#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 6.05 0.00 3.17 -0.87 -1.26 -4.94 114.94 117.09 1r2u s ASN 2 Ca 0.00 2.75 0.00 0.00 -1.57 0.00 0.00 52.86 54.04 1r2u s ASN 2 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1r2u s ASN 2 CO 0.00 -1.04 0.66 0.47 -2.57 0.00 0.00 177.10 174.62 1r2u n ASP 3 N -0.12 1.28 0.19 -1.22 8.00 -1.26 -4.66 116.55 118.75 1r2u n ASP 3 Ca 0.05 -1.39 0.05 0.00 0.71 0.00 0.00 54.79 54.22 1r2u n ASP 3 Cb 0.43 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.86 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r2u h ILE 4 N 0.20 0.93 -0.27 0.53 -2.65 -1.97 -2.30 117.51 111.98 1r2u h ILE 4 Ca 0.00 -1.54 -0.13 0.00 1.03 0.00 0.00 64.86 64.23 1r2u h ILE 4 Cb 0.27 1.93 -0.01 0.00 -2.05 0.00 0.00 36.82 36.95 1r2u h ILE 4 CO 0.00 0.38 -0.36 1.88 0.03 0.00 0.00 178.15 180.08 1r2u h TYR 5 N 0.00 0.69 -0.22 0.16 0.05 -1.95 -0.17 116.97 115.52 1r2u h TYR 5 Ca -0.00 -0.19 -0.16 0.00 0.05 0.00 0.00 58.73 58.43 1r2u h TYR 5 Cb 0.89 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.48 1r2u h TYR 5 CO 0.00 0.87 -0.48 0.87 -1.05 0.00 0.00 178.16 178.36 1r2u h LYS 6 N 0.50 0.72 -0.11 4.88 1.79 -1.81 -1.49 116.57 121.05 1r2u h LYS 6 Ca 0.05 -0.48 -0.07 0.00 -2.18 0.00 0.00 60.65 57.97 1r2u h LYS 6 Cb 0.85 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1r2u h LYS 6 CO 0.07 1.10 -0.25 0.00 -1.08 0.00 0.00 179.45 179.29 1r2u h ALA 7 N 0.62 1.38 -0.01 3.86 0.00 -1.30 -2.58 119.26 121.23 1r2u h ALA 7 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1r2u h ALA 7 Cb 1.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1r2u h ALA 7 CO 0.11 0.43 -0.77 0.00 0.00 0.00 0.00 179.25 179.02 1r2u h ALA 8 N 1.57 0.69 -0.56 0.00 0.00 -0.88 -3.30 119.26 116.79 1r2u h ALA 8 Ca 0.03 -0.68 0.11 0.00 0.00 0.00 0.00 54.91 54.37 1r2u h ALA 8 Cb 0.55 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1r2u h ALA 8 CO 0.04 0.90 -0.10 0.28 0.00 0.00 0.00 179.25 180.37 1r2u h VAL 9 N 0.06 0.47 0.00 0.00 2.07 -0.84 0.39 116.25 118.40 1r2u h VAL 9 Ca -0.02 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1r2u h VAL 9 Cb 1.36 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1r2u h VAL 9 CO 0.11 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.35 1r2u h GLU 10 N 0.03 0.00 0.00 1.57 5.08 -1.65 -2.47 114.58 117.13 1r2u h GLU 10 Ca 0.27 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 1r2u h GLU 10 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1r2u h GLU 10 CO -0.55 0.02 -1.46 1.96 -1.00 0.00 0.00 179.01 177.98 1r2u h GLN 11 N 0.00 0.00 -6.67 2.33 4.20 -0.52 -3.47 115.11 110.99 1r2u h GLN 11 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1r2u h GLN 11 Cb 0.30 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.14 1r2u h GLN 11 CO 0.00 0.38 0.98 -0.51 -0.67 0.00 0.00 178.83 179.02 1r2u s LEU 12 N -5.94 4.37 0.38 1.46 1.43 0.75 -5.00 118.68 116.13 1r2u s LEU 12 Ca -0.03 2.84 0.08 0.00 -1.03 0.00 0.00 54.13 55.99 1r2u s LEU 12 Cb 0.08 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1r2u s LEU 12 CO 0.81 -0.95 0.16 0.42 0.23 0.00 0.00 176.35 177.03 1r2u s THR 13 N 1.04 2.60 0.32 5.49 -4.23 -1.26 -5.00 115.64 114.60 1r2u s THR 13 Ca 0.73 -1.70 0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1r2u s THR 13 Cb -0.49 -2.97 0.06 0.00 1.34 0.00 0.00 72.50 70.45 