#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 1.41 0.02 1.97 2.20 -1.26 -0.58 119.74 123.51 1ab7 s LYS 2 Ca 0.00 -1.29 -0.13 0.00 -0.36 0.00 0.00 55.97 54.19 1ab7 s LYS 2 Cb 0.00 -2.66 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 1ab7 s LYS 2 CO 0.00 -0.78 0.40 0.00 -0.36 0.00 0.00 175.35 174.61 1ab7 s ALA 3 N 1.28 3.71 -0.14 3.13 0.00 0.22 -4.86 121.76 125.09 1ab7 s ALA 3 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1ab7 s ALA 3 Cb -0.19 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.62 1ab7 s ALA 3 CO -0.11 0.51 -0.03 0.08 0.00 0.00 0.00 175.76 176.21 1ab7 s VAL 4 N -1.18 0.83 -0.44 0.00 1.01 -1.26 -0.16 120.40 119.20 1ab7 s VAL 4 Ca 0.26 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1ab7 s VAL 4 Cb -0.16 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1ab7 s VAL 4 CO 0.15 0.12 0.90 -0.63 0.00 0.00 0.00 175.10 175.63 1ab7 s ILE 5 N 1.76 4.53 -0.55 2.22 -1.09 -0.08 -4.90 121.20 123.09 1ab7 s ILE 5 Ca 0.02 0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 59.14 1ab7 s ILE 5 Cb -0.15 -4.39 0.14 0.00 -1.58 0.00 0.00 42.46 36.49 1ab7 s ILE 5 CO -0.07 -0.74 0.42 0.20 -1.23 0.00 0.00 174.94 173.52 1ab7 s ASN 6 N 2.15 5.76 0.00 3.58 -0.87 -1.26 0.29 114.94 124.59 1ab7 s ASN 6 Ca 0.36 -2.22 0.13 0.00 -1.57 0.00 0.00 52.86 49.56 1ab7 s ASN 6 Cb -0.11 -2.01 0.62 0.00 -0.02 0.00 0.00 41.25 39.74 1ab7 s ASN 6 CO 0.24 -0.61 1.40 0.61 -2.57 0.00 0.00 177.10 176.17 1ab7 n GLY 7 N 4.47 -0.86 0.18 0.66 0.00 -1.25 -1.33 105.19 107.05 1ab7 n GLY 7 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 4.81 -1.90 -3.28 114.58 115.82 1ab7 h GLU 8 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ab7 h GLU 8 Cb 0.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ab7 h GLU 8 CO 0.00 0.00 -1.05 0.94 -0.73 0.00 0.00 179.01 178.17 1ab7 n GLN 9 N -2.68 0.46 -1.99 1.92 7.27 -0.68 -4.92 117.38 116.76 1ab7 n GLN 9 Ca 0.04 -0.01 -0.34 0.00 0.07 0.00 0.00 57.00 56.76 1ab7 n GLN 9 Cb 0.41 -1.02 -0.04 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 -2.07 3.34 0.17 1.69 -1.09 -0.45 -4.79 121.20 118.01 1ab7 s ILE 10 Ca -0.00 0.02 -0.14 0.00 -2.23 0.00 0.00 60.65 58.30 1ab7 s ILE 10 Cb 0.01 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1ab7 s ILE 10 CO 0.04 -0.82 1.80 0.03 -1.23 0.00 0.00 174.94 174.76 1ab7 h ARG 11 N 14.25 0.51 -4.11 2.79 3.08 -1.91 -3.45 114.38 125.54 1ab7 h ARG 11 Ca -0.15 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 1ab7 h ARG 11 Cb 1.12 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.93 1ab7 h ARG 11 CO 1.21 0.34 -0.39 -1.54 -1.07 0.00 0.00 179.97 178.51 1ab7 s SER 12 N -5.53 0.06 0.47 7.04 1.04 -1.26 -5.01 113.70 110.51 1ab7 s SER 12 Ca -0.13 -1.11 0.29 0.00 0.48 0.00 0.00 55.95 55.48 1ab7 s SER 12 Cb 0.12 0.45 1.36 0.00 0.10 0.00 0.00 66.02 68.05 1ab7 s SER 12 CO 0.73 -0.94 1.76 -0.29 0.98 0.00 0.00 173.24 175.48 1ab7 h ILE 13 N 2.50 0.40 -0.54 -1.02 -0.00 -1.87 0.12 117.51 117.10 1ab7 h ILE 13 Ca -0.32 -0.06 0.10 0.00 -0.00 0.00 0.00 64.86 64.59 1ab7 h ILE 13 Cb 1.24 0.21 -0.08 0.00 -0.00 0.00 0.00 36.82 38.19 1ab7 h ILE 13 CO 0.47 0.03 0.05 0.28 -0.00 0.00 0.00 178.15 178.98 1ab7 h SER 14 N 0.17 -0.12 0.90 2.19 0.02 -1.97 0.26 113.55 114.99 1ab7 h SER 14 Ca 0.63 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.69 1ab7 h SER 14 Cb 2.05 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.78 1ab7 h SER 14 CO -0.18 -0.04 -0.04 0.44 -1.14 0.00 0.00 176.83 175.87 1ab7 h ASP 15 N 0.17 0.00 0.51 3.07 5.19 -1.14 -3.09 116.42 121.13 1ab7 h ASP 15 Ca 0.28 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1ab7 h ASP 15 Cb 0.42 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.93 1ab7 h ASP 15 CO -0.41 0.04 -0.25 0.25 -3.12 0.00 0.00 179.24 175.75 1ab7 h LEU 16 N 0.00 -0.58 -0.44 1.55 5.85 -0.38 -0.58 115.31 120.73 1ab7 h LEU 16 Ca -0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1ab7 h LEU 16 Cb 0.49 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1ab7 h LEU 16 CO 0.00 -0.29 0.09 0.45 -0.34 0.00 0.00 178.44 178.36 1ab7 h HIS 17 N -0.95 0.15 -0.72 1.25 3.86 -1.48 0.12 115.15 117.38 1ab7 h HIS 17 Ca -0.07 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1ab7 h HIS 17 Cb 0.53 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1ab7 h HIS 17 CO 0.04 0.01 0.48 -0.56 0.86 0.00 0.00 177.93 178.75 1ab7 h GLN 18 N 0.23 0.92 -0.41 2.45 -0.00 -1.60 0.17 115.11 116.87 1ab7 h GLN 18 Ca 0.22 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1ab7 h GLN 18 Cb 0.27 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.48 27.52 1ab7 h GLN 18 CO -0.28 0.61 0.25 1.15 -0.00 0.00 0.00 178.83 180.56 1ab7 h THR 19 N 0.95 1.12 0.00 1.86 2.02 0.86 0.34 112.91 120.06 1ab7 h THR 19 Ca 0.27 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 1ab7 h THR 19 Cb -0.07 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1ab7 h THR 19 CO -0.06 0.12 -0.64 -0.07 0.37 0.00 0.00 175.52 175.23 1ab7 h LEU 20 N 0.56 0.00 -0.63 2.58 3.38 0.36 -1.38 115.31 120.19 1ab7 h LEU 20 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1ab7 h LEU 20 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ab7 h LEU 20 CO -0.03 0.64 -0.07 0.50 0.09 0.00 0.00 178.44 179.58 1ab7 h LYS 21 N 0.00 0.00 0.11 1.13 3.64 0.20 -0.65 116.57 121.00 1ab7 h LYS 21 Ca -0.01 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 1ab7 h LYS 21 Cb 1.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1ab7 h LYS 21 CO 0.08 0.07 -1.91 -0.22 -2.27 0.00 0.00 179.45 175.20 1ab7 h LYS 22 N 0.00 0.24 0.04 1.90 3.64 -0.16 -1.06 116.57 121.17 1ab7 h LYS 22 Ca -0.00 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1ab7 h LYS 22 Cb 0.84 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1ab7 h LYS 22 CO 0.01 1.12 -0.02 0.93 -2.27 0.00 0.00 179.45 179.22 1ab7 h GLU 23 N 0.07 -0.06 0.00 1.90 4.39 -1.24 -3.29 114.58 116.35 1ab7 h GLU 23 Ca -0.39 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.19 1ab7 h GLU 23 Cb 2.04 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 1ab7 h GLU 23 CO 0.10 0.59 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.88 1ab7 h LEU 24 N -0.84 0.00 -2.19 1.33 3.38 -1.31 -3.45 115.31 112.23 1ab7 h LEU 24 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ab7 h LEU 24 Cb 0.67 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.46 1ab7 h LEU 24 CO 0.01 0.59 -0.17 0.00 0.09 0.00 0.00 178.44 178.96 1ab7 n ALA 25 N -2.30 -0.57 -1.31 1.53 0.00 -0.47 -4.85 120.51 112.53 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 0.70 -1.11 0.14 0.00 0.00 0.00 0.00 19.45 19.17 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 -3.09 2.11 0.00 0.00 1.43 -0.77 -5.00 118.68 113.35 1ab7 s LEU 26 Ca 0.03 1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1ab7 s LEU 26 Cb -0.00 -3.67 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1ab7 s LEU 26 CO 0.16 -2.64 0.45 -0.81 0.23 0.00 0.00 176.35 173.75 1ab7 n PRO 27 N -3.86 -1.09 0.14 1.29 -0.04 -1.26 -4.96 135.00 125.22 1ab7 n PRO 27 Ca 0.06 -0.71 -0.24 0.00 -0.04 0.00 0.00 63.50 62.57 1ab7 n PRO 27 Cb 0.57 -0.56 -0.16 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.52 0.00 0.54 4.81 -2.01 -3.22 114.58 115.21 1ab7 h GLU 28 Ca -0.16 -0.89 0.00 0.00 -0.13 0.00 0.00 59.36 58.19 1ab7 h GLU 28 Cb 0.45 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1ab7 h GLU 28 CO 0.11 1.42 0.00 2.48 -0.73 0.00 0.00 179.01 182.29 1ab7 n TYR 29 N -3.70 0.00 -1.61 0.92 0.18 -1.26 -4.82 117.16 106.87 1ab7 n TYR 29 Ca -0.17 0.00 -0.63 0.00 1.88 0.00 0.00 57.90 58.98 1ab7 n TYR 29 Cb 1.10 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 39.85 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 -1.12 1.40 0.28 -3.48 9.36 -1.22 -4.75 117.16 117.63 1ab7 n TYR 30 Ca 0.10 1.08 0.03 0.00 3.32 0.00 0.00 57.90 62.42 1ab7 n TYR 30 Cb 0.08 -2.09 0.15 0.00 -0.63 0.00 0.00 39.34 36.85 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 3.19 2.07 3.88 2.98 0.00 -1.26 -4.88 105.19 111.17 1ab7 n GLY 31 Ca 0.27 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1ab7 n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ab7 n GLU 32 N 0.23 -0.90 -3.55 1.61 0.28 -1.26 -4.87 120.64 112.18 1ab7 n GLU 32 Ca 0.11 0.08 -0.14 0.00 -0.16 0.00 0.00 57.16 57.04 1ab7 n GLU 32 Cb 0.61 -3.00 -0.05 0.00 1.43 0.00 0.00 31.44 30.43 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ab7 n ASN 33 N -2.02 -0.18 0.09 -1.84 3.02 -1.26 -4.98 115.26 108.09 1ab7 n ASN 33 Ca -0.15 -2.50 0.13 0.00 -0.03 0.00 0.00 54.58 52.02 1ab7 n ASN 33 Cb 0.48 1.06 0.45 0.00 -0.61 0.00 0.00 39.78 41.17 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ab7 n LEU 34 N 0.00 0.63 -0.07 3.41 -0.00 -1.26 -1.22 117.00 118.49 1ab7 n LEU 34 Ca 0.04 0.59 -0.14 0.00 -0.00 0.00 0.00 56.01 56.49 1ab7 n