#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 2.91 -0.07 1.97 2.20 -1.26 -1.06 119.74 124.43 1ab7 s LYS 2 Ca 0.00 -1.01 -0.13 0.00 -0.36 0.00 0.00 55.97 54.46 1ab7 s LYS 2 Cb 0.00 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1ab7 s LYS 2 CO 0.00 -0.63 0.33 0.00 -0.36 0.00 0.00 175.35 174.69 1ab7 s ALA 3 N 1.54 3.69 -0.10 3.13 0.00 0.13 -4.86 121.76 125.30 1ab7 s ALA 3 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1ab7 s ALA 3 Cb -0.19 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1ab7 s ALA 3 CO 0.06 0.38 -0.15 0.08 0.00 0.00 0.00 175.76 176.13 1ab7 s VAL 4 N -0.58 1.48 -0.50 0.00 1.01 -1.26 -0.31 120.40 120.24 1ab7 s VAL 4 Ca 0.20 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1ab7 s VAL 4 Cb -0.15 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1ab7 s VAL 4 CO 0.09 0.44 0.63 -0.63 0.00 0.00 0.00 175.10 175.63 1ab7 s ILE 5 N 0.90 4.86 -0.72 2.22 -1.09 -0.48 -4.88 121.20 122.02 1ab7 s ILE 5 Ca -0.08 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1ab7 s ILE 5 Cb -0.15 -4.29 0.19 0.00 -1.58 0.00 0.00 42.46 36.62 1ab7 s ILE 5 CO -0.00 -0.79 0.63 0.20 -1.23 0.00 0.00 174.94 173.74 1ab7 s ASN 6 N 2.64 6.26 0.08 3.58 0.01 -1.26 -1.05 114.94 125.19 1ab7 s ASN 6 Ca 0.16 -2.58 0.16 0.00 -0.71 0.00 0.00 52.86 49.89 1ab7 s ASN 6 Cb -0.19 -2.11 0.67 0.00 0.41 0.00 0.00 41.25 40.04 1ab7 s ASN 6 CO 0.13 -0.56 1.49 0.61 -1.51 0.00 0.00 177.10 177.25 1ab7 n GLY 7 N 4.06 -1.02 0.18 0.66 0.00 -1.26 -1.65 105.19 106.16 1ab7 n GLY 7 Ca 0.08 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ab7 h GLU 8 N 0.00 0.00 0.00 1.61 4.57 -1.94 -3.16 114.58 115.66 1ab7 h GLU 8 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ab7 h GLU 8 Cb 0.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1ab7 h GLU 8 CO 0.00 0.00 -1.13 0.94 -1.18 0.00 0.00 179.01 177.64 1ab7 n GLN 9 N -2.56 0.72 -2.08 1.92 7.27 -0.66 -4.91 117.38 117.09 1ab7 n GLN 9 Ca 0.02 -0.02 -0.37 0.00 0.07 0.00 0.00 57.00 56.71 1ab7 n GLN 9 Cb 0.30 -1.07 -0.03 0.00 2.41 0.00 0.00 30.24 31.86 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 -2.17 3.40 0.14 1.69 -1.09 -0.66 -4.81 121.20 117.71 1ab7 s ILE 10 Ca -0.01 0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 1ab7 s ILE 10 Cb 0.02 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1ab7 s ILE 10 CO 0.11 -0.99 1.79 0.03 -1.23 0.00 0.00 174.94 174.65 1ab7 h ARG 11 N 13.93 0.48 -4.10 2.79 3.08 -1.91 -3.46 114.38 125.19 1ab7 h ARG 11 Ca -0.19 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1ab7 h ARG 11 Cb 1.13 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.94 1ab7 h ARG 11 CO 1.22 0.34 -0.43 -1.54 -1.07 0.00 0.00 179.97 178.50 1ab7 s SER 12 N -5.55 0.11 0.45 7.04 1.04 -1.26 -5.01 113.70 110.52 1ab7 s SER 12 Ca -0.13 -1.04 0.30 0.00 0.48 0.00 0.00 55.95 55.56 1ab7 s SER 12 Cb 0.10 0.41 1.40 0.00 0.10 0.00 0.00 66.02 68.03 1ab7 s SER 12 CO 0.72 -0.87 1.67 -0.29 0.98 0.00 0.00 173.24 175.45 