#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u s ASN 2 N 0.00 1.41 -0.01 7.83 -0.87 -1.26 -5.02 114.94 117.02 1r2u s ASN 2 Ca 0.00 -0.22 0.14 0.00 -1.57 0.00 0.00 52.86 51.21 1r2u s ASN 2 Cb 0.00 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.25 40.67 1r2u s ASN 2 CO 0.00 0.08 0.51 -0.90 -2.57 0.00 0.00 177.10 174.22 1r2u n ASP 3 N 3.28 0.95 0.11 -1.22 5.75 -1.26 -4.42 116.55 119.74 1r2u n ASP 3 Ca -0.18 -0.60 0.03 0.00 -0.01 0.00 0.00 54.79 54.03 1r2u n ASP 3 Cb 0.54 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.81 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r2u h ILE 4 N 0.00 0.66 -0.31 2.12 -0.00 -1.94 -3.04 117.51 115.00 1r2u h ILE 4 Ca 0.00 -2.00 -0.02 0.00 -0.00 0.00 0.00 64.86 62.84 1r2u h ILE 4 Cb 0.42 2.23 -0.02 0.00 -0.00 0.00 0.00 36.82 39.45 1r2u h ILE 4 CO 0.00 0.37 0.11 1.88 -0.00 0.00 0.00 178.15 180.51 1r2u h TYR 5 N 0.00 0.43 0.22 0.16 -1.99 -1.89 0.51 116.97 114.40 1r2u h TYR 5 Ca -0.05 -0.01 -0.33 0.00 2.00 0.00 0.00 58.73 60.35 1r2u h TYR 5 Cb 1.39 -0.14 0.03 0.00 2.00 0.00 0.00 36.73 40.02 1r2u h TYR 5 CO 0.00 0.36 -1.42 0.87 -0.00 0.00 0.00 178.16 177.97 1r2u h LYS 6 N 0.44 0.54 0.00 4.88 1.79 -1.81 -2.36 116.57 120.04 1r2u h LYS 6 Ca 0.11 -0.87 -0.08 0.00 -2.18 0.00 0.00 60.65 57.63 1r2u h LYS 6 Cb 0.12 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1r2u h LYS 6 CO -0.01 1.41 -0.37 0.00 -1.08 0.00 0.00 179.45 179.40 1r2u h ALA 7 N 0.22 1.33 0.02 3.86 0.00 -1.28 -2.99 119.26 120.43 1r2u h ALA 7 Ca -0.23 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 1r2u h ALA 7 Cb 2.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 1r2u h ALA 7 CO 0.26 0.46 -1.21 0.00 0.00 0.00 0.00 179.25 178.77 1r2u h ALA 8 N 1.63 0.42 -0.43 0.00 0.00 -0.03 -3.31 119.26 117.53 1r2u h ALA 8 Ca -0.00 -1.04 0.10 0.00 0.00 0.00 0.00 54.91 53.96 1r2u h ALA 8 Cb 0.68 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1r2u h ALA 8 CO 0.05 1.30 0.30 -0.24 0.00 0.00 0.00 179.25 180.66 1r2u h VAL 9 N 0.01 0.85 0.00 0.00 3.04 -1.26 0.13 116.25 119.02 1r2u h VAL 9 Ca -0.10 -0.05 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1r2u h VAL 9 Cb 1.86 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 1r2u h VAL 9 CO 0.13 0.03 -0.31 -0.33 -1.01 0.00 0.00 177.57 176.07 1r2u h GLU 10 N 0.14 0.00 0.23 4.17 4.39 -1.65 -3.00 114.58 118.86 1r2u h GLU 10 Ca 0.20 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.57 1r2u h GLU 10 Cb 0.62 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1r2u h GLU 10 CO -0.03 0.31 -1.53 1.96 -1.16 0.00 0.00 179.01 178.57 1r2u h GLN 11 N 0.00 0.49 -7.51 2.33 1.08 -0.96 -3.46 115.11 107.08 1r2u h GLN 11 Ca -0.00 -0.84 -0.46 0.00 -1.45 0.00 0.00 58.65 55.90 1r2u h GLN 11 Cb 0.61 0.31 0.13 0.00 -0.05 0.00 0.00 27.48 28.49 1r2u h GLN 11 CO 0.04 1.40 0.31 -0.51 -0.95 0.00 0.00 178.83 179.13 1r2u s LEU 12 N -7.53 2.06 0.37 1.46 1.43 -0.66 -5.09 118.68 110.72 1r2u s LEU 12 Ca -0.11 0.93 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 1r2u s LEU 12 Cb 0.04 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1r2u s LEU 12 CO 0.92 -2.50 0.07 0.42 0.23 0.00 0.00 176.35 175.49 1r2u s THR 13 N -3.32 1.03 0.48 5.49 -4.23 -1.26 -4.92 115.64 108.92 1r2u s THR 13 Ca 0.64 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1r2u s THR 13 