#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 0.80 0.00 3.17 3.84 -1.26 -5.04 114.94 116.44 1r2u s ASN 2 Ca 0.00 -0.77 0.24 0.00 0.21 0.00 0.00 52.86 52.54 1r2u s ASN 2 Cb 0.00 0.09 0.30 0.00 -0.55 0.00 0.00 41.25 41.09 1r2u s ASN 2 CO 0.00 -0.37 1.29 -0.67 -2.79 0.00 0.00 177.10 174.56 1r2u n ASP 3 N 0.76 2.07 0.23 -4.21 2.03 -1.26 -4.22 116.55 111.96 1r2u n ASP 3 Ca -0.18 -1.54 0.08 0.00 0.52 0.00 0.00 54.79 53.67 1r2u n ASP 3 Cb 0.58 0.23 0.57 0.00 -0.72 0.00 0.00 41.12 41.78 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r2u h ILE 4 N 2.85 0.86 -0.09 5.18 -0.00 -1.96 -1.80 117.51 122.54 1r2u h ILE 4 Ca 0.00 -0.78 -0.10 0.00 -0.00 0.00 0.00 64.86 63.98 1r2u h ILE 4 Cb 0.75 1.46 -0.01 0.00 -0.00 0.00 0.00 36.82 39.02 1r2u h ILE 4 CO 0.00 0.20 -0.38 1.88 -0.00 0.00 0.00 178.15 179.85 1r2u h TYR 5 N 0.00 0.22 0.13 0.16 0.05 -1.91 0.55 116.97 116.16 1r2u h TYR 5 Ca -0.00 -0.05 -0.29 0.00 0.05 0.00 0.00 58.73 58.44 1r2u h TYR 5 Cb 0.44 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 38.15 1r2u h TYR 5 CO 0.00 0.55 -1.24 0.87 -1.05 0.00 0.00 178.16 177.29 1r2u h LYS 6 N 0.16 0.48 0.00 4.88 1.79 -1.65 -1.48 116.57 120.76 1r2u h LYS 6 Ca 0.02 -0.69 -0.11 0.00 -2.18 0.00 0.00 60.65 57.69 1r2u h LYS 6 Cb 0.75 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 1r2u h LYS 6 CO 0.06 1.30 -0.51 0.00 -1.08 0.00 0.00 179.45 179.22 1r2u h ALA 7 N 0.42 0.81 0.04 3.86 0.00 -1.16 -3.22 119.26 120.02 1r2u h ALA 7 Ca -0.17 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.02 1r2u h ALA 7 Cb 1.92 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1r2u h ALA 7 CO 0.22 0.64 -1.28 0.00 0.00 0.00 0.00 179.25 178.83 1r2u h ALA 8 N 1.49 0.37 -0.54 0.00 0.00 0.09 -3.31 119.26 117.36 1r2u h ALA 8 Ca -0.01 -1.05 0.10 0.00 0.00 0.00 0.00 54.91 53.95 1r2u h ALA 8 Cb 1.17 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1r2u h ALA 8 CO 0.07 1.25 0.37 -0.24 0.00 0.00 0.00 179.25 180.69 1r2u h VAL 9 N 0.03 0.87 0.00 0.00 3.04 -1.27 0.23 116.25 119.14 1r2u h VAL 9 Ca -0.13 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1r2u h VAL 9 Cb 1.90 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1r2u h VAL 9 CO 0.14 0.05 0.00 -0.33 -1.01 0.00 0.00 177.57 176.42 1r2u h GLU 10 N 0.30 0.00 0.15 4.17 5.08 -1.67 -3.30 114.58 119.31 1r2u h GLU 10 Ca 0.25 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.27 1r2u h GLU 10 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1r2u h GLU 10 CO -0.06 0.00 -1.78 1.96 -1.00 0.00 0.00 179.01 178.13 1r2u h GLN 11 N 0.00 0.32 -6.76 2.33 4.20 -0.77 -3.46 115.11 110.97 1r2u h GLN 11 Ca 0.00 -0.55 -0.54 0.00 0.06 0.00 0.00 58.65 57.63 1r2u h GLN 11 Cb 0.96 0.20 0.08 0.00 0.30 0.00 0.00 27.48 29.02 1r2u h GLN 11 CO 0.00 1.26 0.89 1.28 -0.67 0.00 0.00 178.83 181.59 1r2u n LEU 12 N -3.62 4.23 -4.73 1.46 4.77 0.24 -5.00 117.00 114.34 1r2u n LEU 12 Ca -0.28 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.54 1r2u n LEU 12 Cb 1.03 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1r2u n LEU 12 CO 0.46 0.12 -0.22 0.42 -1.33 0.00 0.00 177.39 176.84 1r2u s THR 13 N 0.17 1.64 0.48 -5.08 -4.23 -1.26 -4.97 115.64 102.39 1r2u s THR 13 Ca 0.66 -1.90 0.17 0.00 -1.18 0.00 0.00 61.69 59.44 1r2u s THR 13 Cb -0.51 -2.54 0.23 0.00 1.34 0.00 0.00 72.50 71.03 1r2u s THR 13 