#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwg s VAL 3 N 0.00 1.20 -0.20 3.44 -7.23 0.41 -0.75 120.40 117.26 3dwg s VAL 3 Ca 0.00 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 3dwg s VAL 3 Cb 0.00 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3dwg s VAL 3 CO 0.00 -0.70 0.03 -0.89 -0.31 0.00 0.00 175.10 173.23 3dwg s THR 4 N -3.16 4.23 -0.20 5.32 2.01 -0.88 -1.47 115.64 121.49 3dwg s THR 4 Ca 0.16 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3dwg s THR 4 Cb 0.01 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 3dwg s THR 4 CO 0.01 0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 3dwg s VAL 5 N 0.96 3.61 -0.16 3.82 1.01 -0.11 -0.76 120.40 128.78 3dwg s VAL 5 Ca 0.02 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 3dwg s VAL 5 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3dwg s VAL 5 CO 0.02 0.43 0.60 -0.55 0.00 0.00 0.00 175.10 175.60 3dwg s SER 6 N 1.17 6.71 -0.24 3.32 0.15 0.52 -1.58 113.70 123.76 3dwg s SER 6 Ca 0.02 0.86 -0.07 0.00 0.70 0.00 0.00 55.95 57.47 3dwg s SER 6 Cb -0.14 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3dwg s SER 6 CO -0.00 -0.18 0.06 -0.63 1.20 0.00 0.00 173.24 173.69 3dwg s ILE 7 N 1.45 4.27 0.78 6.45 -1.09 0.36 -2.34 121.20 131.07 3dwg s ILE 7 Ca 0.29 -0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.41 3dwg s ILE 7 Cb -0.16 -2.98 0.06 0.00 -1.58 0.00 0.00 42.46 37.80 3dwg s ILE 7 CO 0.11 0.36 1.09 -2.16 -1.23 0.00 0.00 174.94 173.11 3dwg s PRO 8 N 1.47 2.19 0.28 2.79 0.04 -1.25 -4.70 135.00 135.82 3dwg s PRO 8 Ca 0.06 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.21 3dwg s PRO 8 Cb -0.15 -1.89 0.54 0.00 0.04 0.00 0.00 34.50 33.04 3dwg s PRO 8 CO 0.03 -1.67 1.83 1.79 0.04 0.00 0.00 177.00 179.02 3dwg h THR 9 N -1.15 0.92 0.00 1.26 1.35 -1.97 -1.47 112.91 111.86 3dwg h THR 9 Ca -0.44 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3dwg h THR 9 Cb 1.24 -0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3dwg h THR 9 CO 0.52 0.18 -0.03 -0.29 -0.25 0.00 0.00 175.52 175.65 3dwg h ILE 10 N 0.98 0.46 -0.02 6.82 2.10 -2.01 -2.45 117.51 123.39 3dwg h ILE 10 Ca 0.49 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 66.29 3dwg h ILE 10 Cb 0.48 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 3dwg h ILE 10 CO -0.26 0.03 -0.12 0.18 -1.08 0.00 0.00 178.15 176.89 3dwg n LEU 11 N -3.68 2.48 0.29 2.19 4.77 -0.56 -4.53 117.00 117.95 3dwg n LEU 11 Ca -0.03 -0.93 0.18 0.00 -0.03 0.00 0.00 56.01 55.21 3dwg n LEU 11 Cb 0.12 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.02 3dwg n LEU 11 CO 0.27 0.43 1.03 0.03 -1.33 0.00 0.00 177.39 177.83 3dwg h ARG 12 N 3.52 0.00 0.00 3.23 3.08 -1.30 -1.33 114.38 121.59 3dwg h ARG 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dwg h ARG 12 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3dwg h ARG 12 CO 0.00 0.02 0.00 -1.35 -1.07 0.00 0.00 179.97 177.57 3dwg h PRO 13 N 0.00 0.00 0.00 0.04 0.11 -1.79 0.26 132.00 130.61 3dwg h PRO 13 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dwg h PRO 13 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3dwg h PRO 13 CO 0.00 0.00 -0.51 0.45 -0.21 0.00 0.00 178.00 177.73 3dwg h HIS 14 N 0.00 0.00 -0.33 0.65 3.86 -1.59 -3.36 115.15 114.39 3dwg h HIS 14 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 3dwg h HIS 14 Cb 0.08 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.47 3dwg h HIS 14 CO 0.00 0.00 -0.04 0.25 0.86 0.00 0.00 177.93 179.00 3dwg n THR 15 N -2.79 2.48 -2.30 2.45 -2.24 -0.74 -4.53 114.28 106.61 3dwg n THR 15 Ca 0.02 -2.48 -0.21 0.00 -2.27 0.00 0.00 64.05 59.12 3dwg n THR 15 Cb 0.53 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3dwg n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwg n GLY 16 N -0.97 -0.19 2.55 3.38 0.00 -1.12 -1.93 105.19 106.91 3dwg n GLY 16 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3dwg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwg n GLY 17 N -0.94 0.91 3.74 -0.02 0.00 0.82 -5.03 105.19 104.68 3dwg n GLY 17 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3dwg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwg s GLN 18 N -0.14 4.71 0.17 1.61 -0.21 -0.81 -4.94 119.66 120.05 3dwg s GLN 18 Ca 0.00 1.56 0.23 0.00 0.02 0.00 0.00 55.36 57.17 3dwg s GLN 18 Cb 0.00 -3.31 0.08 0.00 1.00 0.00 0.00 33.01 30.78 3dwg s GLN 18 CO 0.00 0.26 1.10 0.36 -2.12 0.00 0.00 175.29 174.89 3dwg n LYS 19 N 2.22 0.51 -3.72 2.91 2.85 -1.26 -4.75 118.16 116.91 3dwg n LYS 19 Ca 0.01 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.23 3dwg n LYS 19 Cb 0.47 -1.77 -0.14 0.00 -0.65 0.00 0.00 35.03 32.94 3dwg n LYS 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3dwg s SER 20 N -4.97 0.06 0.07 -5.58 0.15 -1.26 -0.49 113.70 101.68 3dwg s SER 20 Ca 0.01 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.07 3dwg s SER 20 Cb 0.11 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 3dwg s SER 20 CO 0.78 -0.18 -0.08 0.68 1.20 0.00 0.00 173.24 175.64 3dwg s VAL 21 N 1.52 0.68 0.37 4.45 -7.23 -0.61 -4.95 120.40 114.63 3dwg s VAL 21 Ca -0.06 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 3dwg s VAL 21 Cb -0.11 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.64 3dwg s VAL 21 CO -0.07 -0.57 0.77 -0.44 -0.31 0.00 0.00 175.10 174.48 3dwg s SER 22 N -2.23 6.64 0.14 4.85 0.01 -1.26 -0.93 113.70 120.93 3dwg s SER 22 Ca 0.00 1.23 -0.13 0.00 1.31 0.00 0.00 55.95 58.36 3dwg s SER 22 Cb -0.04 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.85 3dwg s SER 22 CO -0.01 -0.32 0.35 0.00 0.41 0.00 0.00 173.24 173.66 3dwg s ALA 23 N -2.21 -0.51 0.06 1.44 0.00 -0.54 -4.92 121.76 115.09 3dwg s ALA 23 Ca 0.53 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.10 3dwg s ALA 23 Cb -0.10 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3dwg s ALA 23 CO 0.25 -0.65 -0.15 -1.54 0.00 0.00 0.00 175.76 173.67 3dwg s SER 24 N -2.88 1.84 0.00 0.00 1.04 -1.26 -0.44 113.70 111.99 3dwg s SER 24 Ca 0.09 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3dwg s SER 24 Cb 0.02 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3dwg s SER 24 CO -0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.75 3dwg n GLY 25 N 1.46 3.60 0.98 7.32 0.00 -1.26 -3.99 105.19 113.31 3dwg n GLY 25 Ca -0.20 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.25 3dwg n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dwg n ASP 26 N 0.00 3.01 -4.12 1.61 5.68 -1.26 -4.68 116.55 116.79 3dwg n ASP 26 Ca 0.00 -1.95 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 3dwg n ASP 26 Cb 0.00 -0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 39.78 3dwg n ASP 26 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3dwg s THR 27 N -1.80 0.26 0.24 2.12 -4.23 -1.26 -0.94 115.64 110.03 3dwg s THR 27 Ca 0.33 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3dwg s THR 27 Cb 0.21 -1.67 0.21 0.00 1.34 0.00 0.00 72.50 72.59 3dwg s THR 27 CO 0.31 -0.85 1.75 0.25 -0.54 0.00 0.00 174.62 175.53 3dwg h LEU 28 N 3.05 0.37 -1.28 4.79 5.85 -0.96 -0.16 115.31 126.96 3dwg h LEU 28 Ca -0.34 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3dwg h LEU 28 Cb 1.16 