#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 -0.92 -0.07 6.12 3.04 -1.26 -5.04 114.94 116.81 1r2u s ASN 2 Ca 0.00 1.45 0.11 0.00 0.04 0.00 0.00 52.86 54.46 1r2u s ASN 2 Cb 0.00 1.50 0.16 0.00 -1.54 0.00 0.00 41.25 41.37 1r2u s ASN 2 CO 0.00 -0.23 1.07 -0.90 -3.04 0.00 0.00 177.10 173.99 1r2u n ASP 3 N 4.55 2.02 0.10 -4.21 5.68 -1.26 -4.66 116.55 118.77 1r2u n ASP 3 Ca -0.19 -2.57 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 1r2u n ASP 3 Cb 0.57 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.27 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1r2u h ILE 4 N 0.49 0.86 -0.28 2.12 -0.00 -1.96 -3.01 117.51 115.73 1r2u h ILE 4 Ca 0.00 -2.31 -0.07 0.00 -0.00 0.00 0.00 64.86 62.48 1r2u h ILE 4 Cb 0.84 2.36 -0.02 0.00 -0.00 0.00 0.00 36.82 40.01 1r2u h ILE 4 CO 0.00 0.49 -0.12 1.88 -0.00 0.00 0.00 178.15 180.41 1r2u h TYR 5 N 0.00 0.51 0.19 0.16 0.05 -1.87 0.70 116.97 116.71 1r2u h TYR 5 Ca -0.06 -0.07 -0.31 0.00 0.05 0.00 0.00 58.73 58.34 1r2u h TYR 5 Cb 1.50 -0.14 0.03 0.00 1.01 0.00 0.00 36.73 39.13 1r2u h TYR 5 CO 0.00 0.58 -1.36 0.87 -1.05 0.00 0.00 178.16 177.20 1r2u h LYS 6 N 0.44 0.50 0.00 4.88 1.79 -1.89 -1.07 116.57 121.21 1r2u h LYS 6 Ca 0.08 -0.79 -0.09 0.00 -2.18 0.00 0.00 60.65 57.67 1r2u h LYS 6 Cb 0.47 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1r2u h LYS 6 CO 0.03 1.37 -0.45 0.00 -1.08 0.00 0.00 179.45 179.32 1r2u h ALA 7 N 0.30 0.89 0.14 3.86 0.00 -1.36 -3.25 119.26 119.85 1r2u h ALA 7 Ca -0.21 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 53.95 1r2u h ALA 7 Cb 2.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1r2u h ALA 7 CO 0.25 0.56 -1.76 0.00 0.00 0.00 0.00 179.25 178.30 1r2u h ALA 8 N 1.55 0.31 -0.57 0.00 0.00 0.37 -3.33 119.26 117.58 1r2u h ALA 8 Ca -0.00 -1.23 0.10 0.00 0.00 0.00 0.00 54.91 53.78 1r2u h ALA 8 Cb 1.05 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1r2u h ALA 8 CO 0.06 1.18 0.39 -0.24 0.00 0.00 0.00 179.25 180.63 1r2u h VAL 9 N 0.08 0.89 0.00 0.00 3.04 -1.24 0.18 116.25 119.20 1r2u h VAL 9 Ca -0.34 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 1r2u h VAL 9 Cb 2.06 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1r2u h VAL 9 CO 0.14 0.07 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.40 1r2u h GLU 10 N 0.37 0.00 0.14 4.17 5.08 -1.69 -3.26 114.58 119.38 1r2u h GLU 10 Ca 0.26 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 10 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1r2u h GLU 10 CO -0.07 0.04 -1.53 1.96 -1.00 0.00 0.00 179.01 178.41 1r2u h GLN 11 N 0.00 0.29 -7.30 2.33 1.08 -0.84 -3.47 115.11 107.19 1r2u h GLN 11 Ca -0.00 -0.49 -0.51 0.00 -1.45 0.00 0.00 58.65 56.20 1r2u h GLN 11 Cb 0.81 0.18 0.10 0.00 -0.05 0.00 0.00 27.48 28.53 1r2u h GLN 11 CO 0.01 1.23 0.35 -0.51 -0.95 0.00 0.00 178.83 178.96 1r2u s LEU 12 N -7.46 3.16 0.38 1.46 1.43 -0.24 -5.07 118.68 112.34 1r2u s LEU 12 