#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u n ASN 2 N 0.00 0.04 0.00 3.17 4.13 -1.26 -5.03 115.26 116.31 1r2u n ASN 2 Ca 0.00 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1r2u n ASN 2 Cb 0.00 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1r2u n ASP 3 N -3.14 -1.91 0.06 6.41 2.03 -1.26 -4.83 116.55 113.91 1r2u n ASP 3 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1r2u n ASP 3 Cb 0.04 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 38.96 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 0.00 0.81 -0.09 5.18 -0.00 -1.88 -3.14 117.51 118.39 1r2u h ILE 4 Ca 0.00 -2.33 -0.08 0.00 -0.00 0.00 0.00 64.86 62.45 1r2u h ILE 4 Cb 0.19 2.30 -0.01 0.00 -0.00 0.00 0.00 36.82 39.30 1r2u h ILE 4 CO 0.00 0.46 -0.33 1.88 -0.00 0.00 0.00 178.15 180.16 1r2u h TYR 5 N 0.00 0.19 0.10 0.16 0.05 -1.88 0.41 116.97 116.00 1r2u h TYR 5 Ca -0.11 -0.04 -0.28 0.00 0.05 0.00 0.00 58.73 58.35 1r2u h TYR 5 Cb 1.60 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 39.31 1r2u h TYR 5 CO 0.00 0.49 -1.19 0.87 -1.05 0.00 0.00 178.16 177.28 1r2u h LYS 6 N 0.15 0.46 0.00 4.88 1.79 -1.97 -0.37 116.57 121.50 1r2u h LYS 6 Ca 0.02 -0.63 -0.11 0.00 -2.18 0.00 0.00 60.65 57.75 1r2u h LYS 6 Cb 0.67 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1r2u h LYS 6 CO 0.05 1.27 -0.52 0.00 -1.08 0.00 0.00 179.45 179.16 1r2u h ALA 7 N 0.48 0.84 0.07 3.86 0.00 -1.44 -3.21 119.26 119.86 1r2u h ALA 7 Ca -0.15 -0.48 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 1r2u h ALA 7 Cb 1.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1r2u h ALA 7 CO 0.21 0.65 -1.62 0.00 0.00 0.00 0.00 179.25 178.49 1r2u h ALA 8 N 1.48 0.47 0.00 0.00 0.00 -0.20 -3.32 119.26 117.68 1r2u h ALA 8 Ca -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 54.91 53.63 1r2u h ALA 8 Cb 1.14 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1r2u h ALA 8 CO 0.07 1.32 -0.08 -0.24 0.00 0.00 0.00 179.25 180.32 1r2u h VAL 9 N 0.04 0.64 0.00 0.00 3.04 -1.09 -0.40 116.25 118.48 1r2u h VAL 9 Ca -0.27 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1r2u h VAL 9 Cb 2.00 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 32.48 1r2u h VAL 9 CO 0.12 0.08 -0.31 -0.62 -1.01 0.00 0.00 177.57 175.83 1r2u n GLU 10 N -3.84 0.01 -0.06 4.17 -0.58 -1.21 -3.94 120.64 115.19 1r2u n GLU 10 Ca -0.02 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.71 1r2u n GLU 10 Cb 0.17 -1.51 -0.16 0.00 -0.57 0.00 0.00 31.44 29.38 1r2u n GLU 10 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1r2u n GLN 11 N -1.53 0.77 -0.92 3.49 1.13 -0.25 -5.00 117.38 115.07 1r2u n GLN 11 Ca 0.06 -0.08 -0.32 0.00 -1.94 0.00 0.00 57.00 54.72 1r2u n GLN 11 Cb 0.34 -1.49 0.14 0.00 0.11 0.00 0.00 30.24 29.34 1r2u n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1r2u s LEU 12 N -5.03 2.99 0.39 1.08 0.05 -0.64 -5.04 118.68 112.47 1r2u s LEU 12 Ca -0.09 2.23 0.08 0.00 0.05 0.00 0.00 54.13 56.40 1r2u s LEU 12 Cb 0.09 -4.57 -0.03 0.00 -2.05 0.00 0.00 46.19 39.62 1r2u s LEU 12 CO 0.82 -2.83 0.28 0.42 -0.55 0.00 0.00 176.35 174.49 1r2u s THR 13 N -2.47 2.77 0.32 5.48 -4.23 -1.26 -5.02 115.64 111.23 1r2u s THR 13 Ca 0.69 -1.48 0.09 0.00 -1.18 0.00 0.00 61.69 59.80 1r2u s THR 13 Cb -0.25 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.62 