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3dwg h LEU 28 CO 0.64 0.16 0.50 1.23 -0.34 0.00 0.00 178.44 180.63 3dwg h GLY 29 N 0.51 1.05 1.12 3.75 0.00 -1.15 0.10 103.07 108.46 3dwg h GLY 29 Ca 0.41 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 3dwg h GLY 29 CO -0.37 0.34 -0.05 0.00 0.00 0.00 0.00 176.54 176.46 3dwg h ALA 30 N 1.55 0.82 -0.54 3.60 0.00 -1.59 0.30 119.26 123.40 3dwg h ALA 30 Ca 0.29 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3dwg h ALA 30 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dwg h ALA 30 CO -0.08 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.08 3dwg h VAL 31 N 0.94 1.27 -0.66 0.00 2.07 0.08 -1.20 116.25 118.75 3dwg h VAL 31 Ca 0.16 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3dwg h VAL 31 Cb 0.61 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3dwg h VAL 31 CO 0.04 0.41 0.32 0.40 0.02 0.00 0.00 177.57 178.77 3dwg h ILE 32 N 0.85 1.21 -0.52 4.57 2.04 -0.62 0.16 117.51 125.21 3dwg h ILE 32 Ca 0.15 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3dwg h ILE 32 Cb 0.58 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3dwg h ILE 32 CO 0.03 0.25 0.11 -1.28 0.00 0.00 0.00 178.15 177.26 3dwg h SER 33 N 0.93 0.80 -0.53 1.72 0.87 -0.59 -0.66 113.55 116.09 3dwg h SER 33 Ca 0.23 -0.24 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 3dwg h SER 33 Cb 0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3dwg h SER 33 CO -0.03 0.84 -0.02 -0.78 -0.53 0.00 0.00 176.83 176.31 3dwg h ASP 34 N 0.73 0.94 -0.33 6.23 3.58 -0.87 -1.32 116.42 125.38 3dwg h ASP 34 Ca 0.16 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 3dwg h ASP 34 Cb 0.36 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3dwg h ASP 34 CO 0.01 1.03 0.20 -0.07 -2.88 0.00 0.00 179.24 177.52 3dwg h LEU 35 N 0.83 0.39 -1.04 2.28 3.38 -0.45 -1.75 115.31 118.95 3dwg h LEU 35 Ca 0.15 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3dwg h LEU 35 Cb 0.56 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3dwg h LEU 35 CO 0.03 0.32 0.64 -0.08 0.09 0.00 0.00 178.44 179.44 3dwg h GLU 36 N 0.42 1.12 -0.76 1.13 4.57 -0.91 0.34 114.58 120.49 3dwg h GLU 36 Ca 0.12 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3dwg h GLU 36 Cb -0.00 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.30 3dwg h GLU 36 CO -0.02 0.74 0.50 0.00 -1.18 0.00 0.00 179.01 179.05 3dwg h ALA 37 N 1.47 1.48 0.00 2.92 0.00 -0.39 -3.03 119.26 121.71 3dwg h ALA 37 Ca 0.42 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 3dwg h ALA 37 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dwg h ALA 37 CO -0.16 0.47 -1.61 0.09 0.00 0.00 0.00 179.25 178.04 3dwg n ASN 38 N -4.43 0.43 -3.26 0.00 3.02 -0.86 -4.74 115.26 105.42 3dwg n ASN 38 Ca 0.09 0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.56 3dwg n ASN 38 Cb 0.05 1.09 -0.08 0.00 -0.61 0.00 0.00 39.78 40.23 3dwg n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dwg n TYR 39 N -2.55 -0.34 -1.55 3.10 4.02 0.11 -5.05 117.16 114.90 3dwg n TYR 39 Ca -0.06 -3.52 -0.51 0.00 -0.01 0.00 0.00 57.90 53.80 3dwg n TYR 39 Cb 0.66 -0.21 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 3dwg n TYR 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dwg n SER 40 N 1.75 0.99 0.00 7.72 2.88 -1.19 -1.98 113.62 123.79 3dwg n SER 40 Ca 0.24 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 3dwg n SER 40 Cb 0.51 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 3dwg n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwg n GLY 41 N 2.02 0.84 0.23 0.46 0.00 -1.26 -4.92 105.19 102.57 