#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 1.38 0.07 1.97 -2.85 -1.26 -0.39 119.74 118.66 1ab7 s LYS 2 Ca 0.00 -1.02 -0.14 0.00 -1.00 0.00 0.00 55.97 53.81 1ab7 s LYS 2 Cb 0.00 -2.51 -0.06 0.00 -2.06 0.00 0.00 37.83 33.20 1ab7 s LYS 2 CO 0.00 -0.69 0.47 0.00 0.10 0.00 0.00 175.35 175.23 1ab7 s ALA 3 N 1.43 3.66 -0.07 0.59 0.00 0.22 -4.85 121.76 122.74 1ab7 s ALA 3 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1ab7 s ALA 3 Cb -0.18 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1ab7 s ALA 3 CO -0.09 0.49 -0.05 0.08 0.00 0.00 0.00 175.76 176.19 1ab7 s VAL 4 N -1.27 0.67 -0.24 0.00 1.01 -1.26 -0.10 120.40 119.21 1ab7 s VAL 4 Ca 0.31 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1ab7 s VAL 4 Cb -0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ab7 s VAL 4 CO 0.17 0.28 0.37 -0.63 0.00 0.00 0.00 175.10 175.30 1ab7 s ILE 5 N 1.39 5.19 -0.39 2.22 -1.09 -0.31 -4.89 121.20 123.32 1ab7 s ILE 5 Ca -0.03 0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1ab7 s ILE 5 Cb -0.13 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1ab7 s ILE 5 CO -0.03 0.20 0.16 0.20 -1.23 0.00 0.00 174.94 174.24 1ab7 s ASN 6 N 1.38 5.13 0.02 3.58 -0.87 -1.26 0.53 114.94 123.45 1ab7 s ASN 6 Ca 0.16 -2.02 0.16 0.00 -1.57 0.00 0.00 52.86 49.60 1ab7 s ASN 6 Cb -0.15 -1.78 0.70 0.00 -0.02 0.00 0.00 41.25 40.00 1ab7 s ASN 6 CO 0.09 -0.49 1.52 0.61 -2.57 0.00 0.00 177.10 176.26 1ab7 n GLY 7 N 4.52 -1.07 0.07 0.66 0.00 -1.25 -1.36 105.19 106.76 1ab7 n GLY 7 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ab7 n GLU 8 N -1.56 0.17 -0.00 1.61 4.07 -1.26 -3.69 120.64 119.98 1ab7 n GLU 8 Ca 0.04 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1ab7 n GLU 8 Cb 0.19 -1.70 -0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1ab7 n GLN 9 N -1.99 0.39 -2.19 5.31 7.27 -0.74 -4.93 117.38 120.49 1ab7 n GLN 9 Ca 0.06 -0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.73 1ab7 n GLN 9 Cb 0.40 -1.01 -0.03 0.00 2.41 0.00 0.00 30.24 32.00 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ab7 s ILE 10 N -2.04 3.46 0.14 1.69 -1.09 -0.46 -4.81 121.20 118.09 1ab7 s ILE 10 Ca -0.00 0.26 -0.14 0.00 -2.23 0.00 0.00 60.65 58.54 1ab7 s ILE 10 Cb 0.00 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1ab7 s ILE 10 CO 0.02 -1.19 1.66 0.03 -1.23 0.00 0.00 174.94 174.23 1ab7 h ARG 11 N 13.48 0.72 -3.82 2.79 3.08 -1.91 -3.46 114.38 125.26 1ab7 h ARG 11 Ca -0.27 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.53 1ab7 h ARG 11 Cb 1.13 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.97 1ab7 h ARG 11 CO 1.24 0.70 -0.22 0.45 -1.07 0.00 0.00 179.97 181.07 1ab7 s SER 12 N -6.04 -0.04 0.61 7.04 0.15 -1.26 -4.99 113.70 109.16 1ab7 s SER 12 Ca -0.13 -0.99 0.26 0.00 0.70 0.00 0.00 55.95 55.79 1ab7 s SER 12 Cb 0.11 0.54 1.18 0.00 -1.71 0.00 0.00 66.02 66.14 1ab7 s SER 12 CO 0.78 -1.07 1.60 -0.29 1.20 0.00 0.00 173.24 175.46 1ab7 h ILE 13 N 2.34 0.16 -0.08 6.45 6.09 -1.89 0.14 117.51 130.72 