Cb -0.14 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.33 1r2u s THR 13 CO 0.53 0.00 2.07 -0.78 -0.54 0.00 0.00 174.62 175.90 1r2u h ASP 14 N 1.92 0.00 -1.00 3.99 3.58 -1.98 -2.30 116.42 120.63 1r2u h ASP 14 Ca -0.39 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.13 1r2u h ASP 14 Cb 1.26 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.24 1r2u h ASP 14 CO 0.66 0.10 0.64 -0.33 -2.88 0.00 0.00 179.24 177.43 1r2u h GLU 15 N 0.00 1.11 -0.42 0.28 3.07 -1.98 0.21 114.58 116.85 1r2u h GLU 15 Ca -0.00 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1r2u h GLU 15 Cb 0.17 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1r2u h GLU 15 CO 0.01 0.74 0.20 -0.56 -1.40 0.00 0.00 179.01 178.00 1r2u h GLN 16 N 1.15 0.59 0.00 2.33 -0.00 -1.82 -0.38 115.11 116.97 1r2u h GLN 16 Ca 0.44 -0.06 -0.19 0.00 -0.00 0.00 0.00 58.65 58.83 1r2u h GLN 16 Cb 0.20 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.48 27.54 1r2u h GLN 16 CO -0.18 0.46 -0.94 0.87 -0.00 0.00 0.00 178.83 179.04 1r2u h LYS 17 N 0.59 0.00 -0.26 0.06 6.56 -1.26 -2.47 116.57 119.79 1r2u h LYS 17 Ca 0.15 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.71 1r2u h LYS 17 Cb 0.07 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1r2u h LYS 17 CO -0.02 0.87 0.04 -0.91 -2.06 0.00 0.00 179.45 177.36 1r2u h ASN 18 N 0.00 0.42 -0.34 0.86 2.35 0.34 0.38 115.58 119.59 1r2u h ASN 18 Ca -0.02 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1r2u h ASN 18 Cb 1.70 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.95 1r2u h ASN 18 CO 0.11 0.57 -0.00 -0.33 -1.65 0.00 0.00 177.43 176.13 1r2u h GLU 19 N 0.24 0.61 -0.91 0.81 5.08 -1.18 -1.43 114.58 117.80 1r2u h GLU 19 Ca 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 19 Cb 0.34 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1r2u h GLU 19 CO 0.01 0.73 0.52 0.74 -1.00 0.00 0.00 179.01 180.01 1r2u h PHE 20 N 0.41 1.22 -0.41 4.33 -1.00 -1.31 0.18 116.94 120.36 1r2u h PHE 20 Ca 0.10 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1r2u h PHE 20 Cb 0.46 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 1r2u h PHE 20 CO 0.04 0.83 0.09 -0.22 -1.61 0.00 0.00 178.31 177.44 1r2u h LYS 21 N 1.26 0.67 -0.37 1.51 1.63 -0.05 0.38 116.57 121.60 1r2u h LYS 21 Ca 0.32 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1r2u h LYS 21 Cb -0.02 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1r2u h LYS 21 CO -0.06 0.69 -0.00 0.00 -3.45 0.00 0.00 179.45 176.63 1r2u h ALA 22 N 0.95 0.49 0.00 5.00 0.00 -0.91 0.30 119.26 125.10 1r2u h ALA 22 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r2u h ALA 22 CO 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 1r2u h ALA 23 N 0.87 1.38 0.00 0.00 0.00 -0.52 -1.72 119.26 119.28 1r2u h ALA 23 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1r2u h ALA 23 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r2u h ALA 23 CO 0.02 0.13 -0.28 0.35 0.00 0.00 0.00 179.25 179.46 1r2u h PHE 24 N 0.00 0.00 -0.85 0.00 3.57 -0.42 -3.35 116.94 115.89 1r2u h PHE 24 Ca -0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1r2u h PHE 24 Cb 0.27 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 1r2u h PHE 24 CO 0.00 0.53 0.42 -0.44 -2.23 0.00 0.00 178.31 176.59 1r2u h ASP 25 N -1.00 0.48 -0.76 0.41 5.19 -0.31 0.84 116.42 121.27 