Ca -0.19 1.73 0.08 0.00 -1.03 0.00 0.00 54.13 54.72 1r2u s LEU 12 Cb 0.05 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 1r2u s LEU 12 CO 0.79 -1.62 0.12 0.42 0.23 0.00 0.00 176.35 176.28 1r2u s THR 13 N -2.88 2.47 0.46 5.49 -4.23 -1.26 -4.92 115.64 110.76 1r2u s THR 13 Ca 0.60 -1.79 0.14 0.00 -1.18 0.00 0.00 61.69 59.46 1r2u s THR 13 Cb -0.16 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.95 1r2u s THR 13 CO 0.52 -0.08 2.03 -0.78 -0.54 0.00 0.00 174.62 175.77 1r2u h ASP 14 N 1.57 0.06 -0.50 3.99 3.58 -1.97 -2.53 116.42 120.61 1r2u h ASP 14 Ca -0.43 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.04 1r2u h ASP 14 Cb 1.25 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.25 1r2u h ASP 14 CO 0.69 0.17 0.29 -0.33 -2.88 0.00 0.00 179.24 177.18 1r2u h GLU 15 N 0.06 0.55 -0.46 0.28 3.07 -1.98 0.30 114.58 116.39 1r2u h GLU 15 Ca 0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1r2u h GLU 15 Cb 0.23 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1r2u h GLU 15 CO 0.01 0.36 0.23 1.96 -1.40 0.00 0.00 179.01 180.18 1r2u h GLN 16 N 0.57 0.65 -0.20 2.33 4.20 -1.87 -1.05 115.11 119.74 1r2u h GLN 16 Ca 0.21 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1r2u h GLN 16 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1r2u h GLN 16 CO -0.11 0.54 -0.24 0.87 -0.67 0.00 0.00 178.83 179.22 1r2u h LYS 17 N 0.60 0.37 -0.31 1.46 6.56 -1.34 -0.99 116.57 122.93 1r2u h LYS 17 Ca 0.16 -0.13 -0.03 0.00 -1.06 0.00 0.00 60.65 59.59 1r2u h LYS 17 Cb 0.09 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1r2u h LYS 17 CO -0.02 0.59 0.06 -0.97 -2.06 0.00 0.00 179.45 177.06 1r2u h ASN 18 N 0.33 0.48 -0.48 0.86 -1.24 0.04 -0.28 115.58 115.30 1r2u h ASN 18 Ca 0.05 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1r2u h ASN 18 Cb 0.61 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1r2u h ASN 18 CO 0.04 0.60 0.22 -0.33 -1.29 0.00 0.00 177.43 176.68 1r2u h GLU 19 N 0.34 0.69 -0.90 6.67 4.39 -0.98 -2.14 114.58 122.66 1r2u h GLU 19 Ca 0.10 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1r2u h GLU 19 Cb 0.32 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1r2u h GLU 19 CO 0.00 0.59 0.57 0.74 -1.16 0.00 0.00 179.01 179.75 1r2u h PHE 20 N 0.63 1.05 -0.24 4.33 -1.00 -0.96 0.31 116.94 121.05 1r2u h PHE 20 Ca 0.16 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1r2u h PHE 20 Cb 0.13 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 1r2u h PHE 20 CO -0.01 0.55 0.11 -0.22 -1.61 0.00 0.00 178.31 177.13 1r2u h LYS 21 N 1.04 0.36 -0.39 1.51 1.63 -0.63 0.37 116.57 120.46 1r2u h LYS 21 Ca 0.38 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.06 1r2u h LYS 21 Cb 0.14 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1r2u h LYS 21 CO -0.16 0.37 -0.03 0.00 -3.45 0.00 0.00 179.45 176.17 1r2u h ALA 22 N 0.97 0.53 0.00 5.00 0.00 -0.89 0.17 119.26 125.04 1r2u h ALA 22 