1ab7 h ILE 13 Ca -0.28 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.23 1ab7 h ILE 13 Cb 1.25 0.33 -0.03 0.00 0.47 0.00 0.00 36.82 38.85 1ab7 h ILE 13 CO 0.39 0.00 -0.06 -1.28 -3.07 0.00 0.00 178.15 174.13 1ab7 h SER 14 N 0.00 -0.20 0.78 2.19 0.87 -1.97 0.03 113.55 115.25 1ab7 h SER 14 Ca 0.30 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1ab7 h SER 14 Cb 1.91 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 1ab7 h SER 14 CO -0.00 -0.09 0.00 0.44 -0.53 0.00 0.00 176.83 176.65 1ab7 h ASP 15 N -0.07 0.00 0.62 6.23 3.32 -1.10 -2.99 116.42 122.43 1ab7 h ASP 15 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ab7 h ASP 15 Cb 0.15 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1ab7 h ASP 15 CO -0.13 0.00 -0.30 0.25 -1.72 0.00 0.00 179.24 177.34 1ab7 h LEU 16 N 0.00 -0.71 -2.33 1.55 5.85 -0.87 -0.12 115.31 118.68 1ab7 h LEU 16 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ab7 h LEU 16 Cb 0.39 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ab7 h LEU 16 CO 0.00 -0.33 0.22 0.45 -0.34 0.00 0.00 178.44 178.45 1ab7 h HIS 17 N -1.20 0.00 0.13 1.25 3.86 -1.32 0.31 115.15 118.18 1ab7 h HIS 17 Ca -0.09 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.84 1ab7 h HIS 17 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1ab7 h HIS 17 CO 0.00 0.00 -1.32 1.96 0.86 0.00 0.00 177.93 179.43 1ab7 h GLN 18 N 0.00 0.26 -0.20 2.45 4.20 -1.33 0.32 115.11 120.81 1ab7 h GLN 18 Ca 0.01 -0.45 -0.15 0.00 0.06 0.00 0.00 58.65 58.12 1ab7 h GLN 18 Cb 0.46 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1ab7 h GLN 18 CO -0.00 1.19 -0.50 1.15 -0.67 0.00 0.00 178.83 179.99 1ab7 h THR 19 N 0.07 1.31 0.16 -0.54 2.02 0.15 0.39 112.91 116.48 1ab7 h THR 19 Ca -0.16 -1.73 -0.29 0.00 0.77 0.00 0.00 66.41 65.00 1ab7 h THR 19 Cb 1.99 1.70 0.01 0.00 -1.74 0.00 0.00 68.15 70.11 1ab7 h THR 19 CO 0.19 0.54 -1.32 -0.07 0.37 0.00 0.00 175.52 175.23 1ab7 h LEU 20 N 0.44 0.54 -1.53 2.58 3.38 -1.33 -1.39 115.31 118.00 1ab7 h LEU 20 Ca 0.02 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1ab7 h LEU 20 Cb 1.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ab7 h LEU 20 CO 0.10 1.45 -0.08 0.50 0.09 0.00 0.00 178.44 180.50 1ab7 h LYS 21 N 0.09 0.00 0.14 1.13 3.64 -0.76 0.11 116.57 120.92 1ab7 h LYS 21 Ca -0.17 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.89 1ab7 h LYS 21 Cb 2.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1ab7 h LYS 21 CO 0.22 0.08 -1.63 -0.22 -2.27 0.00 0.00 179.45 175.64 1ab7 h LYS 22 N 0.00 0.30 0.15 1.90 3.64 -0.08 -2.04 116.57 120.44 1ab7 h LYS 22 Ca -0.00 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1ab7 h LYS 22 Cb 0.52 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1ab7 h LYS 22 CO 0.01 1.24 -0.07 0.93 -2.27 0.00 0.00 179.45 179.29 1ab7 h GLU 23 N -0.11 -0.19 0.00 1.90 4.39 -1.09 -3.26 114.58 116.22 1ab7 h GLU 23 Ca -0.34 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1ab7 h GLU 23 Cb 1.92 