1r2u s THR 13 CO 0.55 -0.06 1.74 0.44 -0.54 0.00 0.00 174.62 176.74 1r2u h ASP 14 N 1.23 0.16 -0.71 3.99 3.32 -2.00 -2.94 116.42 119.47 1r2u h ASP 14 Ca -0.43 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 1r2u h ASP 14 Cb 1.26 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1r2u h ASP 14 CO 0.61 0.55 0.22 1.05 -1.72 0.00 0.00 179.24 179.96 1r2u h GLU 15 N 0.13 1.11 -0.28 3.56 4.11 -1.98 0.95 114.58 122.18 1r2u h GLU 15 Ca 0.01 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 1r2u h GLU 15 Cb 0.78 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1r2u h GLU 15 CO 0.06 0.95 0.09 -0.56 0.07 0.00 0.00 179.01 179.62 1r2u h GLN 16 N 1.05 0.39 0.07 1.06 -0.00 -1.93 -0.53 115.11 115.22 1r2u h GLN 16 Ca 0.23 -0.05 -0.26 0.00 -0.00 0.00 0.00 58.65 58.57 1r2u h GLN 16 Cb 0.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.69 1r2u h GLN 16 CO -0.01 0.35 -1.27 0.87 -0.00 0.00 0.00 178.83 178.77 1r2u h LYS 17 N 0.39 0.15 -0.58 0.06 6.56 -1.43 -2.56 116.57 119.16 1r2u h LYS 17 Ca 0.10 -0.26 -0.04 0.00 -1.06 0.00 0.00 60.65 59.39 1r2u h LYS 17 Cb 0.12 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 1r2u h LYS 17 CO -0.01 1.06 0.22 -0.91 -2.06 0.00 0.00 179.45 177.75 1r2u h ASN 18 N 0.04 0.81 -0.21 0.86 2.35 -0.13 0.28 115.58 119.57 1r2u h ASN 18 Ca -0.13 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.31 1r2u h ASN 18 Cb 1.92 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 40.08 1r2u h ASN 18 CO 0.16 0.77 -0.35 -0.33 -1.65 0.00 0.00 177.43 176.03 1r2u h GLU 19 N 0.80 0.61 -0.66 0.81 4.39 -1.21 -2.41 114.58 116.91 1r2u h GLU 19 Ca 0.19 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1r2u h GLU 19 Cb 0.22 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1r2u h GLU 19 CO -0.01 0.99 0.37 0.74 -1.16 0.00 0.00 179.01 179.93 1r2u h PHE 20 N 0.30 0.90 -0.17 4.33 -1.00 -1.27 0.18 116.94 120.21 1r2u h PHE 20 Ca 0.02 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1r2u h PHE 20 Cb 0.94 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1r2u h PHE 20 CO 0.09 0.63 0.07 -0.22 -1.61 0.00 0.00 178.31 177.27 1r2u h LYS 21 N 0.90 0.25 -0.37 1.51 1.63 -0.45 0.57 116.57 120.62 1r2u h LYS 21 Ca 0.23 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1r2u h LYS 21 Cb 0.03 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1r2u h LYS 21 CO -0.04 0.31 0.06 0.00 -3.45 0.00 0.00 179.45 176.34 1r2u h ALA 22 N 0.92 0.49 0.00 5.00 0.00 -1.27 0.25 119.26 124.66 1r2u h ALA 22 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1r2u h ALA 22 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r2u h ALA 22 CO -0.01 0.19 -0.11 0.00 0.00 0.00 0.00 179.25 179.33 1r2u h ALA 23 N 0.91 1.47 0.00 0.00 0.00 -0.52 -1.66 119.26 119.45 1r2u h ALA 23 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1r2u h ALA 23 CO 0.01 0.13 -0.46 0.35 0.00 0.00 0.00 179.25 179.28 1r2u h PHE 24 N 0.00 0.00 -0.92 0.00 3.57 -0.44 -3.35 116.94 115.79 1r2u h PHE 24 Ca -0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 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 0.83 0.54 0.22 -2.23 0.00 0.00 178.31 177.68 1r2u h ASP 25 N -1.00 0.75 -0.52 0.41 3.58 -0.41 0.56 116.42 119.79 1r2u h ASP 25 Ca -0.11 0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.48 1r2u h