#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1znv s GLU 2 N 0.00 4.21 -0.37 3.17 0.41 -1.26 -5.04 118.70 119.81 1znv s GLU 2 Ca 0.00 0.54 -0.18 0.00 -0.41 0.00 0.00 54.97 54.92 1znv s GLU 2 Cb 0.00 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 1znv s GLU 2 CO 0.00 -0.20 0.50 -0.51 -0.49 0.00 0.00 175.26 174.56 1znv s LEU 3 N 1.79 4.46 0.55 1.80 1.43 -1.26 -5.07 118.68 122.38 1znv s LEU 3 Ca 0.27 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1znv s LEU 3 Cb -0.16 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1znv s LEU 3 CO 0.10 -0.52 0.96 -0.54 0.23 0.00 0.00 176.35 176.59 1znv s LYS 4 N 2.36 3.73 0.27 1.70 -0.14 -1.26 -4.99 119.74 121.40 1znv s LYS 4 Ca 0.17 0.72 0.26 0.00 -1.36 0.00 0.00 55.97 55.76 1znv s LYS 4 Cb -0.16 -2.17 0.75 0.00 -1.68 0.00 0.00 37.83 34.58 1znv s LYS 4 CO 0.14 -0.37 1.75 -2.95 -0.76 0.00 0.00 175.35 173.15 1znv h ASN 5 N 0.32 0.00 -5.13 2.83 -1.07 -1.98 -3.47 115.58 107.08 1znv h ASN 5 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.86 1znv h ASN 5 Cb 1.19 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 37.32 1znv h ASN 5 CO 0.62 0.00 -0.12 -0.94 0.07 0.00 0.00 177.43 177.06 1znv s SER 6 N -4.85 -0.15 0.39 6.14 1.04 -1.26 -4.83 113.70 110.17 1znv s SER 6 Ca 0.09 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.07 1znv s SER 6 Cb 0.11 0.49 0.81 0.00 0.10 0.00 0.00 66.02 67.53 1znv s SER 6 CO 0.59 -0.93 1.99 0.40 0.98 0.00 0.00 173.24 176.28 1znv h ILE 7 N 2.38 1.03 0.00 -1.02 1.08 -1.91 -0.82 117.51 118.24 1znv h ILE 7 Ca -0.32 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1znv h ILE 7 Cb 1.25 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1znv h ILE 7 CO 0.44 0.12 0.00 0.77 -0.69 0.00 0.00 178.15 178.79 1znv h SER 8 N 0.65 0.00 0.91 1.72 4.64 -1.84 -0.28 113.55 119.34 1znv h SER 8 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1znv h SER 8 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1znv h SER 8 CO -0.08 0.00 -0.61 0.44 -0.87 0.00 0.00 176.83 175.71 1znv h ASP 9 N 0.00 0.00 -3.05 4.97 3.32 -1.46 -3.31 116.42 116.89 1znv h ASP 9 Ca 0.00 -0.19 -0.62 0.00 0.02 0.00 0.00 57.03 56.24 1znv h ASP 9 Cb 0.13 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 1znv h ASP 9 CO 0.00 0.10 -0.34 -0.31 -1.72 0.00 0.00 179.24 176.97 1znv s TYR 10 N -3.17 3.57 0.49 4.55 2.02 -0.12 -4.82 117.35 119.86 1znv s TYR 10 Ca 0.06 0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 57.39 1znv s TYR 10 Cb 0.13 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1znv s TYR 10 CO 0.72 0.48 0.78 0.95 -1.57 0.00 0.00 175.55 176.91 1znv s THR 11 N -0.34 4.58 0.25 -0.71 -4.23 -1.26 0.14 115.64 114.08 1znv s THR 11 Ca 0.18 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1znv s THR 11 Cb -0.14 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.21 1znv s THR 11 CO 0.06 -0.70 1.88 -0.33 -0.54 0.00 0.00 174.62 174.99 1znv h GLU 12 N 0.20 1.10 -0.64 3.99 5.08 -1.93 -0.65 114.58 121.72 1znv h GLU 12 Ca -0.47 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1znv h GLU 12 Cb 1.22 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1znv h GLU 12 CO 0.61 0.73 0.35 0.00 -1.00 0.00 0.00 179.01 179.70 1znv h ALA 13 N 1.42 0.82 -0.15 3.43 0.00 -1.95 -1.22 119.26 121.61 1znv h ALA 13 Ca 0.40 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1znv h ALA 13 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1znv h ALA 13 CO -0.16 0.34 -0.25 0.93 0.00 0.00 0.00 179.25 180.11 1znv h GLU 14 N 0.87 0.27 -0.41 0.00 5.08 -1.75 -2.16 114.58 116.48 1znv h GLU 14 Ca 0.23 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1znv h GLU 14 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1znv h GLU 14 CO -0.04 0.51 -0.26 0.35 -1.00 0.00 0.00 179.01 178.57 1znv h PHE 15 N 0.24 0.99 -0.94 4.33 3.57 -0.25 -2.43 116.94 122.46 1znv h PHE 15 Ca 0.04 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.31 1znv h PHE 15 Cb 0.58 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1znv h PHE 15 CO 0.01 1.02 0.62 0.28 -2.23 0.00 0.00 178.31 178.01 1znv h VAL 16 N 0.74 1.22 -0.86 1.41 2.07 -0.90 -0.70 116.25 119.22 1znv h VAL 16 Ca 0.09 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1znv h VAL 16 Cb 0.80 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1znv h VAL 16 CO 0.07 0.23 0.45 1.56 0.02 0.00 0.00 177.57 179.90 1znv h GLN 17 N 1.24 1.21 -0.82 1.57 4.20 -0.99 0.18 115.11 121.71 1znv h GLN 17 Ca 0.35 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1znv h GLN 17 Cb -0.10 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.41 1znv h GLN 17 CO -0.09 0.90 0.45 1.25 -0.67 0.00 0.00 178.83 180.67 1znv h LEU 18 N 1.21 1.03 -1.19 1.46 5.85 -0.81 -1.16 115.31 121.69 1znv h LEU 18 Ca 0.30 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1znv h LEU 18 Cb 0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1znv h LEU 18 CO -0.04 0.83 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.77 1znv h LEU 19 N 1.14 0.48 -0.37 2.25 3.38 0.09 -1.43 115.31 120.85 1znv h LEU 19 Ca 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1znv h LEU 19 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1znv h LEU 19 CO -0.05 0.58 -0.35 0.11 0.09 0.00 0.00 178.44 178.82 1znv h LYS 20 N 0.48 0.00 -0.27 1.13 1.79 -0.55 -1.10 116.57 118.05 1znv h LYS 20 Ca 0.10 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 1znv h LYS 20 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1znv h LYS 20 CO 0.02 0.35 -0.23 1.49 -1.08 0.00 0.00 179.45 180.00 1znv h GLU 21 N 0.00 0.63 -0.46 3.15 4.57 -0.58 -1.52 114.58 120.37 1znv h GLU 21 Ca -0.00 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1znv h GLU 21 Cb 1.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1znv h GLU 21 CO 0.05 0.91 0.25 0.82 -1.18 0.00 0.00 179.01 179.86 1znv h ILE 22 N 0.36 1.17 -0.85 2.32 2.04 -1.10 -1.92 117.51 119.53 1znv h ILE 22 Ca 0.05 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1znv h ILE 22 Cb 0.78 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1znv h ILE 22 CO 0.06 0.18 0.56 -0.33 0.00 0.00 0.00 178.15 178.62 1znv h GLU 23 N 0.61 1.03 -0.62 2.37 5.08 -1.00 -0.86 114.58 121.20 1znv h GLU 23 Ca 0.16 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1znv h GLU 23 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1znv h GLU 23 CO -0.03 0.68 0.06 -0.22 -1.00 0.00 0.00 179.01 178.50 1znv h LYS 24 N 1.06 1.06 0.00 2.33 3.64 -0.90 -2.81 116.57 120.95 1znv h LYS 24 Ca 0.34 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1znv h LYS 24 Cb 0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1znv h LYS 24 CO -0.10 1.01 -0.17 0.93 -2.27 0.00 0.00 179.45 178.85 1znv h GLU 25 N 0.96 0.00 -0.68 1.90 4.39 -0.56 -2.51 114.58 118.09 1znv h GLU 25 Ca 0.18 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.94 1znv h GLU 25 Cb 0.49 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1znv