#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 7.22 -0.44 1.61 1.04 -1.26 -5.01 113.70 116.87 1v31 s SER 2 Ca 0.00 1.94 0.04 0.00 0.48 0.00 0.00 55.95 58.41 1v31 s SER 2 Cb 0.00 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.65 1v31 s SER 2 CO 0.00 -0.33 0.17 -0.55 0.98 0.00 0.00 173.24 173.52 1v31 s SER 3 N 0.65 4.40 0.00 7.02 0.15 -1.26 -4.90 113.70 119.76 1v31 s SER 3 Ca 0.54 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1v31 s SER 3 Cb -0.27 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1v31 s SER 3 CO 0.31 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1v31 n GLY 4 N 3.66 0.18 2.41 9.45 0.00 -1.26 -5.12 105.19 114.51 1v31 n GLY 4 Ca 0.05 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.78 -3.68 1.61 7.64 -1.26 -5.04 113.62 112.12 1v31 n SER 5 Ca 0.00 -2.47 -0.28 0.00 1.01 0.00 0.00 58.87 57.13 1v31 n SER 5 Cb 0.00 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.00 3.36 0.00 6.43 0.15 -1.26 -4.83 113.70 117.55 1v31 s SER 6 Ca 0.33 -3.20 0.00 0.00 0.70 0.00 0.00 55.95 53.78 1v31 s SER 6 Cb 0.05 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1v31 s SER 6 CO -0.18 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1v31 n GLY 7 N 2.77 2.60 3.63 9.45 0.00 -1.26 -5.13 105.19 117.26 1v31 n GLY 7 Ca 0.19 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.87 -0.70 1.61 0.24 -1.26 -5.01 118.33 115.08 1v31 n VAL 8 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1v31 n VAL 8 Cb 0.00 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 1v31 n VAL 8 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1v31 n PRO 9 N -2.73 -0.40 -5.08 7.34 -0.04 -1.26 -5.07 135.00 127.77 1v31 n PRO 9 Ca 0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 1v31 n PRO 9 Cb 0.51 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.80 3.12 0.22 0.54 -1.05 -1.26 -5.09 118.70 112.38 1v31 s GLU 10 Ca 0.00 -0.82 0.10 0.00 -0.15 0.00 0.00 54.97 54.10 1v31 s GLU 10 Cb 0.00 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1v31 s GLU 10 CO 0.00 0.21 -0.08 0.15 0.95 0.00 0.00 175.26 176.49 1v31 s LYS 11 N 0.30 2.09 -0.03 -4.83 1.02 -1.26 -4.11 119.74 112.92 1v31 s LYS 11 Ca -0.15 -1.39 -0.00 0.00 0.02 0.00 0.00 55.97 54.45 1v31 s LYS 11 Cb -0.17 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1v31 s LYS 11 CO 0.08 0.40 0.02 -0.06 -0.92 0.00 0.00 175.35 174.86 1v31 s PHE 12 N -2.02 0.19 0.29 3.18 0.08 -0.29 -4.53 117.98 114.88 1v31 s PHE 12 Ca 0.28 0.09 -0.30 0.00 0.12 0.00 0.00 56.93 57.11 1v31 s PHE 12 Cb -0.07 -0.39 -0.12 0.00 -0.57 0.00 0.00 43.02 41.87 1v31 s PHE 12 CO 0.17 -0.14 1.57 1.17 -0.10 0.00 0.00 175.22 177.89 1v31 n LYS 13 N 4.44 2.64 -2.43 0.44 0.00 0.48 -3.43 118.16 120.29 1v31 n LYS 13 Ca -0.21 0.94 -0.29 0.00 0.00 0.00 0.00 58.31 58.74 1v31 n LYS 13 Cb 0.50 -2.71 -0.00 0.00 0.00 0.00 0.00 35.03 32.82 1v31 n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1v31 s LEU 14 N -0.53 3.54 0.66 3.14 1.02 -0.54 -2.43 118.68 123.55 1v31 s LEU 14 Ca 0.64 1.13 -0.07 0.00 0.02 0.00 