#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zbb n LYS 25 N 0.00 5.18 0.00 1.64 -0.00 -1.26 -4.71 118.16 119.01 1zbb n LYS 25 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1zbb n LYS 25 Cb 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 35.03 34.28 1zbb n LYS 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1zbb n ARG 26 N -1.09 0.00 0.00 -1.58 0.63 -1.26 -2.27 116.66 111.09 1zbb n ARG 26 Ca 0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1zbb n ARG 26 Cb 0.08 -0.55 0.00 0.00 0.45 0.00 0.00 32.46 32.45 1zbb n ARG 26 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1zbb n ARG 27 N -0.06 0.25 -0.35 -0.14 5.12 -1.26 -3.32 116.66 116.89 1zbb n ARG 27 Ca 0.00 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1zbb n ARG 27 Cb 0.00 -1.12 0.16 0.00 -1.16 0.00 0.00 32.46 30.34 1zbb n ARG 27 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1zbb n LYS 28 N 0.32 2.54 -1.52 5.56 4.81 -0.96 -4.87 118.16 124.03 1zbb n LYS 28 Ca 0.00 -1.26 -0.40 0.00 -0.87 0.00 0.00 58.31 55.78 1zbb n LYS 28 Cb 0.06 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 1zbb n LYS 28 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1zbb n THR 29 N 0.26 -0.02 -1.65 3.15 -1.04 -1.21 -4.75 114.28 109.01 1zbb n THR 29 Ca 0.11 -0.43 -0.52 0.00 -2.04 0.00 0.00 64.05 61.17 1zbb n THR 29 Cb 0.62 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.27 1zbb n THR 29 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1zbb n ARG 30 N 8.71 1.52 -3.97 -2.82 1.74 -1.26 -4.95 116.66 115.62 1zbb n ARG 30 Ca 0.48 0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 57.81 1zbb n ARG 30 Cb 0.31 -2.26 -0.15 0.00 -1.02 0.00 0.00 32.46 29.34 1zbb n ARG 30 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1zbb s LYS 31 N 1.90 1.54 0.59 5.56 2.47 -1.26 -5.11 119.74 125.42 1zbb s LYS 31 Ca 0.88 -2.00 -0.09 0.00 -1.56 0.00 0.00 55.97 53.20 1zbb s LYS 31 Cb -0.88 -3.12 -0.03 0.00 -1.46 0.00 0.00 37.83 32.33 1zbb s LYS 31 CO 0.50 -0.99 0.97 -1.83 0.16 0.00 0.00 175.35 174.16 1zbb s GLU 32 N 0.65 3.48 0.32 4.03 -1.05 -1.26 -5.09 118.70 119.78 1zbb s GLU 32 Ca 0.13 0.55 -0.17 0.00 -0.15 0.00 0.00 54.97 55.32 1zbb s GLU 32 Cb -0.21 -2.16 0.03 0.00 -0.44 0.00 0.00 34.13 31.35 1zbb s GLU 32 CO -0.07 -0.53 0.70 -1.54 0.95 0.00 0.00 175.26 174.77 1zbb s SER 33 N -4.19 -0.08 0.00 0.83 1.04 -1.26 -5.03 113.70 105.02 1zbb s SER 33 Ca 0.53 -0.89 0.20 0.00 0.48 0.00 0.00 55.95 56.28 1zbb s SER 33 Cb -0.11 0.75 0.61 0.00 0.10 0.00 0.00 66.02 67.38 1zbb s SER 33 CO 0.51 -1.44 1.48 -1.22 0.98 0.00 0.00 173.24 173.54 1zbb n TYR 34 N -0.48 0.33 -0.22 5.02 4.02 -1.26 -4.56 117.16 120.00 1zbb n TYR 34 Ca -0.05 -0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 57.67 1zbb n TYR 34 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.98 1zbb n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1zbb h ALA 35 N 4.13 0.38 0.00 -0.72 0.00 -1.96 0.15 119.26 121.24 1zbb h ALA 35 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1zbb h ALA 35 Cb 0.63 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zbb h ALA 35 CO 0.00 -0.45 -0.27 -0.84 0.00 0.00 0.00 179.25 177.69 1zbb h ILE 36 N -0.02 0.81 0.22 0.00 3.07 -2.00 -0.65 117.51 118.94 1zbb h ILE 36 Ca 0.31 -1.08 -0.32 0.00 1.55 0.00 0.00 64.86 65.31 1zbb h ILE 36 Cb 0.50 1.66 0.03 0.00 -0.27 0.00 0.00 36.82 38.74 1zbb h ILE 36 CO -0.69 0.26 -1.43 1.88 -1.05 0.00 0.00 178.15 177.12 1zbb h TYR 37 N 0.00 0.86 -0.85 