1ab7 h ILE 13 N 2.60 0.23 -0.41 -1.02 -0.00 -1.88 0.19 117.51 117.22 1ab7 h ILE 13 Ca -0.33 -0.05 0.09 0.00 -0.00 0.00 0.00 64.86 64.57 1ab7 h ILE 13 Cb 1.23 0.08 -0.09 0.00 -0.00 0.00 0.00 36.82 38.04 1ab7 h ILE 13 CO 0.50 0.02 -0.19 0.28 -0.00 0.00 0.00 178.15 178.77 1ab7 h SER 14 N 0.13 -0.65 0.95 2.19 0.02 -1.97 0.26 113.55 114.49 1ab7 h SER 14 Ca 0.76 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.86 1ab7 h SER 14 Cb 2.42 0.36 0.00 0.00 0.14 0.00 0.00 62.40 65.32 1ab7 h SER 14 CO -0.31 -0.22 0.00 0.44 -1.14 0.00 0.00 176.83 175.60 1ab7 h ASP 15 N -0.11 0.00 0.77 3.07 5.19 -1.00 -3.06 116.42 121.28 1ab7 h ASP 15 Ca 0.20 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1ab7 h ASP 15 Cb 0.42 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.94 1ab7 h ASP 15 CO -0.48 0.00 -0.37 0.25 -3.12 0.00 0.00 179.24 175.52 1ab7 h LEU 16 N 0.00 -0.88 -1.40 1.55 5.85 -0.28 0.56 115.31 120.71 1ab7 h LEU 16 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ab7 h LEU 16 Cb 0.48 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1ab7 h LEU 16 CO 0.00 -0.58 0.00 0.45 -0.34 0.00 0.00 178.44 177.97 1ab7 h HIS 17 N -1.11 0.00 0.05 1.25 3.86 -1.42 0.19 115.15 117.96 1ab7 h HIS 17 Ca -0.11 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.86 1ab7 h HIS 17 Cb 0.81 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1ab7 h HIS 17 CO -0.01 0.00 -1.14 1.96 0.86 0.00 0.00 177.93 179.60 1ab7 h GLN 18 N 0.00 0.10 -0.09 2.45 4.20 -1.22 0.88 115.11 121.43 1ab7 h GLN 18 Ca 0.00 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.36 1ab7 h GLN 18 Cb 0.13 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1ab7 h GLN 18 CO 0.00 1.06 -0.69 1.15 -0.67 0.00 0.00 178.83 179.67 1ab7 h THR 19 N 0.03 1.37 0.00 -0.54 2.02 0.16 0.24 112.91 116.19 1ab7 h THR 19 Ca -0.08 -2.07 -0.21 0.00 0.77 0.00 0.00 66.41 64.82 1ab7 h THR 19 Cb 1.86 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 70.29 1ab7 h THR 19 CO 0.15 0.63 -1.02 -0.07 0.37 0.00 0.00 175.52 175.58 1ab7 h LEU 20 N 0.29 0.01 -0.56 2.58 3.38 -1.27 -1.25 115.31 118.49 1ab7 h LEU 20 Ca -0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 20 Cb 1.26 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ab7 h LEU 20 CO 0.12 1.01 -0.25 0.50 0.09 0.00 0.00 178.44 179.91 1ab7 h LYS 21 N 0.00 0.00 0.14 1.13 3.64 -0.61 -0.78 116.57 120.09 1ab7 h LYS 21 Ca -0.02 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.02 1ab7 h LYS 21 Cb 1.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.59 1ab7 h LYS 21 CO 0.13 0.25 -1.80 -0.22 -2.27 0.00 0.00 179.45 175.54 1ab7 h LYS 22 N 0.00 0.29 -0.00 1.90 3.64 -0.42 -1.11 116.57 120.88 1ab7 h LYS 22 Ca -0.00 -0.50 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1ab7 h LYS 22 Cb 0.98 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1ab7 h LYS 22 CO 0.03 1.18 -0.36 0.93 -2.27 0.00 0.00 179.45 178.96 1ab7 h GLU 23 N 0.08 0.25 0.00 1.90 4.39 -1.23 -3.29 114.58 116.68 1ab7 h GLU 23 Ca -0.35 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 58.95 1ab7 h GLU 23 Cb 2.06 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.76 1ab7 h GLU 23 CO 0.14 0.98 -0.68 -0.07 -1.16 0.00 0.00 179.01 178.21 1ab7 h LEU 24 N -0.38 0.00 -2.09 1.33 3.38 -1.32 -3.45 115.31 112.78 1ab7 h LEU 24 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ab7 h LEU 24 Cb 1.