0.00 54.13 55.84 1v31 s LEU 14 Cb -0.51 -4.10 0.04 0.00 0.02 0.00 0.00 46.19 41.64 1v31 s LEU 14 CO 0.50 -0.64 0.99 -0.44 0.02 0.00 0.00 176.35 176.77 1v31 s SER 15 N -3.95 5.19 0.20 2.29 0.01 -1.26 -4.81 113.70 111.37 1v31 s SER 15 Ca 0.51 0.66 -0.10 0.00 1.31 0.00 0.00 55.95 58.33 1v31 s SER 15 Cb -0.10 -1.46 0.15 0.00 0.21 0.00 0.00 66.02 64.82 1v31 s SER 15 CO 0.45 -1.37 1.82 0.74 0.41 0.00 0.00 173.24 175.29 1v31 h THR 16 N -0.46 1.23 -0.01 1.44 2.02 -1.97 0.97 112.91 116.13 1v31 h THR 16 Ca -0.45 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1v31 h THR 16 Cb 1.29 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1v31 h THR 16 CO 0.61 0.26 -0.03 0.00 0.37 0.00 0.00 175.52 176.73 1v31 h ALA 17 N 1.21 0.02 -0.81 6.16 0.00 -1.96 -2.79 119.26 121.09 1v31 h ALA 17 Ca 0.26 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1v31 h ALA 17 Cb 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1v31 h ALA 17 CO -0.04 -0.16 0.52 1.25 0.00 0.00 0.00 179.25 180.82 1v31 h LEU 18 N -0.53 0.86 -1.01 0.00 5.85 -1.85 0.20 115.31 118.84 1v31 h LEU 18 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1v31 h LEU 18 Cb 0.62 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1v31 h LEU 18 CO 0.01 0.59 0.00 0.23 -0.34 0.00 0.00 178.44 178.93 1v31 n MET 19 N -4.58 0.14 0.00 1.25 2.81 0.34 -0.42 117.12 116.65 1v31 n MET 19 Ca 0.10 0.54 0.11 0.00 -1.81 0.00 0.00 57.70 56.63 1v31 n MET 19 Cb 0.09 -1.87 -0.13 0.00 -0.71 0.00 0.00 33.22 30.60 1v31 n MET 19 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1v31 n ASP 20 N -2.15 0.45 -0.07 7.83 2.03 0.58 -2.54 116.55 122.68 1v31 n ASP 20 Ca 0.00 -0.37 -0.10 0.00 0.52 0.00 0.00 54.79 54.84 1v31 n ASP 20 Cb 0.10 1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 41.88 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1v31 h VAL 21 N 0.00 1.14 0.00 5.18 2.07 0.66 -3.42 116.25 121.87 1v31 h VAL 21 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1v31 h VAL 21 Cb 0.79 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1v31 h VAL 21 CO 0.00 0.39 -0.53 0.18 0.02 0.00 0.00 177.57 177.62 1v31 n LEU 22 N -4.65 1.38 0.00 2.57 4.77 -0.69 -5.05 117.00 115.33 1v31 n LEU 22 Ca -0.08 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1v31 n LEU 22 Cb 0.34 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1v31 n LEU 22 CO 0.22 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1v31 n GLY 23 N 1.57 1.43 0.21 -0.72 0.00 -1.05 -5.07 105.19 101.56 1v31 n GLY 23 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.25 -5.04 119.36 107.09 1v31 n ILE 24 Ca 0.00 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1v31 n ILE 24 Cb 0.00 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 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 -3.62 6.28 2.13 -1.26 -4.65 120.64 119.09 1v31 n GLU 25 Ca -0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.52 1v31 n GLU 25 Cb 0.04 -0.18 -0.14 0.00 0.27 0.00 0.00 31.44 31.42 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 -1.49 0.56 