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1ab7 h GLU 23 CO 0.10 -0.05 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.77 1ab7 h LEU 24 N -1.04 0.00 -1.91 1.33 3.38 -1.01 -3.47 115.31 112.60 1ab7 h LEU 24 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1ab7 h LEU 24 Cb 0.23 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.08 1ab7 h LEU 24 CO 0.03 0.06 -0.46 0.00 0.09 0.00 0.00 178.44 178.16 1ab7 n ALA 25 N -2.17 -1.25 -1.30 1.53 0.00 -0.86 -4.79 120.51 111.67 1ab7 n ALA 25 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1ab7 n ALA 25 Cb 0.23 -1.89 0.13 0.00 0.00 0.00 0.00 19.45 17.92 1ab7 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab7 s LEU 26 N -4.54 2.23 0.00 0.00 1.43 -0.82 -5.00 118.68 111.98 1ab7 s LEU 26 Ca 0.03 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1ab7 s LEU 26 Cb -0.00 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1ab7 s LEU 26 CO 0.43 -2.55 0.23 -0.81 0.23 0.00 0.00 176.35 173.89 1ab7 n PRO 27 N -3.81 -0.74 0.12 1.29 -0.04 -1.26 -4.94 135.00 125.62 1ab7 n PRO 27 Ca 0.07 -0.37 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 1ab7 n PRO 27 Cb 0.56 -0.28 -0.16 0.00 -0.04 0.00 0.00 33.50 33.58 1ab7 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ab7 h GLU 28 N 0.00 0.47 0.00 0.54 4.81 -2.01 -3.22 114.58 115.18 1ab7 h GLU 28 Ca -0.08 -0.81 0.00 0.00 -0.13 0.00 0.00 59.36 58.34 1ab7 h GLU 28 Cb 0.23 0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1ab7 h GLU 28 CO 0.06 1.39 0.00 2.48 -0.73 0.00 0.00 179.01 182.20 1ab7 n TYR 29 N -3.82 0.00 -1.06 0.92 0.18 -1.26 -4.85 117.16 107.26 1ab7 n TYR 29 Ca -0.17 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.15 1ab7 n TYR 29 Cb 1.03 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.91 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ab7 n TYR 30 N -0.95 1.03 0.07 -3.48 9.36 -1.22 -4.67 117.16 117.30 1ab7 n TYR 30 Ca 0.15 0.68 0.05 0.00 3.32 0.00 0.00 57.90 62.09 1ab7 n TYR 30 Cb 0.07 -1.66 0.26 0.00 -0.63 0.00 0.00 39.34 37.38 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ab7 n GLY 31 N 4.45 -0.65 3.61 2.98 0.00 -1.26 -4.83 105.19 109.49 1ab7 n GLY 31 Ca 0.33 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 1ab7 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ab7 n GLU 32 N -1.83 -3.09 -0.50 1.61 4.71 -1.26 -4.90 120.64 115.38 1ab7 n GLU 32 Ca -0.01 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1ab7 n GLU 32 Cb 0.03 -4.94 0.00 0.00 -1.01 0.00 0.00 31.44 25.52 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ab7 n ASN 33 N -2.96 0.00 0.11 1.62 0.23 -1.26 -5.01 115.26 107.99 1ab7 n ASN 33 Ca -0.18 -0.48 -0.02 0.00 -0.53 0.00 0.00 54.58 53.37 1ab7 n ASN 33 Cb 0.64 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.30 1ab7 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1ab7 h LEU 34 N 0.00 0.00 0.02 -4.53 4.07 -1.92 -2.07 115.31 110.88 1ab7 h LEU 34 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ab7 h LEU 34 