h GLU 25 CO 0.02 0.17 0.45 -0.91 -1.16 0.00 0.00 179.01 177.57 1znv h ASN 26 N 0.00 0.63 -0.15 1.42 -0.26 -0.91 -2.09 115.58 114.21 1znv h ASN 26 Ca -0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1znv h ASN 26 Cb 0.78 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1znv h ASN 26 CO 0.02 0.42 0.00 1.33 -1.06 0.00 0.00 177.43 178.14 1znv n VAL 27 N -4.47 0.18 -1.49 2.81 0.24 -0.95 -4.94 118.33 109.71 1znv n VAL 27 Ca 0.09 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.34 61.61 1znv n VAL 27 Cb 0.20 0.86 0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1znv n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1znv s ALA 28 N -1.82 2.49 0.46 2.33 0.00 -0.79 -4.94 121.76 119.50 1znv s ALA 28 Ca 0.34 0.22 0.14 0.00 0.00 0.00 0.00 51.96 52.66 1znv s ALA 28 Cb 0.20 -3.23 1.10 0.00 0.00 0.00 0.00 23.12 21.19 1znv s ALA 28 CO 0.30 -1.43 2.05 0.00 0.00 0.00 0.00 175.76 176.69 1znv h ALA 29 N -0.76 1.99 -1.95 0.00 0.00 -1.92 -3.44 119.26 113.19 1znv h ALA 29 Ca -0.44 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 53.98 1znv h ALA 29 Cb 1.22 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1znv h ALA 29 CO 0.54 -0.06 -0.58 0.95 0.00 0.00 0.00 179.25 180.11 1znv s THR 30 N -5.28 0.90 -1.44 0.00 -4.23 -1.26 -5.05 115.64 99.28 1znv s THR 30 Ca -0.07 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.62 1znv s THR 30 Cb 0.18 -2.63 0.54 0.00 1.34 0.00 0.00 72.50 71.93 1znv s THR 30 CO 0.72 0.00 1.45 0.47 -0.54 0.00 0.00 174.62 176.72 1znv n ASP 31 N -0.85 3.71 0.07 3.99 8.00 -1.26 -4.69 116.55 125.52 1znv n ASP 31 Ca -0.03 -2.09 -0.13 0.00 0.71 0.00 0.00 54.79 53.24 1znv n ASP 31 Cb 0.66 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 1znv n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1znv h ASP 32 N 3.40 -1.22 -0.22 -2.24 3.32 -1.96 -0.04 116.42 117.46 1znv h ASP 32 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1znv h ASP 32 Cb 0.98 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1znv h ASP 32 CO 0.04 -0.45 -0.46 0.58 -1.72 0.00 0.00 179.24 177.22 1znv h VAL 33 N -0.57 1.31 -0.55 -1.35 2.07 -1.96 -3.27 116.25 111.93 1znv h VAL 33 Ca 0.04 -1.68 0.11 0.00 0.82 0.00 0.00 66.70 66.00 1znv h VAL 33 Cb 0.65 1.81 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 1znv h VAL 33 CO -0.30 0.53 -0.04 0.25 0.02 0.00 0.00 177.57 178.03 1znv h LEU 34 N 0.42 -0.33 -2.09 2.57 5.85 -1.78 -1.72 115.31 118.23 1znv h LEU 34 Ca 0.01 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1znv h LEU 34 Cb 1.07 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1znv h LEU 34 CO 0.10 -0.12 -0.03 0.44 -0.34 0.00 0.00 178.44 178.49 1znv h ASP 35 N 0.08 0.00 -0.01 1.25 3.32 -1.05 0.13 116.42 120.13 1znv h ASP 35 Ca 0.28 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 1znv h ASP 35 Cb 0.43 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.99 1znv h ASP 35 CO -0.50 0.03 -0.72 0.58 -1.72 0.00 0.00 179.24 176.92 1znv h VAL 36 N 0.00 1.38 -0.56 -1.35 2.07 -1.41 -1.68 116.25 114.71 1znv h VAL 36 Ca -0.00 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.37 1znv h VAL 36 Cb 0.07 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1znv h VAL 36 CO 0.00 0.63 0.14 -0.07 0.02 0.00 0.00 177.57 178.29 1znv h LEU 37 N 0.06 0.80 -0.50 2.57 3.38 -0.72 -1.06 115.31 119.85 1znv h LEU 37 Ca -0.09 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1znv h LEU 37 Cb 1.