ASP 25 Cb 0.85 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1r2u h ASP 25 CO -0.07 0.37 0.35 0.16 -2.88 0.00 0.00 179.24 177.17 1r2u h ILE 26 N 0.82 0.96 0.00 2.25 3.07 -1.47 -1.42 117.51 121.72 1r2u h ILE 26 Ca 0.48 -0.15 -0.19 0.00 1.55 0.00 0.00 64.86 66.55 1r2u h ILE 26 Cb 0.56 0.49 -0.03 0.00 -0.27 0.00 0.00 36.82 37.57 1r2u h ILE 26 CO -0.30 0.08 -1.31 -0.26 -1.05 0.00 0.00 178.15 175.31 1r2u h PHE 27 N 0.43 0.00 -0.39 0.16 0.04 -1.27 -3.32 116.94 112.60 1r2u h PHE 27 Ca 0.23 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 1r2u h PHE 27 Cb 0.35 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1r2u h PHE 27 CO -0.00 0.70 0.07 -0.89 -0.60 0.00 0.00 178.31 177.59 1r2u n ILE 28 N -3.02 1.76 0.14 -0.55 2.08 0.03 -4.28 119.36 115.54 1r2u n ILE 28 Ca -0.09 -0.89 0.04 0.00 0.56 0.00 0.00 62.75 62.38 1r2u n ILE 28 Cb 0.88 -0.42 0.47 0.00 -0.75 0.00 0.00 39.64 39.82 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 2.09 0.20 -0.19 0.38 3.07 -1.44 -3.32 115.11 115.91 1r2u h GLN 29 Ca 0.06 -0.03 -0.22 0.00 0.09 0.00 0.00 58.65 58.55 1r2u h GLN 29 Cb 1.51 -0.04 -0.22 0.00 0.08 0.00 0.00 27.48 28.82 1r2u h GLN 29 CO 0.36 0.26 -0.54 -3.47 0.09 0.00 0.00 178.83 175.53 1r2u n ASP 30 N -4.38 -0.80 -4.77 0.06 2.03 -1.26 -5.14 116.55 102.29 1r2u n ASP 30 Ca -0.01 -2.33 -0.31 0.00 0.52 0.00 0.00 54.79 52.66 1r2u n ASP 30 Cb 0.19 0.47 0.08 0.00 -0.72 0.00 0.00 41.12 41.14 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 -0.84 2.32 -0.04 -1.67 0.00 -1.25 -4.99 121.76 115.30 1r2u s ALA 31 Ca 0.18 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1r2u s ALA 31 Cb 0.42 -3.27 -0.21 0.00 0.00 0.00 0.00 23.12 20.05 1r2u s ALA 31 CO -0.08 -1.65 1.16 0.93 0.00 0.00 0.00 175.76 176.12 1r2u h GLU 32 N -0.92 0.04 -0.18 0.00 5.08 -1.95 -3.33 114.58 113.31 1r2u h GLU 32 Ca -0.44 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1r2u h GLU 32 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1r2u h GLU 32 CO 0.52 0.63 -0.20 -3.47 -1.00 0.00 0.00 179.01 175.49 1r2u n ASP 33 N -4.76 2.35 -2.08 1.42 2.03 -1.26 -4.94 116.55 109.31 1r2u n ASP 33 Ca -0.09 -3.65 -0.18 0.00 0.52 0.00 0.00 54.79 51.39 1r2u n ASP 33 Cb 0.32 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.10 -0.38 3.35 0.27 0.00 -1.25 -4.98 105.19 101.10 1r2u n GLY 34 Ca 0.25 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.36 2.44 -0.00 0.00 -5.25 -0.77 -4.61 121.20 109.65 1r2u s ILE 36 Ca 0.37 -1.33 -0.14 0.00 -0.99 0.00 0.00 60.65 58.56 1r2u s ILE 36 Cb 0.02 -2.77 -0.06 0.00 2.95 0.00 0.00 42.46 42.61 1r2u s ILE 36 CO 0.24 0.00 0.40 -0.55 -1.79 0.00 0.00 174.94 173.24 1r2u s SER 37 N -4.22 6.79 0.41 4.36 0.15 -1.26 0.33 113.70 120.26 1r2u s SER 37 Ca 0.47 0.94 0.14 0.00 0.70 0.00 0.00 55.95 58.20 1r2u s SER 37 Cb -0.03 -2.24 0.99 0.00 -1.71 0.00 0.00 66.02 63.02 1r2u s SER 37 CO 0.28 0.32 1.90 0.71 1.20 0.00 0.00 173.24 177.66 1r2u h THR 38 N 3.68 0.80 -0.53 6.45 1.35 -1.90 -0.74 112.91 122.03 1r2u h THR 38 Ca -0.52 -0.17 -0.09 0.00 -0.55 0.00 0.00 66.41 65.09 1r2u h THR 38 Cb 1.22 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 1r2u h THR 38 CO 0.61 0.09 -0.02 0.11 -0.25 0.00 0.00 175.52 176.06 1r2u h LYS 39 N 0.49 0.95 -0.82 4.72 1.79 -1.93 -2.93 116.57 118.84 1r2u h LYS 39 Ca 0.39 