#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nz4 n PRO 8 N 0.00 0.28 -3.80 2.89 -0.02 -1.26 -4.80 135.00 128.29 2nz4 n PRO 8 Ca 0.00 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 2nz4 n PRO 8 Cb 0.00 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2nz4 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nz4 s ASN 9 N -1.50 -0.01 0.22 2.55 3.84 -1.26 -4.99 114.94 113.80 2nz4 s ASN 9 Ca 0.65 -0.58 -0.06 0.00 0.21 0.00 0.00 52.86 53.09 2nz4 s ASN 9 Cb -0.34 0.40 0.21 0.00 -0.55 0.00 0.00 41.25 40.96 2nz4 s ASN 9 CO 0.58 -0.80 1.74 0.45 -2.79 0.00 0.00 177.10 176.28 2nz4 h HIS 10 N 2.58 1.07 -3.34 0.43 3.86 -1.90 -3.42 115.15 114.44 2nz4 h HIS 10 Ca -0.33 -0.13 -0.58 0.00 -1.16 0.00 0.00 60.37 58.16 2nz4 h HIS 10 Cb 1.22 -0.30 -0.09 0.00 1.06 0.00 0.00 27.41 29.30 2nz4 h HIS 10 CO 0.39 0.90 -0.21 0.99 0.86 0.00 0.00 177.93 180.86 2nz4 s THR 11 N -5.20 5.23 -0.13 2.45 2.01 -1.26 -0.78 115.64 117.96 2nz4 s THR 11 Ca -0.11 0.79 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 2nz4 s THR 11 Cb 0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2nz4 s THR 11 CO 0.83 0.33 0.15 0.27 -0.69 0.00 0.00 174.62 175.52 2nz4 s ILE 12 N 0.68 5.46 -0.25 1.82 -4.36 -0.39 -1.94 121.20 122.22 2nz4 s ILE 12 Ca 0.22 0.24 -0.15 0.00 -0.26 0.00 0.00 60.65 60.70 2nz4 s ILE 12 Cb -0.14 -3.43 -0.04 0.00 1.25 0.00 0.00 42.46 40.10 2nz4 s ILE 12 CO 0.08 0.58 0.39 -0.47 0.24 0.00 0.00 174.94 175.76 2nz4 s TYR 13 N -0.75 3.28 -0.14 1.37 5.04 0.32 -1.99 117.35 124.48 2nz4 s TYR 13 Ca 0.14 0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 2nz4 s TYR 13 Cb -0.12 -2.58 -0.02 0.00 0.35 0.00 0.00 41.96 39.59 2nz4 s TYR 13 CO 0.03 -0.19 -0.09 0.42 -1.34 0.00 0.00 175.55 174.39 2nz4 s ILE 14 N 1.93 3.42 0.00 3.14 1.01 0.76 -0.03 121.20 131.43 2nz4 s ILE 14 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2nz4 s ILE 14 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.85 2nz4 s ILE 14 CO 0.09 0.51 0.00 -0.46 0.00 0.00 0.00 174.94 175.09 2nz4 n ASN 15 N 3.47 0.78 -1.78 3.58 6.94 -0.63 0.82 115.26 128.45 2nz4 n ASN 15 Ca -0.18 -0.84 -0.20 0.00 -0.02 0.00 0.00 54.58 53.34 2nz4 n ASN 15 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 2nz4 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2nz4 n ASN 16 N -1.86 -5.56 -4.82 0.53 5.15 -1.09 -2.13 115.26 105.48 2nz4 n ASN 16 Ca 0.00 0.36 -0.33 0.00 -0.60 0.00 0.00 54.58 54.01 2nz4 n ASN 16 Cb 0.00 -4.78 -0.07 0.00 -0.53 0.00 0.00 39.78 34.40 2nz4 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nz4 s LEU 17 N -5.00 4.00 -0.12 1.20 1.43 -0.69 -4.65 118.68 114.86 2nz4 s LEU 17 Ca 0.00 1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 2nz4 s LEU 17 Cb 0.00 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 2nz4 s LEU 17 CO 0.00 -0.31 1.83 0.21 0.23 0.00 0.00 176.35 178.31 2nz4 s ASN 18 N -2.12 6.28 0.00 2.29 3.84 -1.26 -4.47 114.94 119.49 2nz4 s ASN 18 Ca 0.60 2.06 0.23 0.00 0.21 0.00 0.00 52.86 55.95 2nz4 s ASN 18 Cb -0.10 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.17 2nz4 s ASN 18 CO 0.15 -1.28 1.75 -0.62 -2.79 0.00 0.00 177.10 174.31 