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1znv h LEU 37 CO 0.14 0.78 -0.28 -0.07 0.09 0.00 0.00 178.44 179.10 1znv h LEU 38 N 0.83 0.96 -0.71 1.67 3.38 -0.77 -0.79 115.31 119.87 1znv h LEU 38 Ca 0.18 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1znv h LEU 38 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1znv h LEU 38 CO -0.00 1.17 0.44 -0.33 0.09 0.00 0.00 178.44 179.80 1znv h GLU 39 N 0.78 0.96 -0.49 1.13 5.08 -0.90 -0.44 114.58 120.70 1znv h GLU 39 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1znv h GLU 39 Cb 0.86 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1znv h GLU 39 CO 0.08 0.68 0.24 1.25 -1.00 0.00 0.00 179.01 180.25 1znv h HIS 40 N 0.97 0.70 -0.26 4.33 2.76 -0.95 -0.70 115.15 122.00 1znv h HIS 40 Ca 0.26 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 1znv h HIS 40 Cb -0.04 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 1znv h HIS 40 CO -0.01 0.55 0.07 0.35 -1.30 0.00 0.00 177.93 177.58 1znv h PHE 41 N 0.64 0.11 -0.38 5.26 3.04 -0.58 -0.81 116.94 124.23 1znv h PHE 41 Ca 0.17 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1znv h PHE 41 Cb 0.11 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1znv h PHE 41 CO -0.01 0.04 0.21 0.28 -2.02 0.00 0.00 178.31 176.82 1znv h VAL 42 N 0.17 1.14 -0.01 1.41 2.07 -0.89 -1.71 116.25 118.44 1znv h VAL 42 Ca 0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1znv h VAL 42 Cb 0.11 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1znv h VAL 42 CO -0.14 0.15 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 1znv h LYS 43 N 0.49 -0.02 0.00 1.57 3.64 -0.77 -2.32 116.57 119.16 1znv h LYS 43 Ca 0.13 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1znv h LYS 43 Cb 0.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1znv h LYS 43 CO -0.02 -0.01 -0.82 -0.84 -2.27 0.00 0.00 179.45 175.48 1znv h ILE 44 N -0.02 1.57 -0.09 2.00 3.07 -1.13 -3.30 117.51 119.61 1znv h ILE 44 Ca 0.01 -2.85 -0.20 0.00 1.55 0.00 0.00 64.86 63.37 1znv h ILE 44 Cb 0.03 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 1znv h ILE 44 CO -0.02 0.81 -0.76 0.71 -1.05 0.00 0.00 178.15 177.83 1znv h THR 45 N 0.00 1.35 -0.18 0.16 1.35 -1.30 -3.38 112.91 110.91 1znv h THR 45 Ca -0.01 -2.11 -0.08 0.00 -0.55 0.00 0.00 66.41 63.66 1znv h THR 45 Cb 1.48 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 69.97 1znv h THR 45 CO 0.11 0.65 -0.07 -0.62 -0.25 0.00 0.00 175.52 175.33 1znv n GLU 46 N -3.86 -1.10 -2.57 4.72 1.02 -0.88 -4.98 120.64 113.00 1znv n GLU 46 Ca -0.05 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 1znv n GLU 46 Cb 0.73 -4.44 -0.03 0.00 -0.02 0.00 0.00 31.44 27.68 1znv n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1znv s HIS 47 N -1.73 3.58 0.42 -0.32 2.46 -1.26 -4.94 115.29 113.50 1znv s HIS 47 Ca 0.00 1.54 0.16 0.00 0.47 0.00 0.00 55.06 57.23 1znv s HIS 47 Cb 0.00 -3.25 1.06 0.00 -0.13 0.00 0.00 32.58 30.26 1znv s HIS 47 CO 0.00 -0.58 1.88 -1.00 -2.47 0.00 0.00 174.74 172.58 1znv h PRO 48 N 6.39 0.41 -0.07 2.88 0.13 -1.96 -0.62 132.00 139.15 1znv h PRO 48 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1znv h PRO 48 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1znv h PRO 48 CO 0.77 0.27 0.00 -0.25 -0.23 0.00 0.00 178.00 178.56 1znv n ASP 49 N -4.49 0.98 0.00 1.44 8.00 -1.26 -4.97 116.55 116.25 1znv n ASP 49 Ca 0.17 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1znv n ASP 49 