0.21 6.31 1.01 -1.26 -1.47 120.40 124.27 1v31 s VAL 26 Ca 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 60.57 1v31 s VAL 26 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1v31 s VAL 26 CO 0.00 -0.79 -0.15 -0.70 0.00 0.00 0.00 175.10 173.46 1v31 s GLU 27 N 1.42 1.36 0.00 2.72 2.56 -1.22 -4.90 118.70 120.63 1v31 s GLU 27 Ca 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 54.97 53.49 1v31 s GLU 27 Cb -0.19 -1.18 0.00 0.00 2.00 0.00 0.00 34.13 34.76 1v31 s GLU 27 CO -0.18 0.20 0.00 0.25 -0.56 0.00 0.00 175.26 174.96 1v31 n THR 28 N -0.40 0.00 -0.01 -1.70 -2.24 -1.26 -1.14 114.28 107.53 1v31 n THR 28 Ca -0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 1v31 n THR 28 Cb 0.60 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.18 0.13 -0.78 2.43 -1.96 -3.33 114.38 111.05 1v31 h ARG 29 Ca 0.00 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 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 1.15 -0.06 -1.00 -1.51 0.00 0.00 179.97 178.55 1v31 h PRO 30 N -0.56 -0.16 -0.91 0.20 0.13 -1.94 -2.97 132.00 125.78 1v31 h PRO 30 Ca -0.18 0.01 0.36 0.00 -0.87 0.00 0.00 66.00 65.32 1v31 h PRO 30 Cb 1.49 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.52 1v31 h PRO 30 CO 0.05 0.27 0.53 0.54 -0.23 0.00 0.00 178.00 179.16 1v31 n ARG 31 N -4.87 -0.04 0.15 0.86 5.12 -1.26 0.47 116.66 117.09 1v31 n ARG 31 Ca -0.07 1.10 -0.07 0.00 -1.93 0.00 0.00 57.85 56.88 1v31 n ARG 31 Cb 0.25 -2.03 -0.03 0.00 -1.16 0.00 0.00 32.46 29.49 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 -0.98 0.55 2.04 -1.67 0.15 117.51 117.61 1v31 h ILE 32 Ca 0.70 -0.45 0.31 0.00 1.00 0.00 0.00 64.86 66.42 1v31 h ILE 32 Cb 1.99 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.89 1v31 h ILE 32 CO -0.56 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.18 1v31 h ILE 33 N -0.89 0.05 -0.06 -0.67 2.04 0.19 0.99 117.51 119.16 1v31 h ILE 33 Ca -0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1v31 h ILE 33 Cb 0.34 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1v31 h ILE 33 CO 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 178.15 178.19 1v31 h ALA 34 N 1.97 0.08 -1.21 1.87 0.00 -0.51 -1.40 119.26 120.07 1v31 h ALA 34 Ca 0.66 -0.25 0.35 0.00 0.00 0.00 0.00 54.91 55.67 1v31 h ALA 34 Cb 1.48 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1v31 h ALA 34 CO -0.85 -0.15 0.92 0.00 0.00 0.00 0.00 179.25 179.16 1v31 h ALA 35 N 0.59 3.12 0.12 0.00 0.00 0.39 1.62 119.26 125.10 1v31 h ALA 35 Ca 0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1v31 h ALA 35 Cb 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1v31 h ALA 35 CO 0.01 -1.54 -1.56 0.82 0.00 0.00 0.00 179.25 176.98 1v31 h ILE 36 N 0.00 1.12 -0.62 0.00 2.04 -0.50 -2.17 117.51 117.39 1v31 h ILE 36 Ca 0.57 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1v31 h ILE 36 Cb 2.40 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 41.20 1v31 h ILE 36 CO -0.01 0.81 0.39 -0.50 0.00 0.00 0.00 178.15 178.84 1v31 h TRP 37 N 0.07 0.80 0.49 1.37 4.06 0.32 -0.94 