CO 0.46 0.00 2.07 -0.78 -0.54 0.00 0.00 174.62 175.83 1r2u h ASP 14 N 1.42 0.00 -0.54 3.99 3.58 -2.00 -2.51 116.42 120.37 1r2u h ASP 14 Ca -0.43 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 1r2u h ASP 14 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 1r2u h ASP 14 CO 0.74 0.11 0.31 -0.33 -2.88 0.00 0.00 179.24 177.18 1r2u h GLU 15 N 0.00 0.75 -0.23 0.28 3.07 -1.99 0.11 114.58 116.58 1r2u h GLU 15 Ca -0.00 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1r2u h GLU 15 Cb 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1r2u h GLU 15 CO 0.01 0.57 0.03 -0.56 -1.40 0.00 0.00 179.01 177.66 1r2u h GLN 16 N 0.73 0.33 0.00 2.33 -0.00 -1.85 -1.61 115.11 115.04 1r2u h GLN 16 Ca 0.19 -0.05 -0.20 0.00 -0.00 0.00 0.00 58.65 58.59 1r2u h GLN 16 Cb 0.03 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.42 1r2u h GLN 16 CO -0.03 0.34 -0.97 0.87 -0.00 0.00 0.00 178.83 179.04 1r2u h LYS 17 N 0.33 0.00 -0.31 0.06 6.56 -1.39 -2.76 116.57 119.06 1r2u h LYS 17 Ca 0.08 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 1r2u h LYS 17 Cb 0.18 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1r2u h LYS 17 CO 0.00 0.97 0.08 -0.91 -2.06 0.00 0.00 179.45 177.53 1r2u h ASN 18 N 0.00 0.46 0.07 0.86 2.35 0.12 0.44 115.58 119.88 1r2u h ASN 18 Ca -0.01 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1r2u h ASN 18 Cb 1.71 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1r2u h ASN 18 CO 0.13 0.56 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.10 1r2u h GLU 19 N 0.34 -0.09 -0.44 0.81 5.08 -1.44 -2.59 114.58 116.25 1r2u h GLU 19 Ca 0.10 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1r2u h GLU 19 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1r2u h GLU 19 CO -0.00 0.27 0.25 0.74 -1.00 0.00 0.00 179.01 179.28 1r2u h PHE 20 N -0.47 0.58 -0.70 4.33 0.04 -1.48 -2.08 116.94 117.17 1r2u h PHE 20 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1r2u h PHE 20 Cb 0.41 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1r2u h PHE 20 CO 0.05 0.40 0.17 -0.22 -0.60 0.00 0.00 178.31 178.11 1r2u h LYS 21 N 0.61 1.13 -0.35 1.51 1.63 -0.04 0.11 116.57 121.17 1r2u h LYS 21 Ca 0.16 -0.27 -0.10 0.00 -0.85 0.00 0.00 60.65 59.59 1r2u h LYS 21 Cb -0.00 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1r2u h LYS 21 CO -0.03 0.99 -0.16 0.00 -3.45 0.00 0.00 179.45 176.80 1r2u h ALA 22 N 1.08 0.49 0.00 5.00 0.00 -1.02 0.57 119.26 125.38 1r2u h ALA 22 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r2u h ALA 22 CO 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 1r2u h ALA 23 N 0.79 1.03 0.00 0.00 0.00 -1.22 -2.39 119.26 117.46 1r2u h ALA 23 Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 23 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1r2u h ALA 23 CO 0.05 0.11 -0.81 0.35 0.00 0.00 0.00 179.25 178.95 1r2u h PHE 24 N 0.00 0.00 -0.98 0.00 3.04 -0.45 -3.38 116.94 115.17 1r2u h PHE 24 Ca -0.00 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.03 1r2u h PHE 24 Cb 0.58 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.02 1r2u h PHE 24 CO 0.00 1.04 0.63 0.22 -2.02 0.00 0.00 178.31 178.18 1r2u h ASP 25 N -1.00 0.97 -0.86 0.41 3.58 0.12 -0.61 116.42 119.04 1r2u h ASP 25 Ca -0.20 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.42 1r2u h ASP 25 Cb 1.02 