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 1ab7 h LEU 24 CO 0.07 0.60 -0.11 0.00 0.09 0.00 0.00 178.44 179.09 1ab7 n ALA 25 N -2.27 -0.35 -1.32 1.53 0.00 -0.49 -4.73 120.51 112.88 1ab7 n ALA 25 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ab7 n ALA 25 Cb 0.78 -0.83 0.16 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.71 1.78 0.00 0.00 1.43 -0.77 -5.01 118.68 113.40 1ab7 s LEU 26 Ca 0.01 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.15 1ab7 s LEU 26 Cb -0.00 -3.35 0.09 0.00 0.03 0.00 0.00 46.19 42.96 1ab7 s LEU 26 CO 0.10 -2.89 0.45 -0.81 0.23 0.00 0.00 176.35 173.43 1ab7 n PRO 27 N -4.01 -1.00 0.13 1.29 -0.04 -1.26 -4.96 135.00 125.16 1ab7 n PRO 27 Ca 0.06 -0.71 -0.22 0.00 -0.04 0.00 0.00 63.50 62.59 1ab7 n PRO 27 Cb 0.58 -0.54 -0.15 0.00 -0.04 0.00 0.00 33.50 33.35 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 0.46 0.00 0.54 4.81 -2.01 -3.20 114.58 115.19 1ab7 h GLU 28 Ca -0.15 -0.79 0.00 0.00 -0.13 0.00 0.00 59.36 58.28 1ab7 h GLU 28 Cb 0.44 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ab7 h GLU 28 CO 0.11 1.38 0.00 2.48 -0.73 0.00 0.00 179.01 182.24 1ab7 n TYR 29 N -3.66 0.00 -1.03 0.92 0.18 -1.26 -4.87 117.16 107.44 1ab7 n TYR 29 Ca -0.15 0.00 -0.49 0.00 1.88 0.00 0.00 57.90 59.14 1ab7 n TYR 29 Cb 1.08 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.95 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 -0.78 0.96 0.31 -3.48 9.36 -1.21 -4.66 117.16 117.66 1ab7 n TYR 30 Ca 0.12 0.64 0.13 0.00 3.32 0.00 0.00 57.90 62.10 1ab7 n TYR 30 Cb 0.05 -1.85 0.68 0.00 -0.63 0.00 0.00 39.34 37.59 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ab7 h GLY 31 N 7.13 0.00 -5.64 2.98 0.00 -1.89 -3.45 103.07 102.20 1ab7 h GLY 31 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.91 1ab7 h GLY 31 CO 0.88 0.00 -0.79 1.18 0.00 0.00 0.00 176.54 177.81 1ab7 n GLU 32 N -2.72 -5.75 -0.88 4.80 1.02 -1.26 -4.89 120.64 110.95 1ab7 n GLU 32 Ca -0.02 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 1ab7 n GLU 32 Cb 0.41 -5.82 0.00 0.00 -0.02 0.00 0.00 31.44 26.01 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ab7 n ASN 33 N -3.14 0.00 0.17 1.62 0.23 -1.26 -4.97 115.26 107.91 1ab7 n ASN 33 Ca -0.25 -0.81 0.13 0.00 -0.53 0.00 0.00 54.58 53.12 1ab7 n ASN 33 Cb 0.66 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.79 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1ab7 h LEU 34 N 0.00 0.00 0.00 -4.53 -0.00 -1.93 -0.67 115.31 108.18 1ab7 h LEU 34 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ab7 h LEU 34 