#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unk s GLU 2 N 0.00 2.92 0.22 0.03 -6.30 -1.26 -5.07 118.70 109.25 1unk s GLU 2 Ca 0.00 -3.01 -0.27 0.00 -2.50 0.00 0.00 54.97 49.19 1unk s GLU 2 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 34.13 30.23 1unk s GLU 2 CO 0.00 -1.23 0.87 -0.51 0.02 0.00 0.00 175.26 174.41 1unk s LEU 3 N -0.88 4.58 -0.29 2.70 1.02 -1.26 -5.08 118.68 119.47 1unk s LEU 3 Ca 0.23 1.80 -0.07 0.00 0.02 0.00 0.00 54.13 56.11 1unk s LEU 3 Cb -0.12 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.55 1unk s LEU 3 CO -0.09 0.15 0.09 -0.54 0.02 0.00 0.00 176.35 175.97 1unk s LYS 4 N -1.31 3.21 -0.19 1.70 -0.14 -1.26 -4.99 119.74 116.77 1unk s LYS 4 Ca 0.40 -0.78 0.15 0.00 -1.36 0.00 0.00 55.97 54.39 1unk s LYS 4 Cb -0.24 -3.39 -0.24 0.00 -1.68 0.00 0.00 37.83 32.28 1unk s LYS 4 CO 0.28 -0.40 0.10 0.09 -0.76 0.00 0.00 175.35 174.67 1unk n ASN 5 N 4.89 0.34 -4.13 2.83 4.13 -1.26 -5.01 115.26 117.05 1unk n ASN 5 Ca -0.15 0.03 -0.21 0.00 1.68 0.00 0.00 54.58 55.93 1unk n ASN 5 Cb 0.49 0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 39.34 1unk n ASN 5 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1unk s SER 6 N -5.69 2.05 0.40 6.41 1.04 -1.26 -4.61 113.70 112.04 1unk s SER 6 Ca -0.12 -1.55 0.13 0.00 0.48 0.00 0.00 55.95 54.88 1unk s SER 6 Cb 0.07 0.33 0.82 0.00 0.10 0.00 0.00 66.02 67.33 1unk s SER 6 CO 0.80 -0.84 1.89 -0.29 0.98 0.00 0.00 173.24 175.78 1unk h ILE 7 N 2.08 1.21 0.00 -1.02 2.10 -1.89 -2.03 117.51 117.96 1unk h ILE 7 Ca -0.36 -1.02 -0.01 0.00 1.08 0.00 0.00 64.86 64.55 1unk h ILE 7 Cb 1.26 1.53 -0.00 0.00 -1.09 0.00 0.00 36.82 38.52 1unk h ILE 7 CO 0.57 0.29 -0.07 0.77 -1.08 0.00 0.00 178.15 178.64 1unk h SER 8 N 0.02 0.00 0.50 2.19 4.64 -1.87 0.76 113.55 119.80 1unk h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1unk h SER 8 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1unk h SER 8 CO 0.04 0.07 0.00 0.44 -0.87 0.00 0.00 176.83 176.50 1unk h ASP 9 N 0.00 0.00 -2.43 4.97 3.32 -1.69 -3.31 116.42 117.28 1unk h ASP 9 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1unk h ASP 9 Cb 0.56 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 1unk h ASP 9 CO 0.01 0.00 -0.65 -0.31 -1.72 0.00 0.00 179.24 176.57 1unk s TYR 10 N -3.49 2.74 0.18 4.55 2.02 0.26 -4.94 117.35 118.68 1unk s TYR 10 Ca 0.01 -0.20 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1unk s TYR 10 Cb 0.09 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1unk s TYR 10 CO 0.35 0.58 -0.00 0.95 -1.57 0.00 0.00 175.55 175.87 1unk s THR 11 N -2.12 3.70 0.56 -0.71 -4.23 -1.26 0.13 115.64 111.70 1unk s THR 11 Ca 0.30 -1.47 0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1unk s THR 11 Cb -0.07 -2.87 0.37 0.00 1.34 0.00 0.00 72.50 71.27 1unk s THR 11 CO 0.19 -0.13 2.05 -0.08 -0.54 0.00 0.00 174.62 176.11 1unk h GLU 12 N 2.63 0.00 0.15 3.99 4.81 -1.94 0.78 114.58 125.01 1unk h GLU 12 Ca -0.47 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.49 