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ab7 h LEU 34 CO 0.00 0.71 -0.01 -2.24 -1.08 0.00 0.00 178.44 175.82 1ab7 h ASP 35 N 0.00 -0.02 -0.04 -0.43 3.04 -1.96 -0.10 116.42 116.91 1ab7 h ASP 35 Ca -0.01 -0.65 -0.21 0.00 -3.24 0.00 0.00 57.03 52.93 1ab7 h ASP 35 Cb 1.55 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.85 1ab7 h ASP 35 CO 0.09 0.65 -0.74 0.00 -2.04 0.00 0.00 179.24 177.21 1ab7 h ALA 36 N 0.21 0.42 0.27 4.15 0.00 -1.91 0.13 119.26 122.53 1ab7 h ALA 36 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ab7 h ALA 36 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ab7 h ALA 36 CO 0.00 0.71 -0.13 1.25 0.00 0.00 0.00 179.25 181.08 1ab7 h LEU 37 N 0.47 -0.30 -1.11 0.00 5.85 -1.47 0.19 115.31 118.94 1ab7 h LEU 37 Ca -0.04 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1ab7 h LEU 37 Cb 1.35 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1ab7 h LEU 37 CO 0.15 0.04 0.61 -0.25 -0.34 0.00 0.00 178.44 178.64 1ab7 h TRP 38 N -0.67 1.05 -0.03 1.25 -0.00 -1.05 0.64 115.95 117.15 1ab7 h TRP 38 Ca -0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.83 1ab7 h TRP 38 Cb 0.47 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 1ab7 h TRP 38 CO 0.02 0.47 -0.22 -0.44 -0.00 0.00 0.00 178.44 178.28 1ab7 h ASP 39 N 0.97 0.04 0.00 2.65 5.19 -0.58 -1.09 116.42 123.60 1ab7 h ASP 39 Ca 0.44 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1ab7 h ASP 39 Cb 0.40 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1ab7 h ASP 39 CO -0.20 0.27 -0.01 0.00 -3.12 0.00 0.00 179.24 176.18 1ab7 h ALA 40 N 1.74 0.00 -0.99 3.45 0.00 0.33 -0.09 119.26 123.69 1ab7 h ALA 40 Ca 0.01 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.14 1ab7 h ALA 40 Cb 0.41 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.02 1ab7 h ALA 40 CO 0.03 0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.19 1ab7 h LEU 41 N -0.14 -0.57 -0.26 0.00 3.38 -0.39 2.30 115.31 119.62 1ab7 h LEU 41 Ca 0.00 0.29 -0.20 0.00 0.09 0.00 0.00 57.88 58.06 1ab7 h LEU 41 Cb 0.01 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ab7 h LEU 41 CO 0.00 -0.35 -0.89 0.71 0.09 0.00 0.00 178.44 178.00 1ab7 h THR 42 N 0.00 1.52 -1.82 0.22 1.35 -1.34 -3.36 112.91 109.49 1ab7 h THR 42 Ca 0.58 -2.72 -0.46 0.00 -0.55 0.00 0.00 66.41 63.26 1ab7 h THR 42 Cb 1.14 2.52 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 1ab7 h THR 42 CO -0.95 0.79 -1.19 0.61 -0.25 0.00 0.00 175.52 174.53 1ab7 n GLY 43 N 0.92 3.25 0.35 5.82 0.00 0.31 -4.89 105.19 110.95 1ab7 n GLY 43 Ca -0.03 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1ab7 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ab7 n TRP 44 N 0.21 -0.44 -1.23 1.61 -0.00 0.70 -4.56 117.44 113.72 1ab7 n TRP 44 Ca 0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.43 1ab7 n TRP 44 Cb 0.69 0.09 0.16 0.00 -0.00 0.00 0.00 31.31 32.25 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.68 2.22 -0.29 5.87 1.01 -0.68 -4.94 120.40 121.91 1ab7 s VAL 45 