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ab7 h LEU 34 CO 0.00 0.00 -0.03 -2.24 -0.00 0.00 0.00 178.44 176.17 1ab7 h ASP 35 N 0.00 0.00 0.51 0.17 2.03 -1.96 -0.73 116.42 116.45 1ab7 h ASP 35 Ca 0.00 -0.76 -0.18 0.00 -0.73 0.00 0.00 57.03 55.36 1ab7 h ASP 35 Cb 0.66 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.15 1ab7 h ASP 35 CO 0.00 0.89 -0.79 0.00 -1.03 0.00 0.00 179.24 178.31 1ab7 h ALA 36 N -0.24 0.62 0.27 4.15 0.00 -1.90 0.37 119.26 122.52 1ab7 h ALA 36 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1ab7 h ALA 36 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ab7 h ALA 36 CO -0.00 0.86 -0.13 1.25 0.00 0.00 0.00 179.25 181.22 1ab7 h LEU 37 N 0.13 -0.31 -1.22 0.00 5.85 -1.25 0.19 115.31 118.71 1ab7 h LEU 37 Ca -0.03 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1ab7 h LEU 37 Cb 1.38 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1ab7 h LEU 37 CO 0.12 0.15 0.56 -0.25 -0.34 0.00 0.00 178.44 178.68 1ab7 h TRP 38 N -0.86 0.94 -0.18 1.25 -0.00 -1.17 0.64 115.95 116.56 1ab7 h TRP 38 Ca -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.83 1ab7 h TRP 38 Cb 0.51 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.36 1ab7 h TRP 38 CO 0.05 0.45 -0.08 -0.44 -0.00 0.00 0.00 178.44 178.42 1ab7 h ASP 39 N 0.89 0.26 0.00 2.65 3.32 -0.73 -0.73 116.42 122.08 1ab7 h ASP 39 Ca 0.39 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1ab7 h ASP 39 Cb 0.35 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ab7 h ASP 39 CO -0.16 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1ab7 n ALA 40 N -2.49 0.00 -0.28 3.45 0.00 0.18 -3.99 120.51 117.38 1ab7 n ALA 40 Ca -0.00 -0.01 0.21 0.00 0.00 0.00 0.00 53.44 53.64 1ab7 n ALA 40 Cb 0.24 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.10 1ab7 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab7 n LEU 41 N -1.83 0.14 -1.63 0.00 4.77 0.14 0.20 117.00 118.79 1ab7 n LEU 41 Ca 0.00 1.42 -0.04 0.00 -0.03 0.00 0.00 56.01 57.36 1ab7 n LEU 41 Cb 0.00 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1ab7 n LEU 41 CO 0.00 -1.53 1.12 0.35 -1.33 0.00 0.00 177.39 176.00 1ab7 n THR 42 N -5.03 2.24 0.00 -5.08 -2.24 -0.28 -4.21 114.28 99.67 1ab7 n THR 42 Ca 0.27 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1ab7 n THR 42 Cb 0.92 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab7 n GLY 43 N 1.52 0.25 0.54 3.38 0.00 0.52 -4.93 105.19 106.47 1ab7 n GLY 43 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -1.53 -0.59 1.61 -0.00 0.18 -4.79 117.44 112.33 1ab7 n TRP 44 Ca 0.00 0.16 0.46 0.00 -0.00 0.00 0.00 57.50 58.12 1ab7 n TRP 44 Cb 0.00 0.61 0.71 0.00 -0.00 0.00 0.00 31.31 32.63 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ab7 n VAL 45 N -2.25 0.00 -0.75 5.87 0.31 -1.20 -4.85 118.33 115.47 1ab7 n VAL 45 Ca 0.00 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.68 1ab7 n VAL 45 Cb 0.00 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 30.66 