1unk h GLU 12 Cb 1.21 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.62 1unk h GLU 12 CO 0.58 0.00 -1.15 0.00 -0.73 0.00 0.00 179.01 177.71 1unk h ALA 13 N 1.75 -0.07 -0.42 2.92 0.00 -1.94 -2.03 119.26 119.47 1unk h ALA 13 Ca 0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1unk h ALA 13 Cb 0.70 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1unk h ALA 13 CO -0.00 0.58 -0.14 0.93 0.00 0.00 0.00 179.25 180.62 1unk h GLU 14 N 0.05 0.78 -0.35 0.00 5.08 -1.71 -1.59 114.58 116.83 1unk h GLU 14 Ca -0.19 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1unk h GLU 14 Cb 1.87 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1unk h GLU 14 CO 0.22 0.88 -0.23 0.35 -1.00 0.00 0.00 179.01 179.22 1unk h PHE 15 N 0.70 0.79 -0.78 4.33 3.57 -0.92 -1.54 116.94 123.09 1unk h PHE 15 Ca 0.11 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1unk h PHE 15 Cb 0.63 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1unk h PHE 15 CO 0.03 0.87 0.34 0.28 -2.23 0.00 0.00 178.31 177.60 1unk h VAL 16 N 0.61 1.25 -0.61 1.41 2.07 -1.01 -1.41 116.25 118.56 1unk h VAL 16 Ca 0.09 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1unk h VAL 16 Cb 0.72 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1unk h VAL 16 CO 0.06 0.31 0.02 -0.61 0.02 0.00 0.00 177.57 177.37 1unk h GLN 17 N 1.12 1.07 -0.52 1.57 5.75 -0.92 -0.90 115.11 122.28 1unk h GLN 17 Ca 0.26 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1unk h GLN 17 Cb 0.17 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1unk h GLN 17 CO -0.03 1.03 0.28 1.25 -2.65 0.00 0.00 178.83 178.72 1unk h LEU 18 N 0.98 0.43 -1.27 -2.39 5.85 -0.88 -1.32 115.31 116.71 1unk h LEU 18 Ca 0.18 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1unk h LEU 18 Cb 0.54 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1unk h LEU 18 CO 0.03 0.30 0.44 -0.07 -0.34 0.00 0.00 178.44 178.80 1unk h LEU 19 N 0.55 0.82 -1.09 2.25 -0.00 -0.85 -1.71 115.31 115.27 1unk h LEU 19 Ca 0.22 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 58.00 1unk h LEU 19 Cb 0.09 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1unk h LEU 19 CO -0.13 0.61 -0.13 0.11 -0.00 0.00 0.00 178.44 178.90 1unk h LYS 20 N 0.96 0.49 -0.12 1.13 1.57 -0.27 -1.88 116.57 118.45 1unk h LYS 20 Ca 0.25 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1unk h LYS 20 Cb -0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1unk h LYS 20 CO -0.05 0.61 0.00 0.93 -0.57 0.00 0.00 179.45 180.37 1unk h GLU 21 N 0.45 0.21 -0.63 3.15 4.39 -0.58 -0.65 114.58 120.91 1unk h GLU 21 Ca 0.08 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.84 1unk h GLU 21 Cb 0.50 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.04 1unk h GLU 21 CO 0.03 0.45 0.17 0.82 -1.16 0.00 0.00 179.01 179.32 1unk h ILE 22 N -0.06 0.65 -0.36 3.13 2.04 -1.16 0.32 117.51 122.08 1unk h ILE 22 Ca 0.03 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1unk h ILE 22 Cb 0.35 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1unk h ILE 22 CO 0.01 0.06 0.23 -0.08 0.00 0.00 0.00 178.15 178.36 1unk h GLU 23 N 0.31 0.46 -0.55 2.37 4.81 -1.20 0.49 114.58 121.27 1unk h GLU 23 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1unk h GLU 23 Cb 0.