0.16 -1.99 -1.46 -2.61 116.97 111.08 1zbb h TYR 37 Ca -0.00 -0.63 -0.01 0.00 2.00 0.00 0.00 58.73 60.09 1zbb h TYR 37 Cb 0.64 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.29 1zbb h TYR 37 CO 0.00 1.50 0.49 0.28 -0.00 0.00 0.00 178.16 180.43 1zbb h VAL 38 N 0.13 1.24 -0.58 -2.88 2.07 -0.50 -2.11 116.25 113.62 1zbb h VAL 38 Ca -0.23 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1zbb h VAL 38 Cb 2.12 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1zbb h VAL 38 CO 0.26 0.26 0.35 0.22 0.02 0.00 0.00 177.57 178.68 1zbb h TYR 39 N 1.17 0.76 -0.85 1.57 3.20 -1.12 -1.22 116.97 120.49 1zbb h TYR 39 Ca 0.30 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1zbb h TYR 39 Cb -0.02 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 1zbb h TYR 39 CO 0.01 0.52 0.48 0.87 -1.64 0.00 0.00 178.16 178.40 1zbb h LYS 40 N 0.78 1.18 -0.21 1.82 1.57 -1.00 -2.43 116.57 118.27 1zbb h LYS 40 Ca 0.21 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1zbb h LYS 40 Cb -0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1zbb h LYS 40 CO -0.04 0.85 -0.47 0.28 -0.57 0.00 0.00 179.45 179.50 1zbb h VAL 41 N 1.19 1.31 -0.57 0.50 2.07 -1.02 -2.73 116.25 117.00 1zbb h VAL 41 Ca 0.30 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1zbb h VAL 41 Cb 0.00 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1zbb h VAL 41 CO -0.05 0.52 0.31 0.25 0.02 0.00 0.00 177.57 178.62 1zbb h LEU 42 N 0.45 0.69 -0.80 2.57 5.85 -0.81 -1.83 115.31 121.42 1zbb h LEU 42 Ca 0.03 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1zbb h LEU 42 Cb 0.99 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1zbb h LEU 42 CO 0.09 0.56 -0.27 0.11 -0.34 0.00 0.00 178.44 178.59 1zbb h LYS 43 N 0.79 0.59 -0.09 1.25 1.79 -1.18 0.64 116.57 120.36 1zbb h LYS 43 Ca 0.20 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1zbb h LYS 43 Cb 0.03 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1zbb h LYS 43 CO -0.03 0.81 -0.58 1.96 -1.08 0.00 0.00 179.45 180.52 1zbb h GLN 44 N 0.52 0.29 0.03 3.15 4.20 -1.10 -2.73 115.11 119.47 1zbb h GLN 44 Ca 0.07 -0.19 -0.33 0.00 0.06 0.00 0.00 58.65 58.26 1zbb h GLN 44 Cb 0.74 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1zbb h GLN 44 CO 0.06 0.79 -1.94 1.33 -0.67 0.00 0.00 178.83 178.39 1zbb n VAL 45 N -3.90 1.61 -3.23 -0.54 0.24 -0.75 -4.72 118.33 107.04 1zbb n VAL 45 Ca -0.02 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.34 61.28 1zbb n VAL 45 Cb 0.60 -1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 31.74 1zbb n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1zbb n HIS 46 N -3.13 -0.82 -0.51 6.34 8.25 0.22 -5.01 115.22 120.57 1zbb n HIS 46 Ca -0.25 -3.32 0.42 0.00 -0.26 0.00 0.00 57.72 54.30 1zbb n HIS 46 Cb 1.06 0.01 0.71 0.00 1.12 0.00 0.00 29.99 32.90 1zbb n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1zbb h PRO 47 N 4.61 0.05 -0.43 -0.41 0.11 -1.59 0.02 132.00 134.37 1zbb h PRO 47 Ca 0.13 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1zbb h PRO 47 Cb 0.90 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1zbb h PRO 47 CO 0.41 0.03 0.01 -0.25 -0.21 0.00 0.00 178.00 177.99 1zbb n ASP 48 N -4.46 4.75 -4.49 -2.05 8.00 -1.26 -4.92 116.55 112.12 1zbb n ASP 48 Ca 0.39 -3.01 -0.33 0.00 0.71 0.00 0.00 54.79 52.55 1zbb n ASP 48 Cb 1.60 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 41.95 1zbb n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1zbb s THR 49 N -2.83 3.19 0.00 -3.53 2.01 -0.01 -5.12 115.64 109.35 1zbb s THR 49 Ca 0.49 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1zbb s THR 49 Cb 0.38 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.63 1zbb s THR 49 CO 0.12 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 1zbb n GLY 50 N 2.40 2.51 3.42 4.40 0.00 -1.26 -4.87 105.19 111.78 1zbb n GLY 50 Ca -0.17 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 1zbb n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1zbb s ILE 51 N 0.53 -0.01 0.89 -0.61 2.07 -1.26 -5.15 121.20 117.66 1zbb s ILE 51 Ca 0.00 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1zbb s ILE 51 Cb 0.00 -0.76 0.13 0.00 0.13 0.00 0.00 42.46 41.95 1zbb s ILE 51 CO 0.00 0.02 1.09 -0.94 -1.91 0.00 0.00 174.94 173.20 1zbb s SER 52 N 1.31 3.52 0.14 4.50 1.04 -1.26 -4.81 113.70 118.13 1zbb s SER 52 Ca -0.08 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.68 1zbb s SER 52 Cb -0.07 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.92 1zbb s SER 52 CO -0.13 -2.61 1.63 0.28 0.98 0.00 0.00 173.24 173.39 1zbb h SER 53 N -1.53 0.76 -0.78 7.02 0.02 -2.01 0.06 113.55 117.08 1zbb h SER 53 Ca -0.49 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.18 1zbb h SER 53 Cb 1.28 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1zbb h SER 53 CO 0.55 0.83 0.44 0.11 -1.14 0.00 0.00 176.83 177.62 1zbb h LYS 54 N 0.66 1.08 -0.39 3.45 1.57 -1.99 -0.55 116.57 120.40 1zbb h LYS 54 Ca 0.14 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1zbb h LYS 54 Cb 0.39 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1zbb h LYS 54 CO 0.01 0.79 -0.21 0.00 -0.57 0.00 0.00 179.45 179.47 1zbb h ALA 55 N 1.23 0.90 -0.28 3.86 0.00 -1.85 -2.29 119.26 120.82 1zbb h ALA 55 Ca 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1zbb h ALA 55 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zbb h ALA 55 CO -0.05 0.62 -0.12 1.98 0.00 0.00 0.00 179.25 181.69 1zbb h MET 56 N 0.67 0.48 -0.32 0.00 1.85 -0.48 -1.22 114.93 115.90 1zbb h MET 56 Ca 0.09 -0.13 -0.12 0.00 -0.61 0.00 0.00 59.70 58.94 1zbb h MET 56 Cb 0.72 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 1zbb h MET 56 CO 0.06 0.60 -0.28 1.03 -0.40 0.00 0.00 176.91 177.92 1zbb h SER 57 N 0.44 0.67 -0.26 1.39 0.87 -0.79 0.81 113.55 116.69 1zbb h SER 57 Ca 0.08 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1zbb h SER 57 Cb 0.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1zbb h SER 57 CO 0.03 0.91 0.16 0.40 -0.53 0.00 0.00 176.83 177.80 1zbb h ILE 58 N 0.56 1.09 -0.81 2.23 1.08 -0.91 -0.69 117.51 120.07 1zbb h ILE 58 Ca 0.07 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1zbb h ILE 58 Cb 0.76 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1zbb h ILE 58 CO 0.06 0.09 0.49 0.24 -0.69 0.00 0.00 178.15 178.34 1zbb h MET 59 N 0.33 1.09 -0.44 2.37 2.86 -0.76 0.96 114.93 121.34 1zbb h MET 59 Ca 0.09 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1zbb h MET 59 Cb 0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1zbb h MET 59 CO -0.02 0.77 0.26 -0.97 1.06 0.00 0.00 176.91 178.01 1zbb h ASN 60 N 1.11 0.53 -0.70 1.22 -1.24 -0.48 -0.92 115.58 115.09 1zbb h ASN 60 Ca 0.29 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.26 1zbb h ASN 60 Cb -0.05 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 1zbb h ASN 60 CO -0.05 0.43 0.45 0.28 -1.29 0.00 0.00 177.43 177.25 1zbb h SER 61 N 0.58 0.75 0.00 1.15 0.02 -0.66 -1.41 113.55 113.98 1zbb h SER 61 Ca 0.16 