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1r2u h LYS 39 Cb 0.83 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1r2u h LYS 39 CO -0.14 0.97 0.01 -0.85 -1.08 0.00 0.00 179.45 178.36 1r2u n GLU 40 N -4.26 2.71 -0.72 3.15 0.28 -0.32 -4.21 120.64 117.28 1r2u n GLU 40 Ca 0.01 -1.42 -0.10 0.00 -0.16 0.00 0.00 57.16 55.49 1r2u n GLU 40 Cb 0.34 -1.83 0.15 0.00 1.43 0.00 0.00 31.44 31.53 1r2u n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1r2u n LEU 41 N 0.26 4.99 -0.02 -1.84 7.94 -0.99 -3.92 117.00 123.42 1r2u n LEU 41 Ca 0.13 -2.61 -0.03 0.00 -1.11 0.00 0.00 56.01 52.40 1r2u n LEU 41 Cb 0.70 -0.69 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 1r2u n LEU 41 CO 0.15 0.75 -0.64 0.61 -1.11 0.00 0.00 177.39 177.16 1r2u n GLY 42 N -0.29 -0.12 0.17 -3.96 0.00 -1.26 -4.62 105.19 95.11 1r2u n GLY 42 Ca 0.32 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1r2u n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r2u h LYS 43 N 0.00 0.00 -0.24 1.61 2.10 -1.89 -3.08 116.57 115.07 1r2u h LYS 43 Ca -0.10 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 1r2u h LYS 43 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1r2u h LYS 43 CO -0.01 0.45 -0.23 -0.39 -2.00 0.00 0.00 179.45 177.28 1r2u h VAL 44 N 0.00 1.25 -0.43 0.07 -1.51 -1.83 -2.44 116.25 111.36 1r2u h VAL 44 Ca -0.00 -1.19 -0.10 0.00 -1.23 0.00 0.00 66.70 64.18 1r2u h VAL 44 Cb 1.06 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 1r2u h VAL 44 CO 0.06 0.38 -0.12 0.24 -1.23 0.00 0.00 177.57 176.90 1r2u h MET 45 N 0.39 0.78 -0.59 5.19 2.86 -1.80 -1.42 114.93 120.35 1r2u h MET 45 Ca 0.06 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1r2u h MET 45 Cb 0.62 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1r2u h MET 45 CO 0.04 0.87 0.11 0.00 1.06 0.00 0.00 176.91 178.99 1r2u h ARG 46 N 0.71 0.94 -0.33 1.72 3.08 -1.49 -1.49 114.38 117.52 1r2u h ARG 46 Ca 0.12 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1r2u h ARG 46 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1r2u h ARG 46 CO 0.04 0.86 -0.32 0.52 -1.07 0.00 0.00 179.97 180.00 1r2u h MET 47 N 0.89 0.73 -0.54 0.04 2.86 -1.11 -3.07 114.93 114.74 1r2u h MET 47 Ca 0.19 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1r2u h MET 47 Cb 0.37 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1r2u h MET 47 CO 0.01 0.95 0.24 1.25 1.06 0.00 0.00 176.91 180.42 1r2u h LEU 48 N 0.61 0.71 0.00 1.22 7.12 -0.87 -3.46 115.31 120.65 1r2u h LEU 48 Ca 0.07 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1r2u h LEU 48 Cb 0.85 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1r2u h LEU 48 CO 0.07 0.66 0.00 0.61 -0.13 0.00 0.00 178.44 179.65 1r2u n GLY 49 N -0.88 0.17 3.36 3.75 0.00 -0.69 -5.11 105.19 105.79 1r2u n GLY 49 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 1.72 -0.48 1.61 1.11 -0.65 -5.00 119.66 117.97 1r2u s GLN 50 Ca 0.00 -1.82 0.06 0.00 0.01 0.00 0.00 55.36 53.61 1r2u s GLN 50 Cb 0.00 0.37 0.24 0.00 -1.01 0.00 0.00 33.01 32.61 1r2u s GLN 50 CO 0.00 -0.66 0.83 -1.71 0.01 0.00 0.00 175.29 173.76 1r2u n ASN 51 N -1.24 -2.49 -2.12 5.90 5.15 -1.26 -4.02 115.26 115.17 1r2u n ASN 51 Ca 0.04 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 1r2u n ASN 51 Cb 0.63 1.48 0.00 0.00 -0.53 0.00 0.00 39.78 