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 1r2u h ASP 25 CO -0.12 0.59 0.56 0.16 -2.88 0.00 0.00 179.24 177.55 1r2u h ILE 26 N 1.08 0.81 0.00 2.25 3.07 -1.62 0.34 117.51 123.45 1r2u h ILE 26 Ca 0.44 -0.21 -0.24 0.00 1.55 0.00 0.00 64.86 66.41 1r2u h ILE 26 Cb 0.28 0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 36.95 1r2u h ILE 26 CO -0.19 0.11 -1.39 -0.26 -1.05 0.00 0.00 178.15 175.37 1r2u h PHE 27 N 0.60 0.00 -0.44 0.16 0.04 -1.49 -3.32 116.94 112.50 1r2u h PHE 27 Ca 0.43 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.10 1r2u h PHE 27 Cb 0.78 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.88 1r2u h PHE 27 CO -0.00 0.91 0.12 -0.89 -0.60 0.00 0.00 178.31 177.85 1r2u n ILE 28 N -3.12 1.93 0.13 -0.55 2.08 -0.31 -4.27 119.36 115.25 1r2u n ILE 28 Ca -0.10 -0.97 0.01 0.00 0.56 0.00 0.00 62.75 62.25 1r2u n ILE 28 Cb 0.97 -0.45 0.34 0.00 -0.75 0.00 0.00 39.64 39.75 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 1.95 0.18 -0.30 0.38 3.07 -1.10 -3.32 115.11 115.96 1r2u h GLN 29 Ca 0.12 -0.06 -0.23 0.00 0.09 0.00 0.00 58.65 58.58 1r2u h GLN 29 Cb 1.65 -0.02 -0.29 0.00 0.08 0.00 0.00 27.48 28.91 1r2u h GLN 29 CO 0.42 0.43 -0.76 -3.47 0.09 0.00 0.00 178.83 175.54 1r2u n ASP 30 N -4.17 0.18 -4.79 0.06 2.03 -1.26 -5.13 116.55 103.46 1r2u n ASP 30 Ca -0.01 -2.20 -0.32 0.00 0.52 0.00 0.00 54.79 52.78 1r2u n ASP 30 Cb 0.35 0.06 0.05 0.00 -0.72 0.00 0.00 41.12 40.86 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 -1.99 2.54 -0.07 -1.67 0.00 -1.25 -5.00 121.76 114.32 1r2u s ALA 31 Ca 0.20 0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1r2u s ALA 31 Cb 0.39 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 20.09 1r2u s ALA 31 CO -0.07 -1.31 0.88 0.93 0.00 0.00 0.00 175.76 176.20 1r2u h GLU 32 N -0.50 -0.10 0.01 0.00 5.08 -1.95 -3.39 114.58 113.74 1r2u h GLU 32 Ca -0.45 0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 57.55 1r2u h GLU 32 Cb 1.22 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1r2u h GLU 32 CO 0.55 0.46 -2.31 -3.47 -1.00 0.00 0.00 179.01 173.24 1r2u n ASP 33 N -4.82 0.92 0.00 1.42 2.03 -1.26 -5.01 116.55 109.82 1r2u n ASP 33 Ca -0.08 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1r2u n ASP 33 Cb 0.30 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 1.92 1.64 3.33 0.27 0.00 -1.26 -5.15 105.19 105.94 1r2u n GLY 34 Ca -0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.67 2.06 0.26 0.00 -5.25 -0.94 -4.82 121.20 108.84 1r2u s ILE 36 Ca 0.36 -1.27 -0.02 0.00 -0.99 0.00 0.00 60.65 58.73 1r2u s ILE 36 Cb 0.03 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 43.06 1r2u s ILE 36 CO 0.19 0.00 0.48 -0.55 -1.79 0.00 0.00 174.94 173.26 1r2u s SER 37 N -4.39 6.38 0.09 4.36 0.15 -1.26 0.06 113.70 119.09 1r2u s SER 37 Ca 0.47 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.34 1r2u s SER 37 Cb -0.04 -2.05 -0.15 0.00 -1.71 0.00 0.00 66.02 62.07 1r2u s SER 37 CO 0.29 -0.14 1.66 0.71 1.20 0.00 0.00 173.24 176.96 1r2u h THR 38 N 1.31 0.55 0.00 6.45 1.35 -1.91 -1.69 112.91 118.97 1r2u h THR 38 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1r2u h THR 38 Cb 1.20 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1r2u h THR 38 CO 0.66 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.00 1r2u h LYS 39 N -0.54 0.00 0.00 4.72 