#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 6.60 0.00 7.83 -0.87 -1.26 -4.87 114.94 122.37 1r2u s ASN 2 Ca 0.00 2.16 0.28 0.00 -1.57 0.00 0.00 52.86 53.72 1r2u s ASN 2 Cb 0.00 -2.53 0.98 0.00 -0.02 0.00 0.00 41.25 39.67 1r2u s ASN 2 CO 0.00 -0.99 1.73 0.47 -2.57 0.00 0.00 177.10 175.74 1r2u n ASP 3 N 7.40 0.27 0.16 -1.22 9.92 -1.26 -3.44 116.55 128.39 1r2u n ASP 3 Ca 0.18 0.01 0.05 0.00 -0.53 0.00 0.00 54.79 54.50 1r2u n ASP 3 Cb 0.43 -0.15 0.06 0.00 -0.64 0.00 0.00 41.12 40.83 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r2u h ILE 4 N 0.12 0.61 -0.38 0.53 -0.00 -1.94 -2.91 117.51 113.54 1r2u h ILE 4 Ca 0.00 -1.87 -0.01 0.00 -0.00 0.00 0.00 64.86 62.98 1r2u h ILE 4 Cb 0.47 2.30 -0.02 0.00 -0.00 0.00 0.00 36.82 39.57 1r2u h ILE 4 CO 0.00 0.35 0.18 1.88 -0.00 0.00 0.00 178.15 180.56 1r2u h TYR 5 N 0.00 0.51 0.23 0.16 -1.99 -1.90 0.64 116.97 114.63 1r2u h TYR 5 Ca -0.01 -0.01 -0.33 0.00 2.00 0.00 0.00 58.73 60.39 1r2u h TYR 5 Cb 1.28 -0.17 0.04 0.00 2.00 0.00 0.00 36.73 39.88 1r2u h TYR 5 CO 0.00 0.38 -1.43 0.87 -0.00 0.00 0.00 178.16 177.99 1r2u h LYS 6 N 0.53 0.55 0.00 4.88 1.79 -1.75 -2.62 116.57 119.96 1r2u h LYS 6 Ca 0.14 -0.91 -0.04 0.00 -2.18 0.00 0.00 60.65 57.65 1r2u h LYS 6 Cb 0.06 0.33 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1r2u h LYS 6 CO -0.02 1.43 -0.20 0.00 -1.08 0.00 0.00 179.45 179.58 1r2u h ALA 7 N 0.17 1.27 0.07 3.86 0.00 -1.18 -2.70 119.26 120.75 1r2u h ALA 7 Ca -0.24 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1r2u h ALA 7 Cb 2.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1r2u h ALA 7 CO 0.27 0.25 -1.25 0.00 0.00 0.00 0.00 179.25 178.52 1r2u h ALA 8 N 1.80 0.29 -0.35 0.00 0.00 0.26 -3.34 119.26 117.91 1r2u h ALA 8 Ca -0.00 -0.99 0.08 0.00 0.00 0.00 0.00 54.91 53.99 1r2u h ALA 8 Cb 0.49 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1r2u h ALA 8 CO 0.03 1.16 -0.16 0.28 0.00 0.00 0.00 179.25 180.56 1r2u h VAL 9 N 0.04 0.51 0.00 0.00 2.07 -1.11 0.25 116.25 118.00 1r2u h VAL 9 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1r2u h VAL 9 Cb 1.91 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1r2u h VAL 9 CO 0.16 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 178.78 1r2u h GLU 10 N -0.10 0.00 0.15 1.57 4.11 -1.69 -2.55 114.58 116.07 1r2u h GLU 10 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.32 1r2u h GLU 10 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1r2u h GLU 10 CO -0.42 0.02 -1.42 1.96 0.07 0.00 0.00 179.01 179.23 1r2u h GLN 11 N 0.00 0.33 -7.23 1.06 4.20 -0.79 -3.47 115.11 109.21 1r2u h GLN 11 Ca -0.00 -0.56 -0.51 0.00 0.06 0.00 0.00 58.65 57.64 1r2u h GLN 11 Cb 0.12 0.21 0.11 0.00 0.30 0.00 0.00 27.48 28.22 1r2u h GLN 11 CO 0.00 1.27 0.36 -0.51 -0.67 0.00 0.00 178.83 179.28 1r2u s LEU 12 N -7.54 3.28 0.40 1.46 1.43 0.54 -5.06 118.68 113.20 1r2u s LEU 12 Ca -0.17 1.