31 s PRO 84 CO 0.02 -0.51 1.17 -1.25 0.04 0.00 0.00 177.00 176.47 1v31 s PRO 85 N 2.49 0.53 0.63 0.56 0.04 -1.26 -4.74 135.00 133.25 1v31 s PRO 85 Ca 0.56 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.52 1v31 s PRO 85 Cb -0.25 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1v31 s PRO 85 CO 0.21 -2.56 1.05 -1.25 0.04 0.00 0.00 177.00 174.49 1v31 s PRO 86 N -5.45 3.22 -0.08 0.56 0.04 -1.26 -5.00 135.00 127.03 1v31 s PRO 86 Ca 0.68 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.55 1v31 s PRO 86 Cb -0.11 -2.02 -0.21 0.00 0.04 0.00 0.00 34.50 32.20 1v31 s PRO 86 CO 0.54 -0.88 0.92 -1.00 0.04 0.00 0.00 177.00 176.62 1v31 h PRO 87 N 0.03 -0.05 -5.13 0.56 0.13 -2.05 -3.50 132.00 122.00 1v31 h PRO 87 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1v31 h PRO 87 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1v31 h PRO 87 CO 0.57 0.62 -1.05 0.43 -0.23 0.00 0.00 178.00 178.35 1v31 n SER 88 N -4.77 -7.50 0.00 1.44 7.64 -1.26 -5.05 113.62 104.11 1v31 n SER 88 Ca -0.09 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1v31 n SER 88 Cb 0.34 -5.36 0.00 0.00 -1.01 0.00 0.00 64.21 58.17 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 89 N 0.78 0.35 3.58 0.23 0.00 -1.26 -4.91 105.19 103.96 1v31 n GLY 89 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1v31 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v31 s PRO 90 N 0.00 3.22 -0.41 1.61 0.04 -1.26 -4.66 135.00 133.53 1v31 s PRO 90 Ca 0.00 -1.38 0.01 0.00 0.04 0.00 0.00 61.00 59.66 1v31 s PRO 90 Cb 0.00 -5.35 0.19 0.00 0.04 0.00 0.00 34.50 29.38 1v31 s PRO 90 CO 0.00 -3.03 0.85 -1.12 0.04 0.00 0.00 177.00 173.74 1v31 s SER 91 N 5.60 -0.99 -0.46 6.66 0.01 -1.26 -5.08 113.70 118.18 1v31 s SER 91 Ca 0.60 -0.84 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1v31 s SER 91 Cb 0.01 1.28 0.18 0.00 0.21 0.00 0.00 66.02 67.70 1v31 s SER 91 CO 0.07 -0.07 0.56 -0.44 0.41 0.00 0.00 173.24 173.76 1v31 s SER 92 N 1.40 -0.26 0.00 2.44 0.01 -1.26 -5.15 113.70 110.88 1v31 s SER 92 Ca 0.21 -2.06 0.00 0.00 1.31 0.00 0.00 55.95 55.41 1v31 s SER 92 Cb 0.02 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.28 1v31 s SER 92 CO -0.09 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.05