1r2u h ASP 25 Ca -0.05 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.56 1r2u h ASP 25 Cb 0.59 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.08 1r2u h ASP 25 CO -0.03 0.18 0.50 0.16 -3.12 0.00 0.00 179.24 176.93 1r2u h ILE 26 N 0.58 0.93 0.00 0.35 3.07 -1.48 -0.99 117.51 119.97 1r2u h ILE 26 Ca 0.47 -0.23 -0.20 0.00 1.55 0.00 0.00 64.86 66.46 1r2u h ILE 26 Cb 0.71 0.21 -0.03 0.00 -0.27 0.00 0.00 36.82 37.44 1r2u h ILE 26 CO -0.39 0.12 -1.16 -0.26 -1.05 0.00 0.00 178.15 175.41 1r2u h PHE 27 N 0.67 0.00 -0.64 0.16 -1.00 -1.20 -3.31 116.94 111.61 1r2u h PHE 27 Ca 0.35 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.79 1r2u h PHE 27 Cb 0.48 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 39.84 1r2u h PHE 27 CO -0.00 0.80 0.43 -0.89 -1.61 0.00 0.00 178.31 177.04 1r2u n ILE 28 N -3.14 2.44 0.08 -0.55 2.08 0.11 -4.35 119.36 116.03 1r2u n ILE 28 Ca -0.06 -1.26 -0.00 0.00 0.56 0.00 0.00 62.75 61.98 1r2u n ILE 28 Cb 0.90 -0.68 0.29 0.00 -0.75 0.00 0.00 39.64 39.40 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 0.68 0.32 -0.09 0.38 3.07 -1.49 -3.36 115.11 114.61 1r2u h GLN 29 Ca 0.41 -0.10 -0.22 0.00 0.09 0.00 0.00 58.65 58.83 1r2u h GLN 29 Cb 2.16 -0.03 -0.18 0.00 0.08 0.00 0.00 27.48 29.52 1r2u h GLN 29 CO 0.73 0.53 -0.42 -3.47 0.09 0.00 0.00 178.83 176.29 1r2u n ASP 30 N -4.17 -1.43 -4.80 0.06 2.03 -1.26 -5.14 116.55 101.84 1r2u n ASP 30 Ca -0.01 -2.41 -0.34 0.00 0.52 0.00 0.00 54.79 52.56 1r2u n ASP 30 Cb 0.36 0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 41.50 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -0.20 2.84 0.17 -1.67 0.00 -1.26 -4.97 121.76 116.67 1r2u s ALA 31 Ca 0.19 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.67 1r2u s ALA 31 Cb 0.41 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 20.32 1r2u s ALA 31 CO -0.09 -0.41 1.50 1.05 0.00 0.00 0.00 175.76 177.80 1r2u h GLU 32 N 1.36 0.76 -0.14 0.00 4.11 -1.96 -3.25 114.58 115.47 1r2u h GLU 32 Ca -0.49 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 58.51 1r2u h GLU 32 Cb 1.22 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1r2u h GLU 32 CO 0.59 1.06 0.00 -3.47 0.07 0.00 0.00 179.01 177.25 1r2u n ASP 33 N -4.02 2.88 -2.31 3.06 2.03 -1.26 -4.96 116.55 111.97 1r2u n ASP 33 Ca -0.03 -2.72 -0.19 0.00 0.52 0.00 0.00 54.79 52.37 1r2u n ASP 33 Cb 0.57 -0.37 0.01 0.00 -0.72 0.00 0.00 41.12 40.61 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r2u n GLY 34 N -0.69 -0.39 3.38 0.27 0.00 -1.23 -4.98 105.19 101.57 1r2u n GLY 34 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.29 2.09 0.01 0.00 -5.25 -0.96 -4.76 121.20 109.04 1r2u s ILE 36 Ca 0.36 -1.12 -0.14 0.00 -0.99 0.00 0.00 60.65 58.76 1r2u s ILE 36 Cb 0.01 -2.21 -0.06 0.00 2.95 0.00 0.00 42.46 43.16 1r2u s ILE 36 CO 0.23 0.00 0.40 -0.55 -1.79 0.00 0.00 174.94 173.23 1r2u s SER 37 N -4.55 6.77 0.28 4.36 0.15 -1.26 -0.28 113.70 119.17 1r2u s SER 37 Ca 0.55 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1r2u s SER 37 Cb -0.05 -2.23 0.52 0.00 -1.71 0.00 0.00 66.02 62.54 1r2u s SER 37 CO 0.34 0.31 1.86 0.71 1.20 0.00 0.00 173.24 177.66 1r2u h THR 38 N 3.60 0.98 0.00 6.45 1.35 -1.86 0.29 112.91 123.72 1r2u h THR 38 Ca -0.51 -0.36 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 1r2u h THR 38 Cb 1.22 