115.95 122.12 1v31 h TRP 37 Ca -0.25 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.68 1v31 h TRP 37 Cb 2.02 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.92 1v31 h TRP 37 CO 0.06 0.53 -0.24 1.25 -3.56 0.00 0.00 178.44 176.49 1v31 h HIS 38 N 0.83 -0.61 -0.98 0.49 -0.00 -0.47 -2.88 115.15 111.53 1v31 h HIS 38 Ca 0.22 -0.01 0.21 0.00 -0.00 0.00 0.00 60.37 60.79 1v31 h HIS 38 Cb -0.05 0.20 -0.18 0.00 -0.00 0.00 0.00 27.41 27.38 1v31 h HIS 38 CO -0.02 -0.32 -0.19 0.98 -0.00 0.00 0.00 177.93 178.38 1v31 n TYR 39 N -5.23 0.41 0.03 5.26 9.36 -0.81 0.19 117.16 126.36 1v31 n TYR 39 Ca -0.09 1.19 -0.02 0.00 3.32 0.00 0.00 57.90 62.30 1v31 n TYR 39 Cb 0.29 -1.10 -0.01 0.00 -0.63 0.00 0.00 39.34 37.89 1v31 n TYR 39 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1v31 h VAL 40 N 0.00 0.00 -0.84 2.97 2.07 -1.18 0.85 116.25 120.11 1v31 h VAL 40 Ca 0.50 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.20 1v31 h VAL 40 Cb 0.83 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 1v31 h VAL 40 CO -0.99 0.00 0.35 0.11 0.02 0.00 0.00 177.57 177.06 1v31 h LYS 41 N -0.09 0.41 -0.81 1.57 1.57 -0.88 0.89 116.57 119.23 1v31 h LYS 41 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1v31 h LYS 41 Cb 0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1v31 h LYS 41 CO -0.01 0.27 0.53 0.00 -0.57 0.00 0.00 179.45 179.67 1v31 h ALA 42 N 1.64 1.57 -0.47 3.86 0.00 0.25 0.25 119.26 126.36 1v31 h ALA 42 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1v31 h ALA 42 Cb 0.87 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1v31 h ALA 42 CO -0.48 0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.63 1v31 n ARG 43 N -4.47 3.40 -2.77 0.00 5.12 0.29 -4.88 116.66 113.34 1v31 n ARG 43 Ca 0.11 -2.23 -0.11 0.00 -1.93 0.00 0.00 57.85 53.70 1v31 n ARG 43 Cb 0.17 -1.87 -0.01 0.00 -1.16 0.00 0.00 32.46 29.59 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 0.67 -2.65 0.12 5.56 4.01 0.86 -4.75 118.16 121.98 1v31 n LYS 44 Ca 0.20 0.28 -0.00 0.00 -0.51 0.00 0.00 58.31 58.27 1v31 n LYS 44 Cb 0.80 -4.85 0.06 0.00 -0.51 0.00 0.00 35.03 30.54 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1v31 h LEU 45 N -0.22 0.00 -8.26 -0.35 3.38 -1.02 -3.47 115.31 105.37 1v31 h LEU 45 Ca -0.21 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.19 1v31 h LEU 45 Cb 1.14 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.04 1v31 h LEU 45 CO 0.26 0.65 -0.87 1.67 0.09 0.00 0.00 178.44 180.24 1v31 n GLN 46 N -3.41 0.00 -3.49 1.13 7.27 -1.26 -0.08 117.38 117.54 1v31 n GLN 46 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1v31 n GLN 46 Cb 0.74 -0.92 -0.06 0.00 2.41 0.00 0.00 30.24 32.41 1v31 n GLN 46 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1v31 s ASN 47 N -0.92 6.63 0.16 1.69 -0.87 -0.99 -4.55 114.94 116.09 1v31 s ASN 47 Ca 0.54 0.75 -0.01 0.00 -1.57 0.00 0.00 52.86 52.57 1v31 s ASN 47 Cb -0.59 -2.22 -0.00 0.00 -0.02 0.00 0.00 41.25 38.42 1v31 s ASN 47 CO 0.58 0.18 1.38 1.55 -2.57 0.00 0.00 177.10 178.22 1v31 h PRO 48 N 5.85 0.33 0.19 -0.60 0.13 -1.90 -3.32 132.00 132.68 1v31 h PRO 48 Ca -0.46 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.34 1v31 h PRO 48 Cb 1.