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1r2u h ALA 22 Cb 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r2u h ALA 22 CO -0.01 0.34 -0.08 0.00 0.00 0.00 0.00 179.25 179.50 1r2u h ALA 23 N 0.87 1.29 0.00 0.00 0.00 -0.26 -1.90 119.26 119.26 1r2u h ALA 23 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1r2u h ALA 23 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1r2u h ALA 23 CO 0.03 0.10 -0.32 0.35 0.00 0.00 0.00 179.25 179.41 1r2u h PHE 24 N 0.00 0.00 -0.96 0.00 3.57 -0.50 -3.35 116.94 115.69 1r2u h PHE 24 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1r2u h PHE 24 Cb 0.25 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 1r2u h PHE 24 CO 0.00 0.68 0.61 0.22 -2.23 0.00 0.00 178.31 177.59 1r2u h ASP 25 N -1.00 0.73 0.06 0.41 3.58 -0.84 0.25 116.42 119.60 1r2u h ASP 25 Ca -0.07 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1r2u h ASP 25 Cb 0.71 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1r2u h ASP 25 CO -0.04 0.32 -0.06 0.16 -2.88 0.00 0.00 179.24 176.74 1r2u h ILE 26 N 0.74 1.00 0.00 2.25 3.07 -1.51 0.45 117.51 123.51 1r2u h ILE 26 Ca 0.52 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.72 1r2u h ILE 26 Cb 0.82 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1r2u h ILE 26 CO -0.28 0.06 -1.40 0.49 -1.05 0.00 0.00 178.15 175.96 1r2u n PHE 27 N -4.41 0.42 0.06 0.16 3.72 -0.10 -4.21 117.46 113.10 1r2u n PHE 27 Ca -0.03 0.12 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 1r2u n PHE 27 Cb 0.14 -0.65 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 1r2u n PHE 27 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1r2u h ILE 28 N 0.00 0.60 -0.70 4.37 1.08 -0.39 -3.23 117.51 119.23 1r2u h ILE 28 Ca 0.00 -2.05 0.14 0.00 -0.39 0.00 0.00 64.86 62.56 1r2u h ILE 28 Cb 0.93 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1r2u h ILE 28 CO 0.00 0.34 0.47 0.06 -0.69 0.00 0.00 178.15 178.33 1r2u h GLN 29 N 0.00 0.36 0.00 2.37 -0.00 -1.10 -0.02 115.11 116.72 1r2u h GLN 29 Ca -0.12 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.39 1r2u h GLN 29 Cb 1.52 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 28.90 1r2u h GLN 29 CO 0.05 0.24 -1.36 -0.40 -0.00 0.00 0.00 178.83 177.36 1r2u n ASP 30 N -4.46 0.79 -4.78 0.06 5.75 -1.25 -4.92 116.55 107.73 1r2u n ASP 30 Ca 0.13 0.34 -0.34 0.00 -0.01 0.00 0.00 54.79 54.91 1r2u n ASP 30 Cb 0.51 0.35 0.02 0.00 -1.03 0.00 0.00 41.12 40.96 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r2u s ALA 31 N -3.06 2.64 -0.22 2.12 0.00 -0.02 -4.99 121.76 118.23 1r2u s ALA 31 Ca -0.03 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.67 1r2u s ALA 31 Cb 0.09 -3.32 -0.21 0.00 0.00 0.00 0.00 23.12 19.68 1r2u s ALA 31 CO 0.81 -0.91 -0.03 0.39 0.00 0.00 0.00 175.76 176.02 1r2u n GLU 32 N -1.75 0.67 0.11 0.00 1.02 -1.26 -4.51 120.64 114.91 1r2u n GLU 32 Ca 0.11 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.12 