Cb 0.62 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1znv n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1znv n GLY 50 N 1.03 2.23 0.08 0.44 0.00 -0.24 -0.97 105.19 107.76 1znv n GLY 50 Ca 0.17 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.52 1znv n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1znv n THR 51 N 0.00 1.53 0.27 2.61 -2.24 -1.26 -2.11 114.28 113.07 1znv n THR 51 Ca 0.00 0.60 0.11 0.00 -2.27 0.00 0.00 64.05 62.49 1znv n THR 51 Cb 0.00 -1.59 0.73 0.00 -2.10 0.00 0.00 70.33 67.37 1znv n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1znv h ASP 52 N 0.00 0.00 -0.03 3.42 5.19 -1.41 -0.47 116.42 123.12 1znv h ASP 52 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1znv h ASP 52 Cb 0.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 1znv h ASP 52 CO 0.00 0.06 0.01 -0.07 -3.12 0.00 0.00 179.24 176.12 1znv h LEU 53 N 0.00 0.06 0.00 1.55 3.38 -1.61 0.26 115.31 118.95 1znv h LEU 53 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1znv h LEU 53 Cb 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1znv h LEU 53 CO 0.01 0.07 -0.97 0.40 0.09 0.00 0.00 178.44 178.03 1znv h ILE 54 N 0.07 0.64 0.00 1.22 2.04 -1.35 -3.39 117.51 116.74 1znv h ILE 54 Ca 0.02 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1znv h ILE 54 Cb 0.03 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1znv h ILE 54 CO -0.00 0.22 -0.70 1.88 0.00 0.00 0.00 178.15 179.55 1znv h TYR 55 N -1.00 0.00 -1.95 1.37 0.05 -1.24 -3.39 116.97 110.80 1znv h TYR 55 Ca -0.23 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.06 1znv h TYR 55 Cb 1.03 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.38 1znv h TYR 55 CO 0.00 0.00 -1.17 0.66 -1.05 0.00 0.00 178.16 176.61 1znv n TYR 56 N -2.16 0.01 -1.95 4.88 4.01 0.90 -5.03 117.16 117.83 1znv n TYR 56 Ca 0.03 -3.73 -0.38 0.00 -0.16 0.00 0.00 57.90 53.66 1znv n TYR 56 Cb 0.45 -0.36 0.02 0.00 -0.31 0.00 0.00 39.34 39.14 1znv n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1znv s PRO 57 N -2.15 3.36 0.48 -0.72 0.04 -1.16 -4.63 135.00 130.21 1znv s PRO 57 Ca 0.39 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 63.28 1znv s PRO 57 Cb 0.32 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1znv s PRO 57 CO -0.09 -0.97 1.21 -1.12 0.04 0.00 0.00 177.00 176.07 1znv s SER 58 N -1.10 5.97 0.45 6.66 0.01 -1.26 -4.92 113.70 119.51 1znv s SER 58 Ca 0.69 2.40 0.31 0.00 1.31 0.00 0.00 55.95 60.66 1znv s SER 58 Cb -0.36 -2.61 1.39 0.00 0.21 0.00 0.00 66.02 64.64 1znv s SER 58 CO 0.43 -1.06 1.92 0.44 0.41 0.00 0.00 173.24 175.38 1znv h ASP 59 N 1.91 0.00 0.00 2.44 3.32 -2.00 -2.89 116.42 119.20 1znv h ASP 59 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1znv h ASP 59 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1znv h ASP 59 CO 0.59 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.65 1znv n ASN 60 N -2.71 0.00 -4.13 6.45 0.23 -1.26 -4.82 115.26 109.02 1znv n ASN 60 Ca 0.00 -1.39 -0.10 0.00 -0.53 0.00 0.00 54.58 52.56 1znv n ASN 60 Cb 0.21 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.82 1znv n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1znv s ARG 61 N -2.00 1.06 0.32 -3.83 1.70 -1.09 -5.15 118.95 109.96 1znv s ARG 61 Ca 0.29 -1.45 -0.27 0.00 -0.47 0.00 0.00 55.73 53.84 1znv s ARG 61 Cb 0.13 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1znv s ARG 61 CO 0.22 -0.34 0.99 -0.51 -1.08 0.00 0.00 175.30 174.59 1znv