1r2u s THR 13 CO 0.34 -0.08 1.75 0.44 -0.54 0.00 0.00 174.62 176.53 1r2u h ASP 14 N 1.48 0.19 -0.68 3.99 3.32 -1.98 -2.59 116.42 120.15 1r2u h ASP 14 Ca -0.43 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1r2u h ASP 14 Cb 1.25 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1r2u h ASP 14 CO 0.66 0.55 0.19 1.05 -1.72 0.00 0.00 179.24 179.98 1r2u h GLU 15 N 0.16 1.07 -0.09 3.56 4.11 -1.99 0.11 114.58 121.51 1r2u h GLU 15 Ca 0.02 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 1r2u h GLU 15 Cb 0.73 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r2u h GLU 15 CO 0.06 0.94 -0.01 1.96 0.07 0.00 0.00 179.01 182.02 1r2u h GLN 16 N 1.00 0.16 0.00 1.06 4.20 -1.92 -2.75 115.11 116.86 1r2u h GLN 16 Ca 0.22 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1r2u h GLN 16 Cb 0.33 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1r2u h GLN 16 CO -0.00 0.45 -0.10 0.87 -0.67 0.00 0.00 178.83 179.37 1r2u h LYS 17 N -0.14 0.00 -0.15 1.46 6.56 -1.37 -0.82 116.57 122.10 1r2u h LYS 17 Ca 0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1r2u h LYS 17 Cb 0.38 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1r2u h LYS 17 CO 0.01 0.10 -0.03 -0.97 -2.06 0.00 0.00 179.45 176.49 1r2u h ASN 18 N 0.00 0.29 -0.24 0.86 -0.73 -0.52 0.52 115.58 115.77 1r2u h ASN 18 Ca -0.00 -0.36 -0.12 0.00 1.87 0.00 0.00 56.30 57.69 1r2u h ASN 18 Cb 0.44 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 1r2u h ASN 18 CO 0.01 0.58 -0.30 -0.33 -0.37 0.00 0.00 177.43 177.02 1r2u h GLU 19 N -0.01 0.62 -0.56 6.67 4.39 -1.26 -2.23 114.58 122.20 1r2u h GLU 19 Ca 0.04 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1r2u h GLU 19 Cb 0.46 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1r2u h GLU 19 CO 0.01 0.96 0.26 0.74 -1.16 0.00 0.00 179.01 179.82 1r2u h PHE 20 N 0.32 0.82 -0.22 4.33 -1.00 -1.13 0.18 116.94 120.25 1r2u h PHE 20 Ca 0.03 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1r2u h PHE 20 Cb 0.88 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 1r2u h PHE 20 CO 0.08 0.65 0.09 -0.22 -1.61 0.00 0.00 178.31 177.30 1r2u h LYS 21 N 0.76 0.32 -0.37 1.51 1.63 0.07 0.72 116.57 121.21 1r2u h LYS 21 Ca 0.19 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1r2u h LYS 21 Cb 0.14 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1r2u h LYS 21 CO -0.02 0.37 -0.05 0.00 -3.45 0.00 0.00 179.45 176.29 1r2u h ALA 22 N 0.94 0.50 0.00 5.00 0.00 -1.29 0.42 119.26 124.83 1r2u h ALA 22 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1r2u h ALA 22 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r2u h ALA 22 CO -0.01 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.44 1r2u h ALA 23 N 0.84 1.26 0.00 0.00 0.00 -0.55 -1.91 119.26 118.90 1r2u h ALA 23 Ca 0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 23 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1r2u h ALA 23 CO 0.03 0.16 -0.79 0.35 0.00 0.00 0.00 179.25 179.00 1r2u h PHE 24 N 0.00 0.00 -1.00 0.00 3.57 -0.51 -3.38 116.94 115.62 1r2u h PHE 24 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1r2u h PHE 24 Cb 0.37 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1r2u h PHE 24 CO 0.00 0.94 0.63 0.22 -2.23 0.00 0.00 178.31 177.87 1r2u h ASP 25 N -1.00 0.89 -0.92 0.41 3.58 -0.13 0.82 116.42 120.08 1r2u h ASP 25 Ca -0.18 