LEU 34 Cb 0.41 -0.42 -0.12 0.00 -0.00 0.00 0.00 43.42 43.29 1ab7 n LEU 34 CO 0.22 -0.26 0.29 -2.24 -0.00 0.00 0.00 177.39 175.40 1ab7 h ASP 35 N 0.00 0.00 0.43 1.45 2.03 -1.95 -1.21 116.42 117.18 1ab7 h ASP 35 Ca 0.00 -0.92 -0.21 0.00 -0.73 0.00 0.00 57.03 55.17 1ab7 h ASP 35 Cb 0.59 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1ab7 h ASP 35 CO 0.00 1.03 -0.88 0.00 -1.03 0.00 0.00 179.24 178.35 1ab7 h ALA 36 N -0.08 0.47 0.20 4.15 0.00 -1.89 0.24 119.26 122.34 1ab7 h ALA 36 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1ab7 h ALA 36 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ab7 h ALA 36 CO -0.02 0.85 -0.10 1.25 0.00 0.00 0.00 179.25 181.23 1ab7 h LEU 37 N 0.18 -0.23 -1.06 0.00 5.85 -1.30 0.28 115.31 119.03 1ab7 h LEU 37 Ca -0.06 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1ab7 h LEU 37 Cb 1.50 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 1ab7 h LEU 37 CO 0.14 0.19 0.63 -0.25 -0.34 0.00 0.00 178.44 178.82 1ab7 h TRP 38 N -0.70 1.15 0.00 1.25 -0.00 -1.26 0.53 115.95 116.91 1ab7 h TRP 38 Ca -0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 1ab7 h TRP 38 Cb 0.49 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 1ab7 h TRP 38 CO 0.05 0.60 -0.19 -0.44 -0.00 0.00 0.00 178.44 178.45 1ab7 h ASP 39 N 1.12 0.00 0.00 2.65 5.19 -0.68 -0.87 116.42 123.84 1ab7 h ASP 39 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1ab7 h ASP 39 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1ab7 h ASP 39 CO -0.16 0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1ab7 n ALA 40 N -2.46 0.00 -0.35 3.45 0.00 0.15 -3.50 120.51 117.81 1ab7 n ALA 40 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ab7 n ALA 40 Cb 0.26 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.75 -0.48 -2.07 0.00 4.77 0.83 0.26 117.00 118.56 1ab7 n LEU 41 Ca 0.00 1.60 -0.15 0.00 -0.03 0.00 0.00 56.01 57.43 1ab7 n LEU 41 Cb 0.00 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1ab7 n LEU 41 CO 0.00 -1.48 1.49 0.35 -1.33 0.00 0.00 177.39 176.41 1ab7 n THR 42 N -5.43 2.94 0.00 -5.08 -2.24 -0.33 -4.04 114.28 100.10 1ab7 n THR 42 Ca 0.12 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 1ab7 n THR 42 Cb 0.41 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.69 0.00 0.86 3.38 0.00 0.35 -4.84 105.19 106.63 1ab7 n GLY 43 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.08 -1.69 1.61 -0.00 0.72 -4.68 117.44 112.32 1ab7 n TRP 44 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.20 1ab7 n TRP 44 Cb 0.00 0.22 0.07 0.00 -0.00 0.00 0.00 31.31 31.59 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 -1.67 3.34 -0.29 5.87 1.01 -1.06 -4.94 120.40 122.66 1ab7 s VAL 45 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ab7 s VAL 45 Cb 0.00 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1ab7 s VAL 45 CO 0.00 -0.57 -0.03 -0.70 0.00 0.00 0.00 175.10 173.80 1ab7 s GLU 46 N -5.23 2.37 0.56 2.72 2.12 -1.26 -4.94 118.70 115.05 1ab7 s GLU 46 Ca 0.59 -1.