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1zbb h SER 61 Cb 0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1zbb h SER 61 CO -0.03 0.53 -0.12 0.15 -1.14 0.00 0.00 176.83 176.22 1zbb h PHE 62 N 0.89 -0.32 -0.70 3.45 3.57 -0.27 0.87 116.94 124.44 1zbb h PHE 62 Ca 0.27 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1zbb h PHE 62 Cb -0.03 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1zbb h PHE 62 CO -0.03 -0.19 0.20 0.28 -2.23 0.00 0.00 178.31 176.34 1zbb h VAL 63 N -0.21 1.26 -0.70 1.41 2.07 -0.99 -0.99 116.25 118.09 1zbb h VAL 63 Ca 0.04 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1zbb h VAL 63 Cb 0.27 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1zbb h VAL 63 CO -0.12 0.35 0.24 0.78 0.02 0.00 0.00 177.57 178.84 1zbb h ASN 64 N 1.03 0.99 0.16 0.57 2.35 -1.05 -0.99 115.58 118.64 1zbb h ASN 64 Ca 0.22 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1zbb h ASN 64 Cb 0.32 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1zbb h ASN 64 CO -0.00 0.91 -0.07 -0.78 -1.65 0.00 0.00 177.43 175.83 1zbb h ASP 65 N 1.03 -0.18 -0.43 5.81 3.58 -0.43 -1.80 116.42 124.00 1zbb h ASP 65 Ca 0.23 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1zbb h ASP 65 Cb 0.26 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1zbb h ASP 65 CO -0.01 0.11 0.15 0.58 -2.88 0.00 0.00 179.24 177.20 1zbb h VAL 66 N -0.48 1.20 0.11 2.25 2.07 -1.11 -0.36 116.25 119.93 1zbb h VAL 66 Ca -0.02 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1zbb h VAL 66 Cb 0.37 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1zbb h VAL 66 CO 0.04 0.25 -0.05 0.15 0.02 0.00 0.00 177.57 177.97 1zbb h PHE 67 N 0.70 -0.14 -0.46 1.57 3.57 -1.11 -0.24 116.94 120.84 1zbb h PHE 67 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1zbb h PHE 67 Cb 0.21 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1zbb h PHE 67 CO 0.01 -0.08 0.29 0.93 -2.23 0.00 0.00 178.31 177.23 1zbb h GLU 68 N -0.14 0.61 -0.54 1.11 5.08 -0.76 0.12 114.58 120.05 1zbb h GLU 68 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1zbb h GLU 68 Cb 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1zbb h GLU 68 CO 0.02 0.42 0.17 0.00 -1.00 0.00 0.00 179.01 178.62 1zbb h ARG 69 N 0.61 0.84 -0.27 2.33 3.08 -0.97 0.22 114.38 120.22 1zbb h ARG 69 Ca 0.17 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1zbb h ARG 69 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1zbb h ARG 69 CO -0.03 0.76 -0.32 0.82 -1.07 0.00 0.00 179.97 180.12 1zbb h ILE 70 N 0.75 1.30 -0.54 2.04 2.04 -0.84 -1.41 117.51 120.84 1zbb h ILE 70 Ca 0.18 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1zbb h ILE 70 Cb 0.27 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1zbb h ILE 70 CO -0.01 0.48 -0.01 0.00 0.00 0.00 0.00 178.15 178.61 1zbb h ALA 71 N 0.68 0.95 -0.47 1.87 0.00 -0.68 -0.04 119.26 121.57 1zbb h ALA 71 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1zbb h ALA 71 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1zbb h ALA 71 CO 0.08 0.63 0.06 0.78 0.00 0.00 0.00 179.25 180.80 1zbb h GLY 72 N 0.99 0.85 1.17 0.00 0.00 -0.51 0.75 103.07 106.33 1zbb h GLY 72 Ca 0.16 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1zbb h GLY 72 CO 0.03 0.54 0.07 -2.09 0.00 0.00 0.00 176.54 175.08 1zbb h GLU 73 N 0.66 1.01 -0.61 4.80 4.57 -1.06 -1.95 114.58 121.99 1zbb h GLU 73 Ca 0.14 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1zbb h GLU 73 Cb 0.41 