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.98 1r2u s LEU 12 Cb 0.04 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1r2u s LEU 12 CO 0.82 -1.79 0.34 0.42 0.23 0.00 0.00 176.35 176.37 1r2u s THR 13 N -2.48 2.78 0.44 5.49 -4.23 -1.26 -4.92 115.64 111.45 1r2u s THR 13 Ca 0.66 -1.39 0.12 0.00 -1.18 0.00 0.00 61.69 59.89 1r2u s THR 13 Cb -0.20 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.82 1r2u s THR 13 CO 0.46 -0.03 2.01 0.44 -0.54 0.00 0.00 174.62 176.95 1r2u h ASP 14 N 1.11 0.16 -0.91 3.99 3.32 -1.97 -2.31 116.42 119.82 1r2u h ASP 14 Ca -0.42 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.65 1r2u h ASP 14 Cb 1.26 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 1r2u h ASP 14 CO 0.59 0.24 0.59 -0.33 -1.72 0.00 0.00 179.24 178.60 1r2u h GLU 15 N 0.18 1.08 -0.26 3.56 5.08 -1.98 0.83 114.58 123.07 1r2u h GLU 15 Ca 0.04 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1r2u h GLU 15 Cb 0.20 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1r2u h GLU 15 CO 0.01 0.72 0.10 1.96 -1.00 0.00 0.00 179.01 180.80 1r2u h GLN 16 N 1.12 0.22 -0.09 2.33 1.08 -1.82 -0.07 115.11 117.88 1r2u h GLN 16 Ca 0.37 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.46 1r2u h GLN 16 Cb 0.05 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1r2u h GLN 16 CO -0.13 0.15 -0.41 0.87 -0.95 0.00 0.00 178.83 178.35 1r2u h LYS 17 N 0.23 0.19 -0.39 1.46 6.56 -1.48 -1.18 116.57 121.96 1r2u h LYS 17 Ca 0.11 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1r2u h LYS 17 Cb 0.07 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 1r2u h LYS 17 CO -0.11 0.58 0.17 -0.91 -2.06 0.00 0.00 179.45 177.12 1r2u h ASN 18 N 0.16 0.53 -0.34 0.86 2.35 -0.09 0.25 115.58 119.30 1r2u h ASN 18 Ca 0.01 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 1r2u h ASN 18 Cb 0.80 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1r2u h ASN 18 CO 0.06 0.54 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.99 1r2u h GLU 19 N 0.49 0.65 -0.63 0.81 5.08 -0.88 -1.81 114.58 118.30 1r2u h GLU 19 Ca 0.13 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 19 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1r2u h GLU 19 CO -0.01 0.81 0.41 0.74 -1.00 0.00 0.00 179.01 179.96 1r2u h PHE 20 N 0.44 0.78 0.03 4.33 -1.00 -1.00 0.46 116.94 120.98 1r2u h PHE 20 Ca 0.09 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 1r2u h PHE 20 Cb 0.56 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1r2u h PHE 20 CO 0.05 0.49 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.00 1r2u h LYS 21 N 0.84 -0.04 -0.50 1.51 1.63 -0.42 -0.79 116.57 118.80 1r2u h LYS 21 Ca 0.23 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1r2u h LYS 21 Cb -0.09 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1r2u h LYS 21 CO -0.05 0.15 0.17 0.00 -3.45 0.00 0.00 179.45 176.27 1r2u h ALA 22 N 0.73 0.66 0.00 5.00 0.00 -1.16 0.45 119.26 124.93 1r2u h ALA 22 