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.55 1ab7 s GLU 46 Cb -0.13 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1ab7 s GLU 46 CO 0.53 -0.60 0.91 0.71 -0.54 0.00 0.00 175.26 176.27 1ab7 s TYR 47 N 1.20 3.53 0.07 5.30 2.02 -1.26 -0.75 117.35 127.47 1ab7 s TYR 47 Ca -0.06 0.98 -0.31 0.00 -0.37 0.00 0.00 57.07 57.31 1ab7 s TYR 47 Cb -0.20 -2.57 -0.07 0.00 -0.40 0.00 0.00 41.96 38.73 1ab7 s TYR 47 CO -0.02 -0.57 1.36 -1.25 -1.57 0.00 0.00 175.55 173.50 1ab7 s PRO 48 N -4.98 4.33 0.27 -1.71 0.04 -1.26 -4.82 135.00 126.87 1ab7 s PRO 48 Ca 0.52 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1ab7 s PRO 48 Cb -0.11 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1ab7 s PRO 48 CO 0.49 -0.44 0.40 -1.17 0.04 0.00 0.00 177.00 176.32 1ab7 s LEU 49 N 1.45 4.24 -0.39 -3.56 2.96 -0.06 -3.28 118.68 120.04 1ab7 s LEU 49 Ca 0.63 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1ab7 s LEU 49 Cb -0.34 -2.94 0.11 0.00 0.50 0.00 0.00 46.19 43.53 1ab7 s LEU 49 CO 0.29 -0.14 0.14 -0.69 -1.32 0.00 0.00 176.35 174.64 1ab7 s VAL 50 N -2.06 1.91 -1.45 1.68 1.01 0.26 -0.31 120.40 121.44 1ab7 s VAL 50 Ca 0.36 -2.42 -0.08 0.00 0.00 0.00 0.00 61.98 59.84 1ab7 s VAL 50 Cb -0.09 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.94 1ab7 s VAL 50 CO 0.30 -0.71 2.57 -0.11 0.00 0.00 0.00 175.10 177.15 1ab7 n LEU 51 N 3.98 8.17 -4.57 3.92 7.94 0.78 0.70 117.00 137.93 1ab7 n LEU 51 Ca 0.04 -4.61 -0.15 0.00 -1.11 0.00 0.00 56.01 50.18 1ab7 n LEU 51 Cb 0.38 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.78 1ab7 n LEU 51 CO 0.23 1.95 1.20 -0.70 -1.11 0.00 0.00 177.39 178.96 1ab7 s GLU 52 N 0.61 1.56 -1.03 1.96 2.12 0.77 -1.54 118.70 123.16 1ab7 s GLU 52 Ca 0.59 0.18 -0.23 0.00 0.36 0.00 0.00 54.97 55.87 1ab7 s GLU 52 Cb 0.17 -4.86 0.05 0.00 0.26 0.00 0.00 34.13 29.76 1ab7 s GLU 52 CO -0.07 -4.65 1.46 -0.46 -0.54 0.00 0.00 175.26 171.00 1ab7 s TRP 53 N 15.02 2.54 0.00 5.30 -0.11 0.53 -0.90 118.94 141.32 1ab7 s TRP 53 Ca 0.88 -0.87 0.00 0.00 1.22 0.00 0.00 56.10 57.33 1ab7 s TRP 53 Cb -0.10 -4.70 0.00 0.00 -1.50 0.00 0.00 33.47 27.16 1ab7 s TRP 53 CO 0.10 -1.94 0.00 0.54 -4.62 0.00 0.00 176.95 171.03 1ab7 n ARG 54 N 8.87 0.00 -2.69 5.86 5.12 0.14 -4.31 116.66 129.66 1ab7 n ARG 54 Ca 0.34 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.83 1ab7 n ARG 54 Cb 0.51 -0.22 -0.02 0.00 -1.16 0.00 0.00 32.46 31.56 1ab7 n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ab7 s GLN 55 N 0.00 4.35 -0.00 5.56 1.11 -1.21 -4.38 119.66 125.09 1ab7 s GLN 55 Ca 0.00 1.36 0.00 0.00 0.01 0.00 0.00 55.36 56.73 1ab7 s GLN 55 Cb 0.00 -3.58 -0.00 0.00 -1.01 0.00 0.00 33.01 28.42 1ab7 s GLN 55 CO 0.00 -0.44 -0.00 0.34 0.01 0.00 0.00 175.29 175.20 1ab7 n PHE 56 N 5.52 0.00 0.28 0.91 -0.00 -1.26 -3.84 117.46 119.06 1ab7 n PHE 56 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.44 