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1zbb h GLU 73 CO 0.01 0.95 0.01 0.00 -1.18 0.00 0.00 179.01 178.80 1zbb h ALA 74 N 1.12 0.82 0.03 2.92 0.00 -0.70 -1.45 119.26 121.99 1zbb h ALA 74 Ca 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1zbb h ALA 74 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1zbb h ALA 74 CO 0.02 0.65 -0.10 1.03 0.00 0.00 0.00 179.25 180.85 1zbb h SER 75 N 0.97 -0.29 -0.59 0.00 0.87 -0.60 -1.73 113.55 112.18 1zbb h SER 75 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1zbb h SER 75 Cb 0.55 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1zbb h SER 75 CO 0.03 -0.15 0.29 0.03 -0.53 0.00 0.00 176.83 176.50 1zbb h ARG 76 N -0.19 0.84 -0.26 2.24 3.08 -1.22 -0.94 114.38 117.92 1zbb h ARG 76 Ca 0.03 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.01 1zbb h ARG 76 Cb 0.22 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1zbb h ARG 76 CO -0.08 0.68 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.35 1zbb h LEU 77 N 0.80 -0.26 -0.60 3.04 3.38 -1.10 0.27 115.31 120.84 1zbb h LEU 77 Ca 0.20 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1zbb h LEU 77 Cb 0.10 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1zbb h LEU 77 CO -0.03 -0.09 0.24 0.00 0.09 0.00 0.00 178.44 178.65 1zbb h ALA 78 N 1.25 0.78 -0.37 1.53 0.00 -1.10 -2.11 119.26 119.25 1zbb h ALA 78 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1zbb h ALA 78 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1zbb h ALA 78 CO -0.28 0.40 0.16 0.45 0.00 0.00 0.00 179.25 179.98 1zbb h HIS 79 N 0.84 0.54 -0.81 0.00 3.86 -0.64 0.90 115.15 119.84 1zbb h HIS 79 Ca 0.20 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 1zbb h HIS 79 Cb 0.21 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1zbb h HIS 79 CO 0.01 0.48 0.53 1.88 0.86 0.00 0.00 177.93 181.69 1zbb h TYR 80 N 0.45 0.82 -0.46 2.45 0.05 -0.30 -0.87 116.97 119.11 1zbb h TYR 80 Ca 0.12 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.93 1zbb h TYR 80 Cb 0.15 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1zbb h TYR 80 CO -0.01 0.38 0.00 0.09 -1.05 0.00 0.00 178.16 177.58 1zbb n ASN 81 N -4.51 2.52 -3.54 3.88 3.02 -0.81 -4.94 115.26 110.89 1zbb n ASN 81 Ca 0.14 -1.98 -0.19 0.00 -0.03 0.00 0.00 54.58 52.52 1zbb n ASN 81 Cb 0.32 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1zbb n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1zbb n LYS 82 N 0.88 -5.66 -5.07 3.52 5.02 -0.33 -5.00 118.16 111.51 1zbb n LYS 82 Ca 0.16 0.75 -0.29 0.00 -2.02 0.00 0.00 58.31 56.91 1zbb n LYS 82 Cb 0.40 -5.56 -0.16 0.00 -0.02 0.00 0.00 35.03 29.69 1zbb n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1zbb s ARG 83 N -5.58 2.19 0.00 1.97 1.81 0.22 -5.01 118.95 114.54 1zbb s ARG 83 Ca 0.03 -0.77 0.24 0.00 -1.72 0.00 0.00 55.73 53.50 1zbb s ARG 83 Cb -0.00 -1.88 0.69 0.00 -0.45 0.00 0.00 34.95 33.31 1zbb s ARG 83 CO 0.77 0.32 1.53 -1.13 -0.68 0.00 0.00 175.30 176.11 1zbb n SER 84 N 3.02 2.14 -4.31 0.23 3.41 -1.26 -4.20 113.62 112.65 1zbb n SER 84 Ca -0.18 -1.74 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 1zbb n SER 84 Cb 0.52 -0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.24 1zbb n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1zbb s THR 85 N -1.84 2.44 -0.36 6.66 2.01 -1.26 -5.09 115.64 118.20 1zbb s THR 85 Ca 0.34 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 1zbb s THR 85 Cb 0.20 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1zbb