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1r2u h ALA 22 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r2u h ALA 22 CO 0.01 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 1r2u h ALA 23 N 1.03 1.57 0.00 0.00 0.00 0.01 -1.35 119.26 120.52 1r2u h ALA 23 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1r2u h ALA 23 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1r2u h ALA 23 CO -0.01 0.05 -0.30 0.35 0.00 0.00 0.00 179.25 179.34 1r2u h PHE 24 N 0.00 0.00 -1.00 0.00 3.57 -0.49 -3.36 116.94 115.66 1r2u h PHE 24 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1r2u h PHE 24 Cb 0.09 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1r2u h PHE 24 CO 0.00 0.60 0.62 0.22 -2.23 0.00 0.00 178.31 177.52 1r2u h ASP 25 N -1.00 0.84 -0.52 0.41 1.82 -0.77 -0.41 116.42 116.79 1r2u h ASP 25 Ca -0.06 0.07 0.07 0.00 -0.39 0.00 0.00 57.03 56.72 1r2u h ASP 25 Cb 0.65 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1r2u h ASP 25 CO -0.04 0.38 0.35 0.16 -1.61 0.00 0.00 179.24 178.48 1r2u h ILE 26 N 0.86 0.95 0.00 2.25 3.07 -1.41 -0.53 117.51 122.70 1r2u h ILE 26 Ca 0.53 -0.14 -0.18 0.00 1.55 0.00 0.00 64.86 66.61 1r2u h ILE 26 Cb 0.70 0.50 -0.03 0.00 -0.27 0.00 0.00 36.82 37.72 1r2u h ILE 26 CO -0.31 0.08 -1.44 -0.26 -1.05 0.00 0.00 178.15 175.17 1r2u h PHE 27 N 0.42 0.00 -0.35 0.16 0.04 -1.32 -3.32 116.94 112.56 1r2u h PHE 27 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1r2u h PHE 27 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1r2u h PHE 27 CO -0.00 0.64 0.00 -0.89 -0.60 0.00 0.00 178.31 177.46 1r2u n ILE 28 N -2.92 0.66 0.10 -0.55 2.08 -0.30 -4.09 119.36 114.35 1r2u n ILE 28 Ca -0.10 -0.52 -0.01 0.00 0.56 0.00 0.00 62.75 62.67 1r2u n ILE 28 Cb 0.87 0.11 0.26 0.00 -0.75 0.00 0.00 39.64 40.13 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 0.22 -0.06 0.38 3.07 -1.24 -3.15 115.11 116.41 1r2u h GLN 29 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.65 1r2u h GLN 29 Cb 0.63 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1r2u h GLN 29 CO 0.05 0.56 0.00 -0.40 0.09 0.00 0.00 178.83 179.13 1r2u n ASP 30 N -4.07 1.84 -4.78 0.06 5.75 -1.26 -5.03 116.55 109.06 1r2u n ASP 30 Ca -0.01 -1.48 -0.35 0.00 -0.01 0.00 0.00 54.79 52.94 1r2u n ASP 30 Cb 0.44 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.68 2.71 -0.18 2.12 0.00 -1.19 -4.98 121.76 119.55 1r2u s ALA 31 Ca 0.10 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1r2u s ALA 31 Cb 0.06 -3.34 -0.22 0.00 0.00 0.00 0.00 23.12 19.62 1r2u s ALA 31 CO 0.09 -0.73 0.10 0.39 0.00 0.00 0.00 175.76 175.60 1r2u n GLU 32 N -1.32 0.69 -0.02 0.00 -0.58 -1.26 -4.55 120.64 113.60 1r2u n GLU 32 Ca 0.11 0.18 -0.20 0.00 -0.42 0.00 0.00 57.16 56.83 1r2u n GLU 32 Cb 0.51 -1.61 -0.13 0.00 -0.57 0.00 0.00 31.44 29.64 1r2u n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1r2u h ASP 33 N 0.02 0.27 0.00 1.62 5.19 -1.98 -3.49 116.42 118.06 1r2u h ASP 33 Ca -0.50 -0.84 0.00 0.00 -0.62 0.00 0.00 57.03 55.07 1r2u h ASP 33 Cb 2.