41.36 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 1.67 0.43 -3.82 1.20 -0.04 -1.26 -5.12 135.00 128.07 1r2u n PRO 52 Ca 0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1r2u n PRO 52 Cb 0.61 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.44 2.82 0.25 0.52 -4.23 -1.26 -4.98 115.64 108.32 1r2u s THR 53 Ca 0.00 -1.48 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 1r2u s THR 53 Cb 0.00 -3.03 0.14 0.00 1.34 0.00 0.00 72.50 70.95 1r2u s THR 53 CO 0.00 -0.07 1.79 1.55 -0.54 0.00 0.00 174.62 177.35 1r2u h PRO 54 N 1.24 0.00 0.14 3.99 0.13 -1.99 -1.69 132.00 133.82 1r2u h PRO 54 Ca -0.43 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1r2u h PRO 54 CO 0.61 0.35 -1.47 0.93 -0.23 0.00 0.00 178.00 178.20 1r2u h GLU 55 N 0.00 0.30 0.56 0.86 5.08 -1.99 -3.01 114.58 116.39 1r2u h GLU 55 Ca -0.00 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1r2u h GLU 55 Cb 0.79 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1r2u h GLU 55 CO 0.05 1.20 -0.27 1.49 -1.00 0.00 0.00 179.01 180.47 1r2u h GLU 56 N 0.08 -0.73 -0.51 2.33 4.81 -1.92 -2.87 114.58 115.77 1r2u h GLU 56 Ca -0.22 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1r2u h GLU 56 Cb 2.03 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 31.55 1r2u h GLU 56 CO 0.19 -0.42 0.34 1.37 -0.73 0.00 0.00 179.01 179.75 1r2u h LEU 57 N -1.03 0.42 -0.24 1.64 8.10 -1.47 -2.35 115.31 120.36 1r2u h LEU 57 Ca -0.08 -0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.95 1r2u h LEU 57 Cb 0.65 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 1r2u h LEU 57 CO 0.13 0.28 0.04 -0.61 -4.11 0.00 0.00 178.44 174.16 1r2u h GLN 58 N 0.48 0.12 -0.62 0.17 -0.00 -1.45 -0.74 115.11 113.07 1r2u h GLN 58 Ca 0.22 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.83 1r2u h GLN 58 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 1r2u h GLN 58 CO -0.06 0.08 0.25 0.93 0.00 0.00 0.00 178.83 180.04 1r2u h GLU 59 N 0.13 0.91 -0.52 1.69 4.39 -1.21 -2.66 114.58 117.31 1r2u h GLU 59 Ca 0.11 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1r2u h GLU 59 Cb 0.12 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1r2u h GLU 59 CO -0.16 0.74 0.19 0.52 -1.16 0.00 0.00 179.01 179.14 1r2u h MET 60 N 0.89 0.80 0.06 2.33 2.86 -1.11 -1.83 114.93 118.93 1r2u h MET 60 Ca 0.21 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1r2u h MET 60 Cb 0.16 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1r2u h MET 60 CO -0.02 0.72 -0.05 0.82 1.06 0.00 0.00 176.91 179.44 1r2u h ILE 61 N 0.71 0.00 -0.92 -1.22 2.04 -0.81 -0.80 117.51 116.51 1r2u h ILE 61 Ca 0.17 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.24 1r2u h ILE 61 Cb 0.24 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.25 1r2u h ILE 61 CO -0.01 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.19 1r2u h ASP 62 N -0.11 0.40 -0.49 1.72 5.19 -1.59 0.11 116.42 121.65 1r2u h ASP 62 Ca -0.01 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1r2u h ASP 62 Cb 0.09 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1r2u h ASP 62 CO -0.00 0.15 0.16 -0.33 -3.12 0.00 0.00 179.24 176.10 1r2u h GLU 63 N 0.39 0.76 0.00 3.56 4.39 -1.06 -3.02 114.58 119.61 1r2u h GLU 63 Ca 0.48 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1r2u h GLU 63 Cb 1.23 