s THR 85 CO 0.30 0.56 0.25 -0.63 -0.69 0.00 0.00 174.62 174.41 1zbb s ILE 86 N 0.04 5.27 0.55 1.82 1.01 -1.26 -4.89 121.20 123.73 1zbb s ILE 86 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.30 1zbb s ILE 86 Cb -0.15 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.60 1zbb s ILE 86 CO 0.05 -0.08 0.39 0.42 0.00 0.00 0.00 174.94 175.73 1zbb s THR 87 N 1.71 1.58 0.49 2.92 -4.23 -1.26 -5.00 115.64 111.85 1zbb s THR 87 Ca 0.06 -1.51 0.20 0.00 -1.18 0.00 0.00 61.69 59.26 1zbb s THR 87 Cb -0.18 -2.09 0.26 0.00 1.34 0.00 0.00 72.50 71.83 1zbb s THR 87 CO 0.10 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 177.05 1zbb h SER 88 N 0.75 0.00 -0.84 3.99 4.64 -1.99 -2.12 113.55 117.97 1zbb h SER 88 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1zbb h SER 88 Cb 1.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 1zbb h SER 88 CO 0.58 0.09 0.40 -0.09 -0.87 0.00 0.00 176.83 176.93 1zbb h ARG 89 N 0.00 1.22 -0.19 4.77 2.43 -1.99 0.21 114.38 120.83 1zbb h ARG 89 Ca -0.00 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.85 1zbb h ARG 89 Cb 0.18 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1zbb h ARG 89 CO 0.01 0.94 -0.48 0.93 -1.51 0.00 0.00 179.97 179.86 1zbb h GLU 90 N 1.21 0.49 -0.54 0.20 3.07 -1.77 -1.63 114.58 115.60 1zbb h GLU 90 Ca 0.29 -0.27 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1zbb h GLU 90 Cb 0.13 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1zbb h GLU 90 CO -0.04 0.86 0.06 0.82 -1.40 0.00 0.00 179.01 179.31 1zbb h ILE 91 N 0.39 1.26 0.20 3.13 1.08 -1.15 0.26 117.51 122.68 1zbb h ILE 91 Ca 0.02 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1zbb h ILE 91 Cb 0.98 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1zbb h ILE 91 CO 0.09 0.36 -0.09 -0.61 -0.69 0.00 0.00 178.15 177.20 1zbb h GLN 92 N 0.79 -0.25 -0.66 2.37 4.15 -0.79 0.49 115.11 121.21 1zbb h GLN 92 Ca 0.16 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1zbb h GLN 92 Cb 0.45 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1zbb h GLN 92 CO 0.02 -0.07 0.34 1.15 -1.93 0.00 0.00 178.83 178.34 1zbb h THR 93 N -0.39 1.21 -0.71 2.39 2.02 -1.26 -1.41 112.91 114.75 1zbb h THR 93 Ca -0.03 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 1zbb h THR 93 Cb 0.30 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1zbb h THR 93 CO 0.04 0.23 0.18 0.00 0.37 0.00 0.00 175.52 176.35 1zbb h ALA 94 N 1.45 0.94 -0.70 6.16 0.00 -0.63 -1.64 119.26 124.84 1zbb h ALA 94 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1zbb h ALA 94 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1zbb h ALA 94 CO -0.03 0.66 0.38 0.28 0.00 0.00 0.00 179.25 180.53 1zbb h VAL 95 N 1.07 1.22 -0.30 0.00 2.07 -0.22 0.80 116.25 120.90 1zbb h VAL 95 Ca 0.22 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1zbb h VAL 95 Cb 0.36 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1zbb h VAL 95 CO 0.00 0.24 -0.08 0.03 0.02 0.00 0.00 177.57 177.78 1zbb h ARG 96 N 0.96 0.48 0.05 1.57 3.08 -0.89 0.43 114.38 120.07 1zbb h ARG 96 Ca 0.25 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 59.91 1zbb h ARG 96 Cb 0.04 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.04 1zbb h ARG 96 CO -0.04 0.57 -1.10 -0.07 -1.07 0.00 0.00 179.97 178.25 1zbb h LEU 97 N 0.45 0.74 0.15 3.04 3.38 -0.85 -3.38 115.31 118.84 1zbb h LEU 97 Ca 0.09 -0.64 -0.33 0.00 0.09 0.00 0.00 57.88 57.09 1zbb h LEU 97 Cb 0.41 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1zbb