2.10 -1.95 -2.49 116.57 118.41 1r2u h LYS 39 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1r2u h LYS 39 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1r2u h LYS 39 CO 0.04 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.58 1r2u n GLU 40 N -2.48 0.74 0.08 0.07 2.13 -0.65 -3.62 120.64 116.92 1r2u n GLU 40 Ca 0.01 0.01 0.05 0.00 0.66 0.00 0.00 57.16 57.89 1r2u n GLU 40 Cb 0.22 -1.50 0.48 0.00 0.27 0.00 0.00 31.44 30.91 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1r2u h LEU 41 N 0.00 0.33 -1.35 4.31 5.85 -1.35 -0.15 115.31 122.95 1r2u h LEU 41 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1r2u h LEU 41 Cb 0.11 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1r2u h LEU 41 CO 0.00 0.26 0.00 1.23 -0.34 0.00 0.00 178.44 179.59 1r2u h GLY 42 N 0.42 0.00 1.24 3.75 0.00 -1.83 -2.40 103.07 104.26 1r2u h GLY 42 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.13 1r2u h GLY 42 CO -0.02 0.00 -1.53 0.50 0.00 0.00 0.00 176.54 175.49 1r2u h LYS 43 N 0.00 0.24 -0.05 4.80 1.57 -1.28 -3.29 116.57 118.56 1r2u h LYS 43 Ca 0.00 -0.41 -0.20 0.00 -1.87 0.00 0.00 60.65 58.17 1r2u h LYS 43 Cb 0.37 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1r2u h LYS 43 CO 0.00 1.10 -0.80 -0.39 -0.57 0.00 0.00 179.45 178.79 1r2u h VAL 44 N 0.07 1.39 -0.55 0.50 -1.51 -1.34 -3.14 116.25 111.67 1r2u h VAL 44 Ca -0.24 -2.27 0.02 0.00 -1.23 0.00 0.00 66.70 62.98 1r2u h VAL 44 Cb 2.01 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 33.37 1r2u h VAL 44 CO 0.16 0.68 0.36 0.24 -1.23 0.00 0.00 177.57 177.78 1r2u h MET 45 N 0.25 0.65 -0.99 5.19 2.86 -1.56 -0.78 114.93 120.54 1r2u h MET 45 Ca -0.05 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1r2u h MET 45 Cb 1.40 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 1r2u h MET 45 CO 0.14 0.43 0.65 0.00 1.06 0.00 0.00 176.91 179.19 1r2u h ARG 46 N 0.67 1.24 0.08 1.72 2.47 -1.47 0.45 114.38 119.54 1r2u h ARG 46 Ca 0.21 -0.07 -0.25 0.00 -1.26 0.00 0.00 59.98 58.60 1r2u h ARG 46 Cb 0.03 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.07 1r2u h ARG 46 CO -0.05 0.82 -1.12 0.52 0.56 0.00 0.00 179.97 180.70 1r2u h MET 47 N 1.28 0.34 0.11 0.04 2.86 -1.42 -3.35 114.93 114.78 1r2u h MET 47 Ca 0.39 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1r2u h MET 47 Cb -0.04 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1r2u h MET 47 CO -0.11 1.18 -0.05 1.25 1.06 0.00 0.00 176.91 180.23 1r2u h LEU 48 N 0.14 -0.12 0.00 1.22 5.85 -0.72 -3.48 115.31 118.19 1r2u h LEU 48 Ca -0.11 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1r2u h LEU 48 Cb 1.81 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1r2u h LEU 48 CO 0.19 0.35 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 1r2u n GLY 49 N 0.20 -0.08 3.37 3.75 0.00 0.11 -5.09 105.19 107.46 1r2u n GLY 49 Ca -0.09 -0.05 -0.13 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 1.08 -0.44 1.61 -0.21 0.11 -5.01 119.66 116.80 1r2u s GLN 50 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.04 1r2u s GLN 50 Cb 0.00 0.49 0.21 0.00 1.00 0.00 0.00 33.01 34.70 1r2u s GLN 50 CO 0.00 -0.41 0.57 -1.71 -2.12 0.00 0.00 175.29 171.62 1r2u n ASN 51 N 0.13 -1.38 -2.12 5.90 5.15 -1.26 -2.78 115.26 118.90 1r2u n ASN 51 Ca -0.18 -2.73 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 