2nz4 n GLU 19 N 7.74 0.22 0.01 0.43 1.02 -1.26 -2.75 120.64 126.05 2nz4 n GLU 19 Ca 0.21 0.08 0.14 0.00 -0.02 0.00 0.00 57.16 57.57 2nz4 n GLU 19 Cb 0.44 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.88 2nz4 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nz4 n LYS 20 N -1.36 0.03 -2.87 3.49 5.02 -1.26 -4.82 118.16 116.39 2nz4 n LYS 20 Ca 0.09 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 2nz4 n LYS 20 Cb 0.21 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 2nz4 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nz4 s ILE 21 N -3.01 4.64 0.66 -0.18 -1.09 -1.11 -5.05 121.20 116.06 2nz4 s ILE 21 Ca 0.13 1.82 -0.10 0.00 -2.23 0.00 0.00 60.65 60.27 2nz4 s ILE 21 Cb 0.18 -4.21 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2nz4 s ILE 21 CO 0.57 0.34 1.04 -1.59 -1.23 0.00 0.00 174.94 174.07 2nz4 s LYS 22 N -0.01 3.08 0.12 2.79 -2.85 -1.26 -4.81 119.74 116.80 2nz4 s LYS 22 Ca 0.42 0.46 -0.27 0.00 -1.00 0.00 0.00 55.97 55.58 2nz4 s LYS 22 Cb -0.22 -2.09 -0.07 0.00 -2.06 0.00 0.00 37.83 33.40 2nz4 s LYS 22 CO 0.26 -0.84 1.64 -0.22 0.10 0.00 0.00 175.35 176.29 2nz4 h LYS 23 N -0.47 -0.43 -0.17 1.78 3.64 -1.96 -0.92 116.57 118.03 2nz4 h LYS 23 Ca -0.45 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.00 2nz4 h LYS 23 Cb 1.24 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 2nz4 h LYS 23 CO 0.63 -0.29 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.01 2nz4 h ASP 24 N -0.45 -0.24 0.01 4.20 5.19 -1.97 -1.35 116.42 121.81 2nz4 h ASP 24 Ca 0.04 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2nz4 h ASP 24 Cb 0.50 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2nz4 h ASP 24 CO -0.18 -0.10 -0.01 -0.08 -3.12 0.00 0.00 179.24 175.75 2nz4 h GLU 25 N -0.05 -0.02 -0.58 3.56 4.81 -1.88 -2.39 114.58 118.04 2nz4 h GLU 25 Ca 0.09 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2nz4 h GLU 25 Cb 0.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2nz4 h GLU 25 CO -0.20 0.28 0.35 1.25 -0.73 0.00 0.00 179.01 179.96 2nz4 h LEU 26 N -0.31 0.58 -0.25 1.64 5.85 -1.09 -0.36 115.31 121.36 2nz4 h LEU 26 Ca -0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2nz4 h LEU 26 Cb 0.30 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2nz4 h LEU 26 CO 0.00 0.41 -0.34 0.11 -0.34 0.00 0.00 178.44 178.28 2nz4 h LYS 27 N 0.70 -0.23 -0.15 1.25 1.57 -1.18 0.11 116.57 118.63 2nz4 h LYS 27 Ca 0.23 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2nz4 h LYS 27 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2nz4 h LYS 27 CO -0.10 -0.16 0.08 0.87 -0.57 0.00 0.00 179.45 179.57 2nz4 h LYS 28 N -0.24 0.16 -0.66 3.15 1.57 -0.88 -0.49 116.57 119.18 2nz4 h LYS 28 Ca 0.04 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2nz4 h LYS 28 Cb 0.36 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 2nz4 h LYS 28 CO -0.37 0.11 0.25 0.77 -0.57 0.00 0.00 179.45 179.64 2nz4 h SER 29 N 0.17 0.24 -0.85 0.86 0.02 -0.99 0.33 113.55 113.33 2nz4 h SER 29 Ca 0.06 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2nz4 h SER 29 Cb 0.01 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2nz4 