1ab7 n VAL 45 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ab7 n GLU 46 N -3.67 -1.90 -4.51 5.55 4.07 -1.26 -4.14 120.64 114.79 1ab7 n GLU 46 Ca 0.38 1.43 -0.25 0.00 -0.06 0.00 0.00 57.16 58.66 1ab7 n GLU 46 Cb 1.81 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 31.59 1ab7 n GLU 46 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1ab7 s TYR 47 N -1.12 2.36 0.40 4.31 2.02 -1.26 -3.20 117.35 120.85 1ab7 s TYR 47 Ca 0.00 -0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.03 1ab7 s TYR 47 Cb 0.00 -1.21 -0.08 0.00 -0.40 0.00 0.00 41.96 40.26 1ab7 s TYR 47 CO 0.00 0.64 1.14 -1.25 -1.57 0.00 0.00 175.55 174.51 1ab7 s PRO 48 N -3.57 4.08 0.28 -1.71 0.04 -1.26 -4.84 135.00 128.02 1ab7 s PRO 48 Ca 0.31 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.22 1ab7 s PRO 48 Cb -0.01 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1ab7 s PRO 48 CO 0.16 -0.27 -0.13 -1.17 0.04 0.00 0.00 177.00 175.63 1ab7 s LEU 49 N -2.53 2.79 -0.31 -3.56 2.96 -0.47 -2.51 118.68 115.05 1ab7 s LEU 49 Ca 0.57 -0.93 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1ab7 s LEU 49 Cb -0.28 -1.28 0.09 0.00 0.50 0.00 0.00 46.19 45.21 1ab7 s LEU 49 CO 0.36 -0.00 0.05 -0.69 -1.32 0.00 0.00 176.35 174.74 1ab7 s VAL 50 N -2.46 1.67 -1.40 1.68 1.01 -0.22 -0.95 120.40 119.72 1ab7 s VAL 50 Ca 0.31 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1ab7 s VAL 50 Cb -0.05 -2.18 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1ab7 s VAL 50 CO 0.17 -0.54 2.21 -0.11 0.00 0.00 0.00 175.10 176.83 1ab7 n LEU 51 N 4.53 7.19 -4.57 3.92 7.94 0.12 0.22 117.00 136.36 1ab7 n LEU 51 Ca -0.01 -4.45 -0.22 0.00 -1.11 0.00 0.00 56.01 50.22 1ab7 n LEU 51 Cb 0.42 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.76 1ab7 n LEU 51 CO 0.18 1.46 1.30 -0.70 -1.11 0.00 0.00 177.39 178.52 1ab7 s GLU 52 N 1.47 2.04 -0.43 1.96 2.56 0.57 -1.64 118.70 125.23 1ab7 s GLU 52 Ca 0.48 -0.37 -0.28 0.00 0.00 0.00 0.00 54.97 54.80 1ab7 s GLU 52 Cb 0.13 -5.03 0.03 0.00 2.00 0.00 0.00 34.13 31.26 1ab7 s GLU 52 CO -0.05 -4.21 1.07 -0.46 -0.56 0.00 0.00 175.26 171.05 1ab7 s TRP 53 N 12.81 2.93 0.00 5.30 -0.11 -0.09 -1.38 118.94 138.40 1ab7 s TRP 53 Ca 0.77 0.78 0.00 0.00 1.22 0.00 0.00 56.10 58.87 1ab7 s TRP 53 Cb -0.06 -4.13 0.00 0.00 -1.50 0.00 0.00 33.47 27.78 1ab7 s TRP 53 CO 0.09 -1.09 0.00 0.54 -4.62 0.00 0.00 176.95 171.86 1ab7 n ARG 54 N 7.42 2.99 -1.48 5.86 1.74 -0.22 -4.05 116.66 128.92 1ab7 n ARG 54 Ca 0.11 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 1ab7 n ARG 54 Cb 0.48 0.00 -0.19 0.00 -1.02 0.00 0.00 32.46 31.73 1ab7 n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ab7 n GLN 55 N 0.00 0.00 -0.03 5.56 0.00 -1.26 -4.71 117.38 116.94 1ab7 n GLN 55 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 1ab7 n GLN 55 Cb 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 30.24 28.96 1ab7 n GLN 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1ab7 h PHE 56 N 11.28 