1r2u n ASN 51 Cb 0.62 0.34 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 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 2.28 0.50 -3.97 1.20 -0.04 -1.26 -5.12 135.00 128.59 1r2u n PRO 52 Ca 0.21 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.42 1r2u n PRO 52 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.36 1.99 0.16 0.52 -4.23 -1.26 -4.96 115.64 107.50 1r2u s THR 53 Ca 0.00 -1.57 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 1r2u s THR 53 Cb 0.00 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.33 1r2u s THR 53 CO 0.00 0.00 1.63 1.55 -0.54 0.00 0.00 174.62 177.26 1r2u h PRO 54 N 1.05 0.00 0.16 3.99 0.13 -1.99 -0.95 132.00 134.40 1r2u h PRO 54 Ca -0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 1r2u h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r2u h PRO 54 CO 0.62 0.51 -1.59 0.93 -0.23 0.00 0.00 178.00 178.25 1r2u h GLU 55 N 0.00 0.34 0.08 0.86 4.39 -1.99 -3.01 114.58 115.25 1r2u h GLU 55 Ca -0.01 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.11 1r2u h GLU 55 Cb 1.09 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1r2u h GLU 55 CO 0.07 1.23 -0.04 1.49 -1.16 0.00 0.00 179.01 180.60 1r2u h GLU 56 N 0.09 -0.11 0.00 2.33 4.57 -1.96 -3.17 114.58 116.33 1r2u h GLU 56 Ca -0.28 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1r2u h GLU 56 Cb 2.06 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1r2u h GLU 56 CO 0.18 0.37 -0.09 1.37 -1.18 0.00 0.00 179.01 179.66 1r2u h LEU 57 N -0.66 0.00 -0.81 1.64 -0.00 -1.34 -2.57 115.31 111.57 1r2u h LEU 57 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 1r2u h LEU 57 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.12 1r2u h LEU 57 CO 0.02 0.09 0.47 -0.61 -0.00 0.00 0.00 178.44 178.41 1r2u h GLN 58 N 0.00 0.79 -0.66 0.17 -0.00 -1.50 -0.37 115.11 113.55 1r2u h GLN 58 Ca -0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 1r2u h GLN 58 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 1r2u h GLN 58 CO 0.01 0.52 0.13 0.93 0.00 0.00 0.00 178.83 180.43 1r2u h GLU 59 N 0.81 1.06 -0.41 1.69 4.39 -1.53 -2.70 114.58 117.90 1r2u h GLU 59 Ca 0.38 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1r2u h GLU 59 Cb 0.29 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1r2u h GLU 59 CO -0.22 0.95 0.12 0.52 -1.16 0.00 0.00 179.01 179.22 1r2u h MET 60 N 1.00 0.64 0.04 2.33 2.86 -1.30 -1.65 114.93 118.84 1r2u h MET 60 Ca 0.21 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1r2u h MET 60 Cb 0.39 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1r2u h MET 60 CO 0.01 0.64 -0.04 0.82 1.06 0.00 0.00 176.91 179.40 1r2u h ILE 61 N 0.52 0.00 -0.92 -1.22 2.04 -0.92 -1.68 117.51 115.33 1r2u h ILE 61 Ca 0.13 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.22 1r2u h ILE 61 Cb 0.27 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 1r2u h ILE 61 CO -0.00 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 177.98 1r2u h ASP 62 N -0.07 0.30 -0.40 1.72 3.58 -1.56 0.37 116.42 120.36 1r2u h ASP 62 Ca -0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1r2u h ASP 62 Cb 0.06 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1r2u h ASP 62 CO -0.00 0.11 0.21 -0.33 -2.88 0.00 0.00 179.24 176.35 1r2u h GLU 63 N 0.30 0.57 0.00 0.28 4.39 -0.99 -2.93 114.58 116.20 1r2u h GLU 63 Ca 