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.42 1r2u h ASP 33 CO 0.00 1.45 0.00 0.61 -3.12 0.00 0.00 179.24 178.18 1r2u n GLY 34 N 1.66 0.99 3.75 2.75 0.00 -1.26 -5.15 105.19 107.91 1r2u n GLY 34 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.43 0.00 -3.32 0.00 -6.64 -0.67 -4.82 119.36 103.48 1r2u n ILE 36 Ca -0.03 -1.98 -0.38 0.00 -1.77 0.00 0.00 62.75 58.58 1r2u n ILE 36 Cb 0.60 -0.41 -0.06 0.00 -1.44 0.00 0.00 39.64 38.33 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -4.51 6.83 0.20 7.28 0.15 -1.26 -0.44 113.70 121.95 1r2u s SER 37 Ca 0.54 0.99 -0.10 0.00 0.70 0.00 0.00 55.95 58.08 1r2u s SER 37 Cb -0.04 -2.31 0.22 0.00 -1.71 0.00 0.00 66.02 62.18 1r2u s SER 37 CO 0.34 0.13 1.80 0.71 1.20 0.00 0.00 173.24 177.43 1r2u h THR 38 N 4.21 0.96 0.00 6.45 1.35 -1.80 -0.35 112.91 123.73 1r2u h THR 38 Ca -0.45 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 1r2u h THR 38 Cb 1.20 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1r2u h THR 38 CO 0.69 0.12 -0.03 0.07 -0.25 0.00 0.00 175.52 176.12 1r2u h LYS 39 N 0.64 0.00 -0.38 4.72 2.10 -1.94 -2.54 116.57 119.17 1r2u h LYS 39 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1r2u h LYS 39 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1r2u h LYS 39 CO -0.18 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 177.69 1r2u n GLU 40 N -3.15 2.10 -1.72 0.07 -0.58 -0.18 -4.65 120.64 112.53 1r2u n GLU 40 Ca 0.00 -1.69 -0.42 0.00 -0.42 0.00 0.00 57.16 54.63 1r2u n GLU 40 Cb 0.29 -1.41 -0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1r2u n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r2u n LEU 41 N 0.89 7.07 0.00 -4.62 0.00 -0.96 -3.57 117.00 115.81 1r2u n LEU 41 Ca 0.17 -4.20 0.00 0.00 0.00 0.00 0.00 56.01 51.98 1r2u n LEU 41 Cb 0.43 -1.64 0.00 0.00 0.00 0.00 0.00 43.42 42.21 1r2u n LEU 41 CO 0.13 1.23 0.00 0.61 0.00 0.00 0.00 177.39 179.36 1r2u n GLY 42 N 3.96 -0.29 0.24 -3.96 0.00 -1.26 -4.75 105.19 99.13 1r2u n GLY 42 Ca 0.54 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.19 1.61 2.10 -1.94 -2.26 116.57 115.89 1r2u h LYS 43 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 1r2u h LYS 43 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1r2u h LYS 43 CO 0.00 0.14 -0.63 -0.39 -2.00 0.00 0.00 179.45 176.57 1r2u h VAL 44 N 0.00 1.31 0.00 0.07 -1.51 -1.90 -2.38 116.25 111.84 1r2u h VAL 44 Ca -0.00 -1.87 -0.19 0.00 -1.23 0.00 0.00 66.70 63.41 1r2u h VAL 44 Cb 0.74 1.83 -0.03 0.00 -2.13 0.00 0.00 31.29 31.70 1r2u h VAL 44 CO 0.02 0.59 -0.91 0.24 -1.23 0.00 0.00 177.57 176.28 1r2u h MET 45 N 0.50 0.02 -0.55 5.19 2.86 -1.86 -2.30 114.93 118.78 1r2u h MET 45 Ca -0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1r2u h MET 45 Cb 1.21 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1r2u