3dwg n GLY 41 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 3dwg n GLY 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwg h ILE 42 N 0.00 1.29 -0.73 -0.61 2.10 -1.74 -3.23 117.51 114.58 3dwg h ILE 42 Ca 0.00 -1.74 -0.04 0.00 1.08 0.00 0.00 64.86 64.16 3dwg h ILE 42 Cb 0.00 1.72 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 3dwg h ILE 42 CO 0.00 0.56 0.28 0.77 -1.08 0.00 0.00 178.15 178.68 3dwg h SER 43 N 0.57 1.01 -0.27 2.19 4.64 -1.86 -1.65 113.55 118.18 3dwg h SER 43 Ca 0.00 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3dwg h SER 43 Cb 1.16 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3dwg h SER 43 CO 0.12 0.90 0.19 -0.33 -0.87 0.00 0.00 176.83 176.84 3dwg h GLU 44 N 1.07 0.16 0.00 4.77 3.07 -1.93 -0.83 114.58 120.89 3dwg h GLU 44 Ca 0.24 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 3dwg h GLU 44 Cb 0.22 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3dwg h GLU 44 CO -0.02 0.11 -0.20 0.00 -1.40 0.00 0.00 179.01 177.50 3dwg h ARG 45 N 0.17 0.00 0.00 2.33 2.47 -1.34 -3.17 114.38 114.84 3dwg h ARG 45 Ca 0.12 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.74 3dwg h ARG 45 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 3dwg h ARG 45 CO -0.02 0.20 -0.96 -0.07 0.56 0.00 0.00 179.97 179.68 3dwg h LEU 46 N 0.00 0.00-10.03 3.04 3.38 -1.08 -3.46 115.31 107.16 3dwg h LEU 46 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3dwg h LEU 46 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3dwg h LEU 46 CO 0.03 0.36 -0.47 -0.04 0.09 0.00 0.00 178.44 178.41 3dwg s MET 47 N -3.07 3.39 -0.25 1.13 -1.94 -0.97 -0.32 119.30 117.28 3dwg s MET 47 Ca 0.00 -0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 53.06 3dwg s MET 47 Cb 0.08 -2.93 -0.00 0.00 2.01 0.00 0.00 34.83 33.99 3dwg s MET 47 CO 0.78 0.51 1.26 0.34 -0.01 0.00 0.00 175.02 177.90 3dwg s ASP 48 N -3.26 6.81 0.59 3.03 -1.08 0.09 -4.21 116.67 118.65 3dwg s ASP 48 Ca 0.34 1.39 0.35 0.00 -0.52 0.00 0.00 52.55 54.11 3dwg s ASP 48 Cb -0.11 -2.54 1.84 0.00 -1.46 0.00 0.00 42.92 40.66 3dwg s ASP 48 CO 0.28 -0.93 2.20 1.55 0.52 0.00 0.00 175.17 178.79 3dwg h PRO 49 N 8.72 0.00 0.00 4.34 0.13 -1.90 -2.61 132.00 140.68 3dwg h PRO 49 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dwg h PRO 49 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dwg h PRO 49 CO 1.01 0.04 -1.91 -1.13 -0.23 0.00 0.00 178.00 175.77 3dwg n SER 50 N -3.42 0.35 -3.64 1.44 3.41 -1.26 -4.62 113.62 105.87 3dwg n SER 50 Ca -0.02 -0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 3dwg n SER 50 Cb 0.16 1.92 -0.10 0.00 -0.26 0.00 0.00 64.21 65.92 3dwg n SER 50 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dwg n SER 51 N -2.19 2.16 -4.68 4.04 7.64 -0.99 -5.11 113.62 114.49 3dwg n SER 51 Ca -0.04 -3.03 -0.39 0.00 1.01 0.00 0.00 58.87 56.42 3dwg n SER 51 Cb 0.53 -0.69 0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3dwg n SER 51 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3dwg n PRO 52 N 1.90 1.51 -0.07 1.43 -0.02 -1.18 -2.10 135.00 136.47 3dwg n PRO 52 Ca 0.24 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3dwg n PRO 52 Cb 0.40 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3dwg n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwg n GLY 53 N 0.97 1.16 3.50 -1.23 0.00 -1.26 -5.03 105.19 103.29 3dwg n GLY 53 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3dwg n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwg s LYS 54 N -0.58 1.83 0.62 1.61 -2.85 -0.89 -4.95 119.74 114.52 3dwg s LYS 54 Ca 0.00 -1.21 -0.18 0.00 -1.00 0.00 0.00 55.97 53.58 3dwg s LYS 54 Cb 0.00 -2.11 -0.02 0.00 -2.06 0.00 0.00 37.83 33.63 3dwg s LYS 54 CO 0.00 0.47 1.23 -0.51 0.10 0.00 0.00 175.35 176.64 3dwg s LEU 55 N -2.29 3.62 0.35 2.77 1.43 -1.26 -0.73 118.68 122.57 3dwg s LEU 55 Ca 0.19 2.46 -0.29 0.00 -1.03 0.00 0.00 54.13 55.47 3dwg s LEU 55 Cb -0.10 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.40 3dwg s LEU 55 CO 0.11 -1.75 1.50 1.57 0.23 0.00 0.00 176.35 178.01 3dwg n HIS 56 N -1.74 2.88 -0.16 0.29 -0.00 0.56 -4.06 115.22 113.01 3dwg n HIS 56 Ca 0.14 0.40 0.24 0.00 -0.00 0.00 0.00 57.72 58.50 3dwg n HIS 56 Cb 0.49 -2.54 0.65 0.00 -0.00 0.00 0.00 29.99 28.59 3dwg n HIS 56 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3dwg h ARG 57 N 3.49 0.12 -0.47 1.57 -0.00 -1.92 -1.69 114.38 115.48 3dwg h ARG 57 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 3dwg h ARG 57 Cb 1.24 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 3dwg h ARG 57 CO 0.69 0.08 0.00 1.19 -0.00 0.00 0.00 179.97 181.93 3dwg n PHE 58 N -4.37 1.40 -4.75 4.08 3.72 -1.26 -4.89 117.46 111.39 3dwg n PHE 58 Ca 0.17 -0.73 -0.33 0.00 -0.05 0.00 0.00 57.45 56.51 3dwg n PHE 58 Cb 0.80 -0.33 -0.13 0.00 -0.94 0.00 0.00 39.48 38.87 3dwg n PHE 58 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dwg s VAL 59 N -2.40 3.27 -0.07 -4.37 1.01 -0.64 -0.76 120.40 116.44 3dwg s VAL 59 Ca 0.47 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3dwg s VAL 59 Cb 0.34 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3dwg s VAL 59 CO 0.16 0.56 -0.20 0.20 0.00 0.00 0.00 175.10 175.81 3dwg s ASN 60 N -0.27 3.46 -0.02 3.32 0.01 0.41 -4.74 114.94 117.11 3dwg s ASN 60 Ca 0.02 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 3dwg s ASN 60 Cb -0.13 -1.05 -0.01 0.00 0.41 0.00 0.00 41.25 40.48 3dwg s ASN 60 CO 0.03 0.24 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.08 3dwg s ILE 61 N -0.13 1.17 -0.03 0.60 1.01 -1.26 -0.95 121.20 121.62 3dwg s ILE 61 Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3dwg s ILE 61 Cb -0.14 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3dwg s ILE 61 CO 0.04 0.34 -0.16 -0.31 0.00 0.00 0.00 174.94 174.85 3dwg s TYR 62 N -0.15 1.52 -0.20 3.97 1.51 -0.40 -1.25 117.35 122.35 3dwg s TYR 62 Ca 0.02 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3dwg s TYR 62 Cb -0.08 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.75 3dwg s TYR 62 CO 0.00 -0.10 -0.06 0.08 -1.11 0.00 0.00 175.55 174.37 3dwg s VAL 63 N -0.12 3.38 -1.65 0.71 1.01 -0.45 -0.83 120.40 122.45 3dwg s VAL 63 Ca 0.01 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3dwg s VAL 63 Cb -0.09 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.88 3dwg s VAL 63 CO 0.01 0.45 0.44 0.59 0.00 0.00 0.00 175.10 176.58 3dwg n ASN 64 N 4.44 -1.11 0.00 3.32 3.02 0.09 -1.16 115.26 123.87 3dwg n ASN 64 Ca -0.18 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3dwg n ASN 64 Cb 0.51 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 3dwg n ASN 64 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dwg n ASP 65 N -2.74 -1.16 -4.53 6.41 8.00 -1.26 -5.00 116.55 116.26 3dwg n ASP 65 Ca -0.11 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.04 3dwg n ASP 65 Cb 0.58 -0.51 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 3dwg n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dwg s GLU 66 N -0.17 3.78 -0.03 -1.24 2.02 -0.31 -4.98 118.70 117.77 3dwg s GLU 66 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 3dwg s GLU 66 Cb 0.00 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 3dwg s GLU 66 