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ab7 s VAL 45 Cb 0.00 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.86 1ab7 s VAL 45 CO 0.00 -0.09 0.03 -1.61 0.00 0.00 0.00 175.10 173.42 1ab7 s GLU 46 N -5.00 1.27 0.68 2.72 2.02 -1.26 -4.95 118.70 114.17 1ab7 s GLU 46 Ca 0.65 -1.25 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 1ab7 s GLU 46 Cb -0.18 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.48 1ab7 s GLU 46 CO 0.57 -0.82 1.07 0.71 0.02 0.00 0.00 175.26 176.81 1ab7 s TYR 47 N 1.34 3.42 0.35 1.61 2.02 -1.26 -2.60 117.35 122.22 1ab7 s TYR 47 Ca 0.04 1.15 -0.27 0.00 -0.37 0.00 0.00 57.07 57.61 1ab7 s TYR 47 Cb -0.18 -2.94 -0.09 0.00 -0.40 0.00 0.00 41.96 38.35 1ab7 s TYR 47 CO -0.13 -1.02 1.22 -1.25 -1.57 0.00 0.00 175.55 172.81 1ab7 s PRO 48 N -5.28 4.28 0.26 -1.71 0.04 -1.26 -4.81 135.00 126.52 1ab7 s PRO 48 Ca 0.57 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.72 1ab7 s PRO 48 Cb -0.11 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1ab7 s PRO 48 CO 0.53 -0.18 -0.07 -1.17 0.04 0.00 0.00 177.00 176.15 1ab7 s LEU 49 N -2.01 2.99 -0.36 -3.56 2.96 -0.20 -0.85 118.68 117.65 1ab7 s LEU 49 Ca 0.51 -0.75 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ab7 s LEU 49 Cb -0.35 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 44.92 1ab7 s LEU 49 CO 0.45 0.02 0.12 -0.69 -1.32 0.00 0.00 176.35 174.93 1ab7 s VAL 50 N -2.31 1.71 -1.48 1.68 1.01 0.48 0.29 120.40 121.77 1ab7 s VAL 50 Ca 0.30 -2.16 -0.09 0.00 0.00 0.00 0.00 61.98 60.03 1ab7 s VAL 50 Cb -0.06 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1ab7 s VAL 50 CO 0.18 -0.69 2.58 -0.11 0.00 0.00 0.00 175.10 177.06 1ab7 n LEU 51 N 4.23 8.08 -4.57 3.92 7.94 0.13 0.71 117.00 137.44 1ab7 n LEU 51 Ca 0.03 -4.51 -0.17 0.00 -1.11 0.00 0.00 56.01 50.25 1ab7 n LEU 51 Cb 0.40 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.20 1.86 1.22 -0.70 -1.11 0.00 0.00 177.39 178.86 1ab7 s GLU 52 N 1.22 1.68 -1.02 1.96 2.12 0.85 -1.56 118.70 123.96 1ab7 s GLU 52 Ca 0.59 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.66 1ab7 s GLU 52 Cb 0.17 -4.92 0.03 0.00 0.26 0.00 0.00 34.13 29.67 1ab7 s GLU 52 CO -0.07 -4.58 1.55 -0.46 -0.54 0.00 0.00 175.26 171.16 1ab7 s TRP 53 N 14.49 2.43 0.17 5.30 -0.11 -0.52 -1.16 118.94 139.54 1ab7 s TRP 53 Ca 0.84 -0.64 -0.33 0.00 1.22 0.00 0.00 56.10 57.19 1ab7 s TRP 53 Cb -0.09 -4.59 -0.14 0.00 -1.50 0.00 0.00 33.47 27.15 1ab7 s TRP 53 CO 0.10 -1.89 1.55 0.54 -4.62 0.00 0.00 176.95 172.63 1ab7 n ARG 54 N 8.85 2.14 0.00 5.86 5.12 0.19 -3.45 116.66 135.37 1ab7 n ARG 54 Ca 0.35 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 57.04 1ab7 n ARG 54 Cb 0.50 -2.