1ab7 n PHE 56 Cb 0.48 -0.02 -0.05 0.00 -0.00 0.00 0.00 39.48 39.89 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 -0.70 -0.05 -4.13 5.08 -1.91 -1.38 114.58 111.49 1ab7 h GLU 57 Ca -0.01 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ab7 h GLU 57 Cb 1.02 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1ab7 h GLU 57 CO -0.00 -0.46 -0.50 -0.56 -1.00 0.00 0.00 179.01 176.48 1ab7 h GLN 58 N -0.86 -0.57 -0.13 2.33 3.07 -1.98 0.20 115.11 117.17 1ab7 h GLN 58 Ca -0.07 0.04 0.04 0.00 0.09 0.00 0.00 58.65 58.74 1ab7 h GLN 58 Cb 0.55 0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 1ab7 h GLN 58 CO 0.12 -0.38 0.23 0.66 0.09 0.00 0.00 178.83 179.55 1ab7 h SER 59 N -0.60 0.00 1.09 0.06 4.64 -1.81 -0.02 113.55 116.91 1ab7 h SER 59 Ca 0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1ab7 h SER 59 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1ab7 h SER 59 CO -0.36 0.00 -0.96 0.50 -0.87 0.00 0.00 176.83 175.14 1ab7 h LYS 60 N 0.00 0.00 0.02 4.77 3.11 0.48 -3.37 116.57 121.58 1ab7 h LYS 60 Ca 0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1ab7 h LYS 60 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1ab7 h LYS 60 CO -0.00 0.44 -0.01 1.96 -2.81 0.00 0.00 179.45 179.03 1ab7 h GLN 61 N 0.00 -0.03 -1.11 1.90 4.20 0.10 -3.31 115.11 116.87 1ab7 h GLN 61 Ca -0.08 0.00 0.32 0.00 0.06 0.00 0.00 58.65 58.96 1ab7 h GLN 61 Cb 1.51 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 1ab7 h GLN 61 CO 0.06 -0.02 1.17 1.47 -0.67 0.00 0.00 178.83 180.84 1ab7 n LEU 62 N -3.54 0.00 0.00 1.46 -0.00 -1.11 -4.24 117.00 109.57 1ab7 n LEU 62 Ca -0.00 0.74 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1ab7 n LEU 62 Cb 0.01 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1ab7 n LEU 62 CO 0.01 -0.74 0.00 1.07 -0.00 0.00 0.00 177.39 177.73 1ab7 n THR 63 N -3.21 0.00 -2.98 1.47 5.66 -1.25 -4.95 114.28 109.02 1ab7 n THR 63 Ca 0.25 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.22 1ab7 n THR 63 Cb 1.50 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.28 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 4.52 0.96 0.00 1.09 1.03 -1.26 -4.88 118.70 120.15 1ab7 s GLU 64 Ca 0.00 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.21 1ab7 s GLU 64 Cb 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 34.13 33.26 1ab7 s GLU 64 CO 0.00 -1.27 0.00 -1.71 -1.33 0.00 0.00 175.26 170.95 1ab7 n ASN 65 N 3.55 0.00 0.02 0.83 5.15 -1.26 -4.91 115.26 118.64 1ab7 n ASN 65 Ca 0.15 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.12 1ab7 n ASN 65 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1ab7 h GLY 66 N 0.00 -0.89 0.99 8.20 0.00 -1.90 0.40 103.07 109.86 1ab7 h GLY 66 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ab7 h GLY 66 CO 0.00 -0.33 0.29 0.00 0.00 0.00 0.00 176.54 176.49 1ab7 h ALA 67 N -1.61 0.61 0.00 3.60 0.00 -1.88 -0.68 119.26 119.29 1ab7 h ALA 67 