h SER 29 CO -0.04 0.13 0.56 -0.07 -1.14 0.00 0.00 176.83 176.27 2nz4 h LEU 30 N 0.43 0.97 -0.65 5.07 3.38 -0.19 -2.22 115.31 122.10 2nz4 h LEU 30 Ca 0.34 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 2nz4 h LEU 30 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2nz4 h LEU 30 CO -0.34 0.70 0.13 -0.74 0.09 0.00 0.00 178.44 178.28 2nz4 h HIS 31 N 1.15 1.11 -0.88 1.13 2.76 0.58 -0.94 115.15 120.05 2nz4 h HIS 31 Ca 0.31 -0.15 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 2nz4 h HIS 31 Cb -0.12 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.47 2nz4 h HIS 31 CO -0.01 0.93 0.57 0.00 -1.30 0.00 0.00 177.93 178.12 2nz4 h ALA 32 N 1.05 1.61 0.04 5.26 0.00 -0.08 -2.04 119.26 125.09 2nz4 h ALA 32 Ca 0.20 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.80 2nz4 h ALA 32 Cb 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2nz4 h ALA 32 CO 0.01 0.22 -1.68 0.97 0.00 0.00 0.00 179.25 178.78 2nz4 h ILE 33 N 0.91 0.92 -0.00 0.00 2.10 -1.06 -3.40 117.51 116.97 2nz4 h ILE 33 Ca 0.40 -2.71 0.00 0.00 1.08 0.00 0.00 64.86 63.63 2nz4 h ILE 33 Cb 0.35 2.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 2nz4 h ILE 33 CO -0.16 0.64 -0.38 0.49 -1.08 0.00 0.00 178.15 177.65 2nz4 n PHE 34 N -3.19 0.00 0.60 2.19 3.72 -0.39 -4.57 117.46 115.82 2nz4 n PHE 34 Ca -0.18 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.32 2nz4 n PHE 34 Cb 1.04 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 40.00 2nz4 n PHE 34 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2nz4 n SER 35 N -0.81 0.18 0.23 4.37 3.41 -0.78 -2.84 113.62 117.38 2nz4 n SER 35 Ca 0.03 0.53 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 2nz4 n SER 35 Cb 0.19 -0.58 0.52 0.00 -0.26 0.00 0.00 64.21 64.09 2nz4 n SER 35 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2nz4 h ARG 36 N 0.00 0.00 0.00 4.33 0.11 -1.85 -3.16 114.38 113.81 2nz4 h ARG 36 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2nz4 h ARG 36 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2nz4 h ARG 36 CO 0.00 0.00 -0.48 0.74 0.10 0.00 0.00 179.97 180.33 2nz4 h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.87 -3.49 116.94 115.70 2nz4 h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2nz4 h PHE 37 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2nz4 h PHE 37 CO 0.00 0.40 0.00 0.41 -0.60 0.00 0.00 178.31 178.52 2nz4 n GLY 38 N 1.21 -1.48 3.67 -1.45 0.00 -1.19 -4.52 105.19 101.43 2nz4 n GLY 38 Ca 0.02 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2nz4 n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2nz4 s GLN 39 N -1.92 4.23 -0.30 1.61 0.74 -1.26 -4.64 119.66 118.12 2nz4 s GLN 39 Ca 0.00 1.91 -0.17 0.00 0.05 0.00 0.00 55.36 57.15 2nz4 s GLN 39 Cb 0.00 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 2nz4 s GLN 39 CO 0.00 -0.72 0.46 0.42 -0.55 0.00 0.00 175.29 174.90 2nz4 s ILE 40 N 3.42 5.09 -0.03 -2.34 1.01 -1.26 -1.10 121.20 125.99 2nz4 s ILE 40 Ca 0.63 0.55 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 2nz4 s ILE 40 Cb -0.28 -3.84 -0.23 0.00 0.01 0.00 0.00 42.46 38.12 2nz4 s ILE 40 CO 0.22 -0.01 