s ASP 62 N -3.07 7.24 -1.10 -2.89 1.01 -1.26 -4.81 116.67 111.80 1znv s ASP 62 Ca 0.27 1.95 -0.16 0.00 0.71 0.00 0.00 52.55 55.33 1znv s ASP 62 Cb 0.06 -2.59 0.15 0.00 1.01 0.00 0.00 42.92 41.56 1znv s ASP 62 CO 0.05 -0.14 1.31 -0.62 0.21 0.00 0.00 175.17 175.98 1znv s ASP 63 N -1.45 6.89 0.22 0.27 2.15 -1.26 -4.22 116.67 119.27 1znv s ASP 63 Ca 0.50 -2.61 -0.23 0.00 0.43 0.00 0.00 52.55 50.64 1znv s ASP 63 Cb -0.22 -2.40 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1znv s ASP 63 CO 0.28 -0.87 0.75 -0.94 -0.17 0.00 0.00 175.17 174.21 1znv s SER 64 N 3.16 -0.31 0.32 -0.34 1.04 -1.26 -4.99 113.70 111.31 1znv s SER 64 Ca 0.39 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1znv s SER 64 Cb -0.04 0.64 0.57 0.00 0.10 0.00 0.00 66.02 67.30 1znv s SER 64 CO -0.04 -1.15 1.94 -0.65 0.98 0.00 0.00 173.24 174.32 1znv h PRO 65 N 2.00 0.94 -0.64 4.02 0.11 -1.98 -1.36 132.00 135.09 1znv h PRO 65 Ca -0.23 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1znv h PRO 65 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1znv h PRO 65 CO 0.27 0.62 0.09 0.93 -0.21 0.00 0.00 178.00 179.70 1znv h GLU 66 N 0.97 1.06 -0.35 1.05 3.07 -1.96 -2.15 114.58 116.28 1znv h GLU 66 Ca 0.35 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 1znv h GLU 66 Cb 0.14 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1znv h GLU 66 CO -0.12 0.98 -0.16 0.78 -1.40 0.00 0.00 179.01 179.10 1znv h GLY 67 N 1.04 0.69 0.80 -3.84 0.00 -1.49 -1.55 103.07 98.72 1znv h GLY 67 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1znv h GLY 67 CO 0.01 0.48 -0.04 -2.22 0.00 0.00 0.00 176.54 174.78 1znv h ILE 68 N 0.57 1.28 -0.62 2.60 2.04 -1.11 -0.64 117.51 121.64 1znv h ILE 68 Ca 0.09 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1znv h ILE 68 Cb 0.60 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1znv h ILE 68 CO 0.04 0.30 0.35 0.58 0.00 0.00 0.00 178.15 179.43 1znv h VAL 69 N 0.09 1.19 -0.20 1.67 2.07 -1.30 -1.17 116.25 118.60 1znv h VAL 69 Ca 0.05 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1znv h VAL 69 Cb 0.48 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1znv h VAL 69 CO 0.02 0.20 0.12 0.50 0.02 0.00 0.00 177.57 178.43 1znv h LYS 70 N 0.83 0.28 -0.62 1.57 3.64 -1.18 0.21 116.57 121.30 1znv h LYS 70 Ca 0.22 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1znv h LYS 70 Cb 0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1znv h LYS 70 CO -0.04 0.24 0.38 1.49 -2.27 0.00 0.00 179.45 179.25 1znv h GLU 71 N 0.23 0.73 -0.42 1.90 4.81 -0.84 -0.79 114.58 120.20 1znv h GLU 71 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1znv h GLU 71 Cb 0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1znv h GLU 71 CO -0.01 0.48 0.20 0.82 -0.73 0.00 0.00 179.01 179.77 1znv h ILE 72 N 0.75 1.18 -0.75 2.32 2.04 -0.85 -0.89 117.51 121.31 1znv h ILE 72 Ca 0.25 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1znv h ILE 72 Cb 0.02 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1znv h ILE 72 CO -0.10 0.19 0.49 0.50 0.00 0.00 0.00 178.15 179.23 1znv h LYS 73 N 0.55 0.96 -0.35 2.37 3.64 -0.12 0.20 116.57 123.81 1znv h LYS 73 Ca 0.15 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 1znv h LYS 73 Cb 0.12 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1znv h LYS 73 CO -0.02 0.64 -0.41 0.93 -2.27 0.00 0.00 179.45 178.32 1znv h GLU 74 N 0.99 0.87 -0.25 1.90 5.08 -0.94 -1.93 114.58 120.30 1znv h GLU 74 Ca 0.28 -0.47 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1znv h GLU 74 Cb -0.