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1r2u h GLU 63 CO -0.18 0.71 -0.34 -0.39 -1.16 0.00 0.00 179.01 177.64 1r2u h VAL 64 N 0.66 0.00 -0.57 3.13 -1.51 0.36 -3.42 116.25 114.90 1r2u h VAL 64 Ca 0.16 -0.97 -0.29 0.00 -1.23 0.00 0.00 66.70 64.37 1r2u h VAL 64 Cb 0.26 1.80 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 1r2u h VAL 64 CO -0.01 0.00 0.83 -0.62 -1.23 0.00 0.00 177.57 176.54 1r2u s ASP 65 N -5.83 4.97 0.38 4.19 -1.08 0.22 -4.61 116.67 114.92 1r2u s ASP 65 Ca 0.05 -1.10 0.17 0.00 -0.52 0.00 0.00 52.55 51.15 1r2u s ASP 65 Cb 0.07 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.73 1r2u s ASP 65 CO 0.71 -3.02 1.81 -0.33 0.52 0.00 0.00 175.17 174.86 1r2u h GLU 66 N 10.66 0.00 0.05 4.34 5.08 -1.84 -3.22 114.58 129.64 1r2u h GLU 66 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1r2u h GLU 66 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r2u h GLU 66 CO 1.20 0.36 -0.42 -0.44 -1.00 0.00 0.00 179.01 178.71 1r2u h ASP 67 N 0.00 0.16 -1.90 1.42 3.32 -1.95 -3.48 116.42 113.98 1r2u h ASP 67 Ca -0.00 -0.94 -0.08 0.00 0.02 0.00 0.00 57.03 56.03 1r2u h ASP 67 Cb 0.73 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.26 1r2u h ASP 67 CO 0.05 1.19 -0.14 0.61 -1.72 0.00 0.00 179.24 179.23 1r2u n GLY 68 N 1.62 0.61 0.10 2.75 0.00 -1.22 -4.99 105.19 104.06 1r2u n GLY 68 Ca -0.14 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 1r2u n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r2u n SER 69 N 0.60 1.85 0.00 1.61 7.64 -1.26 -5.03 113.62 119.04 1r2u n SER 69 Ca -0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1r2u n SER 69 Cb 0.51 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r2u n GLY 70 N 1.46 1.42 3.82 0.23 0.00 -1.26 -5.14 105.19 105.71 1r2u n GLY 70 Ca -0.28 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 4.70 -0.28 2.61 -4.23 -1.26 -3.23 115.64 113.95 1r2u s THR 71 Ca 0.00 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1r2u s THR 71 Cb 0.00 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1r2u s THR 71 CO 0.00 0.03 0.19 -0.69 -0.54 0.00 0.00 174.62 173.61 1r2u s VAL 72 N -1.56 5.31 0.75 2.29 1.01 0.15 -4.89 120.40 123.47 1r2u s VAL 72 Ca 0.31 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 1r2u s VAL 72 Cb -0.11 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.82 1r2u s VAL 72 CO 0.24 0.26 1.08 -1.81 0.00 0.00 0.00 175.10 174.86 1r2u s ASP 73 N 1.68 4.53 0.39 3.32 1.11 -1.26 -1.85 116.67 124.59 1r2u s ASP 73 Ca 0.07 0.43 0.09 0.00 0.18 0.00 0.00 52.55 53.32 1r2u s ASP 73 Cb -0.16 -0.96 0.81 0.00 1.07 0.00 0.00 42.92 43.68 1r2u s ASP 73 CO 0.10 -1.80 1.96 0.15 1.18 0.00 0.00 175.17 176.76 1r2u h PHE 74 N -0.79 0.34 -0.51 4.23 3.57 -1.98 0.26 116.94 122.05 1r2u h PHE 74 Ca -0.44 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1r2u h PHE 74 CO 0.11 0.36 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.05 1r2u h ASP 75 N 0.32 0.94 1.42 0.41 3.32 -1.99 0.07 116.42 120.90 1r2u h ASP 75 Ca 0.07 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 1r2u h ASP 75 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1r2u h ASP 75 CO 0.01 1.05 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.03 1r2u h GLU 76 N 0.81 0.00 0.09 3.56 5.08 -1.65 -2.52 114.58 119.94 1r2u h GLU 76 Ca 0.14 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 76 Cb 0.