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1v31 h PRO 48 CO 0.69 1.00 -0.09 -0.91 -0.23 0.00 0.00 178.00 178.46 1v31 h ASN 49 N 0.20 -0.21 -3.51 1.44 2.35 -1.96 -3.43 115.58 110.46 1v31 h ASN 49 Ca -0.05 -0.26 -0.67 0.00 -0.55 0.00 0.00 56.30 54.78 1v31 h ASN 49 Cb 1.45 0.05 -0.28 0.00 0.05 0.00 0.00 38.32 39.60 1v31 h ASN 49 CO 0.14 0.33 -0.69 -1.81 -1.65 0.00 0.00 177.43 173.75 1v31 s ASP 50 N -5.40 4.62 0.41 5.81 1.11 -1.25 -4.96 116.67 117.01 1v31 s ASP 50 Ca -0.10 -0.57 0.27 0.00 0.18 0.00 0.00 52.55 52.33 1v31 s ASP 50 Cb 0.00 -1.78 0.88 0.00 1.07 0.00 0.00 42.92 43.09 1v31 s ASP 50 CO 0.37 -0.10 1.78 1.55 1.18 0.00 0.00 175.17 179.95 1v31 h PRO 51 N 8.14 0.00 0.00 8.23 0.13 -1.84 -2.91 132.00 143.75 1v31 h PRO 51 Ca -0.36 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.57 1v31 h PRO 51 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1v31 h PRO 51 CO 0.59 0.00 -1.05 0.66 -0.23 0.00 0.00 178.00 177.98 1v31 h SER 52 N 0.00 0.00 -1.21 1.44 4.64 -1.93 -3.46 113.55 113.03 1v31 h SER 52 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1v31 h SER 52 Cb 0.69 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1v31 h SER 52 CO 0.00 0.86 -0.21 -0.36 -0.87 0.00 0.00 176.83 176.24 1v31 s PHE 53 N -2.76 2.32 -0.09 4.77 0.08 -1.10 0.16 117.98 121.36 1v31 s PHE 53 Ca 0.00 -0.52 -0.31 0.00 0.12 0.00 0.00 56.93 56.23 1v31 s PHE 53 Cb 0.09 -2.31 0.09 0.00 -0.57 0.00 0.00 43.02 40.32 1v31 s PHE 53 CO 0.80 -0.65 0.77 -0.59 -0.10 0.00 0.00 175.22 175.45 1v31 s PHE 54 N -2.47 -0.59 0.50 0.36 -0.12 -0.41 -2.35 117.98 112.91 1v31 s PHE 54 Ca 0.57 1.02 -0.21 0.00 -0.05 0.00 0.00 56.93 58.26 1v31 s PHE 54 Cb -0.08 0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1v31 s PHE 54 CO 0.35 -0.53 1.11 -0.80 -0.05 0.00 0.00 175.22 175.29 1v31 s ASN 55 N -1.12 6.05 0.01 1.98 0.01 0.88 -2.29 114.94 120.46 1v31 s ASN 55 Ca -0.08 2.12 -0.17 0.00 -0.71 0.00 0.00 52.86 54.02 1v31 s ASN 55 Cb -0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1v31 s ASN 55 CO 0.07 -0.99 0.48 0.00 -1.51 0.00 0.00 177.10 175.15 1v31 h ASP 57 N 4.99 0.00 0.00 0.00 5.19 -1.94 -3.49 116.42 121.17 1v31 h ASP 57 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1v31 h ASP 57 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1v31 h ASP 57 CO 0.64 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.80 1v31 n ALA 58 N -2.09 0.00 0.12 3.45 0.00 -1.26 -4.93 120.51 115.80 1v31 n ALA 58 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1v31 n ALA 58 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.47 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 h ALA 59 N 0.00 0.69 0.00 0.00 0.00 -1.97 -3.19 119.26 114.78 1v31 h ALA 59 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1v31 h ALA 59 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1v31 h ALA 59 CO 0.00 0.57 -0.45 -0.07 0.00 0.00 