1r2u n GLU 32 Cb 0.52 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 1r2u n GLU 32 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1r2u h ASP 33 N 0.01 0.86 0.00 1.62 3.32 -1.94 -3.48 116.42 116.80 1r2u h ASP 33 Ca -0.54 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 55.68 1r2u h ASP 33 Cb 2.05 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1r2u h ASP 33 CO -0.02 1.63 0.00 0.61 -1.72 0.00 0.00 179.24 179.74 1r2u n GLY 34 N 1.47 0.99 3.74 2.75 0.00 -1.26 -5.15 105.19 107.73 1r2u n GLY 34 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.55 2.27 0.36 0.00 -5.25 -0.40 -4.69 121.20 109.93 1r2u s ILE 36 Ca 0.17 -1.22 0.01 0.00 -0.99 0.00 0.00 60.65 58.62 1r2u s ILE 36 Cb -0.04 -2.49 -0.03 0.00 2.95 0.00 0.00 42.46 42.86 1r2u s ILE 36 CO 0.10 0.00 0.56 -0.55 -1.79 0.00 0.00 174.94 173.26 1r2u s SER 37 N -4.38 6.24 0.38 4.36 0.15 -1.26 0.24 113.70 119.43 1r2u s SER 37 Ca 0.50 0.42 0.05 0.00 0.70 0.00 0.00 55.95 57.63 1r2u s SER 37 Cb -0.05 -1.97 0.75 0.00 -1.71 0.00 0.00 66.02 63.04 1r2u s SER 37 CO 0.30 -0.34 2.00 0.71 1.20 0.00 0.00 173.24 177.11 1r2u h THR 38 N 0.72 1.14 -0.00 6.45 1.35 -1.92 -0.81 112.91 119.84 1r2u h THR 38 Ca -0.49 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1r2u h THR 38 Cb 1.22 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1r2u h THR 38 CO 0.61 0.16 -0.08 0.29 -0.25 0.00 0.00 175.52 176.25 1r2u n LYS 39 N -4.41 0.83 0.00 4.72 4.76 -1.26 -3.55 118.16 119.25 1r2u n LYS 39 Ca 0.03 -0.28 0.14 0.00 -2.87 0.00 0.00 58.31 55.33 1r2u n LYS 39 Cb 0.11 -1.49 0.62 0.00 -1.84 0.00 0.00 35.03 32.43 1r2u n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1r2u n GLU 40 N -0.84 0.53 -0.16 1.97 4.71 -0.31 -3.87 120.64 122.67 1r2u n GLU 40 Ca 0.16 -0.15 -0.09 0.00 -0.01 0.00 0.00 57.16 57.08 1r2u n GLU 40 Cb 0.26 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1r2u h LEU 41 N 0.36 0.65 -1.86 -4.62 5.85 -1.66 -1.85 115.31 112.18 1r2u h LEU 41 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1r2u h LEU 41 Cb 0.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1r2u h LEU 41 CO 0.00 0.67 0.00 1.23 -0.34 0.00 0.00 178.44 180.00 1r2u h GLY 42 N 0.59 0.00 1.23 3.75 0.00 -1.85 -2.16 103.07 104.63 1r2u h GLY 42 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.18 1r2u h GLY 42 CO -0.01 0.00 -1.54 0.50 0.00 0.00 0.00 176.54 175.49 1r2u h LYS 43 N 0.00 0.15 0.02 4.80 1.57 -1.56 -3.34 116.57 118.21 1r2u h LYS 43 Ca 0.00 -0.26 -0.20 0.00 -1.87 0.00 0.00 60.65 58.32 1r2u h LYS 43 Cb 0.18 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1r2u h LYS 43 CO 0.00 0.95 -0.93 -0.39 -0.57 0.00 0.00 179.45 178.51 1r2u h VAL 44 N 0.04 1.56 -0.70 0.50 -1.51 -0.89 -3.21 116.25 112.05 1r2u h VAL 44 Ca -0.23 -2.88 0.03 0.00 -1.23 0.00 0.00 66.70 62.39 1r2u h VAL 44 Cb 1.98 2.61 -0.04 0.00 -2.13 0.00 0.00 31.29 33.71 1r2u h VAL 44 CO 0.13 0.83 0.46 0.24 -1.23 