0.65 0.00 2.61 3.57 -1.82 -3.38 116.94 129.86 1ab7 h PHE 56 Ca 0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ab7 h PHE 56 Cb 1.19 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1ab7 h PHE 56 CO 1.25 1.04 0.00 0.39 -2.23 0.00 0.00 178.31 178.75 1ab7 n GLU 57 N -4.29 0.00 -0.88 1.11 1.02 -1.26 -4.33 120.64 112.01 1ab7 n GLU 57 Ca -0.08 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 1ab7 n GLU 57 Cb 0.56 -0.84 0.08 0.00 -0.02 0.00 0.00 31.44 31.22 1ab7 n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ab7 n GLN 58 N -0.61 -0.56 0.00 3.49 0.00 -1.26 -2.53 117.38 115.91 1ab7 n GLN 58 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 57.00 56.84 1ab7 n GLN 58 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 28.98 1ab7 n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ab7 n SER 59 N 1.59 0.00 0.19 2.61 2.88 -1.26 -4.63 113.62 115.00 1ab7 n SER 59 Ca -0.01 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1ab7 n SER 59 Cb 0.69 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.27 1ab7 n SER 59 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1ab7 h LYS 60 N 0.00 0.00 0.00 -1.46 1.57 -1.68 -3.36 116.57 111.63 1ab7 h LYS 60 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ab7 h LYS 60 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ab7 h LYS 60 CO 0.00 0.02 -0.00 0.37 -0.57 0.00 0.00 179.45 179.27 1ab7 h GLN 61 N 0.00 -0.00 -1.12 3.15 4.15 -1.82 -3.31 115.11 116.15 1ab7 h GLN 61 Ca -0.00 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.76 1ab7 h GLN 61 Cb 1.02 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.65 1ab7 h GLN 61 CO 0.00 -0.00 0.78 1.28 -1.93 0.00 0.00 178.83 178.96 1ab7 n LEU 62 N -2.05 0.05 0.00 -2.39 4.32 -1.26 -4.13 117.00 111.54 1ab7 n LEU 62 Ca -0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 1ab7 n LEU 62 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1ab7 n LEU 62 CO 0.00 -0.75 0.00 1.07 -1.22 0.00 0.00 177.39 176.49 1ab7 n THR 63 N -3.48 0.00 -0.01 -5.08 5.66 -1.25 -5.02 114.28 105.11 1ab7 n THR 63 Ca 0.27 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.27 1ab7 n THR 63 Cb 1.18 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.95 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 2.50 0.00 1.09 0.28 -1.26 -4.94 120.64 118.31 1ab7 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ab7 n GLU 64 Cb 0.00 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1ab7 n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ab7 n ASN 65 N -2.22 0.00 0.15 -1.84 3.02 -1.26 -4.98 115.26 108.14 1ab7 n ASN 65 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.45 1ab7 n ASN 65 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ab7 h GLY 66 N 0.00 -0.49 0.64 7.41 0.00 -1.89 -1.55 103.07 107.19 1ab7 h GLY 66 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.58 1ab7 h GLY 66 CO 0.00 -0.18 0.48 0.00 0.00 0.00 0.00 176.54 176.84 1ab7 h ALA 67 N -1.15 1.11 