0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.46 1r2u h ASP 25 Cb 0.97 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 1r2u h ASP 25 CO -0.11 0.44 0.59 0.16 -2.88 0.00 0.00 179.24 177.44 1r2u h ILE 26 N 0.94 0.87 0.02 2.25 3.07 -1.53 -0.86 117.51 122.26 1r2u h ILE 26 Ca 0.52 -0.27 -0.26 0.00 1.55 0.00 0.00 64.86 66.40 1r2u h ILE 26 Cb 0.58 0.01 -0.03 0.00 -0.27 0.00 0.00 36.82 37.11 1r2u h ILE 26 CO -0.29 0.14 -1.38 -0.26 -1.05 0.00 0.00 178.15 175.31 1r2u h PHE 27 N 0.79 0.08 -0.66 0.16 0.04 -1.34 -3.33 116.94 112.68 1r2u h PHE 27 Ca 0.46 -0.06 -0.42 0.00 2.80 0.00 0.00 57.97 60.75 1r2u h PHE 27 Cb 0.63 -0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.58 1r2u h PHE 27 CO -0.00 1.07 0.54 -0.89 -0.60 0.00 0.00 178.31 178.43 1r2u n ILE 28 N -3.24 2.93 0.15 -0.55 2.08 0.14 -4.41 119.36 116.46 1r2u n ILE 28 Ca -0.10 -1.90 -0.00 0.00 0.56 0.00 0.00 62.75 61.31 1r2u n ILE 28 Cb 1.00 -1.13 0.22 0.00 -0.75 0.00 0.00 39.64 38.99 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 1.42 0.01 -0.04 0.38 3.07 -1.43 -3.37 115.11 115.14 1r2u h GLN 29 Ca 0.41 -0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.95 1r2u h GLN 29 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.60 1r2u h GLN 29 CO 0.98 0.55 -0.36 -3.47 0.09 0.00 0.00 178.83 176.62 1r2u n ASP 30 N -3.89 -1.45 -4.77 0.06 2.03 -1.26 -5.14 116.55 102.13 1r2u n ASP 30 Ca -0.01 -2.32 -0.32 0.00 0.52 0.00 0.00 54.79 52.66 1r2u n ASP 30 Cb 0.56 0.74 0.06 0.00 -0.72 0.00 0.00 41.12 41.76 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 -0.08 2.40 -0.00 -1.67 0.00 -1.26 -4.98 121.76 116.17 1r2u s ALA 31 Ca 0.15 0.43 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 1r2u s ALA 31 Cb 0.43 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 20.08 1r2u s ALA 31 CO -0.11 -1.45 1.25 0.93 0.00 0.00 0.00 175.76 176.38 1r2u h GLU 32 N -0.42 -0.22 0.00 0.00 5.08 -1.97 -3.38 114.58 113.67 1r2u h GLU 32 Ca -0.45 0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 57.62 1r2u h GLU 32 Cb 1.24 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1r2u h GLU 32 CO 0.53 0.14 -2.11 -0.25 -1.00 0.00 0.00 179.01 176.32 1r2u n ASP 33 N -5.02 1.68 0.00 1.42 9.92 -1.26 -5.04 116.55 118.25 1r2u n ASP 33 Ca -0.09 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1r2u n ASP 33 Cb 0.24 0.36 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N 2.25 0.58 3.60 0.44 0.00 -1.26 -5.17 105.19 105.62 1r2u n GLY 34 Ca -0.30 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.37 0.00 -3.51 0.00 -6.64 0.15 -4.79 119.36 104.19 1r2u n ILE 36 Ca -0.07 -1.98 -0.38 0.00 -1.77 0.00 0.00 62.75 58.55 1r2u n ILE 36 Cb 0.62 -0.41 -0.06 0.00 -1.44 0.00 0.00 39.64 38.35 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 -4.50 6.74 0.26 7.28 0.15 -1.26 0.42 113.70 122.79 1r2u s SER 37 Ca 0.54 0.88 -0.03 0.00 0.70 0.00 0.00 55.95 58.04 1r2u s SER 37 Cb -0.04 -2.24 0.39 0.00 -1.71 0.00 0.00 66.02 62.42 1r2u s SER 37 CO 0.34 0.28 1.87 0.71 1.20 0.00 0.00 173.24 177.64 1r2u h THR 38 N 3.90 1.05 0.00 6.45 1.35 -1.85 0.47 112.91 124.28 1r2u h THR 38 Ca -0.50 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1r2u h THR 38 Cb 1.21 -0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1r2u h THR 38 CO 0.64 0.20 -0.14 0.07 -0.25 0.00 0.00 175.52 176.03 1r2u h LYS 39 N 1.09 0.00 