0.47 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1r2u h GLU 63 Cb 1.35 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1r2u h GLU 63 CO -0.15 0.47 -0.64 -0.39 -1.16 0.00 0.00 179.01 177.15 1r2u h VAL 64 N 0.52 0.00 -0.98 3.13 -1.51 -0.19 -3.44 116.25 113.78 1r2u h VAL 64 Ca 0.14 -0.64 -0.33 0.00 -1.23 0.00 0.00 66.70 64.65 1r2u h VAL 64 Cb 0.07 1.25 -0.04 0.00 -2.13 0.00 0.00 31.29 30.44 1r2u h VAL 64 CO -0.02 0.00 0.85 -0.62 -1.23 0.00 0.00 177.57 176.55 1r2u s ASP 65 N -4.62 5.12 0.14 4.19 -1.08 0.12 -4.62 116.67 115.91 1r2u s ASP 65 Ca 0.05 -0.42 -0.09 0.00 -0.52 0.00 0.00 52.55 51.58 1r2u s ASP 65 Cb 0.12 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.97 1r2u s ASP 65 CO 0.73 -2.71 1.39 -0.33 0.52 0.00 0.00 175.17 174.77 1r2u h GLU 66 N 12.21 0.72 0.13 4.34 5.08 -1.85 -3.34 114.58 131.86 1r2u h GLU 66 Ca 0.01 -0.52 -0.30 0.00 -1.00 0.00 0.00 59.36 57.55 1r2u h GLU 66 Cb 1.04 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1r2u h GLU 66 CO 1.20 1.14 -1.55 0.38 -1.00 0.00 0.00 179.01 179.19 1r2u h ASP 67 N 0.52 0.43 -2.65 1.42 3.04 -1.97 -3.49 116.42 113.72 1r2u h ASP 67 Ca -0.02 -0.87 -0.09 0.00 -3.24 0.00 0.00 57.03 52.80 1r2u h ASP 67 Cb 1.26 -0.14 0.04 0.00 -1.04 0.00 0.00 39.33 39.46 1r2u h ASP 67 CO 0.13 1.68 -0.19 0.61 -2.04 0.00 0.00 179.24 179.44 1r2u n GLY 68 N 1.79 0.38 0.09 7.15 0.00 -1.26 -5.00 105.19 108.34 1r2u n GLY 68 Ca -0.26 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.75 1.85 0.00 1.61 3.41 -1.26 -5.03 113.62 113.45 1r2u n SER 69 Ca -0.04 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1r2u n SER 69 Cb 0.53 -0.91 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 1.49 1.26 3.78 5.00 0.00 -1.26 -5.14 105.19 110.31 1r2u n GLY 70 Ca -0.24 -0.09 -0.30 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 4.53 -0.32 2.61 -4.23 -1.26 -3.19 115.64 113.78 1r2u s THR 71 Ca 0.00 -0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1r2u s THR 71 Cb 0.00 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1r2u s THR 71 CO 0.00 0.10 0.23 -0.69 -0.54 0.00 0.00 174.62 173.72 1r2u s VAL 72 N -1.43 5.29 0.79 2.29 1.01 0.11 -4.91 120.40 123.55 1r2u s VAL 72 Ca 0.29 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1r2u s VAL 72 Cb -0.12 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1r2u s VAL 72 CO 0.22 0.09 1.10 -1.81 0.00 0.00 0.00 175.10 174.70 1r2u s ASP 73 N 1.74 4.19 0.37 3.32 1.11 -1.26 -2.21 116.67 123.92 1r2u s ASP 73 Ca 0.07 0.18 0.12 0.00 0.18 0.00 0.00 52.55 53.10 1r2u s ASP 73 Cb -0.17 -0.58 0.72 0.00 1.07 0.00 0.00 42.92 43.96 1r2u s ASP 73 CO 0.11 -2.00 1.83 0.15 1.18 0.00 0.00 175.17 176.44 1r2u h PHE 74 N -0.89 0.06 -0.58 4.23 3.57 -1.97 0.22 116.94 121.58 1r2u h PHE 74 Ca -0.42 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1r2u h PHE 74 Cb 1.