0.00 3.60 0.00 -1.89 0.98 119.26 121.91 1ab7 h ALA 67 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ab7 h ALA 67 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ab7 h ALA 67 CO 0.08 0.16 -0.09 1.49 0.00 0.00 0.00 179.25 180.90 1ab7 h GLU 68 N 0.85 0.00 0.00 0.00 4.22 -1.92 -2.70 114.58 115.03 1ab7 h GLU 68 Ca 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1ab7 h GLU 68 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ab7 h GLU 68 CO -0.20 0.09 -0.20 1.03 -2.18 0.00 0.00 179.01 177.55 1ab7 h SER 69 N 0.00 0.00 -0.70 1.04 0.87 0.21 -0.83 113.55 114.14 1ab7 h SER 69 Ca -0.00 -0.28 0.20 0.00 -1.23 0.00 0.00 61.79 60.48 1ab7 h SER 69 Cb 0.46 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1ab7 h SER 69 CO 0.01 0.75 0.65 0.58 -0.53 0.00 0.00 176.83 178.29 1ab7 h VAL 70 N -1.00 0.36 0.16 2.23 2.07 -1.24 0.51 116.25 119.35 1ab7 h VAL 70 Ca -0.03 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 1ab7 h VAL 70 Cb 0.44 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1ab7 h VAL 70 CO -0.02 0.00 -1.02 0.25 0.02 0.00 0.00 177.57 176.80 1ab7 h LEU 71 N 0.00 0.53 -2.02 2.57 5.85 -1.51 -0.19 115.31 120.54 1ab7 h LEU 71 Ca 0.33 -0.94 0.14 0.00 0.84 0.00 0.00 57.88 58.25 1ab7 h LEU 71 Cb 1.62 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1ab7 h LEU 71 CO -0.00 1.48 0.38 1.56 -0.34 0.00 0.00 178.44 181.52 1ab7 h GLN 72 N -0.27 0.00 0.13 1.25 4.20 0.15 -0.25 115.11 120.33 1ab7 h GLN 72 Ca -0.18 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.25 1ab7 h GLN 72 Cb 1.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1ab7 h GLN 72 CO 0.16 0.00 -1.40 0.28 -0.67 0.00 0.00 178.83 177.20 1ab7 h VAL 73 N 0.00 1.07 0.29 -0.54 2.07 -1.16 -0.47 116.25 117.50 1ab7 h VAL 73 Ca 0.23 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1ab7 h VAL 73 Cb 0.99 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 1ab7 h VAL 73 CO -0.00 0.73 -0.36 -0.26 0.02 0.00 0.00 177.57 177.69 1ab7 h PHE 74 N -0.25 -0.99 -0.84 1.57 0.04 0.08 0.75 116.94 117.30 1ab7 h PHE 74 Ca -0.29 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 1ab7 h PHE 74 Cb 1.80 0.40 -0.04 0.00 2.20 0.00 0.00 35.95 40.31 1ab7 h PHE 74 CO 0.13 -0.50 0.41 0.00 -0.60 0.00 0.00 178.31 177.75 1ab7 h ARG 75 N -0.70 1.20 -0.36 1.51 3.08 -1.24 -1.07 114.38 116.80 1ab7 h ARG 75 Ca -0.01 -0.17 0.11 0.00 0.07 0.00 0.00 59.98 59.97 1ab7 h ARG 75 Cb 0.66 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1ab7 h ARG 75 CO -0.11 0.92 0.28 0.93 -1.07 0.00 0.00 179.97 180.92 1ab7 h GLU 76 N 1.19 0.00 0.00 0.04 5.08 -0.05 0.32 114.58 121.17 1ab7 h GLU 76 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ab7 h GLU 76 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ab7 h GLU 76 CO -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1ab7 h ALA 77 N 1.78 0.00 0.00 3.43 0.00 0.33 -1.66 119.26 123.14 1ab7 h ALA 77 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ab7 h ALA 77 