0.00 0.00 177.57 178.00 1r2u h MET 45 N 0.06 0.84 -0.64 5.19 2.86 -1.54 0.37 114.93 122.05 1r2u h MET 45 Ca -0.04 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1r2u h MET 45 Cb 1.60 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 1r2u h MET 45 CO 0.13 0.55 0.25 0.00 1.06 0.00 0.00 176.91 178.91 1r2u h ARG 46 N 0.86 0.94 0.05 1.72 3.08 -1.53 0.37 114.38 119.87 1r2u h ARG 46 Ca 0.27 -0.15 -0.24 0.00 0.07 0.00 0.00 59.98 59.93 1r2u h ARG 46 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1r2u h ARG 46 CO -0.07 0.77 -1.03 0.52 -1.07 0.00 0.00 179.97 179.08 1r2u h MET 47 N 0.93 0.31 0.05 0.04 2.86 -1.35 -3.39 114.93 114.37 1r2u h MET 47 Ca 0.22 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1r2u h MET 47 Cb 0.18 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1r2u h MET 47 CO -0.02 1.11 -0.02 -0.07 1.06 0.00 0.00 176.91 178.97 1r2u h LEU 48 N 0.14 -0.05 0.00 1.22 3.38 -0.66 -3.49 115.31 115.85 1r2u h LEU 48 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r2u h LEU 48 Cb 1.70 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1r2u h LEU 48 CO 0.17 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1r2u n GLY 49 N 1.41 -0.60 3.43 0.83 0.00 0.61 -5.09 105.19 105.78 1r2u n GLY 49 Ca -0.01 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 1.25 -0.48 1.61 -0.21 0.98 -5.02 119.66 117.79 1r2u s GLN 50 Ca 0.00 -0.69 0.06 0.00 0.02 0.00 0.00 55.36 54.75 1r2u s GLN 50 Cb 0.00 0.53 0.21 0.00 1.00 0.00 0.00 33.01 34.75 1r2u s GLN 50 CO 0.00 -0.52 0.71 -1.71 -2.12 0.00 0.00 175.29 171.64 1r2u n ASN 51 N -0.31 -2.40 -2.13 5.90 2.85 -1.26 -2.94 115.26 114.97 1r2u n ASN 51 Ca -0.14 -2.95 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 1r2u n ASN 51 Cb 0.64 1.16 0.00 0.00 1.24 0.00 0.00 39.78 42.82 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 2.28 0.47 -3.12 1.20 -0.04 -1.26 -5.11 135.00 129.42 1r2u n PRO 52 Ca 0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.45 1r2u n PRO 52 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.41 2.83 0.29 0.52 -4.23 -1.26 -4.95 115.64 108.43 1r2u s THR 53 Ca 0.00 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.57 1r2u s THR 53 Cb 0.00 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1r2u s THR 53 CO 0.00 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.35 1r2u h PRO 54 N 0.66 0.00 0.06 3.99 0.13 -1.99 -1.62 132.00 133.23 1r2u h PRO 54 Ca -0.39 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1r2u h PRO 54 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1r2u h PRO 54 CO 0.47 0.48 -1.37 1.05 -0.23 0.00 0.00 178.00 178.40 1r2u h GLU 55 N 0.00 0.12 0.24 0.86 4.11 -1.99 -2.97 114.58 114.96 1r2u h GLU 55 Ca -0.00 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1r2u h GLU 55 Cb 0.90 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1r2u h GLU 55 CO 0.06 0.96 -0.12 1.49 0.07 0.00 0.00 179.01 181.48 1r2u