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.28 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ab7 n GLN 55 N 3.18 0.00 0.00 5.56 3.00 -1.24 -3.96 117.38 123.93 1ab7 n GLN 55 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1ab7 n GLN 55 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.53 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1ab7 n PHE 56 N -0.14 0.00 -0.29 1.08 -0.00 -1.26 -4.38 117.46 112.46 1ab7 n PHE 56 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.63 1ab7 n PHE 56 Cb 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 39.48 39.94 1ab7 n PHE 56 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1ab7 h GLU 57 N 0.00 0.49 0.43 -4.13 3.07 -1.95 0.19 114.58 112.68 1ab7 h GLU 57 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1ab7 h GLU 57 Cb 0.00 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1ab7 h GLU 57 CO 0.00 0.33 -0.44 -0.56 -1.40 0.00 0.00 179.01 176.93 1ab7 h GLN 58 N 0.51 -0.84 0.00 2.33 3.07 -1.97 -1.64 115.11 116.57 1ab7 h GLN 58 Ca 0.52 0.06 0.00 0.00 0.09 0.00 0.00 58.65 59.32 1ab7 h GLN 58 Cb 1.15 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.90 1ab7 h GLN 58 CO -0.25 -0.56 0.00 0.45 0.09 0.00 0.00 178.83 178.56 1ab7 n SER 59 N -5.10 0.00 0.13 0.06 2.88 -0.94 -3.25 113.62 107.40 1ab7 n SER 59 Ca -0.10 -0.24 0.06 0.00 -1.33 0.00 0.00 58.87 57.26 1ab7 n SER 59 Cb 0.40 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.64 1ab7 n SER 59 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ab7 h LYS 60 N 0.00 0.00 0.00 -1.46 3.11 0.17 -3.37 116.57 115.02 1ab7 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ab7 h LYS 60 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1ab7 h LYS 60 CO 0.00 0.24 -0.01 0.37 -2.81 0.00 0.00 179.45 177.24 1ab7 h GLN 61 N 0.00 0.00 -0.96 1.90 5.75 -1.31 -3.32 115.11 117.17 1ab7 h GLN 61 Ca -0.04 0.00 0.28 0.00 -0.15 0.00 0.00 58.65 58.74 1ab7 h GLN 61 Cb 1.26 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.77 1ab7 h GLN 61 CO 0.03 0.00 1.15 1.47 -2.65 0.00 0.00 178.83 178.83 1ab7 n LEU 62 N -3.31 0.00 0.00 -2.39 -0.00 -1.26 -4.07 117.00 105.97 1ab7 n LEU 62 Ca -0.00 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1ab7 n LEU 62 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1ab7 n LEU 62 CO 0.00 -0.71 0.00 1.07 -0.00 0.00 0.00 177.39 177.75 1ab7 n THR 63 N -3.11 0.00 -2.71 1.47 5.66 -1.25 -4.96 114.28 109.38 1ab7 n THR 63 Ca 0.22 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.14 1ab7 n THR 63 Cb 1.44 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 70.31 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ab7 n GLU 64 N 0.00 0.86 -0.82 1.09 0.28 -1.26 -4.91 120.64 115.88 1ab7 n GLU 64 Ca 0.00 -1.67 0.00 0.00 -0.16 0.00 0.00 57.16 55.33 1ab7 n GLU 64 Cb 0.00 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ab7 n ASN 65 N 0.29 -2.46 -0.01 -1.84 6.94 -1.26 -4.94 115.26 111.98 1ab7 n ASN 65 Ca 0.02 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.41 1ab7 n ASN 65 Cb 0.72 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.64 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1ab7 h GLY 66 N 0.00 0.72 0.07 4.83 0.00 -1.91 -2.80 103.07 103.97 1ab7 h GLY 66 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.24 1ab7 h GLY 66 CO 