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ab7 h ALA 77 CO -0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1ab7 n LYS 78 N -4.64 0.07 -0.01 0.00 -0.00 -0.66 0.14 118.16 113.05 1ab7 n LYS 78 Ca -0.08 0.49 -0.01 0.00 -0.00 0.00 0.00 58.31 58.71 1ab7 n LYS 78 Cb 0.38 -1.69 -0.00 0.00 -0.00 0.00 0.00 35.03 33.72 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 h ALA 79 N 2.11 0.00 0.21 0.58 0.00 -0.35 -3.42 119.26 118.39 1ab7 h ALA 79 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ab7 h ALA 79 Cb 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ab7 h ALA 79 CO 0.00 0.09 -0.43 0.93 0.00 0.00 0.00 179.25 179.85 1ab7 h GLU 80 N -0.19 -0.67 0.00 0.00 4.39 -1.26 -3.45 114.58 113.41 1ab7 h GLU 80 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ab7 h GLU 80 Cb 0.09 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1ab7 h GLU 80 CO 0.00 -0.44 0.00 0.41 -1.16 0.00 0.00 179.01 177.82 1ab7 n GLY 81 N -1.42 0.13 3.06 -3.84 0.00 -0.79 -5.09 105.19 97.23 1ab7 n GLY 81 Ca -0.08 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.95 -3.17 -2.70 4.61 0.00 0.38 -4.84 120.51 113.84 1ab7 n ALA 82 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 1ab7 n ALA 82 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 2.44 6.56 -4.69 0.00 9.92 -1.26 -3.78 116.55 125.74 1ab7 n ASP 83 Ca 0.07 -3.69 -0.31 0.00 -0.53 0.00 0.00 54.79 50.33 1ab7 n ASP 83 Cb 0.45 -0.99 -0.08 0.00 -0.64 0.00 0.00 41.12 39.86 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ab7 s ILE 84 N -4.41 4.08 -0.44 0.53 1.01 -1.26 -1.37 121.20 119.34 1ab7 s ILE 84 Ca 0.42 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 1ab7 s ILE 84 Cb 0.22 -2.92 0.11 0.00 0.01 0.00 0.00 42.46 39.89 1ab7 s ILE 84 CO -0.14 0.17 0.27 -0.89 0.00 0.00 0.00 174.94 174.35 1ab7 s THR 85 N -1.27 3.75 -0.33 2.92 2.01 -0.12 -4.56 115.64 118.03 1ab7 s THR 85 Ca 0.25 -1.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.08 1ab7 s THR 85 Cb -0.12 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1ab7 s THR 85 CO 0.17 -0.71 0.98 -0.63 -0.69 0.00 0.00 174.62 173.74 1ab7 s ILE 86 N 1.26 4.57 0.04 1.82 1.09 -1.26 -0.70 121.20 128.02 1ab7 s ILE 86 Ca 0.07 1.48 0.06 0.00 -1.10 0.00 0.00 60.65 61.16 1ab7 s ILE 86 Cb -0.24 -4.35 -0.03 0.00 -1.06 0.00 0.00 42.46 36.77 1ab7 s ILE 86 CO -0.02 -0.46 -0.13 -0.63 -0.10 0.00 0.00 174.94 173.59 1ab7 s ILE 87 N 3.49 3.17 0.00 2.92 1.01 -0.65 -4.97 121.20 126.17 1ab7 s ILE 87 Ca 0.41 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1ab7 s ILE 87 Cb -0.12 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1ab7 s ILE 87 CO 0.16 0.32 0.00 0.18 0.00 0.00 0.00 174.94 175.60 1ab7 n LEU 88 N 1.43 0.00 0.00 2.97 4.32 -1.26 -0.91 117.00 123.55 1ab7 n LEU 88 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1ab7 n LEU 88 Cb 0.52 0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1ab7 n LEU 88 CO 0.29 -0.13 0.00 -0.24 -1.22 0.00 0.00 177.39 176.09