h GLU 56 N 0.03 -0.31 -0.12 1.06 4.81 -1.93 -3.08 114.58 115.04 1r2u h GLU 56 Ca -0.17 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1r2u h GLU 56 Cb 1.93 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1r2u h GLU 56 CO 0.14 0.05 -0.02 1.37 -0.73 0.00 0.00 179.01 179.81 1r2u h LEU 57 N -0.76 0.16 -1.20 1.64 8.10 -1.45 -2.22 115.31 119.57 1r2u h LEU 57 Ca -0.03 -0.02 0.05 0.00 0.11 0.00 0.00 57.88 57.99 1r2u h LEU 57 Cb 0.50 -0.04 -0.05 0.00 -0.44 0.00 0.00 40.66 40.63 1r2u h LEU 57 CO 0.05 0.21 0.56 -0.61 -4.11 0.00 0.00 178.44 174.54 1r2u h GLN 58 N 0.17 0.97 -0.37 0.17 -0.00 -1.48 -1.89 115.11 112.69 1r2u h GLN 58 Ca 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1r2u h GLN 58 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 1r2u h GLN 58 CO 0.00 0.64 0.24 0.93 0.00 0.00 0.00 178.83 180.65 1r2u h GLU 59 N 1.00 0.48 -0.75 1.69 4.39 -1.31 -2.49 114.58 117.59 1r2u h GLU 59 Ca 0.35 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.05 1r2u h GLU 59 Cb 0.13 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1r2u h GLU 59 CO -0.12 0.32 0.48 0.52 -1.16 0.00 0.00 179.01 179.05 1r2u h MET 60 N 0.50 0.91 0.01 2.33 2.86 -1.40 -0.28 114.93 119.85 1r2u h MET 60 Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1r2u h MET 60 Cb -0.06 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.40 1r2u h MET 60 CO -0.03 0.60 -0.03 0.82 1.06 0.00 0.00 176.91 179.33 1r2u h ILE 61 N 0.94 0.00 -0.56 -1.22 1.08 -0.94 0.57 117.51 117.37 1r2u h ILE 61 Ca 0.30 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.84 1r2u h ILE 61 Cb -0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 1r2u h ILE 61 CO -0.10 0.00 0.37 0.44 -0.69 0.00 0.00 178.15 178.17 1r2u h ASP 62 N -0.04 0.41 -0.71 1.72 5.19 -1.48 0.24 116.42 121.74 1r2u h ASP 62 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1r2u h ASP 62 Cb 0.04 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 1r2u h ASP 62 CO -0.02 0.26 0.27 -0.33 -3.12 0.00 0.00 179.24 176.30 1r2u h GLU 63 N 0.46 1.09 -0.56 3.56 5.08 -0.60 -2.88 114.58 120.73 1r2u h GLU 63 Ca 0.25 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1r2u h GLU 63 Cb 0.38 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1r2u h GLU 63 CO -0.07 0.90 0.00 1.33 -1.00 0.00 0.00 179.01 180.18 1r2u n VAL 64 N -4.28 0.99 -2.58 3.13 0.24 0.15 -4.83 118.33 111.15 1r2u n VAL 64 Ca 0.06 -1.00 -0.43 0.00 -2.04 0.00 0.00 64.34 60.94 1r2u n VAL 64 Cb 0.20 0.50 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.00 6.77 0.25 -1.34 -1.08 0.77 -4.63 116.67 116.41 1r2u s ASP 65 Ca 0.38 -2.25 -0.04 0.00 -0.52 0.00 0.00 52.55 50.11 1r2u s ASP 65 Cb 0.20 -2.58 0.36 0.00 -1.46 0.00 0.00 42.92 39.44 1r2u s ASP 65 CO 0.26 -1.24 1.86 -0.33 0.52 0.00 0.00 175.17 176.24 1r2u h GLU 66 N 8.04 1.00 0.07 4.34 5.08 -1.88 -3.07 114.58 128.16 1r2u h GLU 66 Ca 0.39 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1r2u