1.06 -0.07 0.00 0.00 0.00 174.94 176.14 2nz4 h LEU 41 N 8.84 0.34 -7.18 2.97 3.38 -0.88 -3.47 115.31 119.31 2nz4 h LEU 41 Ca -0.29 -0.76 -0.05 0.00 0.09 0.00 0.00 57.88 56.86 2nz4 h LEU 41 Cb 1.14 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 2nz4 h LEU 41 CO 0.71 1.06 0.06 -0.62 0.09 0.00 0.00 178.44 179.74 2nz4 s ASP 42 N -6.47 -0.45 -0.12 -0.43 -1.08 -1.25 -5.05 116.67 101.83 2nz4 s ASP 42 Ca -0.15 0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 2nz4 s ASP 42 Cb 0.02 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 41.99 2nz4 s ASP 42 CO 0.77 -0.77 -0.22 -0.63 0.52 0.00 0.00 175.17 174.84 2nz4 s ILE 43 N -2.73 2.16 -0.15 4.11 1.01 -1.26 -1.74 121.20 122.60 2nz4 s ILE 43 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2nz4 s ILE 43 Cb -0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2nz4 s ILE 43 CO -0.04 0.55 -0.06 -0.76 0.00 0.00 0.00 174.94 174.64 2nz4 s LEU 44 N 0.51 3.15 -0.13 2.97 1.02 0.03 -4.97 118.68 121.25 2nz4 s LEU 44 Ca -0.14 -0.16 -0.09 0.00 0.02 0.00 0.00 54.13 53.76 2nz4 s LEU 44 Cb -0.17 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.33 2nz4 s LEU 44 CO 0.05 0.17 0.32 -0.69 0.02 0.00 0.00 176.35 176.23 2nz4 s VAL 45 N 0.33 -0.02 -0.05 -1.59 1.01 -1.26 -1.58 120.40 117.25 2nz4 s VAL 45 Ca -0.05 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2nz4 s VAL 45 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2nz4 s VAL 45 CO 0.03 0.03 0.18 -0.55 0.00 0.00 0.00 175.10 174.80 2nz4 s SER 46 N 0.83 -0.13 -0.51 3.32 0.15 -1.26 -5.00 113.70 111.10 2nz4 s SER 46 Ca -0.05 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.80 2nz4 s SER 46 Cb -0.06 0.33 0.51 0.00 -1.71 0.00 0.00 66.02 65.09 2nz4 s SER 46 CO -0.06 -0.18 1.80 0.54 1.20 0.00 0.00 173.24 176.54 2nz4 n ARG 47 N 2.40 2.60 -2.05 5.44 1.74 -1.26 -3.21 116.66 122.32 2nz4 n ARG 47 Ca -0.16 -3.34 -0.28 0.00 -0.77 0.00 0.00 57.85 53.30 2nz4 n ARG 47 Cb 0.58 -2.19 0.09 0.00 -1.02 0.00 0.00 32.46 29.91 2nz4 n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2nz4 s SER 48 N -2.07 4.49 0.17 0.55 1.04 -1.26 -4.70 113.70 111.92 2nz4 s SER 48 Ca 0.58 0.56 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 2nz4 s SER 48 Cb 0.47 -1.07 0.11 0.00 0.10 0.00 0.00 66.02 65.63 2nz4 s SER 48 CO 0.03 -1.86 1.78 0.25 0.98 0.00 0.00 173.24 174.42 2nz4 h LEU 49 N -0.91 0.33 0.74 2.42 5.85 -1.97 0.50 115.31 122.28 2nz4 h LEU 49 Ca -0.45 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 2nz4 h LEU 49 Cb 1.31 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.32 2nz4 h LEU 49 CO 0.60 0.23 -0.36 0.11 -0.34 0.00 0.00 178.44 178.69 2nz4 h LYS 50 N 0.46 -0.96 -0.00 1.25 1.79 -1.97 -3.38 116.57 113.75 2nz4 h LYS 50 Ca 0.20 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2nz4 h LYS 50 Cb 0.12 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2nz4 h LYS 50 CO -0.15 -0.63 -0.31 -1.33 -1.08 0.00 0.00 179.45 175.95 2nz4 n MET 51 N -5.44 0.48 -1.89 3.15 2.81 -1.11 -4.95 117.12 110.17 2nz4 n MET 51 Ca -0.13 -0.26 -0.37 0.00 -1.81 0.00 0.00 57.70 55.14 2nz4 n MET 51 Cb 0.40 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.46 