h LEU 97 CO 0.02 1.45 -1.64 0.25 0.09 0.00 0.00 178.44 178.61 1zbb h LEU 98 N 0.28 0.48 -9.78 1.67 5.85 -0.58 -3.47 115.31 109.75 1zbb h LEU 98 Ca -0.14 -0.70 -0.59 0.00 0.84 0.00 0.00 57.88 57.29 1zbb h LEU 98 Cb 1.76 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1zbb h LEU 98 CO 0.20 1.59 -0.19 -0.76 -0.34 0.00 0.00 178.44 178.95 1zbb s LEU 99 N -7.10 4.39 0.55 2.25 1.43 0.12 -5.06 118.68 115.26 1zbb s LEU 99 Ca -0.12 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 53.69 1zbb s LEU 99 Cb 0.06 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1zbb s LEU 99 CO 0.85 0.20 1.23 -2.84 0.23 0.00 0.00 176.35 176.02 1zbb s PRO 100 N -1.67 3.21 0.00 1.29 0.02 -1.26 -4.44 135.00 132.15 1zbb s PRO 100 Ca 0.32 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1zbb s PRO 100 Cb -0.15 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1zbb s PRO 100 CO 0.17 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1zbb n GLY 101 N 0.54 0.00 0.33 0.52 0.00 -1.26 -1.47 105.19 103.86 1zbb n GLY 101 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1zbb n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zbb h GLU 102 N 0.00 1.01 -0.80 1.61 4.57 -2.00 -2.23 114.58 116.74 1zbb h GLU 102 Ca 0.00 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1zbb h GLU 102 Cb 0.00 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1zbb h GLU 102 CO 0.00 0.79 0.52 1.25 -1.18 0.00 0.00 179.01 180.39 1zbb h LEU 103 N 1.01 0.88 -0.51 1.64 5.85 -1.62 -2.42 115.31 120.13 1zbb h LEU 103 Ca 0.24 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1zbb h LEU 103 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1zbb h LEU 103 CO -0.03 0.62 0.15 0.00 -0.34 0.00 0.00 178.44 178.84 1zbb h ALA 104 N 1.31 0.67 -0.07 1.25 0.00 -0.68 -0.25 119.26 121.50 1zbb h ALA 104 Ca 0.30 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1zbb h ALA 104 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1zbb h ALA 104 CO -0.09 0.34 -0.04 -0.22 0.00 0.00 0.00 179.25 179.25 1zbb h LYS 105 N 0.70 -0.04 -0.33 0.00 3.64 -1.11 0.21 116.57 119.64 1zbb h LYS 105 Ca 0.16 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1zbb h LYS 105 Cb 0.30 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1zbb h LYS 105 CO -0.00 -0.02 -0.29 0.45 -2.27 0.00 0.00 179.45 177.32 1zbb h HIS 106 N -0.04 0.79 -0.55 1.91 3.86 -1.41 -0.68 115.15 119.03 1zbb h HIS 106 Ca 0.04 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 1zbb h HIS 106 Cb 0.10 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1zbb h HIS 106 CO -0.14 0.90 0.22 0.00 0.86 0.00 0.00 177.93 179.76 1zbb h ALA 107 N 1.09 0.71 -0.67 2.45 0.00 -0.65 -0.05 119.26 122.14 1zbb h ALA 107 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1zbb h ALA 107 Cb 0.79 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1zbb h ALA 107 CO 0.06 0.32 0.25 0.28 0.00 0.00 0.00 179.25 180.17 1zbb h VAL 108 N 0.75 1.24 -0.61 0.00 2.07 -0.37 0.15 116.25 119.48 1zbb h VAL 108 Ca 0.18 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1zbb h VAL 108 Cb 0.20 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1zbb h VAL 108 CO -0.02 0.31 0.21 -1.28 0.02 0.00 0.00 177.57 176.81 1zbb h SER 109 N 0.96 0.83 -0.14 0.57 0.87 -0.74 -0.39 113.55 115.50 1zbb h SER 109 Ca 0.22 -0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 1zbb h SER 109 Cb 0.24 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1zbb h SER 109 CO -0.01 