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1unk h GLU 23 CO -0.40 0.30 0.34 -0.22 -0.73 0.00 0.00 179.01 178.31 1unk h LYS 24 N 0.47 0.73 0.00 1.92 3.64 0.04 -2.63 116.57 120.74 1unk h LYS 24 Ca 0.13 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1unk h LYS 24 Cb -0.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1unk h LYS 24 CO -0.04 0.51 -0.11 0.93 -2.27 0.00 0.00 179.45 178.48 1unk h GLU 25 N 0.74 0.00 -0.24 1.90 4.39 0.13 -2.36 114.58 119.14 1unk h GLU 25 Ca 0.20 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 1unk h GLU 25 Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1unk h GLU 25 CO -0.04 0.11 -0.20 -0.91 -1.16 0.00 0.00 179.01 176.81 1unk h ASN 26 N 0.00 0.41 0.12 1.42 -0.26 0.33 -2.60 115.58 114.99 1unk h ASN 26 Ca -0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1unk h ASN 26 Cb 0.85 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1unk h ASN 26 CO 0.01 0.62 -0.19 1.33 -1.06 0.00 0.00 177.43 178.14 1unk n VAL 27 N -4.17 0.00 -1.64 2.81 0.24 -0.92 -4.95 118.33 109.70 1unk n VAL 27 Ca -0.00 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 61.76 1unk n VAL 27 Cb 0.36 0.61 0.07 0.00 -1.47 0.00 0.00 33.84 33.40 1unk n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unk s ALA 28 N -2.32 2.32 0.32 2.33 0.00 -0.98 -4.94 121.76 118.48 1unk s ALA 28 Ca 0.28 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1unk s ALA 28 Cb 0.20 -3.39 0.58 0.00 0.00 0.00 0.00 23.12 20.51 1unk s ALA 28 CO 0.46 -1.53 1.92 0.00 0.00 0.00 0.00 175.76 176.62 1unk h ALA 29 N -0.04 1.56 -2.18 0.00 0.00 -1.92 -3.44 119.26 113.24 1unk h ALA 29 Ca -0.47 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1unk h ALA 29 Cb 1.27 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1unk h ALA 29 CO 0.52 0.31 -0.74 0.95 0.00 0.00 0.00 179.25 180.29 1unk s THR 30 N -5.84 2.24 -1.37 0.00 -4.23 -1.26 -5.07 115.64 100.10 1unk s THR 30 Ca -0.11 -2.33 0.18 0.00 -1.18 0.00 0.00 61.69 58.25 1unk s THR 30 Cb 0.20 -2.28 0.59 0.00 1.34 0.00 0.00 72.50 72.35 1unk s THR 30 CO 0.79 -0.42 1.50 0.47 -0.54 0.00 0.00 174.62 176.42 1unk n ASP 31 N -0.58 3.98 -0.20 3.99 9.92 -1.26 -4.69 116.55 127.72 1unk n ASP 31 Ca -0.06 -2.20 -0.09 0.00 -0.53 0.00 0.00 54.79 51.92 1unk n ASP 31 Cb 0.61 -0.46 0.02 0.00 -0.64 0.00 0.00 41.12 40.64 1unk n ASP 31 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1unk h ASP 32 N 3.58 0.91 0.01 -2.24 3.32 -1.97 -0.01 116.42 120.02 1unk h ASP 32 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1unk h ASP 32 Cb 1.10 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.42 1unk h ASP 32 CO 0.08 0.96 -0.32 0.58 -1.72 0.00 0.00 179.24 178.83 1unk h VAL 33 N 0.83 1.55 -0.68 -1.35 2.07 -1.96 -3.33 116.25 113.38 1unk h VAL 33 Ca 0.17 -2.05 0.14 0.00 0.82 0.00 0.00 66.70 65.78 1unk h VAL 33 Cb 0.46 2.84 -0.13 0.00 -1.52 0.00 0.00 31.29 32.94 1unk h VAL 33 CO 0.02 0.56 -0.15 0.25 0.02 0.00 0.00 177.57 178.27 1unk h LEU 34 N -0.49 -0.59 -1.60 2.57 5.85 -1.81 -0.54 115.31 118.70 1unk h LEU 34 Ca -0.04 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1unk h LEU 34 Cb 1.09 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 1unk h LEU 34 CO 0.06 -0.22 0.33 0.44 -0.34 0.00 0.00 178.44 178.71 1unk h ASP 35 N 0.01 0.44 0.18 1.25 3.32 -1.12 0.21 116.42 120.71 1unk h ASP 35 Ca 0.33 -0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.10 1unk h ASP 35 Cb 0.52 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 40.00 1unk h ASP 35 CO -0.69 0.30 -1.20 0.58 -1.72 0.00 0.00 179.24 176.51 1unk h VAL 36 N 0.51 1.35 -0.38 -1.35 2.07 -1.25 -2.89 116.25 114.31 1unk h VAL 36 Ca 0.20 -2.55 -0.08 0.00 0.82 0.00 0.00 66.70 65.09 1unk h VAL 36 Cb 0.17 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1unk h VAL 36 CO -0.05 0.76 -0.10 -0.07 0.02 0.00 0.00 177.57 178.12 1unk h LEU 37 N 0.04 0.65 -0.65 2.57 3.38 -0.87 -2.09 115.31 118.35 1unk h LEU 37 Ca -0.20 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1unk h LEU 37 Cb 1.92 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1unk h LEU 37 CO 0.23 0.79 0.12 -0.07 0.09 0.00 0.00 178.44 179.60 1unk h LEU 38 N 0.61 1.02 -0.79 1.67 3.38 -1.00 -0.86 115.31 119.34 1unk h LEU 38 Ca 0.11 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1unk h LEU 38 Cb 0.54 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1unk h LEU 38 CO 0.03 1.01 0.25 -0.08 0.09 0.00 0.00 178.44 179.74 1unk h GLU 39 N 0.98 1.15 0.05 1.13 4.81 -1.24 -1.36 114.58 120.11 1unk h GLU 39 Ca 0.20 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1unk h GLU 39 Cb 0.42 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1unk h GLU 39 CO 0.01 0.97 -0.03 1.25 -0.73 0.00 0.00 179.01 180.48 1unk h HIS 40 N 1.11 -0.07 -0.57 0.92 2.76 -1.06 -1.99 115.15 116.25 1unk h HIS 40 Ca 0.24 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 1unk h HIS 40 Cb 0.28 0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 1unk h HIS 40 CO 0.02 0.16 0.10 0.35 -1.30 0.00 0.00 177.93 177.27 1unk h PHE 41 N -0.29 0.15 -0.48 5.26 3.57 -0.97 0.49 116.94 124.68 1unk h PHE 41 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1unk h PHE 41 Cb 0.26 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1unk h PHE 41 CO -0.00 -0.05 0.24 0.28 -2.23 0.00 0.00 178.31 176.55 1unk h VAL 42 N 0.23 1.19 -0.59 1.41 2.07 -1.18 -1.29 116.25 118.08 1unk h VAL 42 Ca 0.30 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1unk h VAL 42 Cb 0.44 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1unk h VAL 42 CO -0.40 0.20 -0.04 0.11 0.02 0.00 0.00 177.57 177.46 1unk h LYS 43 N 0.63 1.06 0.03 1.57 1.57 -0.88 -2.77 116.57 117.79 1unk h LYS 43 Ca 0.17 -0.36 -0.23 0.00 -1.87 0.00 0.00 60.65 58.36 1unk h LYS 43 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1unk