2nz4 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2nz4 s ARG 52 N -2.70 2.82 -0.37 0.03 1.70 0.15 -3.02 118.95 117.56 2nz4 s ARG 52 Ca 0.20 1.96 0.00 0.00 -0.47 0.00 0.00 55.73 57.42 2nz4 s ARG 52 Cb 0.19 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.64 2nz4 s ARG 52 CO 0.58 -1.36 0.00 0.41 -1.08 0.00 0.00 175.30 173.85 2nz4 n GLY 53 N 0.70 0.65 3.00 3.88 0.00 -1.26 -4.99 105.19 107.16 2nz4 n GLY 53 Ca 0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 2nz4 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nz4 s GLN 54 N -1.82 0.36 0.01 1.61 -0.21 -1.17 -1.70 119.66 116.75 2nz4 s GLN 54 Ca 0.00 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 2nz4 s GLN 54 Cb 0.00 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.99 2nz4 s GLN 54 CO 0.00 -0.01 0.28 0.00 -2.12 0.00 0.00 175.29 173.43 2nz4 s ALA 55 N -1.30 -0.66 -0.23 6.09 0.00 0.24 -4.49 121.76 121.41 2nz4 s ALA 55 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2nz4 s ALA 55 Cb -0.09 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2nz4 s ALA 55 CO -0.00 -0.31 -0.11 -0.06 0.00 0.00 0.00 175.76 175.27 2nz4 s PHE 56 N -1.81 3.03 -0.25 0.00 0.40 -0.62 -0.17 117.98 118.56 2nz4 s PHE 56 Ca -0.10 -1.76 -0.08 0.00 -0.60 0.00 0.00 56.93 54.39 2nz4 s PHE 56 Cb -0.04 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 2nz4 s PHE 56 CO 0.01 -0.79 0.09 0.08 0.70 0.00 0.00 175.22 175.31 2nz4 s VAL 57 N 1.26 4.46 -0.49 -0.44 1.01 -0.84 -0.79 120.40 124.57 2nz4 s VAL 57 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2nz4 s VAL 57 Cb -0.16 -3.09 0.11 0.00 0.00 0.00 0.00 36.38 33.24 2nz4 s VAL 57 CO -0.07 0.33 0.39 -0.63 0.00 0.00 0.00 175.10 175.12 2nz4 s ILE 58 N 1.58 4.61 0.34 2.22 1.01 -0.71 -1.26 121.20 128.99 2nz4 s ILE 58 Ca 0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 60.65 58.93 2nz4 s ILE 58 Cb -0.15 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2nz4 s ILE 58 CO 0.05 -0.76 0.84 -0.36 0.00 0.00 0.00 174.94 174.71 2nz4 s PHE 59 N 1.47 3.44 0.13 3.97 0.08 0.04 -0.16 117.98 126.95 2nz4 s PHE 59 Ca 0.04 1.46 -0.13 0.00 0.12 0.00 0.00 56.93 58.42 2nz4 s PHE 59 Cb -0.27 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 2nz4 s PHE 59 CO 0.01 0.08 1.52 -0.22 -0.10 0.00 0.00 175.22 176.51 2nz4 h LYS 60 N 2.43 0.82 -5.69 0.44 3.11 -1.41 -3.43 116.57 112.83 2nz4 h LYS 60 Ca -0.48 -0.34 -0.66 0.00 -2.81 0.00 0.00 60.65 56.36 2nz4 h LYS 60 Cb 1.18 -0.03 -0.22 0.00 -1.00 0.00 0.00 32.23 32.16 2nz4 h LYS 60 CO 0.64 0.97 -0.70 -1.21 -2.81 0.00 0.00 179.45 176.33 2nz4 s GLU 61 N -4.71 3.19 0.28 1.90 0.41 -1.26 -5.01 118.70 113.50 2nz4 s GLU 61 Ca -0.12 -0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 53.84 2nz4 s GLU 61 Cb 0.10 -2.70 0.37 0.00 -1.78 0.00 0.00 34.13 30.13 2nz4 s GLU 61 CO 0.83 0.43 1.87 0.28 -0.49 0.00 0.00 175.26 178.18 2nz4 h VAL 62 N 4.80 1.23 -0.97 2.63 2.07 -1.85 -2.39 116.25 121.76 2nz4 h VAL 62 Ca -0.38 -0.65 0.18 0.00 0.82 0.00 0.00 66.70 66.67 2nz4 h VAL 62 Cb 1.19 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 2nz4 h VAL 62 CO 0.57 0.27 0.61 0.77 0.02 