h MET 45 CO 0.12 0.91 0.19 -0.09 1.06 0.00 0.00 176.91 179.11 1r2u h ARG 46 N 0.01 0.84 -0.00 1.72 2.43 -1.35 -2.55 114.38 115.47 1r2u h ARG 46 Ca -0.01 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 1r2u h ARG 46 Cb 1.60 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 1r2u h ARG 46 CO 0.12 0.75 -0.66 0.52 -1.51 0.00 0.00 179.97 179.19 1r2u h MET 47 N 0.76 0.02 -0.47 0.20 2.86 -1.44 -3.22 114.93 113.63 1r2u h MET 47 Ca 0.18 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1r2u h MET 47 Cb 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 47 CO -0.01 0.67 0.16 1.25 1.06 0.00 0.00 176.91 180.04 1r2u h LEU 48 N 0.01 0.15 0.00 1.22 7.12 -1.00 -3.46 115.31 119.35 1r2u h LEU 48 Ca -0.01 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1r2u h LEU 48 Cb 1.17 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1r2u h LEU 48 CO 0.09 0.11 0.00 0.61 -0.13 0.00 0.00 178.44 179.12 1r2u n GLY 49 N -1.26 1.49 3.74 3.75 0.00 -1.11 -5.11 105.19 106.69 1r2u n GLY 49 Ca 0.04 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1r2u n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r2u n GLN 50 N 0.00 -0.93 -3.01 1.61 3.00 -1.18 -5.00 117.38 111.88 1r2u n GLN 50 Ca 0.00 -2.17 -0.08 0.00 -0.01 0.00 0.00 57.00 54.74 1r2u n GLN 50 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 30.24 29.09 1r2u n GLN 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1r2u s ASN 51 N -5.49 -0.71 0.73 1.08 2.47 -1.26 -3.76 114.94 108.00 1r2u s ASN 51 Ca 0.70 -1.79 0.00 0.00 0.42 0.00 0.00 52.86 52.19 1r2u s ASN 51 Cb -0.02 1.37 0.00 0.00 -1.45 0.00 0.00 41.25 41.15 1r2u s ASN 51 CO 0.49 -0.11 0.00 -0.81 -3.72 0.00 0.00 177.10 172.94 1r2u n PRO 52 N 3.30 0.31 -3.51 0.43 -0.04 -1.26 -5.08 135.00 129.16 1r2u n PRO 52 Ca 0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 1r2u n PRO 52 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.59 3.09 0.28 0.52 -4.23 -1.26 -4.97 115.64 108.48 1r2u s THR 53 Ca 0.00 -1.25 0.20 0.00 -1.18 0.00 0.00 61.69 59.46 1r2u s THR 53 Cb 0.00 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1r2u s THR 53 CO 0.00 -0.06 1.85 1.55 -0.54 0.00 0.00 174.62 177.42 1r2u h PRO 54 N 0.99 0.00 0.23 3.99 0.13 -1.99 -1.77 132.00 133.59 1r2u h PRO 54 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 1r2u h PRO 54 Cb 1.26 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.43 1r2u h PRO 54 CO 0.55 0.29 -1.45 0.93 -0.23 0.00 0.00 178.00 178.09 1r2u h GLU 55 N 0.00 0.49 0.66 0.86 5.08 -1.99 -2.96 114.58 116.72 1r2u h GLU 55 Ca -0.00 -0.84 -0.03 0.00 -1.00 0.00 0.00 59.36 57.48 1r2u h GLU 55 Cb 0.68 0.31 0.01 0.00 0.50 0.00 0.00 28.75 30.25 1r2u h GLU 55 CO 0.04 1.40 -0.32 0.93 -1.00 0.00 0.00 179.01 180.06 1r2u h GLU 56 N 0.13 -0.86 -0.48 2.33 5.08 -1.91 -3.00 114.58 115.87 1r2u h GLU 56 Ca -0.24 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1r2u h GLU 56 Cb 2.14 