h LYS 43 CO -0.02 1.06 -1.07 -0.84 -0.57 0.00 0.00 179.45 178.00 1unk h ILE 44 N 0.96 1.65 0.00 1.86 -2.65 -0.81 -3.33 117.51 115.19 1unk h ILE 44 Ca 0.16 -3.32 -0.13 0.00 1.03 0.00 0.00 64.86 62.60 1unk h ILE 44 Cb 0.61 2.87 -0.02 0.00 -2.05 0.00 0.00 36.82 38.23 1unk h ILE 44 CO 0.04 0.95 -0.63 0.71 0.03 0.00 0.00 178.15 179.25 1unk h THR 45 N 0.02 1.37 -1.08 0.16 1.35 -1.21 -3.27 112.91 110.25 1unk h THR 45 Ca -0.05 -2.20 -0.34 0.00 -0.55 0.00 0.00 66.41 63.28 1unk h THR 45 Cb 1.83 2.21 -0.13 0.00 -1.73 0.00 0.00 68.15 70.32 1unk h THR 45 CO 0.15 0.61 -0.30 -0.62 -0.25 0.00 0.00 175.52 175.11 1unk n GLU 46 N -3.68 -1.43 -3.05 4.72 1.02 -1.05 -4.95 120.64 112.22 1unk n GLU 46 Ca -0.01 1.00 -0.40 0.00 -0.02 0.00 0.00 57.16 57.73 1unk n GLU 46 Cb 0.64 -5.32 -0.05 0.00 -0.02 0.00 0.00 31.44 26.70 1unk n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1unk s HIS 47 N -2.38 3.49 0.35 -0.32 2.46 -1.26 -4.98 115.29 112.66 1unk s HIS 47 Ca 0.00 1.15 0.12 0.00 0.47 0.00 0.00 55.06 56.80 1unk s HIS 47 Cb 0.00 -2.83 0.91 0.00 -0.13 0.00 0.00 32.58 30.53 1unk s HIS 47 CO 0.00 -0.04 1.79 -1.35 -2.47 0.00 0.00 174.74 172.67 1unk h PRO 48 N 7.04 0.57 0.00 2.88 0.11 -1.96 -1.45 132.00 139.19 1unk h PRO 48 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1unk h PRO 48 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1unk h PRO 48 CO 0.77 0.38 0.00 -0.25 -0.21 0.00 0.00 178.00 178.69 1unk n ASP 49 N -4.69 0.55 0.00 -2.05 8.00 -1.26 -4.97 116.55 112.13 1unk n ASP 49 Ca 0.23 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1unk n ASP 49 Cb 0.68 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1unk n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1unk n GLY 50 N -0.57 3.43 0.07 0.44 0.00 -0.55 -1.63 105.19 106.39 1unk n GLY 50 Ca 0.01 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1unk n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1unk n THR 51 N 0.00 0.72 -0.19 2.61 -2.24 -1.26 -2.87 114.28 111.05 1unk n THR 51 Ca 0.00 0.10 0.17 0.00 -2.27 0.00 0.00 64.05 62.05 1unk n THR 51 Cb 0.00 -0.92 0.51 0.00 -2.10 0.00 0.00 70.33 67.82 1unk n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1unk h ASP 52 N 0.00 0.39 -0.88 3.42 5.19 -1.69 0.84 116.42 123.69 1unk h ASP 52 Ca 0.00 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 1unk h ASP 52 Cb 0.43 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.82 1unk h ASP 52 CO 0.00 0.19 0.57 -0.07 -3.12 0.00 0.00 179.24 176.80 1unk h LEU 53 N 0.40 0.62 0.00 1.55 3.38 -1.69 0.14 115.31 119.71 1unk h LEU 53 Ca 0.40 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 1unk h LEU 53 Cb 0.96 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1unk h LEU 53 CO -0.13 0.31 -0.43 0.40 0.09 0.00 0.00 178.44 178.68 1unk h ILE 54 N 0.65 1.33 0.00 1.22 2.04 -1.09 -3.40 117.51 118.26 1unk h ILE 54 Ca 0.44 -2.16 -0.19 0.00 1.00 0.00 0.00 64.86 63.95 1unk h ILE 54 Cb 0.75 2.68 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 