0.00 179.25 179.30 1v31 h LEU 60 N 0.00 0.00 0.39 0.00 3.38 -1.94 -3.25 115.31 113.88 1v31 h LEU 60 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1v31 h LEU 60 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1v31 h LEU 60 CO 0.05 0.45 -0.19 1.56 0.09 0.00 0.00 178.44 180.40 1v31 h GLN 61 N 0.00 -0.50 -1.85 1.13 1.08 -1.85 0.63 115.11 113.75 1v31 h GLN 61 Ca -0.00 0.03 0.55 0.00 -1.45 0.00 0.00 58.65 57.78 1v31 h GLN 61 Cb 0.97 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 28.43 1v31 h GLN 61 CO 0.06 -0.33 1.32 1.63 -0.95 0.00 0.00 178.83 180.56 1v31 n LYS 62 N -3.66 -0.00 0.04 1.46 5.02 -1.24 0.19 118.16 119.97 1v31 n LYS 62 Ca -0.06 1.07 -0.03 0.00 -2.02 0.00 0.00 58.31 57.26 1v31 n LYS 62 Cb 0.21 -2.42 -0.01 0.00 -0.02 0.00 0.00 35.03 32.79 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.51 -3.43 116.25 113.20 1v31 h VAL 63 Ca 0.90 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1v31 h VAL 63 Cb 3.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1v31 h VAL 63 CO -0.06 0.00 -0.22 0.49 0.02 0.00 0.00 177.57 177.80 1v31 n PHE 64 N -4.16 0.40 0.00 1.57 3.72 0.18 -5.03 117.46 114.15 1v31 n PHE 64 Ca -0.02 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1v31 n PHE 64 Cb 0.07 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 1v31 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1v31 n GLY 65 N 1.69 1.79 3.14 1.37 0.00 0.50 -5.00 105.19 108.69 1v31 n GLY 65 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.44 1.05 0.28 1.61 2.02 -1.26 -5.03 118.70 116.94 1v31 s GLU 66 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1v31 s GLU 66 Cb 0.00 -1.06 0.67 0.00 0.10 0.00 0.00 34.13 33.84 1v31 s GLU 66 CO 0.00 0.27 1.73 0.93 0.02 0.00 0.00 175.26 178.21 1v31 h GLU 67 N 5.21 0.49 -4.35 1.61 5.08 -1.96 -3.43 114.58 117.23 1v31 h GLU 67 Ca -0.37 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.79 1v31 h GLU 67 Cb 1.17 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.16 1v31 h GLU 67 CO 0.45 0.33 -0.64 -1.59 -1.00 0.00 0.00 179.01 176.56 1v31 s LYS 68 N -5.91 0.85 0.09 2.33 -2.85 -1.26 0.67 119.74 113.66 1v31 s LYS 68 Ca -0.12 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.37 1v31 s LYS 68 Cb 0.24 0.24 0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1v31 s LYS 68 CO 0.78 -0.22 0.27 -1.17 0.10 0.00 0.00 175.35 175.11 1v31 s LEU 69 N -3.01 1.04 0.80 2.77 0.20 -0.97 -4.94 118.68 114.57 1v31 s LEU 69 Ca 0.19 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.42 1v31 s LEU 69 Cb 0.07 1.32 0.10 0.00 -0.43 0.00 0.00 46.19 47.25 1v31 s LEU 69 CO -0.02 -0.75 1.14 -0.54 -0.29 0.00 0.00 176.35 175.89 1v31 s LYS 70 N -3.66 1.81 0.00 1.98 1.02 -1.26 -1.29 119.74 118.34 1v31 s LYS 70 Ca 0.03 -0.15 0.22 0.00 0.02 0.00 0.00 55.97 56.09 1v31 s LYS 70 Cb 0.03 -2.02 -0.14 0.00 -0.52 0.00 0.00 37.83 35.18 1v31 s LYS 70 CO -0.10 -1.61 0.97 1.19 -0.92 0.00 0.00 175.35 174.88 1v31 n PHE 71 N -3.24 0.00 -0.05 3.18 3.72 0.41 -4.16 117.46 117.32 1v31 n PHE 71 Ca 