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ab7 h ALA 67 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ab7 h ALA 67 CO -0.01 0.10 0.16 1.49 0.00 0.00 0.00 179.25 180.99 1ab7 h GLU 68 N 0.64 0.00 0.00 0.00 4.81 -1.87 -0.87 114.58 117.28 1ab7 h GLU 68 Ca 0.17 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1ab7 h GLU 68 Cb -0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ab7 h GLU 68 CO -0.03 0.00 -0.42 0.77 -0.73 0.00 0.00 179.01 178.59 1ab7 h SER 69 N 0.00 0.00 -0.46 1.04 0.02 0.14 -0.22 113.55 114.06 1ab7 h SER 69 Ca 0.00 -0.21 0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1ab7 h SER 69 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1ab7 h SER 69 CO 0.00 0.83 0.47 0.58 -1.14 0.00 0.00 176.83 177.57 1ab7 h VAL 70 N -1.00 0.40 0.21 2.27 2.07 -1.13 0.38 116.25 119.44 1ab7 h VAL 70 Ca -0.06 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.15 1ab7 h VAL 70 Cb 0.55 0.63 0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1ab7 h VAL 70 CO -0.04 0.00 -1.42 0.25 0.02 0.00 0.00 177.57 176.39 1ab7 h LEU 71 N 0.00 0.71 -2.08 2.57 5.85 -1.23 -0.13 115.31 120.99 1ab7 h LEU 71 Ca 0.22 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 58.08 1ab7 h LEU 71 Cb 1.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ab7 h LEU 71 CO -0.00 1.67 0.18 1.56 -0.34 0.00 0.00 178.44 181.51 1ab7 h GLN 72 N 0.01 0.00 0.03 1.25 4.20 0.16 0.16 115.11 120.92 1ab7 h GLN 72 Ca -0.26 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.30 1ab7 h GLN 72 Cb 2.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 1ab7 h GLN 72 CO 0.22 0.00 -0.79 0.28 -0.67 0.00 0.00 178.83 177.87 1ab7 h VAL 73 N 0.00 1.29 0.00 -0.54 2.07 -1.19 -0.42 116.25 117.46 1ab7 h VAL 73 Ca 0.11 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.36 1ab7 h VAL 73 Cb 0.47 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 1ab7 h VAL 73 CO -0.00 0.51 -0.39 -0.26 0.02 0.00 0.00 177.57 177.45 1ab7 h PHE 74 N -0.85 -1.09 -0.72 1.57 0.04 -0.54 0.17 116.94 115.51 1ab7 h PHE 74 Ca -0.20 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.61 1ab7 h PHE 74 Cb 1.28 0.48 -0.04 0.00 2.20 0.00 0.00 35.95 39.88 1ab7 h PHE 74 CO 0.18 -0.47 0.48 0.00 -0.60 0.00 0.00 178.31 177.89 1ab7 h ARG 75 N -0.54 0.95 -0.37 1.51 3.08 -1.13 -0.14 114.38 117.73 1ab7 h ARG 75 Ca 0.05 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1ab7 h ARG 75 Cb 0.63 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ab7 h ARG 75 CO -0.30 0.63 0.34 0.93 -1.07 0.00 0.00 179.97 180.50 1ab7 h GLU 76 N 0.98 0.00 0.00 0.04 5.08 0.75 0.33 114.58 121.76 1ab7 h GLU 76 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ab7 h GLU 76 Cb -0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ab7 h GLU 76 CO -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.89 1ab7 h ALA 77 N 1.68 0.01 0.00 3.43 0.00 0.10 -1.49 119.26 122.99 1ab7 h ALA 77 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ab7 