0.00 0.00 177.57 179.81 2nz4 h SER 63 N 0.99 0.71 -0.23 0.57 4.64 -1.95 -0.19 113.55 118.09 2nz4 h SER 63 Ca 0.24 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 2nz4 h SER 63 Cb 0.12 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2nz4 h SER 63 CO -0.03 0.30 -0.00 0.28 -0.87 0.00 0.00 176.83 176.50 2nz4 h SER 64 N 0.71 0.41 -0.92 4.97 0.02 -1.66 -2.57 113.55 114.51 2nz4 h SER 64 Ca 0.53 -0.31 0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2nz4 h SER 64 Cb 0.87 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 2nz4 h SER 64 CO -0.29 0.62 0.55 0.00 -1.14 0.00 0.00 176.83 176.57 2nz4 h ALA 65 N 0.80 1.34 -0.14 3.77 0.00 -1.01 -0.29 119.26 123.74 2nz4 h ALA 65 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nz4 h ALA 65 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2nz4 h ALA 65 CO 0.01 0.16 0.03 1.15 0.00 0.00 0.00 179.25 180.61 2nz4 h THR 66 N 0.90 1.21 -0.22 0.00 2.02 -0.96 -0.89 112.91 114.97 2nz4 h THR 66 Ca 0.45 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2nz4 h THR 66 Cb 0.42 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2nz4 h THR 66 CO -0.26 0.20 -0.12 0.78 0.37 0.00 0.00 175.52 176.49 2nz4 h ASN 67 N 0.02 0.34 0.83 4.18 2.35 -1.24 -0.89 115.58 121.16 2nz4 h ASN 67 Ca 0.04 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2nz4 h ASN 67 Cb 0.28 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.56 2nz4 h ASN 67 CO 0.00 0.50 -0.42 0.00 -1.65 0.00 0.00 177.43 175.86 2nz4 h ALA 68 N 1.54 -1.30 -0.47 -0.83 0.00 -0.68 0.30 119.26 117.83 2nz4 h ALA 68 Ca 0.07 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2nz4 h ALA 68 Cb 0.43 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 2nz4 h ALA 68 CO 0.02 -1.22 -0.01 1.25 0.00 0.00 0.00 179.25 179.29 2nz4 h LEU 69 N -1.14 -0.23 0.18 0.00 6.46 -1.10 0.09 115.31 119.58 2nz4 h LEU 69 Ca -0.11 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2nz4 h LEU 69 Cb 0.88 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 2nz4 h LEU 69 CO 0.18 -0.08 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.58 2nz4 h ARG 70 N 0.10 -0.48 0.01 1.25 2.43 -1.13 -2.62 114.38 113.94 2nz4 h ARG 70 Ca 0.23 0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.21 2nz4 h ARG 70 Cb 0.35 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2nz4 h ARG 70 CO -0.40 -0.32 -1.08 0.77 -1.51 0.00 0.00 179.97 177.43 2nz4 h SER 71 N -0.50 0.05 -0.32 -3.80 0.02 -0.44 -3.30 113.55 105.27 2nz4 h SER 71 Ca 0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2nz4 h SER 71 Cb 0.49 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2nz4 h SER 71 CO -0.10 1.04 0.00 0.23 -1.14 0.00 0.00 176.83 176.86 2nz4 n MET 72 N -3.35 2.33 -1.68 3.45 2.81 -0.03 -4.94 117.12 115.71 2nz4 n MET 72 Ca -0.02 -2.14 -0.46 0.00 -1.81 0.00 0.00 57.70 53.28 2nz4 n MET 72 Cb 0.96 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.97 2nz4 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2nz4 n GLN 73 N 1.32 2.30 -1.12 0.03 -0.06 -0.99 -1.82 117.38 117.05 2nz4 n GLN 73 Ca 0.17 0.83 -0.04 0.00 -2.00 0.00 0.00 57.00 55.96 2nz4 n GLN 73 Cb 0.56 -2.64 -0.02 0.00 -4.06 0.00 0.00 30.24 24.09 2nz4 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2nz4 n GLY 74 N 3.73 0.63 3.69 1.69 0.00 -0.24 -4.98 105.19 109.71 2nz4 n GLY 74 Ca 0.18 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2nz4 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nz4 s PHE 75 N -1.88 3.26 0.10 1.61 5.36 -0.76 -4.39 117.98 121.28 2nz4 s PHE 75 Ca 0.00 1.27 -0.31 0.00 -0.96 0.00 0.00 56.93 56.93 2nz4 s PHE 75 Cb 0.00 -3.40 -0.09 0.00 -0.34 0.00 0.00 43.02 39.19 2nz4 s PHE 75 CO 0.00 -1.20 1.63 -2.14 -1.46 0.00 0.00 175.22 172.05 2nz4 s PRO 76 N 2.00 4.20 -0.11 10.12 0.02 -1.26 -2.19 135.00 147.77 2nz4 s PRO 76 Ca 0.56 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.88 2nz4 s PRO 76 Cb -0.25 -3.46 0.06 0.00 0.02 0.00 0.00 34.50 30.87 2nz4 s PRO 76 CO 0.23 -0.69 0.23 0.12 -0.33 0.00 0.00 177.00 176.55 2nz4 s PHE 77 N 2.17 -0.34 -1.44 6.54 5.36 -0.79 -4.79 117.98 124.68 2nz4 s PHE 77 Ca 0.73 0.85 -0.05 0.00 -0.96 0.00 0.00 56.93 57.50 2nz4 s PHE 77 Cb -0.41 -0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.19 2nz4 s PHE 77 CO 0.32 -0.33 0.62 0.66 -1.46 0.00 0.00 175.22 175.03 2nz4 n TYR 78 N 5.34 -1.82 -0.27 10.12 4.01 -1.26 -1.85 117.16 131.43 2nz4 n TYR 78 Ca -0.06 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 2nz4 n TYR 78 Cb 0.50 -3.83 0.00 0.00 -0.31 0.00 0.00 39.34 35.70 2nz4 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2nz4 n ASP 79 N -2.94 0.00 -4.18 7.72 8.00 -1.26 -4.68 116.55 119.21 2nz4 n ASP 79 Ca -0.20 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.99 2nz4 n ASP 79 Cb 0.63 -0.56 -0.17 0.00 -0.02 0.00 0.00 41.12 41.01 2nz4 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2nz4 s LYS 80 N -0.10 2.77 0.02 -1.24 1.02 -0.77 -5.04 119.74 116.41 2nz4 s LYS 80 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 2nz4 s LYS 80 Cb 0.00 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.12 2nz4 s LYS 80 CO 0.00 0.16 1.55 -1.25 -0.92 0.00 0.00 175.35 174.89 2nz4 s PRO 81 N 0.38 4.23 0.38 -1.68 0.04 -1.26 -1.89 135.00 135.20 2nz4 s PRO 81 Ca -0.17 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 2nz4 s PRO 81 Cb -0.17 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.64 2nz4 s PRO 81 CO 0.08 -0.68 1.01 0.00 0.04 0.00 0.00 177.00 177.44 2nz4 s MET 82 N 2.71 4.29 -0.14 4.56 0.23 -0.93 -4.83 119.30 125.19 2nz4 s MET 82 Ca 0.70 1.41 -0.07 0.00 -1.03 0.00 0.00 55.69 56.69 2nz4 s MET 82 Cb -0.35 -2.57 -0.04 0.00 -1.53 0.00 0.00 34.83 30.33 2nz4 s MET 82 CO 0.29 -0.01 0.13 1.03 -2.03 0.00 0.00 175.02 174.44 2nz4 s ARG 83 N -2.45 3.58 -0.04 3.16 1.81 -0.91 -1.07 118.95 123.02 2nz4 s ARG 83 Ca 0.56 -0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.45 2nz4 s ARG 83 Cb -0.19 -3.22 -0.00 0.00 -0.45 0.00 0.00 34.95 31.08 2nz4 s ARG 83 CO 0.25 0.67 -0.17 0.42 -0.68 0.00 0.00 175.30 175.78 2nz4 s ILE 84 N -0.72 1.44 0.07 1.52 1.01 -1.26 -1.60 121.20 121.66 2nz4 s ILE 84 Ca 0.13 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2nz4 s ILE 84 Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2nz4 s ILE 84 CO 0.03 0.41 -0.11 -1.10 