0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1v31 n PHE 71 Cb 0.61 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 39.05 1v31 n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1v31 n THR 72 N -1.16 0.71 0.94 4.37 -2.24 -1.26 -4.43 114.28 111.20 1v31 n THR 72 Ca 0.05 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.41 1v31 n THR 72 Cb 0.36 -0.67 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1v31 n THR 72 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1v31 n MET 73 N -2.38 1.74 0.05 -0.78 0.00 -1.26 -3.51 117.12 110.98 1v31 n MET 73 Ca -0.17 -0.76 -0.06 0.00 0.00 0.00 0.00 57.70 56.71 1v31 n MET 73 Cb 0.83 -1.43 -0.11 0.00 0.00 0.00 0.00 33.22 32.50 1v31 n MET 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1v31 h VAL 74 N 1.09 1.42 0.00 3.17 2.07 -1.78 -3.22 116.25 119.00 1v31 h VAL 74 Ca 0.00 -3.12 -0.04 0.00 0.82 0.00 0.00 66.70 64.35 1v31 h VAL 74 Cb 0.58 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1v31 h VAL 74 CO 0.07 0.81 -0.21 -1.28 0.02 0.00 0.00 177.57 176.97 1v31 h SER 75 N 0.00 0.00 -0.69 0.57 0.87 -1.88 0.23 113.55 112.65 1v31 h SER 75 Ca -0.08 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.25 1v31 h SER 75 Cb 1.79 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.61 1v31 h SER 75 CO 0.11 0.21 0.29 0.00 -0.53 0.00 0.00 176.83 176.91 1v31 n GLN 76 N -3.94 3.26 0.03 2.24 10.64 -1.22 -3.51 117.38 124.88 1v31 n GLN 76 Ca -0.02 -2.70 0.00 0.00 -1.83 0.00 0.00 57.00 52.45 1v31 n GLN 76 Cb 0.30 -2.10 0.00 0.00 -0.86 0.00 0.00 30.24 27.57 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 -0.20 0.00 0.01 2.61 4.76 -0.52 -4.83 118.16 120.00 1v31 n LYS 77 Ca 0.39 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1v31 n LYS 77 Cb 1.31 -0.09 0.30 0.00 -1.84 0.00 0.00 35.03 34.72 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 1.20 -0.95 -0.18 -0.00 -0.78 -2.94 117.51 113.86 1v31 h ILE 78 Ca 0.00 -0.80 0.14 0.00 -0.00 0.00 0.00 64.86 64.20 1v31 h ILE 78 Cb 0.14 0.99 -0.15 0.00 -0.00 0.00 0.00 36.82 37.80 1v31 h ILE 78 CO 0.00 0.27 -0.40 0.77 -0.00 0.00 0.00 178.15 178.79 1v31 h SER 79 N 0.47 -1.48 -0.84 2.16 4.64 -1.74 1.25 113.55 118.01 1v31 h SER 79 Ca 0.10 0.30 0.21 0.00 -0.47 0.00 0.00 61.79 61.94 1v31 h SER 79 Cb 0.35 0.76 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 1v31 h SER 79 CO 0.01 -0.29 0.19 0.45 -0.87 0.00 0.00 176.83 176.33 1v31 h HIS 80 N -0.02 0.28 -0.37 4.77 3.86 -1.84 0.81 115.15 122.64 1v31 h HIS 80 Ca 0.32 0.05 -0.12 0.00 -1.16 0.00 0.00 60.37 59.45 1v31 h HIS 80 Cb 0.58 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1v31 h HIS 80 CO -0.86 -0.19 -0.27 0.45 0.86 0.00 0.00 177.93 177.91 1v31 h HIS 81 N 0.21 0.89 -2.27 2.45 3.86 0.12 -3.43 115.15 116.97 1v31 h HIS 81 Ca 0.51 -0.22 -0.57 0.00 -1.16 0.00 0.00 60.37 58.93 1v31 h HIS 81 Cb 0.99 -0.20 0.04 0.00 1.06 0.00 0.00 27.41 29.29 1v31 h HIS 81 CO -0.29 0.95 1.03 1.28 0.86 0.00 0.00 177.93 181.76 1v31 n LEU 82 N -4.09 3.59 -4.21 2.43 4.77 0.28 -4.46 117.00 115.32 1v31 n LEU 82 Ca -0.00 1.