CO 0.00 0.07 1.94 0.34 0.02 0.00 0.00 175.26 177.62 3dwg s ASP 67 N 0.91 6.32 0.65 -0.19 -1.08 -1.26 -1.35 116.67 120.68 3dwg s ASP 67 Ca 0.03 2.41 0.39 0.00 -0.52 0.00 0.00 52.55 54.87 3dwg s ASP 67 Cb -0.14 -2.53 2.18 0.00 -1.46 0.00 0.00 42.92 40.98 3dwg s ASP 67 CO 0.02 -1.19 2.28 -0.37 0.52 0.00 0.00 175.17 176.43 3dwg h VAL 68 N 5.90 0.12 0.00 1.11 -1.51 -1.53 -2.39 116.25 117.95 3dwg h VAL 68 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3dwg h VAL 68 Cb 1.22 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3dwg h VAL 68 CO 0.95 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 177.32 3dwg h ARG 69 N 0.00 0.00 -0.21 5.19 3.08 -1.89 0.21 114.38 120.76 3dwg h ARG 69 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dwg h ARG 69 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3dwg h ARG 69 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3dwg n PHE 70 N -2.30 0.27 -1.26 3.04 3.01 -0.90 -4.59 117.46 114.73 3dwg n PHE 70 Ca -0.01 -0.40 0.02 0.00 1.01 0.00 0.00 57.45 58.06 3dwg n PHE 70 Cb 0.06 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.53 3dwg n PHE 70 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3dwg n SER 71 N 0.28 0.68 0.00 4.37 3.41 -0.79 -4.98 113.62 116.60 3dwg n SER 71 Ca 0.08 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3dwg n SER 71 Cb 0.34 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3dwg n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwg n GLY 72 N -0.32 1.11 7.00 5.00 0.00 -1.17 -4.18 105.19 112.63 3dwg n GLY 72 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3dwg n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwg n GLY 73 N -0.74 2.63 0.30 -0.02 0.00 0.68 -1.66 105.19 106.38 3dwg n GLY 73 Ca 0.00 -0.31 0.19 0.00 0.00 0.00 0.00 46.02 45.90 3dwg n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwg h LEU 74 N 0.00 0.00 -0.04 0.99 -0.00 -1.92 -1.13 115.31 113.20 3dwg h LEU 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3dwg h LEU 74 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3dwg h LEU 74 CO 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3dwg n ALA 75 N -2.07 2.67 -1.69 1.53 0.00 -0.66 -0.59 120.51 119.70 3dwg n ALA 75 Ca -0.01 -0.21 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 3dwg n ALA 75 Cb 0.20 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 3dwg n ALA 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dwg n THR 76 N -0.97 0.12 -2.22 0.00 -1.04 -0.43 -4.75 114.28 104.98 3dwg n THR 76 Ca 0.23 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.83 3dwg n THR 76 Cb 0.13 -1.81 -0.01 0.00 -1.82 0.00 0.00 70.33 66.82 3dwg n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwg s ALA 77 N 1.58 3.16 -0.03 2.41 0.00 -1.26 -1.19 121.76 126.44 3dwg s ALA 77 Ca 0.79 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.82 3dwg s ALA 77 Cb -0.59 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.12 3dwg s ALA 77 CO 0.37 -0.62 -0.12 0.42 0.00 0.00 0.00 175.76 175.81 3dwg s ILE 78 N -1.38 0.98 0.26 0.00 1.01 -0.12 -4.84 121.20 117.11 3dwg s ILE 78 Ca 0.58 -0.48 0.11 0.00 0.00 0.00 0.00 60.65 60.86 3dwg s ILE 78 Cb -0.32 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 3dwg s ILE 78 CO 0.41 0.29 -0.18 0.00 0.00 0.00 0.00 174.94 175.46 3dwg s ALA 79 N 0.06 2.77 0.23 9.38 0.00 -1.26 -4.49 121.76 128.44 3dwg s ALA 79 Ca -0.02 -1.78 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 3dwg s ALA 79 Cb -0.09 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.52 3dwg s ALA 79 CO 0.01 0.32 1.12 -3.47 0.00 0.00 