h ALA 77 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ab7 h ALA 77 CO -0.00 0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.65 1ab7 n LYS 78 N -4.65 0.04 -0.01 0.00 -0.00 -0.64 0.16 118.16 113.06 1ab7 n LYS 78 Ca -0.08 0.45 -0.01 0.00 -0.00 0.00 0.00 58.31 58.68 1ab7 n LYS 78 Cb 0.36 -1.60 -0.00 0.00 -0.00 0.00 0.00 35.03 33.79 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 -1.57 0.05 0.03 0.58 0.00 0.11 -4.58 120.51 115.13 1ab7 n ALA 79 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1ab7 n ALA 79 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.10 -0.54 0.00 0.00 4.39 -1.24 -3.44 114.58 113.65 1ab7 h GLU 80 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ab7 h GLU 80 Cb 0.06 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ab7 h GLU 80 CO 0.00 -0.36 0.00 0.41 -1.16 0.00 0.00 179.01 177.90 1ab7 n GLY 81 N -1.45 0.09 3.06 -3.84 0.00 -0.73 -5.09 105.19 97.22 1ab7 n GLY 81 Ca -0.05 -0.05 -0.37 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 -0.68 -3.07 -2.48 4.61 0.00 0.43 -4.83 120.51 114.50 1ab7 n ALA 82 Ca 0.00 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 1ab7 n ALA 82 Cb 0.00 -1.32 0.01 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 2.40 6.50 -4.93 0.00 9.92 -1.26 -3.71 116.55 125.46 1ab7 n ASP 83 Ca 0.07 -3.74 -0.27 0.00 -0.53 0.00 0.00 54.79 50.32 1ab7 n ASP 83 Cb 0.45 -0.93 -0.03 0.00 -0.64 0.00 0.00 41.12 39.96 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 -4.73 5.32 -0.59 0.53 1.01 -1.26 -0.88 121.20 120.60 1ab7 s ILE 84 Ca 0.46 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 1ab7 s ILE 84 Cb 0.30 -3.70 0.15 0.00 0.01 0.00 0.00 42.46 39.22 1ab7 s ILE 84 CO -0.22 -0.04 0.44 -0.89 0.00 0.00 0.00 174.94 174.23 1ab7 s THR 85 N -1.69 4.15 -0.63 2.92 2.01 0.58 -4.63 115.64 118.35 1ab7 s THR 85 Ca 0.35 -2.41 -0.28 0.00 0.31 0.00 0.00 61.69 59.66 1ab7 s THR 85 Cb -0.11 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.72 1ab7 s THR 85 CO 0.28 -0.85 1.28 -0.63 -0.69 0.00 0.00 174.62 174.01 1ab7 s ILE 86 N 0.56 3.86 -0.25 1.82 1.09 -1.26 -0.15 121.20 126.86 1ab7 s ILE 86 Ca 0.13 0.68 -0.12 0.00 -1.10 0.00 0.00 60.65 60.24 1ab7 s ILE 86 Cb -0.21 -4.71 -0.05 0.00 -1.06 0.00 0.00 42.46 36.43 1ab7 s ILE 86 CO -0.04 -1.46 0.23 -0.63 -0.10 0.00 0.00 174.94 172.94 1ab7 s ILE 87 N 5.53 5.30 0.43 2.92 1.01 -0.59 -4.94 121.20 130.86 1ab7 s ILE 87 Ca 0.43 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1ab7 s ILE 87 Cb -0.08 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1ab7 s ILE 87 CO 0.22 0.29 0.04 -0.76 0.00 0.00 0.00 174.94 174.72 1ab7 s LEU 88 N 1.38 2.37 0.00 2.97 1.43 -1.26 -0.35 118.68 125.23 1ab7 s LEU 88 Ca 0.10 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 1ab7 s LEU 88 Cb -0.15 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1ab7 s LEU 88 CO 0.07 -0.71 0.00 -1.54 0.23 0.00 0.00 176.35 174.40