h GLU 66 Cb 0.90 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r2u h GLU 66 CO 1.45 0.66 -0.70 -0.44 -1.00 0.00 0.00 179.01 178.98 1r2u h ASP 67 N 1.03 0.23 -1.59 1.42 3.32 -1.94 -3.49 116.42 115.40 1r2u h ASP 67 Ca 0.39 -0.89 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 1r2u h ASP 67 Cb 0.18 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.67 1r2u h ASP 67 CO -0.18 1.31 -0.11 0.61 -1.72 0.00 0.00 179.24 179.15 1r2u n GLY 68 N 1.63 0.62 0.12 2.75 0.00 -1.16 -4.99 105.19 104.17 1r2u n GLY 68 Ca -0.17 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 0.84 1.91 0.00 1.61 3.41 -1.26 -5.03 113.62 115.10 1r2u n SER 69 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1r2u n SER 69 Cb 0.51 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.38 0.88 3.83 5.00 0.00 -1.26 -5.14 105.19 109.88 1r2u n GLY 70 Ca -0.42 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 4.79 -0.27 2.61 -4.23 -1.26 -3.23 115.64 114.05 1r2u s THR 71 Ca 0.00 -0.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1r2u s THR 71 Cb 0.00 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1r2u s THR 71 CO 0.00 0.07 0.10 -0.69 -0.54 0.00 0.00 174.62 173.56 1r2u s VAL 72 N -1.51 4.48 0.83 2.29 1.01 0.14 -4.89 120.40 122.75 1r2u s VAL 72 Ca 0.31 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1r2u s VAL 72 Cb -0.12 -3.14 0.15 0.00 0.00 0.00 0.00 36.38 33.27 1r2u s VAL 72 CO 0.24 0.27 1.15 -1.81 0.00 0.00 0.00 175.10 174.95 1r2u s ASP 73 N 1.63 3.84 0.34 3.32 1.01 -1.26 -1.28 116.67 124.27 1r2u s ASP 73 Ca 0.06 0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.41 1r2u s ASP 73 Cb -0.16 -0.30 0.63 0.00 1.01 0.00 0.00 42.92 44.10 1r2u s ASP 73 CO 0.05 -2.23 1.89 0.15 0.21 0.00 0.00 175.17 175.24 1r2u h PHE 74 N -1.06 0.53 -0.51 4.23 3.57 -1.98 0.20 116.94 121.92 1r2u h PHE 74 Ca -0.41 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 1r2u h PHE 74 Cb 1.26 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1r2u h PHE 74 CO -0.56 0.51 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.55 1r2u h ASP 75 N 0.50 0.91 1.36 0.41 5.19 -1.99 0.03 116.42 122.82 1r2u h ASP 75 Ca 0.11 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 1r2u h ASP 75 Cb 0.30 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1r2u h ASP 75 CO 0.01 1.02 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.63 1r2u h GLU 76 N 0.78 0.00 0.07 3.56 5.08 -1.70 -2.53 114.58 119.84 1r2u h GLU 76 Ca 0.14 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 76 Cb 0.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1r2u h GLU 76 CO 0.03 0.18 -0.74 0.35 -1.00 0.00 0.00 179.01 177.84 1r2u h PHE 77 N 0.00 0.61 -0.07 4.33 3.57 -0.18 -3.31 116.94 121.89 1r2u h PHE 77 Ca -0.00 -0.38 -0.17 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 77 Cb 0.91 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1r2u h PHE 77 CO 0.00 1.24 -0.71 -0.07 -2.23 0.00 0.00 178.31 176.54 1r2u h LEU 78 N -0.19 0.39 -2.13 0.59 3.38 -1.02 -3.16 115.31 113.18 1r2u h LEU 78 Ca -0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1r2u h LEU 78 Cb 1.