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 176.54 177.50 1ab7 h ALA 67 N 0.47 -0.00 0.00 3.60 0.00 -1.87 -3.05 119.26 118.40 1ab7 h ALA 67 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ab7 h ALA 67 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ab7 h ALA 67 CO 0.15 -0.03 0.19 1.05 0.00 0.00 0.00 179.25 180.61 1ab7 h GLU 68 N -0.93 0.00 0.00 0.00 4.11 -1.91 -1.14 114.58 114.71 1ab7 h GLU 68 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ab7 h GLU 68 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ab7 h GLU 68 CO 0.00 0.00 -0.37 0.77 0.07 0.00 0.00 179.01 179.48 1ab7 h SER 69 N 0.00 0.00 -0.49 3.06 0.02 -1.49 -0.41 113.55 114.24 1ab7 h SER 69 Ca 0.00 -0.11 0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1ab7 h SER 69 Cb 0.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ab7 h SER 69 CO 0.00 0.75 0.51 0.58 -1.14 0.00 0.00 176.83 177.53 1ab7 h VAL 70 N -1.00 0.36 0.20 2.27 2.07 -1.36 0.40 116.25 119.19 1ab7 h VAL 70 Ca -0.03 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.20 1ab7 h VAL 70 Cb 0.43 0.60 0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1ab7 h VAL 70 CO -0.02 0.00 -1.32 0.25 0.02 0.00 0.00 177.57 176.50 1ab7 h LEU 71 N 0.00 0.67 -1.86 2.57 5.85 -1.28 -0.33 115.31 120.93 1ab7 h LEU 71 Ca 0.23 -0.93 0.11 0.00 0.84 0.00 0.00 57.88 58.13 1ab7 h LEU 71 Cb 1.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1ab7 h LEU 71 CO -0.00 1.63 0.33 1.56 -0.34 0.00 0.00 178.44 181.61 1ab7 h GLN 72 N -0.05 0.16 0.05 1.25 4.20 0.15 -0.24 115.11 120.63 1ab7 h GLN 72 Ca -0.24 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 1ab7 h GLN 72 Cb 1.98 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 1ab7 h GLN 72 CO 0.21 0.10 -0.55 0.28 -0.67 0.00 0.00 178.83 178.20 1ab7 h VAL 73 N 0.16 1.51 -0.18 -0.54 2.07 -1.25 -1.02 116.25 117.00 1ab7 h VAL 73 Ca 0.22 -2.38 0.05 0.00 0.82 0.00 0.00 66.70 65.42 1ab7 h VAL 73 Cb 0.67 3.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.47 1ab7 h VAL 73 CO -0.03 0.60 -0.29 -0.26 0.02 0.00 0.00 177.57 177.61 1ab7 h PHE 74 N -0.76 -0.80 -0.75 1.57 0.04 -0.49 0.23 116.94 115.97 1ab7 h PHE 74 Ca -0.12 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.71 1ab7 h PHE 74 Cb 1.29 0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.78 1ab7 h PHE 74 CO 0.21 -0.37 0.48 0.00 -0.60 0.00 0.00 178.31 178.03 1ab7 h ARG 75 N -0.34 0.92 -0.50 1.51 3.08 -1.18 0.53 114.38 118.40 1ab7 h ARG 75 Ca 0.11 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.25 1ab7 h ARG 75 Cb 0.51 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1ab7 h ARG 75 CO -0.37 0.61 0.39 0.93 -1.07 0.00 0.00 179.97 180.45 1ab7 h GLU 76 N 0.95 0.00 0.01 0.04 4.39 0.73 0.36 114.58 121.06 1ab7 h GLU 76 Ca 0.30 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1ab7 h GLU 76 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ab7 h GLU 76 CO -0.10 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 177.66 1ab7 h ALA 77 N 1.69 0.00 0.00 3.43 0.00 0.13 -1.24 119.26 123.27 1ab7 h ALA 77 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ab7 h ALA 77 Cb 1.