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1znv h GLU 74 CO -0.07 1.11 -0.08 2.35 -1.00 0.00 0.00 179.01 181.31 1znv h TRP 75 N 0.71 0.57 -0.19 4.33 7.01 -0.93 -0.87 115.95 126.57 1znv h TRP 75 Ca 0.05 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1znv h TRP 75 Cb 0.99 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1znv h TRP 75 CO 0.06 0.74 0.08 0.00 -2.79 0.00 0.00 178.44 176.52 1znv h ARG 76 N 0.24 0.29 -0.68 2.65 3.08 -0.95 -1.91 114.38 117.10 1znv h ARG 76 Ca 0.06 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1znv h ARG 76 Cb 0.57 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1znv h ARG 76 CO 0.03 0.36 0.40 0.00 -1.07 0.00 0.00 179.97 179.69 1znv h ALA 77 N 0.92 0.90 0.00 0.04 0.00 -1.33 -0.67 119.26 119.11 1znv h ALA 77 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1znv h ALA 77 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1znv h ALA 77 CO -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 1znv h ALA 78 N 1.33 1.45 -0.51 0.00 0.00 -0.87 -2.13 119.26 118.52 1znv h ALA 78 Ca 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1znv h ALA 78 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1znv h ALA 78 CO -0.15 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1znv n ASN 79 N -3.87 4.70 -2.21 0.00 3.02 -0.60 -4.96 115.26 111.33 1znv n ASN 79 Ca -0.02 -2.68 -0.19 0.00 -0.03 0.00 0.00 54.58 51.66 1znv n ASN 79 Cb 0.21 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 1znv n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1znv n GLY 80 N 0.56 0.03 3.91 7.41 0.00 -0.76 -4.99 105.19 111.34 1znv n GLY 80 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1znv n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1znv s LYS 81 N -4.70 3.56 0.40 1.61 1.02 -0.36 -5.01 119.74 116.25 1znv s LYS 81 Ca 0.00 -0.22 -0.26 0.00 0.02 0.00 0.00 55.97 55.50 1znv s LYS 81 Cb 0.00 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.38 1znv s LYS 81 CO 0.00 0.41 1.31 -0.35 -0.92 0.00 0.00 175.35 175.80 1znv n PRO 82 N -0.39 2.07 -0.90 -1.68 -0.04 -1.26 -4.33 135.00 128.47 1znv n PRO 82 Ca -0.04 0.73 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 1znv n PRO 82 Cb 0.53 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1znv n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1znv n GLY 83 N 0.75 1.25 3.72 0.55 0.00 -1.26 -4.70 105.19 105.49 1znv n GLY 83 Ca 0.06 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1znv n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1znv s PHE 84 N 0.34 2.05 0.35 1.61 0.08 -1.26 -3.79 117.98 117.35 1znv s PHE 84 Ca 0.04 1.59 -0.28 0.00 0.12 0.00 0.00 56.93 58.40 1znv s PHE 84 Cb -0.00 -3.49 -0.10 0.00 -0.57 0.00 0.00 43.02 38.86 1znv s PHE 84 CO 0.03 -2.64 1.28 0.21 -0.10 0.00 0.00 175.22 174.00 1znv s LYS 85 N -3.86 4.28 -1.03 0.44 2.20 0.36 -4.93 119.74 117.19 1znv s LYS 85 Ca 0.75 2.15 -0.05 0.00 -0.36 0.00 0.00 55.97 58.46 1znv s LYS 85 Cb -0.30 -2.99 0.27 0.00 -1.51 0.00 0.00 37.83 33.30 1znv s LYS 85 CO 0.45 -0.23 1.14 1.04 -0.36 0.00 0.00 175.35 177.39 1znv n GLN 86 N 0.64 3.58 0.00 4.03 1.13 -1.26 -4.33 117.38 121.18 1znv n GLN 86 Ca 0.01 -4.51 0.00 0.00 -1.94 0.00 0.00 57.00 50.56 1znv n GLN 86 Cb 0.43 -2.49 0.00 0.00 0.11 0.00 0.00 30.24 28.28 1znv n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03