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1r2u h THR 38 CO 0.62 0.19 -0.36 0.11 -0.25 0.00 0.00 175.52 175.83 1r2u h LYS 39 N 1.05 0.00 -0.03 4.72 6.56 -1.94 -3.02 116.57 123.91 1r2u h LYS 39 Ca 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1r2u h LYS 39 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1r2u h LYS 39 CO -0.22 0.36 0.00 -1.91 -2.06 0.00 0.00 179.45 175.61 1r2u n GLU 40 N -3.37 1.13 -0.31 3.15 4.07 0.07 -3.96 120.64 121.41 1r2u n GLU 40 Ca 0.01 -0.19 -0.01 0.00 -0.06 0.00 0.00 57.16 56.90 1r2u n GLU 40 Cb 0.56 -1.26 0.11 0.00 -0.06 0.00 0.00 31.44 30.79 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1r2u h LEU 41 N 0.37 0.88 -2.63 4.31 7.12 -1.36 -0.57 115.31 123.44 1r2u h LEU 41 Ca 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1r2u h LEU 41 Cb 0.08 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1r2u h LEU 41 CO 0.00 0.60 0.03 1.23 -0.13 0.00 0.00 178.44 180.17 1r2u h GLY 42 N 1.04 0.00 0.55 3.75 0.00 -1.84 -1.68 103.07 104.88 1r2u h GLY 42 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.46 1r2u h GLY 42 CO -0.12 0.00 -0.99 1.70 0.00 0.00 0.00 176.54 177.12 1r2u h LYS 43 N 0.00 0.24 -0.62 4.80 1.63 -1.39 -3.07 116.57 118.15 1r2u h LYS 43 Ca 0.01 -0.41 -0.07 0.00 -0.85 0.00 0.00 60.65 59.33 1r2u h LYS 43 Cb 0.06 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1r2u h LYS 43 CO -0.00 1.20 0.13 -0.39 -3.45 0.00 0.00 179.45 176.93 1r2u h VAL 44 N -0.43 1.25 -0.21 2.00 -1.51 -0.99 -2.59 116.25 113.77 1r2u h VAL 44 Ca -0.20 -0.95 -0.10 0.00 -1.23 0.00 0.00 66.70 64.22 1r2u h VAL 44 Cb 1.62 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1r2u h VAL 44 CO 0.09 0.36 -0.31 0.24 -1.23 0.00 0.00 177.57 176.71 1r2u h MET 45 N 0.94 0.42 -0.89 5.19 2.86 -1.46 -2.67 114.93 119.32 1r2u h MET 45 Ca 0.20 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1r2u h MET 45 Cb 0.37 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1r2u h MET 45 CO 0.01 0.69 0.57 0.00 1.06 0.00 0.00 176.91 179.23 1r2u h ARG 46 N 0.37 1.19 -0.49 1.72 3.08 -1.36 -0.74 114.38 118.15 1r2u h ARG 46 Ca 0.05 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1r2u h ARG 46 Cb 0.73 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1r2u h ARG 46 CO 0.06 0.81 -0.06 1.98 -1.07 0.00 0.00 179.97 181.69 1r2u h MET 47 N 1.22 0.86 -0.15 0.04 4.05 -1.25 -3.06 114.93 116.64 1r2u h MET 47 Ca 0.32 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1r2u h MET 47 Cb -0.10 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1r2u h MET 47 CO -0.07 0.90 0.06 1.25 0.23 0.00 0.00 176.91 179.28 1r2u h LEU 48 N 0.79 0.21 0.00 3.39 7.12 -1.04 -3.47 115.31 122.31 1r2u h LEU 48 Ca 0.14 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1r2u h LEU 48 Cb 0.56 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1r2u h LEU 48 CO 0.03 0.33 0.00 0.61 -0.13 0.00 0.00 178.44 179.29 1r2u n GLY 49 N -0.66 -0.12 3.19 3.75 0.00 -0.35 -5.12 105.19 105.87 1r2u n GLY 49 Ca -0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 0.75 -0.43 1.61 -0.21 -0.84 -5.00 119.66 115.54 1r2u s GLN 50 Ca 0.00 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 54.66 1r2u s GLN 50 Cb 0.00 0.31 0.25 0.00 1.00 0.00 0.00 33.01 34.57 1r2u s GLN 50 CO 0.00 -0.22 0.66 -1.71 -2.12 0.00 0.00 175.29 171.90 1r2u n ASN 51 N 