0.00 175.76 173.74 3dwg n ASP 80 N -0.44 1.47 0.00 0.00 2.03 -1.26 -1.79 116.55 116.56 3dwg n ASP 80 Ca -0.07 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.40 3dwg n ASP 80 Cb 0.59 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 3dwg n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dwg n GLY 81 N 1.71 1.61 3.77 0.27 0.00 0.07 -4.94 105.19 107.68 3dwg n GLY 81 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3dwg n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwg s ASP 82 N -3.24 4.82 -0.08 1.61 1.01 -0.74 -4.84 116.67 115.22 3dwg s ASP 82 Ca 0.00 1.93 -0.02 0.00 0.71 0.00 0.00 52.55 55.17 3dwg s ASP 82 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3dwg s ASP 82 CO 0.00 -1.82 0.01 -0.94 0.21 0.00 0.00 175.17 172.63 3dwg s SER 83 N -2.93 5.32 -0.11 0.27 1.04 -1.26 -2.07 113.70 113.96 3dwg s SER 83 Ca 0.65 0.16 0.03 0.00 0.48 0.00 0.00 55.95 57.27 3dwg s SER 83 Cb -0.19 -1.51 0.01 0.00 0.10 0.00 0.00 66.02 64.42 3dwg s SER 83 CO 0.48 0.37 -0.22 -0.69 0.98 0.00 0.00 173.24 174.17 3dwg s VAL 84 N -0.91 1.93 -0.14 5.02 1.01 0.06 -0.73 120.40 126.64 3dwg s VAL 84 Ca 0.14 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3dwg s VAL 84 Cb -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3dwg s VAL 84 CO 0.03 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.57 3dwg s THR 85 N 0.55 2.34 -0.15 3.92 2.01 -0.01 -0.36 115.64 123.94 3dwg s THR 85 Ca -0.14 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 3dwg s THR 85 Cb -0.17 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 3dwg s THR 85 CO 0.05 0.54 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 3dwg s ILE 86 N 0.69 3.36 -0.02 1.82 1.01 -0.99 -1.28 121.20 125.79 3dwg s ILE 86 Ca -0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3dwg s ILE 86 Cb -0.16 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3dwg s ILE 86 CO 0.01 0.50 0.06 -0.76 0.00 0.00 0.00 174.94 174.75 3dwg s LEU 87 N 0.55 1.79 0.67 2.97 1.43 -0.12 -3.83 118.68 122.13 3dwg s LEU 87 Ca -0.06 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 3dwg s LEU 87 Cb -0.15 0.23 -0.00 0.00 0.03 0.00 0.00 46.19 46.30 3dwg s LEU 87 CO 0.03 -0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.46 3dwg s PRO 88 N -0.19 2.90 -0.39 1.29 0.04 -1.26 -0.44 135.00 136.94 3dwg s PRO 88 Ca -0.02 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 3dwg s PRO 88 Cb -0.02 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3dwg s PRO 88 CO 0.00 -1.15 1.55 0.00 0.04 0.00 0.00 177.00 177.44 3dwg s ALA 89 N -2.62 2.96 -0.15 8.56 0.00 0.06 -4.79 121.76 125.78 3dwg s ALA 89 Ca 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3dwg s ALA 89 Cb -0.17 -3.98 0.03 0.00 0.00 0.00 0.00 23.12 19.00 3dwg s ALA 89 CO 0.45 -2.52 -0.11 0.08 0.00 0.00 0.00 175.76 173.66 3dwg s VAL 90 N 6.00 1.42 0.11 0.00 1.01 -1.26 -5.05 120.40 122.62 3dwg s VAL 90 Ca 0.67 -0.62 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 3dwg s VAL 90 Cb -0.16 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.68 3dwg s VAL 90 CO 0.33 0.36 1.66 0.00 0.00 0.00 0.00 175.10 177.45 3dwg n ALA 91 N 4.81 1.32 0.00 5.51 0.00 -1.26 -0.84 120.51 130.04 3dwg n ALA 91 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3dwg n ALA 91 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3dwg n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwg n GLY 92 N 3.67 2.95 0.22 0.00 0.00 -1.26 -5.31 105.19 105.46 3dwg n GLY 92 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 3dwg n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93