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1r2u h GLU 76 CO 0.04 0.22 -1.16 0.35 -1.00 0.00 0.00 179.01 177.46 1r2u h PHE 77 N 0.00 0.77 0.12 4.33 3.57 -0.09 -3.32 116.94 122.33 1r2u h PHE 77 Ca -0.00 -0.49 -0.27 0.00 3.53 0.00 0.00 57.97 60.74 1r2u h PHE 77 Cb 0.99 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1r2u h PHE 77 CO 0.00 1.34 -1.21 -0.07 -2.23 0.00 0.00 178.31 176.13 1r2u h LEU 78 N 0.21 0.46 -2.25 0.59 3.38 -0.99 -3.26 115.31 113.45 1r2u h LEU 78 Ca -0.15 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.39 1r2u h LEU 78 Cb 1.83 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1r2u h LEU 78 CO 0.21 1.36 0.16 -0.37 0.09 0.00 0.00 178.44 179.89 1r2u h VAL 79 N 0.10 0.51 -1.32 1.22 -1.51 -1.56 -2.31 116.25 111.38 1r2u h VAL 79 Ca -0.13 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.72 1r2u h VAL 79 Cb 1.93 0.87 -0.08 0.00 -2.13 0.00 0.00 31.29 31.88 1r2u h VAL 79 CO 0.20 0.00 0.91 0.24 -1.23 0.00 0.00 177.57 177.69 1r2u h MET 80 N 0.00 0.11 0.02 5.19 2.86 -1.65 0.58 114.93 122.03 1r2u h MET 80 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1r2u h MET 80 Cb 0.39 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1r2u h MET 80 CO -0.00 0.07 -0.01 0.52 1.06 0.00 0.00 176.91 178.55 1r2u h MET 81 N 0.11 -0.03 -0.22 1.72 2.86 -1.67 -3.32 114.93 114.37 1r2u h MET 81 Ca 0.70 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.25 1r2u h MET 81 Cb 2.43 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 34.08 1r2u h MET 81 CO -0.17 0.71 -0.25 -0.39 1.06 0.00 0.00 176.91 177.86 1r2u h VAL 82 N -0.92 1.26 0.00 -2.22 -1.51 -1.26 -2.70 116.25 108.90 1r2u h VAL 82 Ca -0.00 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1r2u h VAL 82 Cb 0.74 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1r2u h VAL 82 CO 0.00 0.39 -0.01 0.08 -1.23 0.00 0.00 177.57 176.81 1r2u h ARG 83 N 0.38 0.00 0.00 5.19 0.11 -0.05 -1.44 114.38 118.57 1r2u h ARG 83 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 1r2u h ARG 83 Cb 0.65 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.73 1r2u h ARG 83 CO 0.05 0.01 -0.02 0.00 0.10 0.00 0.00 179.97 180.10 1r2u n MET 85 N -4.36 3.36 0.00 0.00 2.81 -0.54 -4.83 117.12 113.56 1r2u n MET 85 Ca -0.03 -3.77 0.00 0.00 -1.81 0.00 0.00 57.70 52.09 1r2u n MET 85 Cb 0.11 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 1r2u n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1r2u n LYS 86 N -0.41 0.00 -2.69 0.03 2.85 -0.92 -4.76 118.16 112.25 1r2u n LYS 86 Ca 0.52 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.72 1r2u n LYS 86 Cb 0.24 -0.52 0.11 0.00 -0.65 0.00 0.00 35.03 34.21 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1r2u n ASP 87 N -0.14 -1.29 -4.56 -5.58 8.00 -1.26 -4.84 116.55 106.87 1r2u n ASP 87 Ca 0.00 -2.43 -0.39 0.00 0.71 0.00 0.00 54.79 52.68 1r2u n ASP 87 Cb 0.00 0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r2u s ASP 88 N -1.52 5.15 0.00 -2.24 -1.08 -1.26 -5.30 116.67 110.43 1r2u s ASP 88 Ca 0.21 0.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 1r2u s ASP 88 Cb 0.41 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 1r2u s ASP 88 CO -0.08 -2.36 0.00 -0.24 0.52 0.00 0.00 175.17 173.01