0.36 -0.91 -2.13 5.90 5.15 -1.26 -3.78 115.26 118.59 1r2u n ASN 51 Ca -0.17 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 1r2u n ASN 51 Cb 0.60 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 40.11 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r2u n PRO 52 N 1.44 0.54 -3.59 1.20 -0.04 -1.26 -5.11 135.00 128.18 1r2u n PRO 52 Ca 0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 1r2u n PRO 52 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.32 3.63 0.25 0.52 -4.23 -1.26 -4.97 115.64 109.26 1r2u s THR 53 Ca 0.00 -1.19 0.21 0.00 -1.18 0.00 0.00 61.69 59.53 1r2u s THR 53 Cb 0.00 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.78 1r2u s THR 53 CO 0.00 -0.14 1.84 1.55 -0.54 0.00 0.00 174.62 177.33 1r2u h PRO 54 N 1.04 0.00 0.09 3.99 0.13 -1.99 -1.61 132.00 133.66 1r2u h PRO 54 Ca -0.44 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.55 0.29 -1.41 0.93 -0.23 0.00 0.00 178.00 178.13 1r2u h GLU 55 N 0.00 0.19 0.32 0.86 5.08 -1.99 -2.91 114.58 116.13 1r2u h GLU 55 Ca -0.00 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1r2u h GLU 55 Cb 0.70 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1r2u h GLU 55 CO 0.04 1.06 -0.15 0.93 -1.00 0.00 0.00 179.01 179.89 1r2u h GLU 56 N 0.05 -0.41 -0.06 2.33 4.39 -1.91 -3.16 114.58 115.81 1r2u h GLU 56 Ca -0.19 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1r2u h GLU 56 Cb 1.97 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1r2u h GLU 56 CO 0.16 -0.08 -0.00 1.37 -1.16 0.00 0.00 179.01 179.29 1r2u h LEU 57 N -0.93 0.07 -0.38 1.33 8.10 -1.46 -2.62 115.31 119.41 1r2u h LEU 57 Ca -0.04 -0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.00 1r2u h LEU 57 Cb 0.51 -0.02 -0.05 0.00 -0.44 0.00 0.00 40.66 40.67 1r2u h LEU 57 CO 0.07 0.09 0.07 -0.61 -4.11 0.00 0.00 178.44 173.94 1r2u h GLN 58 N 0.08 0.19 -0.88 0.17 -0.00 -1.51 -1.16 115.11 111.99 1r2u h GLN 58 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1r2u h GLN 58 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.45 1r2u h GLN 58 CO 0.00 0.12 0.52 0.93 0.00 0.00 0.00 178.83 180.40 1r2u h GLU 59 N 0.19 1.20 -0.64 1.69 5.08 -1.43 -2.63 114.58 118.03 1r2u h GLU 59 Ca 0.18 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1r2u h GLU 59 Cb 0.22 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1r2u h GLU 59 CO -0.24 0.85 0.33 0.52 -1.00 0.00 0.00 179.01 179.47 1r2u h MET 60 N 1.22 0.91 0.00 2.33 2.86 -1.34 -1.33 114.93 119.57 1r2u h MET 60 Ca 0.31 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1r2u h MET 60 Cb -0.03 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.46 1r2u h MET 60 CO -0.06 0.71 0.00 -0.89 1.06 0.00 0.00 176.91 177.73 1r2u n ILE 61 N -4.51 0.00 -0.20 -1.22 5.41 -0.51 -1.69 119.36 116.64 1r2u n ILE 61 Ca 0.05 1.47 0.20 0.00 1.00 0.00 0.00 62.75 65.47 1r2u n ILE 61 Cb 0.11 -2.36 0.56 0.00 -0.71 0.00 0.00 39.64 37.24 1r2u n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1r2u h ASP 62 N 0.00 0.30 -0.62 4.38 3.58 -1.58 0.22 116.42 122.70 1r2u h ASP 62 Ca 0.00 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1r2u h ASP 62 Cb 0.00 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1r2u h ASP 62 CO 0.00 0.13 0.39 -0.33 -2.88 0.00 0.00 179.24 176.55 1r2u h GLU 63 N 0.31 0.76 0.00 0.28 4.39 -0.96 -2.81 114.58 116.54 