0.00 4.72 2.10 -1.94 -2.04 116.57 120.50 1r2u h LYS 39 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1r2u h LYS 39 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1r2u h LYS 39 CO -0.18 0.14 0.00 0.39 -2.00 0.00 0.00 179.45 177.80 1r2u n GLU 40 N -3.48 0.66 -0.25 0.07 4.71 0.14 -3.83 120.64 118.67 1r2u n GLU 40 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.13 1r2u n GLU 40 Cb 0.30 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.34 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 0.00 0.59 -2.46 -4.62 5.85 -1.24 0.66 115.31 114.10 1r2u h LEU 41 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1r2u h LEU 41 Cb 0.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1r2u h LEU 41 CO 0.00 0.38 -0.00 1.23 -0.34 0.00 0.00 178.44 179.71 1r2u h GLY 42 N 0.73 0.00 1.12 3.75 0.00 -1.80 -2.39 103.07 104.48 1r2u h GLY 42 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.33 1r2u h GLY 42 CO -0.19 0.00 -1.62 1.70 0.00 0.00 0.00 176.54 176.44 1r2u h LYS 43 N 0.00 0.26 -0.06 4.80 1.63 -1.15 -3.33 116.57 118.72 1r2u h LYS 43 Ca -0.00 -0.44 -0.13 0.00 -0.85 0.00 0.00 60.65 59.23 1r2u h LYS 43 Cb 0.18 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1r2u h LYS 43 CO 0.00 1.12 -0.54 -0.39 -3.45 0.00 0.00 179.45 176.19 1r2u h VAL 44 N 0.07 1.37 -0.37 2.00 -1.51 -0.83 -2.88 116.25 114.11 1r2u h VAL 44 Ca -0.28 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.34 1r2u h VAL 44 Cb 2.03 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 33.11 1r2u h VAL 44 CO 0.15 0.54 0.16 0.24 -1.23 0.00 0.00 177.57 177.43 1r2u h MET 45 N 0.12 0.51 -0.49 5.19 2.86 -1.58 0.17 114.93 121.72 1r2u h MET 45 Ca -0.00 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1r2u h MET 45 Cb 0.99 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1r2u h MET 45 CO 0.08 0.41 -0.05 0.00 1.06 0.00 0.00 176.91 178.41 1r2u h ARG 46 N 0.51 0.86 0.09 1.72 3.08 -1.61 0.25 114.38 119.27 1r2u h ARG 46 Ca 0.13 -0.27 -0.28 0.00 0.07 0.00 0.00 59.98 59.63 1r2u h ARG 46 Cb 0.08 -0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1r2u h ARG 46 CO -0.02 0.89 -1.17 0.52 -1.07 0.00 0.00 179.97 179.12 1r2u h MET 47 N 0.78 0.52 -0.72 0.04 2.86 -1.33 -3.29 114.93 113.80 1r2u h MET 47 Ca 0.14 -0.68 -0.04 0.00 -2.06 0.00 0.00 59.70 57.05 1r2u h MET 47 Cb 0.55 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1r2u h MET 47 CO 0.03 1.29 0.28 1.25 1.06 0.00 0.00 176.91 180.82 1r2u h LEU 48 N 0.24 1.00 0.00 1.22 7.12 -0.57 -3.47 115.31 120.84 1r2u h LEU 48 Ca -0.15 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1r2u h LEU 48 Cb 1.84 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 1r2u h LEU 48 CO 0.22 0.90 0.00 0.61 -0.13 0.00 0.00 178.44 180.04 1r2u n GLY 49 N -0.84 0.57 3.44 3.75 0.00 -0.42 -5.09 105.19 106.59 1r2u n GLY 49 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 1.30 -0.41 1.61 -0.21 0.73 -5.02 119.66 117.67 1r2u s GLN 50 Ca 0.00 -1.12 0.06 0.00 0.02 0.00 0.00 55.36 54.32 1r2u s GLN 50 Cb 0.00 0.43 0.21 0.00 1.00 0.00 0.00 33.01 34.65 1r2u s GLN 50 CO 0.00 -0.51 0.44 -1.71 -2.12 0.00 0.00 175.29 171.39 1r2u n ASN 51 N -0.28 -0.35 -2.07 5.90 2.85 -1.26 -3.85 115.26 116.19 1r2u n ASN 51 Ca -0.07 -2.54 0.00 0.00 -0.11 0.00 0.00 54.58 51.86 1r2u n ASN 51 Cb 0.63 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 