0.00 0.00 0.00 174.94 174.17 2nz4 s GLN 85 N 0.04 0.74 0.20 2.79 -0.21 0.96 -4.97 119.66 119.21 2nz4 s GLN 85 Ca -0.04 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 2nz4 s GLN 85 Cb -0.12 -0.58 -0.09 0.00 1.00 0.00 0.00 33.01 33.22 2nz4 s GLN 85 CO 0.02 0.11 1.38 0.71 -2.12 0.00 0.00 175.29 175.40 2nz4 s TYR 86 N -1.62 3.16 0.55 0.91 4.12 -1.26 0.12 117.35 123.33 2nz4 s TYR 86 Ca -0.02 1.08 -0.20 0.00 0.02 0.00 0.00 57.07 57.94 2nz4 s TYR 86 Cb -0.08 -3.71 -0.05 0.00 -1.52 0.00 0.00 41.96 36.60 2nz4 s TYR 86 CO 0.01 -2.32 1.24 0.00 0.02 0.00 0.00 175.55 174.50 2nz4 s ALA 87 N 0.27 2.70 0.04 3.71 0.00 -0.82 -4.71 121.76 122.94 2nz4 s ALA 87 Ca 0.59 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 2nz4 s ALA 87 Cb -0.39 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 2nz4 s ALA 87 CO 0.38 -1.13 1.28 0.87 0.00 0.00 0.00 175.76 177.17 2nz4 h LYS 88 N 1.27 -0.57 -6.16 0.00 1.79 -1.93 -3.45 116.57 107.52 2nz4 h LYS 88 Ca -0.50 0.04 -0.52 0.00 -2.18 0.00 0.00 60.65 57.49 2nz4 h LYS 88 Cb 1.29 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 32.01 2nz4 h LYS 88 CO 0.57 -0.38 -0.50 0.95 -1.08 0.00 0.00 179.45 179.01 2nz4 s THR 89 N -4.44 3.39 0.55 -0.16 -4.23 -1.26 -5.02 115.64 104.47 2nz4 s THR 89 Ca -0.09 -1.53 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 2nz4 s THR 89 Cb 0.02 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2nz4 s THR 89 CO 0.30 -0.20 1.16 -1.81 -0.54 0.00 0.00 174.62 173.52 2nz4 s ASP 90 N -3.91 5.61 0.30 3.99 1.01 -1.26 -4.92 116.67 117.48 2nz4 s ASP 90 Ca 0.39 2.25 -0.29 0.00 0.71 0.00 0.00 52.55 55.61 2nz4 s ASP 90 Cb -0.05 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 2nz4 s ASP 90 CO 0.25 -1.30 1.11 -0.44 0.21 0.00 0.00 175.17 174.99 2nz4 s SER 91 N -1.68 7.17 0.37 0.27 0.01 -1.26 -4.89 113.70 113.70 2nz4 s SER 91 Ca 0.73 2.27 0.27 0.00 1.31 0.00 0.00 55.95 60.54 2nz4 s SER 91 Cb -0.26 -2.62 1.19 0.00 0.21 0.00 0.00 66.02 64.53 2nz4 s SER 91 CO 0.29 -0.21 1.82 -2.24 0.41 0.00 0.00 173.24 173.31 2nz4 h ASP 92 N 3.63 0.00 1.52 2.44 -0.00 -1.99 1.27 116.42 123.29 2nz4 h ASP 92 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 2nz4 h ASP 92 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 2nz4 h ASP 92 CO 0.66 0.00 0.00 -0.29 -0.00 0.00 0.00 179.24 179.61 2nz4 h ILE 93 N 0.00 0.00 0.02 4.15 2.10 -2.00 -2.57 117.51 119.22 2nz4 h ILE 93 Ca 0.00 -0.54 -0.35 0.00 1.08 0.00 0.00 64.86 65.05 2nz4 h ILE 93 Cb 0.35 1.53 -0.05 0.00 -1.09 0.00 0.00 36.82 37.56 2nz4 h ILE 93 CO 0.00 0.00 -2.15 -0.38 -1.08 0.00 0.00 178.15 174.54 2nz4 n ILE 94 N -2.38 1.55 -0.16 2.19 2.08 0.43 -4.35 119.36 118.72 2nz4 n ILE 94 Ca 0.05 -0.74 -0.10 0.00 0.56 0.00 0.00 62.75 62.53 2nz4 n ILE 94 Cb 0.44 -1.08 -0.00 0.00 -0.75 0.00 0.00 39.64 38.24 2nz4 n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2nz4 h ALA 95 N 0.59 0.60 0.00 -1.39 0.00 -1.48 -3.49 119.26 114.10 2nz4 h ALA 95 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2nz4 h ALA 95 Cb 2.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2nz4 h ALA 95 CO 0.03 0.36 0.00 0.36 0.00 0.00 0.00 179.25 180.00