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 31.56 1r2u h GLU 56 CO 0.26 -0.54 0.34 1.37 -1.00 0.00 0.00 179.01 179.44 1r2u h LEU 57 N -1.11 0.15 -0.60 1.33 8.10 -1.48 -1.69 115.31 120.01 1r2u h LEU 57 Ca -0.09 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.97 1r2u h LEU 57 Cb 0.72 -0.03 -0.06 0.00 -0.44 0.00 0.00 40.66 40.86 1r2u h LEU 57 CO 0.15 0.09 0.30 -0.61 -4.11 0.00 0.00 178.44 174.26 1r2u h GLN 58 N 0.16 0.54 -0.69 0.17 -0.00 -1.38 -1.34 115.11 112.57 1r2u h GLN 58 Ca 0.23 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.79 1r2u h GLN 58 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 1r2u h GLN 58 CO -0.03 0.36 0.23 0.93 0.00 0.00 0.00 178.83 180.31 1r2u h GLU 59 N 0.55 1.05 -0.53 1.69 5.08 -1.24 -2.84 114.58 118.35 1r2u h GLU 59 Ca 0.28 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1r2u h GLU 59 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1r2u h GLU 59 CO -0.20 0.89 0.23 0.52 -1.00 0.00 0.00 179.01 179.44 1r2u h MET 60 N 1.02 0.77 0.06 2.33 2.86 -1.26 -1.67 114.93 119.04 1r2u h MET 60 Ca 0.23 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1r2u h MET 60 Cb 0.26 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1r2u h MET 60 CO -0.01 0.66 -0.07 0.82 1.06 0.00 0.00 176.91 179.37 1r2u h ILE 61 N 0.71 0.00 -0.92 -1.22 2.04 -1.04 0.19 117.51 117.27 1r2u h ILE 61 Ca 0.18 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.22 1r2u h ILE 61 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 1r2u h ILE 61 CO -0.02 0.00 0.59 0.44 0.00 0.00 0.00 178.15 179.17 1r2u h ASP 62 N -0.13 0.53 -0.02 1.72 5.19 -1.58 0.50 116.42 122.63 1r2u h ASP 62 Ca -0.01 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1r2u h ASP 62 Cb 0.11 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1r2u h ASP 62 CO -0.01 0.22 0.00 -0.33 -3.12 0.00 0.00 179.24 176.00 1r2u h GLU 63 N 0.53 0.03 0.00 3.56 4.39 -0.99 -3.07 114.58 119.03 1r2u h GLU 63 Ca 0.48 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.13 1r2u h GLU 63 Cb 1.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1r2u h GLU 63 CO -0.22 0.30 -0.19 -0.39 -1.16 0.00 0.00 179.01 177.36 1r2u h VAL 64 N -0.25 0.46 -0.62 3.13 -1.51 0.20 -3.40 116.25 114.26 1r2u h VAL 64 Ca 0.00 -1.03 -0.22 0.00 -1.23 0.00 0.00 66.70 64.22 1r2u h VAL 64 Cb 0.28 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 1r2u h VAL 64 CO 0.00 0.18 0.56 -0.62 -1.23 0.00 0.00 177.57 176.47 1r2u s ASP 65 N -6.12 4.83 0.15 4.19 -1.08 0.09 -4.64 116.67 114.10 1r2u s ASP 65 Ca 0.01 -0.52 -0.06 0.00 -0.52 0.00 0.00 52.55 51.46 1r2u s ASP 65 Cb 0.10 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1r2u s ASP 65 CO 0.62 -3.03 1.42 -0.33 0.52 0.00 0.00 175.17 174.36 1r2u h GLU 66 N 11.60 0.60 0.09 4.34 5.08 -1.85 -3.30 114.58 131.14 1r2u h GLU 66 Ca 0.08 -0.45 -0.32 0.00 -1.00 0.00 0.00 59.36 57.67 1r2u h GLU 66 Cb 1.