0.77 -0.68 -0.33 -0.53 0.00 0.00 176.83 176.05 1zbb h GLU 110 N 0.88 0.71 -0.22 2.24 4.39 -0.64 -2.40 114.58 119.55 1zbb h GLU 110 Ca 0.20 -0.58 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1zbb h GLU 110 Cb 0.22 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1zbb h GLU 110 CO -0.01 1.19 0.08 0.78 -1.16 0.00 0.00 179.01 179.89 1zbb h GLY 111 N 0.41 0.35 1.51 -3.84 0.00 -0.72 -1.59 103.07 99.20 1zbb h GLY 111 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1zbb h GLY 111 CO 0.14 0.18 0.19 -0.84 0.00 0.00 0.00 176.54 176.22 1zbb h THR 112 N 0.19 1.16 -0.22 4.70 2.02 -1.12 -2.08 112.91 117.56 1zbb h THR 112 Ca 0.07 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1zbb h THR 112 Cb 0.19 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1zbb h THR 112 CO -0.00 0.20 -0.08 0.50 0.37 0.00 0.00 175.52 176.50 1zbb h LYS 113 N 0.63 0.44 -0.61 6.66 3.64 -1.14 -2.02 116.57 124.17 1zbb h LYS 113 Ca 0.16 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1zbb h LYS 113 Cb 0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1zbb h LYS 113 CO -0.02 0.71 0.16 0.00 -2.27 0.00 0.00 179.45 178.03 1zbb h ALA 114 N 0.72 1.14 -0.16 5.00 0.00 -1.01 -0.80 119.26 124.15 1zbb h ALA 114 Ca 0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1zbb h ALA 114 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1zbb h ALA 114 CO 0.03 0.58 -0.50 0.28 0.00 0.00 0.00 179.25 179.64 1zbb h VAL 115 N 0.90 1.33 0.22 0.00 2.07 -1.35 -0.17 116.25 119.25 1zbb h VAL 115 Ca 0.20 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1zbb h VAL 115 Cb 0.30 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1zbb h VAL 115 CO -0.00 0.53 -0.11 0.74 0.02 0.00 0.00 177.57 178.75 1zbb h THR 116 N 0.33 0.83 0.11 2.57 2.02 -1.07 -0.77 112.91 116.93 1zbb h THR 116 Ca 0.01 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1zbb h THR 116 Cb 1.00 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1zbb h THR 116 CO 0.09 0.16 -0.37 0.50 0.37 0.00 0.00 175.52 176.27 1zbb h LYS 117 N -0.72 -0.52 -0.95 6.66 1.63 -1.15 0.58 116.57 122.10 1zbb h LYS 117 Ca -0.03 0.04 0.28 0.00 -0.85 0.00 0.00 60.65 60.08 1zbb h LYS 117 Cb 0.49 0.12 -0.17 0.00 -0.60 0.00 0.00 32.23 32.07 1zbb h LYS 117 CO 0.05 -0.35 0.17 -0.92 -3.45 0.00 0.00 179.45 174.95 1zbb h TYR 118 N -0.54 0.21 0.74 1.91 3.20 -1.07 -1.11 116.97 120.31 1zbb h TYR 118 Ca -0.01 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1zbb h TYR 118 Cb 0.54 0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.88 1zbb h TYR 118 CO -0.39 -0.36 -0.35 1.15 -1.64 0.00 0.00 178.16 176.57 1zbb h THR 119 N 0.08 0.00 0.00 1.81 2.02 0.02 -2.48 112.91 114.36 1zbb h THR 119 Ca 0.61 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1zbb h THR 119 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1zbb h THR 119 CO -0.80 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 173.89 1zbb n SER 120 N -5.09 0.65 -4.49 4.18 7.64 0.08 -4.68 113.62 111.92 1zbb n SER 120 Ca -0.12 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1zbb n SER 120 Cb 0.39 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 1zbb n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zbb s ALA 121 N -0.14 2.90 0.00 -0.43 0.00 -0.80 -5.00 121.76 118.28 1zbb s ALA 121 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1zbb s ALA 121 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1zbb s ALA 121 CO 0.00 0.31 0.00 1.17 0.00 0.00 0.00 175.76 177.24