1unk h ILE 54 CO -0.20 0.45 -0.92 1.88 0.00 0.00 0.00 178.15 179.37 1unk h TYR 55 N -1.00 0.00 -2.41 1.37 0.05 -1.22 -3.40 116.97 110.37 1unk h TYR 55 Ca -0.11 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.07 1unk h TYR 55 Cb 1.02 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.35 1unk h TYR 55 CO 0.19 0.92 -0.72 0.66 -1.05 0.00 0.00 178.16 178.16 1unk n TYR 56 N -3.38 2.37 -2.16 4.88 4.01 0.47 -5.07 117.16 118.28 1unk n TYR 56 Ca 0.00 -4.01 -0.37 0.00 -0.16 0.00 0.00 57.90 53.36 1unk n TYR 56 Cb 0.89 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1unk n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1unk s PRO 57 N -1.73 3.64 0.74 -0.72 0.04 -1.26 -4.66 135.00 131.05 1unk s PRO 57 Ca 0.34 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 1unk s PRO 57 Cb 0.09 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1unk s PRO 57 CO -0.09 -0.68 1.20 -1.12 0.04 0.00 0.00 177.00 176.35 1unk s SER 58 N -1.28 4.17 0.24 6.66 0.01 -1.26 -4.91 113.70 117.32 1unk s SER 58 Ca 0.65 2.32 -0.05 0.00 1.31 0.00 0.00 55.95 60.18 1unk s SER 58 Cb -0.31 -2.58 0.40 0.00 0.21 0.00 0.00 66.02 63.74 1unk s SER 58 CO 0.37 -2.28 1.78 0.44 0.41 0.00 0.00 173.24 173.97 1unk h ASP 59 N -0.40 0.54 0.15 2.44 3.32 -2.01 -3.18 116.42 117.28 1unk h ASP 59 Ca -0.47 0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1unk h ASP 59 Cb 1.29 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1unk h ASP 59 CO 0.49 0.29 -0.22 -0.55 -1.72 0.00 0.00 179.24 177.53 1unk h ASN 60 N 0.66 -0.61 -3.63 6.45 -1.07 -2.04 -3.45 115.58 111.89 1unk h ASN 60 Ca 0.39 0.07 -0.45 0.00 0.07 0.00 0.00 56.30 56.38 1unk h ASN 60 Cb 0.43 0.23 0.15 0.00 -2.07 0.00 0.00 38.32 37.05 1unk h ASN 60 CO -0.29 -0.31 0.36 0.00 0.07 0.00 0.00 177.43 177.26 1unk s ARG 61 N -6.09 0.86 0.46 4.14 1.70 -1.20 -5.11 118.95 113.71 1unk s ARG 61 Ca -0.15 -0.56 0.03 0.00 -0.47 0.00 0.00 55.73 54.58 1unk s ARG 61 Cb 0.07 -1.95 -0.04 0.00 -0.57 0.00 0.00 34.95 32.47 1unk s ARG 61 CO 0.65 -2.21 0.02 0.16 -1.08 0.00 0.00 175.30 172.84 1unk s ASP 62 N -4.86 3.84 -0.35 -2.89 -4.77 -1.26 -4.77 116.67 101.60 1unk s ASP 62 Ca 0.72 -1.56 0.03 0.00 -3.30 0.00 0.00 52.55 48.44 1unk s ASP 62 Cb -0.04 0.23 0.50 0.00 -1.09 0.00 0.00 42.92 42.51 1unk s ASP 62 CO 0.51 -0.73 1.72 -0.90 0.70 0.00 0.00 175.17 176.47 1unk n ASP 63 N -1.16 3.84 -4.85 2.11 5.68 -1.26 -4.35 116.55 116.56 1unk n ASP 63 Ca -0.13 -3.24 -0.30 0.00 -0.50 0.00 0.00 54.79 50.61 1unk n ASP 63 Cb 0.67 -0.78 0.05 0.00 -1.14 0.00 0.00 41.12 39.92 1unk n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1unk s SER 64 N -0.76 5.35 0.36 -1.12 1.04 -1.26 -4.86 113.70 112.45 1unk s SER 64 Ca 0.44 1.28 0.04 0.00 0.48 0.00 0.00 55.95 58.19 1unk s SER 64 Cb 0.37 -2.12 0.69 0.00 0.10 0.00 0.00 66.02 65.06 1unk s SER 64 CO 0.08 -1.42 2.00 -0.65 0.98 0.00 0.00 173.24 174.23 1unk h PRO 65 N -0.71 0.77 -0.51 4.02 0.11 -1.93 -1.68 132.00 132.08 1unk h PRO 65 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1unk