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1r2u h GLU 66 CO 1.16 1.07 -1.70 0.38 -1.00 0.00 0.00 179.01 178.92 1r2u h ASP 67 N 0.43 0.29 -3.58 1.42 3.04 -1.97 -3.49 116.42 112.56 1r2u h ASP 67 Ca -0.02 -0.51 -0.16 0.00 -3.24 0.00 0.00 57.03 53.10 1r2u h ASP 67 Cb 1.26 -0.09 0.08 0.00 -1.04 0.00 0.00 39.33 39.53 1r2u h ASP 67 CO 0.13 1.44 -0.34 0.61 -2.04 0.00 0.00 179.24 179.03 1r2u n GLY 68 N 1.73 0.11 0.11 7.15 0.00 -1.24 -4.99 105.19 108.05 1r2u n GLY 68 Ca -0.21 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1r2u n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r2u h SER 69 N -0.95 0.01 0.00 1.61 4.64 -1.94 -3.49 113.55 113.42 1r2u h SER 69 Ca -0.27 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1r2u h SER 69 Cb 1.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1r2u h SER 69 CO 0.24 1.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.31 1r2u n GLY 70 N 1.45 0.72 3.60 -0.77 0.00 -1.26 -5.14 105.19 103.78 1r2u n GLY 70 Ca -0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 3.35 -0.30 2.61 -4.23 -1.26 -2.50 115.64 113.30 1r2u s THR 71 Ca 0.00 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1r2u s THR 71 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1r2u s THR 71 CO 0.00 -0.09 0.18 -0.69 -0.54 0.00 0.00 174.62 173.48 1r2u s VAL 72 N -1.67 4.96 0.77 2.29 1.01 0.41 -4.80 120.40 123.37 1r2u s VAL 72 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1r2u s VAL 72 Cb -0.09 -3.46 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1r2u s VAL 72 CO 0.16 0.13 1.09 -1.81 0.00 0.00 0.00 175.10 174.67 1r2u s ASP 73 N 1.69 4.32 0.39 3.32 1.01 -1.26 -1.66 116.67 124.48 1r2u s ASP 73 Ca 0.06 0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1r2u s ASP 73 Cb -0.17 -0.71 0.81 0.00 1.01 0.00 0.00 42.92 43.86 1r2u s ASP 73 CO 0.08 -1.92 1.99 0.15 0.21 0.00 0.00 175.17 175.69 1r2u h PHE 74 N -0.84 0.44 -0.57 4.23 3.57 -1.98 0.35 116.94 122.15 1r2u h PHE 74 Ca -0.43 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1r2u h PHE 74 Cb 1.29 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1r2u h PHE 74 CO -0.11 0.36 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.87 1r2u h ASP 75 N 0.44 1.01 1.63 0.41 5.19 -1.99 0.16 116.42 123.26 1r2u h ASP 75 Ca 0.11 -0.32 -0.04 0.00 -0.62 0.00 0.00 57.03 56.17 1r2u h ASP 75 Cb 0.12 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1r2u h ASP 75 CO -0.01 1.08 -0.17 -0.33 -3.12 0.00 0.00 179.24 176.69 1r2u h GLU 76 N 0.91 0.00 0.08 3.56 5.08 -1.65 -2.68 114.58 119.89 1r2u h GLU 76 Ca 0.16 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 76 Cb 0.