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.86 1v31 n LEU 82 Cb 0.46 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 1v31 n LEU 82 CO 0.45 -0.03 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.68 1v31 s SER 83 N 2.76 1.26 -0.08 -1.43 0.01 -1.02 -4.92 113.70 110.28 1v31 s SER 83 Ca 0.85 -1.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1v31 s SER 83 Cb -0.60 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1v31 s SER 83 CO 0.42 -0.48 1.24 -2.16 0.41 0.00 0.00 173.24 172.67 1v31 s PRO 84 N -3.85 4.31 0.99 12.44 0.04 -1.26 0.18 135.00 147.85 1v31 s PRO 84 Ca 0.17 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 1v31 s PRO 84 Cb 0.05 -3.62 0.18 0.00 0.04 0.00 0.00 34.50 31.16 1v31 s PRO 84 CO -0.01 -0.53 1.17 -1.25 0.04 0.00 0.00 177.00 176.43 1v31 s PRO 85 N 2.59 0.50 0.54 0.56 0.04 -1.26 -4.72 135.00 133.25 1v31 s PRO 85 Ca 0.56 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 1v31 s PRO 85 Cb -0.24 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1v31 s PRO 85 CO 0.20 -2.58 1.04 -1.25 0.04 0.00 0.00 177.00 174.45 1v31 s PRO 86 N -5.45 3.60 0.81 0.56 0.04 -1.26 -5.01 135.00 128.28 1v31 s PRO 86 Ca 0.68 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1v31 s PRO 86 Cb -0.11 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1v31 s PRO 86 CO 0.54 -0.59 0.89 -0.35 0.04 0.00 0.00 177.00 177.53 1v31 n PRO 87 N -1.49 -1.76 0.00 0.56 -0.04 -1.26 -5.07 135.00 125.94 1v31 n PRO 87 Ca 0.09 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1v31 n PRO 87 Cb 0.53 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1v31 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 n SER 88 N -4.00 0.00 -4.96 3.54 2.88 -1.26 -5.10 113.62 104.72 1v31 n SER 88 Ca 0.12 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.44 1v31 n SER 88 Cb 0.43 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.91 1v31 n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v31 s GLY 89 N 0.00 1.65 -0.07 0.46 0.00 -1.26 -5.05 107.32 103.05 1v31 s GLY 89 Ca 0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 1v31 s GLY 89 CO 0.00 -0.98 0.80 -0.56 0.00 0.00 0.00 173.10 172.36 1v31 h PRO 90 N 0.34 -0.12 -1.06 2.90 0.13 -2.03 -3.44 132.00 128.73 1v31 h PRO 90 Ca -0.45 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 1v31 h PRO 90 Cb 1.27 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.23 1v31 h PRO 90 CO 0.55 0.41 -0.47 -1.12 -0.23 0.00 0.00 178.00 177.15 1v31 s SER 91 N -5.68 -1.37 0.17 1.44 0.01 -1.26 -5.04 113.70 101.98 1v31 s SER 91 Ca -0.13 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.00 1v31 s SER 91 Cb -0.00 1.88 0.02 0.00 0.21 0.00 0.00 66.02 68.13 1v31 s SER 91 CO 0.50 -0.17 1.55 0.28 0.41 0.00 0.00 173.24 175.81 1v31 h SER 92 N 6.95 -1.79 0.00 2.44 0.02 -2.02 -3.55 113.55 115.60 1v31 h SER 92 Ca 0.05 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1v31 h SER 92 Cb 1.17 0.81 0.00 0.00 0.14 0.00 0.00 62.40 64.52 1v31 h SER 92 CO 0.10 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.11