1r2u h GLU 63 Ca 0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1r2u h GLU 63 Cb 1.18 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1r2u h GLU 63 CO -0.12 0.50 -0.89 1.33 -1.16 0.00 0.00 179.01 178.67 1r2u n VAL 64 N -4.70 0.39 -2.13 3.13 0.24 -0.33 -4.72 118.33 110.22 1r2u n VAL 64 Ca 0.05 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.34 61.69 1r2u n VAL 64 Cb 0.06 -0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 1r2u n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r2u s ASP 65 N -4.55 5.30 0.44 -1.34 2.15 0.62 -4.64 116.67 114.64 1r2u s ASP 65 Ca 0.03 -1.43 0.26 0.00 0.43 0.00 0.00 52.55 51.84 1r2u s ASP 65 Cb 0.12 -2.58 0.67 0.00 -0.30 0.00 0.00 42.92 40.83 1r2u s ASP 65 CO 0.77 -2.73 1.72 -0.33 -0.17 0.00 0.00 175.17 174.43 1r2u h GLU 66 N 10.00 0.00 0.03 4.34 5.08 -1.84 -3.31 114.58 128.88 1r2u h GLU 66 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1r2u h GLU 66 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1r2u h GLU 66 CO 1.25 0.00 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.50 1r2u h ASP 67 N 0.00 0.10 -1.29 1.42 3.32 -1.95 -3.48 116.42 114.55 1r2u h ASP 67 Ca 0.00 -0.94 -0.07 0.00 0.02 0.00 0.00 57.03 56.04 1r2u h ASP 67 Cb 0.83 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1r2u h ASP 67 CO 0.00 1.14 -0.11 0.61 -1.72 0.00 0.00 179.24 179.17 1r2u n GLY 68 N 1.61 0.49 0.10 2.75 0.00 -1.25 -4.98 105.19 103.92 1r2u n GLY 68 Ca -0.13 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N 0.96 1.87 0.00 1.61 3.41 -1.26 -5.03 113.62 115.18 1r2u n SER 69 Ca -0.02 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1r2u n SER 69 Cb 0.52 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.43 1.15 3.80 5.00 0.00 -1.26 -5.14 105.19 110.18 1r2u n GLY 70 Ca -0.31 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 4.62 -0.29 2.61 -4.23 -1.26 -2.86 115.64 114.23 1r2u s THR 71 Ca 0.00 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.55 1r2u s THR 71 Cb 0.00 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1r2u s THR 71 CO 0.00 0.04 0.25 -0.69 -0.54 0.00 0.00 174.62 173.68 1r2u s VAL 72 N -1.53 5.27 0.78 2.29 1.01 0.61 -4.87 120.40 123.96 1r2u s VAL 72 Ca 0.30 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 1r2u s VAL 72 Cb -0.11 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1r2u s VAL 72 CO 0.23 0.18 1.10 -1.81 0.00 0.00 0.00 175.10 174.81 1r2u s ASP 73 N 1.73 4.30 0.34 3.32 1.11 -1.26 -2.26 116.67 123.95 1r2u s ASP 73 Ca 0.09 0.31 0.08 0.00 0.18 0.00 0.00 52.55 53.21 1r2u s ASP 73 Cb -0.16 -0.75 0.63 0.00 1.07 0.00 0.00 42.92 43.71 1r2u s ASP 73 CO 0.11 -1.95 1.82 0.15 1.18 0.00 0.00 175.17 176.48 1r2u h PHE 74 N -0.89 0.27 -0.41 4.23 3.57 -1.97 0.20 116.94 121.94 1r2u h PHE 74 Ca -0.43 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 1r2u h PHE 74 Cb 1.29 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1r2u h PHE 74 CO -0.12 0.49 0.02 -0.44 -2.23 0.00 0.00 178.31 176.03 1r2u h ASP 75 N 0.23 0.61 1.32 0.41 5.19 -1.99 0.19 116.42 122.38 1r2u h ASP 75 Ca 0.04 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.24 1r2u h ASP 75 Cb 0.57 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1r2u h ASP 75 CO 0.04 0.67 -0.71 -0.33 -3.12 0.00 0.00 179.24 175.79 1r2u h GLU 76 N 0.62 0.00 0.02 3.56 5.08 -1.68 -2.99 114.58 119.18 1r2u h GLU 76 Ca 0.13 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 76 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1r2u h GLU 76 CO 0.01 0.26 -1.03 0.35 -1.00 0.00 0.00 179.01 177.60 1r2u h PHE 77 N 0.00 0.83 -0.04 4.33 3.57 0.08 -3.24 116.94 122.47 1r2u h PHE 77 Ca -0.04 -0.47 -0.11 0.00 3.53 0.00 0.00 57.97 60.88 1r2u h PHE 77 Cb 1.29 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1r2u h PHE 77 CO 0.00 1.30 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.89 1r2u h LEU 78 N 0.30 0.44 -2.09 0.59 3.38 -0.73 -3.24 115.31 113.95 1r2u h LEU 78 Ca -0.11 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.25 1r2u h LEU 78 Cb 1.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1r2u h LEU 78 CO 0.19 1.07 0.28 -0.37 0.09 0.00 0.00 178.44 179.70 1r2u h VAL 79 N -0.16 0.60 -1.13 1.22 -1.51 -1.64 -2.14 116.25 111.48 1r2u h VAL 79 Ca -0.04 0.00 0.32 0.00 -1.23 0.00 0.00 66.70 65.75 1r2u h VAL 79 Cb 1.10 0.79 -0.07 0.00 -2.13 0.00 0.00 31.29 30.98 1r2u h VAL 79 CO 0.08 0.00 0.78 0.24 -1.23 0.00 0.00 177.57 177.45 1r2u h MET 80 N 0.00 0.13 0.01 5.19 2.86 -1.58 0.42 114.93 121.96 1r2u h MET 80 Ca 0.15 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1r2u h MET 80 Cb 0.70 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1r2u h MET 80 CO -0.00 0.09 -0.00 0.52 1.06 0.00 0.00 176.91 178.57 1r2u h MET 81 N 0.14 -0.01 -0.16 1.72 2.07 -1.61 -3.34 114.93 113.75 1r2u h MET 81 Ca 0.58 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 58.09 1r2u h MET 81 Cb 2.00 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.72 1r2u h MET 81 CO -0.12 0.82 -0.43 -0.39 1.07 0.00 0.00 176.91 177.85 1r2u h VAL 82 N -0.86 1.31 -0.05 -2.22 -1.51 -1.39 -2.97 116.25 108.56 1r2u h VAL 82 Ca -0.00 -1.59 0.01 0.00 -1.23 0.00 0.00 66.70 63.89 1r2u h VAL 82 Cb 0.83 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 1r2u h VAL 82 CO 0.00 0.48 0.11 0.08 -1.23 0.00 0.00 177.57 177.02 1r2u h ARG 83 N 0.30 0.00 0.00 5.19 0.11 -0.34 -0.61 114.38 119.03 1r2u h ARG 83 Ca 0.02 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 1r2u h ARG 83 Cb 0.88 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.96 1r2u h ARG 83 CO 0.07 0.00 -0.16 0.00 0.10 0.00 0.00 179.97 179.98 1r2u h MET 85 N 0.00 1.04 0.00 0.00 2.86 -1.30 -3.46 114.93 114.07 1r2u h MET 85 Ca -0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1r2u h MET 85 Cb 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1r2u h MET 85 CO 0.02 1.07 0.00 1.63 1.06 0.00 0.00 176.91 180.69 1r2u n LYS 86 N -4.15 0.00 0.00 1.72 4.76 -0.94 -4.85 118.16 114.70 1r2u n LYS 86 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1r2u n LYS 86 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1r2u n ASP 87 N 2.97 0.00 -3.45 4.39 9.92 -1.26 -4.69 116.55 124.43 1r2u n ASP 87 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1r2u n ASP 87 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1r2u n ASP 87 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1r2u n ASP 88 N 1.76 -5.99 0.00 -2.24 8.00 -1.26 -5.22 116.55 111.59 1r2u n ASP 88 Ca 0.00 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1r2u n ASP 88 Cb 0.00 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.26 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61