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1r2u h LEU 78 CO 0.14 0.98 -0.00 -0.37 0.09 0.00 0.00 178.44 179.28 1r2u h VAL 79 N 0.23 0.87 -1.02 1.22 -1.51 -1.57 -2.50 116.25 111.97 1r2u h VAL 79 Ca -0.03 -0.01 0.26 0.00 -1.23 0.00 0.00 66.70 65.69 1r2u h VAL 79 Cb 1.28 1.01 -0.12 0.00 -2.13 0.00 0.00 31.29 31.32 1r2u h VAL 79 CO 0.12 0.00 0.61 0.24 -1.23 0.00 0.00 177.57 177.31 1r2u h MET 80 N 0.00 0.51 0.22 5.19 2.86 -1.64 0.61 114.93 122.69 1r2u h MET 80 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1r2u h MET 80 Cb 0.01 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1r2u h MET 80 CO 0.00 0.34 -0.11 0.52 1.06 0.00 0.00 176.91 178.72 1r2u h MET 81 N 0.53 -0.29 -0.56 1.72 2.07 -1.66 -3.28 114.93 113.46 1r2u h MET 81 Ca 0.65 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 58.29 1r2u h MET 81 Cb 1.32 0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 31.09 1r2u h MET 81 CO -0.45 0.07 0.31 -0.39 1.07 0.00 0.00 176.91 177.51 1r2u h VAL 82 N -0.92 1.17 -0.30 -2.22 -1.51 -1.49 -2.18 116.25 108.81 1r2u h VAL 82 Ca -0.03 -0.43 0.09 0.00 -1.23 0.00 0.00 66.70 65.10 1r2u h VAL 82 Cb 0.49 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1r2u h VAL 82 CO 0.05 0.19 0.24 0.03 -1.23 0.00 0.00 177.57 176.85 1r2u h ARG 83 N 0.78 0.00 0.00 5.19 2.47 0.13 0.38 114.38 123.32 1r2u h ARG 83 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1r2u h ARG 83 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1r2u h ARG 83 CO -0.03 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.50 1r2u h MET 85 N 0.00 -0.64 -6.55 0.00 -1.53 -1.07 -3.46 114.93 101.69 1r2u h MET 85 Ca 0.00 0.04 -0.39 0.00 -3.44 0.00 0.00 59.70 55.91 1r2u h MET 85 Cb 0.25 0.15 -0.10 0.00 -0.55 0.00 0.00 31.60 31.35 1r2u h MET 85 CO 0.00 -0.43 -0.62 0.36 0.14 0.00 0.00 176.91 176.36 1r2u n LYS 86 N -3.83 -0.84 -3.60 0.39 2.85 -1.23 -4.85 118.16 107.06 1r2u n LYS 86 Ca -0.08 -0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.80 1r2u n LYS 86 Cb 0.26 -1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 32.61 1r2u n LYS 86 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1r2u s ASP 87 N -3.93 6.11 -0.92 -5.58 -1.08 -1.26 -5.01 116.67 105.00 1r2u s ASP 87 Ca 0.09 -3.56 -0.24 0.00 -0.52 0.00 0.00 52.55 48.31 1r2u s ASP 87 Cb -0.05 -1.95 -0.02 0.00 -1.46 0.00 0.00 42.92 39.44 1r2u s ASP 87 CO 0.63 -0.23 1.80 -1.81 0.52 0.00 0.00 175.17 176.07 1r2u s ASP 88 N 0.24 5.53 0.00 -0.34 1.01 -1.26 -5.08 116.67 116.77 1r2u s ASP 88 Ca 0.26 -0.84 0.25 0.00 0.71 0.00 0.00 52.55 52.93 1r2u s ASP 88 Cb -0.09 -2.56 0.47 0.00 1.01 0.00 0.00 42.92 41.75 1r2u s ASP 88 CO -0.11 -2.38 1.42 -0.24 0.21 0.00 0.00 175.17 174.07