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1r2u h PHE 74 CO -0.24 0.39 0.13 -0.44 -2.23 0.00 0.00 178.31 175.91 1r2u h ASP 75 N 0.05 0.85 1.75 0.41 5.19 -1.99 0.39 116.42 123.07 1r2u h ASP 75 Ca 0.01 -0.17 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1r2u h ASP 75 Cb 0.62 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1r2u h ASP 75 CO 0.05 0.84 -0.25 -0.33 -3.12 0.00 0.00 179.24 176.42 1r2u h GLU 76 N 0.87 0.00 0.09 3.56 5.08 -1.65 -2.86 114.58 119.67 1r2u h GLU 76 Ca 0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.28 1r2u h GLU 76 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1r2u h GLU 76 CO 0.00 0.21 -1.14 0.35 -1.00 0.00 0.00 179.01 177.43 1r2u h PHE 77 N 0.00 0.67 0.02 4.33 3.57 0.45 -3.32 116.94 122.65 1r2u h PHE 77 Ca -0.00 -0.43 -0.21 0.00 3.53 0.00 0.00 57.97 60.86 1r2u h PHE 77 Cb 1.17 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1r2u h PHE 77 CO 0.00 1.29 -0.94 -0.07 -2.23 0.00 0.00 178.31 176.36 1r2u h LEU 78 N 0.18 0.29 -2.81 0.59 3.38 -0.28 -3.20 115.31 113.46 1r2u h LEU 78 Ca -0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1r2u h LEU 78 Cb 1.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1r2u h LEU 78 CO 0.20 1.08 -0.00 -0.37 0.09 0.00 0.00 178.44 179.44 1r2u h VAL 79 N 0.11 0.15 -0.78 1.22 -1.51 -1.60 -2.30 116.25 111.54 1r2u h VAL 79 Ca -0.06 -0.02 0.22 0.00 -1.23 0.00 0.00 66.70 65.62 1r2u h VAL 79 Cb 1.59 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 1r2u h VAL 79 CO 0.15 0.00 0.73 0.24 -1.23 0.00 0.00 177.57 177.46 1r2u h MET 80 N 0.00 0.00 0.12 5.19 2.86 -1.67 0.14 114.93 121.57 1r2u h MET 80 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1r2u h MET 80 Cb 0.02 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.70 1r2u h MET 80 CO 0.00 0.00 -0.69 0.52 1.06 0.00 0.00 176.91 177.80 1r2u h MET 81 N 0.00 0.25 0.00 1.72 2.07 -1.67 -3.34 114.93 113.96 1r2u h MET 81 Ca 0.37 -0.43 -0.10 0.00 -2.07 0.00 0.00 59.70 57.46 1r2u h MET 81 Cb 1.82 0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 31.70 1r2u h MET 81 CO -0.00 1.21 -0.50 -0.39 1.07 0.00 0.00 176.91 178.30 1r2u h VAL 82 N -0.47 1.30 0.00 -2.22 -1.51 -1.08 -2.81 116.25 109.46 1r2u h VAL 82 Ca -0.12 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.62 1r2u h VAL 82 Cb 1.54 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1r2u h VAL 82 CO 0.13 0.49 0.00 0.08 -1.23 0.00 0.00 177.57 177.04 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 0.11 -0.97 -1.33 114.38 117.38 1r2u h ARG 83 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r2u h ARG 83 Cb 0.91 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.99 1r2u h ARG 83 CO 0.06 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.13 1r2u h MET 85 N 0.00 0.07 -6.69 0.00 -0.00 -1.42 -3.42 114.93 103.48 1r2u h MET 85 Ca 0.00 -0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.12 1r2u h MET 85 Cb 0.40 -0.02 0.14 0.00 -0.00 0.00 0.00 31.60 32.13 1r2u h MET 85 CO 0.00 0.05 0.14 1.63 -0.00 0.00 0.00 176.91 178.72 1r2u n LYS 86 N -4.27 1.24 0.00 -0.10 4.76 -1.23 -4.89 118.16 113.67 1r2u n LYS 86 Ca 0.26 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1r2u n LYS 86 Cb 1.21 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1r2u n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r2u n ASP 87 N 0.22 0.00 -2.55 4.39 2.03 -1.26 -5.09 116.55 114.29 1r2u n ASP 87 Ca 0.10 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 1r2u n ASP 87 Cb 0.41 0.08 0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r2u n ASP 88 N -1.97 -5.22 -0.68 1.67 2.03 -1.26 -5.30 116.55 105.81 1r2u n ASP 88 Ca 0.00 -0.28 0.09 0.00 0.52 0.00 0.00 54.79 55.11 1r2u n ASP 88 Cb 0.00 -3.57 0.07 0.00 -0.72 0.00 0.00 41.12 36.91 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74