h PRO 65 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1unk h PRO 65 CO 0.62 0.51 -0.13 0.93 -0.21 0.00 0.00 178.00 179.71 1unk h GLU 66 N 0.79 0.99 -0.37 1.05 3.07 -1.95 -1.01 114.58 117.15 1unk h GLU 66 Ca 0.25 -0.38 -0.07 0.00 -0.50 0.00 0.00 59.36 58.66 1unk h GLU 66 Cb 0.02 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1unk h GLU 66 CO -0.07 1.06 -0.07 0.78 -1.40 0.00 0.00 179.01 179.31 1unk h GLY 67 N 0.85 0.67 0.83 -3.84 0.00 -1.67 -0.77 103.07 99.15 1unk h GLY 67 Ca 0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1unk h GLY 67 CO 0.05 0.42 -0.15 -2.22 0.00 0.00 0.00 176.54 174.65 1unk h ILE 68 N 0.58 1.31 -0.60 2.60 2.04 -1.10 -1.26 117.51 121.09 1unk h ILE 68 Ca 0.11 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.76 1unk h ILE 68 Cb 0.47 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1unk h ILE 68 CO 0.02 0.39 0.33 0.58 0.00 0.00 0.00 178.15 179.47 1unk h VAL 69 N 0.18 0.98 -0.53 1.67 2.07 -1.06 -0.59 116.25 118.96 1unk h VAL 69 Ca 0.04 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1unk h VAL 69 Cb 0.67 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1unk h VAL 69 CO 0.04 0.11 0.13 0.50 0.02 0.00 0.00 177.57 178.38 1unk h LYS 70 N 0.62 0.80 -0.38 1.57 3.64 -1.03 -0.60 116.57 121.18 1unk h LYS 70 Ca 0.26 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1unk h LYS 70 Cb 0.15 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1unk h LYS 70 CO -0.16 0.72 0.15 1.49 -2.27 0.00 0.00 179.45 179.37 1unk h GLU 71 N 0.77 0.57 -0.23 1.90 4.57 0.02 -2.16 114.58 120.03 1unk h GLU 71 Ca 0.17 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1unk h GLU 71 Cb 0.28 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1unk h GLU 71 CO -0.00 0.55 0.05 0.82 -1.18 0.00 0.00 179.01 179.25 1unk h ILE 72 N 0.47 1.22 -0.73 2.32 2.04 -0.71 -1.85 117.51 120.27 1unk h ILE 72 Ca 0.13 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1unk h ILE 72 Cb 0.20 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1unk h ILE 72 CO -0.01 0.23 0.42 0.11 0.00 0.00 0.00 178.15 178.90 1unk h LYS 73 N 0.19 0.74 -0.39 2.37 1.57 -1.08 -0.21 116.57 119.77 1unk h LYS 73 Ca 0.07 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1unk h LYS 73 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1unk h LYS 73 CO 0.00 0.49 -0.06 0.93 -0.57 0.00 0.00 179.45 180.24 1unk h GLU 74 N 0.77 0.74 -0.19 3.15 5.08 -1.33 -1.24 114.58 121.56 1unk h GLU 74 Ca 0.33 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1unk h GLU 74 Cb 0.