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.86 1r2u h GLU 76 CO 0.03 0.17 -1.16 0.35 -1.00 0.00 0.00 179.01 177.40 1r2u h PHE 77 N 0.00 1.01 0.01 4.33 3.57 0.15 -3.29 116.94 122.71 1r2u h PHE 77 Ca -0.00 -0.61 -0.24 0.00 3.53 0.00 0.00 57.97 60.65 1r2u h PHE 77 Cb 1.03 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.69 1r2u h PHE 77 CO 0.00 1.45 -1.00 -0.07 -2.23 0.00 0.00 178.31 176.46 1r2u h LEU 78 N 0.29 0.67 -2.03 0.59 3.38 -1.01 -3.24 115.31 113.97 1r2u h LEU 78 Ca -0.17 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.32 1r2u h LEU 78 Cb 1.83 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1r2u h LEU 78 CO 0.22 1.35 0.17 -0.37 0.09 0.00 0.00 178.44 179.91 1r2u h VAL 79 N 0.28 0.84 -1.08 1.22 -1.51 -1.59 -2.44 116.25 111.97 1r2u h VAL 79 Ca -0.10 0.00 0.37 0.00 -1.23 0.00 0.00 66.70 65.74 1r2u h VAL 79 Cb 1.64 0.88 -0.15 0.00 -2.13 0.00 0.00 31.29 31.53 1r2u h VAL 79 CO 0.18 0.00 0.63 0.24 -1.23 0.00 0.00 177.57 177.39 1r2u h MET 80 N 0.00 0.18 0.55 5.19 2.86 -1.62 0.66 114.93 122.75 1r2u h MET 80 Ca 0.11 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 80 Cb 0.46 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1r2u h MET 80 CO -0.00 0.12 -0.27 0.52 1.06 0.00 0.00 176.91 178.34 1r2u h MET 81 N 0.19 -0.72 -0.14 1.72 2.86 -1.67 -3.08 114.93 114.09 1r2u h MET 81 Ca 0.78 0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 58.41 1r2u h MET 81 Cb 2.03 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.84 1r2u h MET 81 CO -0.59 -0.41 -0.18 -0.39 1.06 0.00 0.00 176.91 176.39 1r2u h VAL 82 N -1.06 1.20 -0.00 -2.22 -1.51 -1.30 -2.44 116.25 108.92 1r2u h VAL 82 Ca -0.08 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1r2u h VAL 82 Cb 0.63 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1r2u h VAL 82 CO 0.12 0.28 0.00 0.03 -1.23 0.00 0.00 177.57 176.78 1r2u h ARG 83 N 0.22 0.00 0.00 5.19 3.08 0.23 -0.82 114.38 122.27 1r2u h ARG 83 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1r2u h ARG 83 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1r2u h ARG 83 CO 0.03 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.82 1r2u n MET 85 N -4.15 2.70 -0.09 0.00 2.81 -0.31 -4.53 117.12 113.55 1r2u n MET 85 Ca -0.02 -3.38 -0.15 0.00 -1.81 0.00 0.00 57.70 52.34 1r2u n MET 85 Cb 0.19 -2.25 -0.07 0.00 -0.71 0.00 0.00 33.22 30.38 1r2u n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1r2u n LYS 86 N -0.45 0.52 -0.05 0.03 4.76 -0.98 -4.66 118.16 117.32 1r2u n LYS 86 Ca 0.54 0.48 -0.19 0.00 -2.87 0.00 0.00 58.31 56.28 1r2u n LYS 86 Cb 0.31 -1.66 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 1r2u n LYS 86 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1r2u h ASP 87 N -1.00 0.12 -4.94 4.39 1.82 -1.84 -3.48 116.42 111.49 1r2u h ASP 87 Ca -0.23 -0.81 -0.38 0.00 -0.39 0.00 0.00 57.03 55.22 1r2u h ASP 87 Cb 1.01 -0.04 0.10 0.00 0.68 0.00 0.00 39.33 41.08 1r2u h ASP 87 CO -0.14 1.32 -0.61 -0.67 -1.61 0.00 0.00 179.24 177.53 1r2u n ASP 88 N -4.37 -6.07 0.00 2.28 2.03 -1.26 -5.25 116.55 103.91 1r2u n ASP 88 Ca -0.20 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1r2u n ASP 88 Cb 0.66 -4.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08