41.17 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 2.21 0.27 -4.40 1.20 -0.04 -1.26 -5.12 135.00 127.85 1r2u n PRO 52 Ca 0.25 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 1r2u n PRO 52 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.61 1.87 0.23 0.52 -4.23 -1.26 -5.01 115.64 107.14 1r2u s THR 53 Ca 0.00 -1.84 0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1r2u s THR 53 Cb 0.00 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1r2u s THR 53 CO 0.00 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.28 1r2u h PRO 54 N 1.44 0.00 0.13 3.99 0.13 -2.00 -2.40 132.00 133.29 1r2u h PRO 54 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.42 1r2u h PRO 54 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r2u h PRO 54 CO 0.73 0.54 -1.35 0.93 -0.23 0.00 0.00 178.00 178.61 1r2u h GLU 55 N 0.00 0.27 0.84 0.86 5.08 -1.98 -2.86 114.58 116.78 1r2u h GLU 55 Ca -0.01 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1r2u h GLU 55 Cb 1.04 0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1r2u h GLU 55 CO 0.07 1.18 -0.40 0.93 -1.00 0.00 0.00 179.01 179.79 1r2u h GLU 56 N 0.07 -1.09 -0.12 2.33 4.39 -1.94 -2.36 114.58 115.87 1r2u h GLU 56 Ca -0.18 0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1r2u h GLU 56 Cb 1.99 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 30.89 1r2u h GLU 56 CO 0.19 -0.72 0.09 1.37 -1.16 0.00 0.00 179.01 178.78 1r2u h LEU 57 N -1.26 0.00 -0.28 1.33 8.10 -1.58 -1.92 115.31 119.70 1r2u h LEU 57 Ca -0.12 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.88 1r2u h LEU 57 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 1r2u h LEU 57 CO 0.19 0.00 0.17 -0.61 -4.11 0.00 0.00 178.44 174.08 1r2u h GLN 58 N 0.00 0.33 -0.42 0.17 -0.00 -1.25 -1.29 115.11 112.65 1r2u h GLN 58 Ca 0.06 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.64 1r2u h GLN 58 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 1r2u h GLN 58 CO -0.00 0.22 0.09 0.93 0.00 0.00 0.00 178.83 180.07 1r2u h GLU 59 N 0.34 0.63 -0.41 1.69 5.08 -0.83 -2.65 114.58 118.43 1r2u h GLU 59 Ca 0.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1r2u h GLU 59 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1r2u h GLU 59 CO -0.04 0.59 0.18 0.52 -1.00 0.00 0.00 179.01 179.25 1r2u h MET 60 N 0.61 0.60 0.07 2.33 2.86 -1.09 -1.87 114.93 118.45 1r2u h MET 60 Ca 0.14 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1r2u h MET 60 Cb 0.25 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1r2u h MET 60 CO -0.00 0.55 -0.08 0.82 1.06 0.00 0.00 176.91 179.26 1r2u h ILE 61 N 0.52 0.00 -0.87 -1.22 2.04 -0.90 0.31 117.51 117.39 1r2u h ILE 61 Ca 0.14 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.19 1r2u h ILE 61 Cb 0.16 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.18 1r2u h ILE 61 CO -0.01 0.00 0.58 -0.78 0.00 0.00 0.00 178.15 177.93 1r2u h ASP 62 N -0.15 0.42 -0.10 1.72 1.82 -1.58 0.36 116.42 118.92 1r2u h ASP 62 Ca -0.01 0.04 -0.20 0.00 -0.39 0.00 0.00 57.03 56.47 1r2u h ASP 62 Cb 0.13 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.11 1r2u h ASP 62 CO -0.02 0.18 -0.73 -0.33 -1.61 0.00 0.00 179.24 176.74 1r2u h GLU 63 N 0.43 0.66 0.00 0.28 4.39 -1.07 -3.31 114.58 115.97 1r2u h GLU 63 Ca 0.45 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1r2u h