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1unk h GLU 74 CO -0.19 0.86 -0.34 2.35 -1.00 0.00 0.00 179.01 180.69 1unk h TRP 75 N 0.55 0.45 -0.30 4.33 7.01 -0.80 -0.76 115.95 126.43 1unk h TRP 75 Ca 0.10 -0.11 -0.15 0.00 2.11 0.00 0.00 58.89 60.84 1unk h TRP 75 Cb 0.57 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 1unk h TRP 75 CO 0.05 0.69 -0.43 0.00 -2.79 0.00 0.00 178.44 175.95 1unk h ARG 76 N 0.33 0.75 -0.06 2.65 3.08 -0.86 -2.16 114.38 118.12 1unk h ARG 76 Ca 0.04 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 1unk h ARG 76 Cb 0.76 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1unk h ARG 76 CO 0.06 1.03 -0.08 0.00 -1.07 0.00 0.00 179.97 179.91 1unk h ALA 77 N 0.91 0.09 -0.95 0.04 0.00 -1.10 0.63 119.26 118.88 1unk h ALA 77 Ca 0.04 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1unk h ALA 77 Cb 0.99 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1unk h ALA 77 CO 0.09 -0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.87 1unk h ALA 78 N 0.52 1.87 -0.48 0.00 0.00 -1.09 0.22 119.26 120.31 1unk h ALA 78 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1unk h ALA 78 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1unk h ALA 78 CO 0.02 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.18 1unk n ASN 79 N -4.62 3.57 -3.36 0.00 3.02 -0.82 -4.94 115.26 108.11 1unk n ASN 79 Ca 0.20 -2.31 -0.24 0.00 -0.03 0.00 0.00 54.58 52.20 1unk n ASN 79 Cb 0.58 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1unk n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1unk n GLY 80 N 0.93 -0.50 3.74 7.41 0.00 0.77 -4.98 105.19 112.56 1unk n GLY 80 Ca 0.19 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1unk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1unk s LYS 81 N -6.03 2.70 0.51 1.61 1.02 0.16 -5.02 119.74 114.69 1unk s LYS 81 Ca 0.42 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 1unk s LYS 81 Cb -0.21 -2.55 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1unk s LYS 81 CO 0.51 0.49 1.27 -1.25 -0.92 0.00 0.00 175.35 175.45 1unk s PRO 82 N -2.89 3.38 0.00 -1.68 0.04 -1.26 -4.31 135.00 128.27 1unk s PRO 82 Ca 0.29 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1unk s PRO 82 Cb -0.10 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1unk s PRO 82 CO 0.21 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1unk n GLY 83 N 0.60 1.82 2.11 0.56 0.00 -1.26 -4.79 105.19 104.22 1unk n GLY 83 Ca 0.09 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1unk n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1unk n PHE 84 N 0.00 -3.55 -2.60 1.61 3.72 -1.26 -3.54 117.46 111.83 1unk n PHE 84 Ca 0.00 -0.60 -0.43 0.00 -0.05 0.00 0.00 57.45 56.37 1unk n PHE 84 Cb 0.00 -0.68 -0.02 0.00 -0.94 0.00 0.00 39.48 37.84 1unk n PHE 84 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1unk s LYS 85 N -4.50 3.88 -0.03 -1.08 2.20 0.35 -4.80 119.74 115.77 1unk s LYS 85 Ca 0.43 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1unk s LYS 85 Cb -0.04 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1unk s LYS 85 CO 0.33 -1.17 1.43 -0.65 -0.36 0.00 0.00 175.35 174.93 1unk s GLN 86 N 4.11 4.26 0.00 4.03 -0.21 -1.26 -4.34 119.66 126.25 1unk s GLN 86 Ca 0.48 1.98 0.00 0.00 0.02 0.00 0.00 55.36 57.83 1unk s GLN 86 Cb -0.10 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.25 1unk s GLN 86 CO 0.24 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 173.18