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ab7 h ALA 77 CO -0.00 0.05 0.00 0.36 0.00 0.00 0.00 179.25 179.65 1ab7 n LYS 78 N -4.57 0.01 0.00 0.00 -0.00 -0.55 0.95 118.16 113.99 1ab7 n LYS 78 Ca -0.11 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1ab7 n LYS 78 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 n ALA 79 N -1.49 0.00 -0.14 0.58 0.00 0.12 -4.62 120.51 114.96 1ab7 n ALA 79 Ca 0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 79 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1ab7 n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ab7 h GLU 80 N 0.00 -0.38 0.00 0.00 4.39 -1.26 -3.44 114.58 113.88 1ab7 h GLU 80 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ab7 h GLU 80 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ab7 h GLU 80 CO 0.00 -0.26 0.00 0.41 -1.16 0.00 0.00 179.01 178.00 1ab7 n GLY 81 N -1.38 0.13 3.04 -3.84 0.00 -0.99 -5.10 105.19 97.05 1ab7 n GLY 81 Ca -0.03 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -0.84 -4.45 -2.44 4.61 0.00 0.27 -4.85 120.51 112.80 1ab7 n ALA 82 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 1ab7 n ALA 82 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1ab7 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab7 n ASP 83 N 3.02 6.08 -4.92 0.00 8.00 -1.26 -4.06 116.55 123.42 1ab7 n ASP 83 Ca 0.02 -3.74 -0.26 0.00 0.71 0.00 0.00 54.79 51.52 1ab7 n ASP 83 Cb 0.51 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -4.92 5.07 -0.58 0.53 1.01 -1.26 -1.04 121.20 120.02 1ab7 s ILE 84 Ca 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 1ab7 s ILE 84 Cb 0.34 -3.80 0.15 0.00 0.01 0.00 0.00 42.46 39.16 1ab7 s ILE 84 CO -0.23 -0.45 0.38 -0.89 0.00 0.00 0.00 174.94 173.74 1ab7 s THR 85 N -2.21 3.49 -0.44 2.92 2.01 0.15 -4.70 115.64 116.85 1ab7 s THR 85 Ca 0.42 -2.86 -0.29 0.00 0.31 0.00 0.00 61.69 59.27 1ab7 s THR 85 Cb -0.10 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1ab7 s THR 85 CO 0.34 -0.84 1.26 -0.63 -0.69 0.00 0.00 174.62 174.06 1ab7 s ILE 86 N 0.10 4.07 -0.12 1.82 1.09 -1.26 0.17 121.20 127.08 1ab7 s ILE 86 Ca 0.16 1.10 -0.03 0.00 -1.10 0.00 0.00 60.65 60.78 1ab7 s ILE 86 Cb -0.21 -4.41 -0.03 0.00 -1.06 0.00 0.00 42.46 36.74 1ab7 s ILE 86 CO -0.03 -0.88 -0.02 -0.63 -0.10 0.00 0.00 174.94 173.28 1ab7 s ILE 87 N 4.88 4.11 -0.49 2.92 -1.09 -0.60 -4.96 121.20 125.98 1ab7 s ILE 87 Ca 0.54 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 1ab7 s ILE 87 Cb -0.10 -2.76 0.29 0.00 -1.58 0.00 0.00 42.46 38.30 1ab7 s ILE 87 CO 0.32 0.55 0.70 0.18 -1.23 0.00 0.00 174.94 175.46 1ab7 n LEU 88 N 2.78 2.02 0.00 2.97 4.77 -1.26 -1.44 117.00 126.84 1ab7 n LEU 88 Ca -0.18 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 1ab7 n LEU 88 Cb 0.53 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1ab7 n LEU 88 CO 0.30 2.16 0.00 -0.24 -1.33 0.00 0.00 177.39 178.29