GLU 63 Cb 1.07 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1r2u h GLU 63 CO -0.17 1.19 -0.63 -0.39 -1.16 0.00 0.00 179.01 177.86 1r2u h VAL 64 N 0.32 0.00 -0.63 3.13 -1.51 0.37 -3.43 116.25 114.50 1r2u h VAL 64 Ca -0.06 -0.78 -0.32 0.00 -1.23 0.00 0.00 66.70 64.31 1r2u h VAL 64 Cb 1.37 1.43 -0.05 0.00 -2.13 0.00 0.00 31.29 31.91 1r2u h VAL 64 CO 0.15 0.00 0.90 -0.62 -1.23 0.00 0.00 177.57 176.77 1r2u s ASP 65 N -5.04 5.14 0.29 4.19 -1.08 0.12 -4.56 116.67 115.74 1r2u s ASP 65 Ca 0.04 -1.11 0.05 0.00 -0.52 0.00 0.00 52.55 51.01 1r2u s ASP 65 Cb 0.10 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.44 1r2u s ASP 65 CO 0.73 -2.84 1.72 -0.33 0.52 0.00 0.00 175.17 174.97 1r2u h GLU 66 N 10.59 0.35 0.16 4.34 4.39 -1.88 -3.19 114.58 129.33 1r2u h GLU 66 Ca 0.15 -0.15 -0.26 0.00 0.34 0.00 0.00 59.36 59.45 1r2u h GLU 66 Cb 0.98 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1r2u h GLU 66 CO 1.22 0.65 -1.21 -0.44 -1.16 0.00 0.00 179.01 178.07 1r2u h ASP 67 N 0.30 0.54 -1.09 1.42 3.32 -1.94 -3.48 116.42 115.48 1r2u h ASP 67 Ca 0.04 -0.92 -0.04 0.00 0.02 0.00 0.00 57.03 56.13 1r2u h ASP 67 Cb 0.74 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1r2u h ASP 67 CO 0.06 1.56 -0.06 0.61 -1.72 0.00 0.00 179.24 179.69 1r2u n GLY 68 N 1.72 0.64 0.11 2.75 0.00 -1.21 -4.99 105.19 104.20 1r2u n GLY 68 Ca -0.19 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 1.23 1.88 0.00 1.61 3.41 -1.26 -5.03 113.62 115.46 1r2u n SER 69 Ca -0.01 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1r2u n SER 69 Cb 0.51 -0.90 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 1.42 0.70 3.89 5.00 0.00 -1.26 -5.14 105.19 109.79 1r2u n GLY 70 Ca -0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 4.95 -0.29 2.61 -4.23 -1.26 -2.84 115.64 114.58 1r2u s THR 71 Ca 0.00 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1r2u s THR 71 Cb 0.00 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 1r2u s THR 71 CO 0.00 -0.15 0.08 -0.69 -0.54 0.00 0.00 174.62 173.32 1r2u s VAL 72 N -1.81 4.11 0.83 2.29 1.01 0.17 -4.84 120.40 122.16 1r2u s VAL 72 Ca 0.33 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1r2u s VAL 72 Cb -0.10 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.36 1r2u s VAL 72 CO 0.26 0.14 1.16 -1.81 0.00 0.00 0.00 175.10 174.85 1r2u s ASP 73 N 1.54 3.86 0.30 3.32 1.01 -1.26 -0.67 116.67 124.76 1r2u s ASP 73 Ca 0.04 0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.41 1r2u s ASP 73 Cb -0.17 -0.39 0.46 0.00 1.01 0.00 0.00 42.92 43.83 1r2u s ASP 73 CO 0.03 -2.22 1.85 0.15 0.21 0.00 0.00 175.17 175.19 1r2u h PHE 74 N -1.08 0.80 -0.62 4.23 3.04 -1.98 0.51 116.94 121.85 1r2u h PHE 74 Ca -0.42 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.41 1r2u h PHE 74 Cb 1.26 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.51 1r2u h PHE 74 CO -0.53 0.67 0.16 -0.44 -2.02 0.00 0.00 178.31 176.15 1r2u h ASP 75 N 0.76 0.89 1.93 0.41 5.19 -1.97 0.35 116.42 123.99 1r2u h ASP 75 Ca 0.17 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1r2u h ASP 75 Cb 0.25 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1r2u h ASP 75 CO -0.01 0.86 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.58 1r2u h GLU 76 N 0.92 0.00 0.12 3.56 5.08 -1.61 -2.91 114.58 119.74 1r2u h GLU 76 Ca 0.20 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 76 Cb 0.31 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.58 1r2u h GLU 76 CO -0.00 0.00 -1.25 0.35 -1.00 0.00 0.00 179.01 177.11 1r2u h PHE 77 N 0.00 0.94 0.03 4.33 3.57 0.87 -3.30 116.94 123.38 1r2u h PHE 77 Ca 0.00 -0.60 -0.23 0.00 3.53 0.00 0.00 57.97 60.67 1r2u h PHE 77 Cb 1.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1r2u h PHE 77 CO 0.00 1.44 -1.00 -0.07 -2.23 0.00 0.00 178.31 176.46 1r2u h LEU 78 N 0.25 0.48 -2.36 0.59 3.38 -1.01 -3.21 115.31 113.42 1r2u h LEU 78 Ca -0.18 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1r2u h LEU 78 Cb 1.92 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1r2u h LEU 78 CO 0.23 1.23 -0.03 -0.37 0.09 0.00 0.00 178.44 179.59 1r2u h VAL 79 N 0.18 0.51 -1.12 1.22 -1.51 -1.63 -2.49 116.25 111.41 1r2u h VAL 79 Ca -0.09 -0.14 0.32 0.00 -1.23 0.00 0.00 66.70 65.57 1r2u h VAL 79 Cb 1.65 1.09 -0.04 0.00 -2.13 0.00 0.00 31.29 31.85 1r2u h VAL 79 CO 0.17 0.03 0.82 0.24 -1.23 0.00 0.00 177.57 177.60 1r2u h MET 80 N 0.00 0.00 0.18 5.19 2.86 -1.63 0.73 114.93 122.27 1r2u h MET 80 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1r2u h MET 80 Cb 0.09 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 80 CO 0.00 0.00 -1.09 0.52 1.06 0.00 0.00 176.91 177.41 1r2u h MET 81 N 0.00 0.38 0.00 1.72 2.86 -1.68 -3.35 114.93 114.86 1r2u h MET 81 Ca 0.53 -0.65 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1r2u h MET 81 Cb 2.17 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 34.06 1r2u h MET 81 CO -0.01 1.31 -0.37 -0.39 1.06 0.00 0.00 176.91 178.51 1r2u h VAL 82 N -0.19 0.23 0.00 -2.22 -1.51 -1.12 -3.28 116.25 108.16 1r2u h VAL 82 Ca -0.19 -1.34 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 1r2u h VAL 82 Cb 1.84 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 33.01 1r2u h VAL 82 CO 0.19 0.13 -0.02 0.08 -1.23 0.00 0.00 177.57 176.72 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 0.11 0.24 -1.11 114.38 118.81 1r2u h ARG 83 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1r2u h ARG 83 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1r2u h ARG 83 CO 0.02 0.02 -0.10 0.00 0.10 0.00 0.00 179.97 180.02 1r2u h MET 85 N 0.00 0.07 -0.11 0.00 2.86 -1.44 -2.68 114.93 113.64 1r2u h MET 85 Ca -0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 85 Cb 0.18 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1r2u h MET 85 CO 0.01 0.42 0.11 0.87 1.06 0.00 0.00 176.91 179.39 1r2u h LYS 86 N 0.07 0.00 -5.44 1.72 1.57 -1.42 -3.35 116.57 109.72 1r2u h LYS 86 Ca 0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1r2u h LYS 86 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1r2u h LYS 86 CO 0.05 0.00 1.33 -0.25 -0.57 0.00 0.00 179.45 180.01 1r2u n ASP 87 N -3.93 3.31 -4.55 0.86 9.92 -1.01 -4.90 116.55 116.25 1r2u n ASP 87 Ca -0.00 -2.73 -0.43 0.00 -0.53 0.00 0.00 54.79 51.10 1r2u n ASP 87 Cb 0.22 -1.70 -0.03 0.00 -0.64 0.00 0.00 41.12 38.96 1r2u n ASP 87 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1r2u s ASP 88 N 6.03 6.40 0.00 -2.24 1.01 -1.26 -5.11 116.67 121.51 1r2u s ASP 88 Ca 0.65 -0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.87 1r2u s ASP 88 Cb 0.01 -2.48 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1r2u s ASP 88 CO 0.13 -1.30 0.72 -0.24 0.21 0.00 0.00 175.17 174.69