#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 -0.38 -0.07 7.83 -0.87 -1.26 -5.03 114.94 115.17 1r2u s ASN 2 Ca 0.00 0.89 0.10 0.00 -1.57 0.00 0.00 52.86 52.28 1r2u s ASN 2 Cb 0.00 0.92 0.15 0.00 -0.02 0.00 0.00 41.25 42.30 1r2u s ASN 2 CO 0.00 -0.21 1.08 0.47 -2.57 0.00 0.00 177.10 175.87 1r2u n ASP 3 N 4.65 2.18 0.09 -1.22 8.00 -1.26 -4.63 116.55 124.36 1r2u n ASP 3 Ca -0.18 -2.57 -0.00 0.00 0.71 0.00 0.00 54.79 52.74 1r2u n ASP 3 Cb 0.53 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.01 0.90 -0.16 0.53 -0.00 -1.95 -3.03 117.51 113.81 1r2u h ILE 4 Ca 0.00 -2.38 -0.09 0.00 -0.00 0.00 0.00 64.86 62.39 1r2u h ILE 4 Cb 0.76 2.39 -0.01 0.00 -0.00 0.00 0.00 36.82 39.96 1r2u h ILE 4 CO 0.00 0.52 -0.27 1.88 -0.00 0.00 0.00 178.15 180.27 1r2u h TYR 5 N 0.00 0.34 0.15 0.16 0.05 -1.85 0.57 116.97 116.39 1r2u h TYR 5 Ca -0.06 -0.07 -0.29 0.00 0.05 0.00 0.00 58.73 58.36 1r2u h TYR 5 Cb 1.53 -0.09 0.02 0.00 1.01 0.00 0.00 36.73 39.21 1r2u h TYR 5 CO 0.00 0.56 -1.27 0.87 -1.05 0.00 0.00 178.16 177.27 1r2u h LYS 6 N 0.27 0.41 0.00 4.88 1.79 -1.88 -0.79 116.57 121.25 1r2u h LYS 6 Ca 0.04 -0.63 -0.10 0.00 -2.18 0.00 0.00 60.65 57.77 1r2u h LYS 6 Cb 0.63 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1r2u h LYS 6 CO 0.05 1.29 -0.49 0.00 -1.08 0.00 0.00 179.45 179.21 1r2u h ALA 7 N 0.45 0.77 0.11 3.86 0.00 -1.37 -3.25 119.26 119.82 1r2u h ALA 7 Ca -0.17 -0.44 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 1r2u h ALA 7 Cb 1.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1r2u h ALA 7 CO 0.22 0.61 -1.72 0.00 0.00 0.00 0.00 179.25 178.37 1r2u h ALA 8 N 1.51 0.39 -0.00 0.00 0.00 0.12 -3.33 119.26 117.94 1r2u h ALA 8 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1r2u h ALA 8 Cb 1.22 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1r2u h ALA 8 CO 0.06 1.25 0.00 -0.24 0.00 0.00 0.00 179.25 180.32 1r2u h VAL 9 N 0.06 0.84 0.00 0.00 3.04 -1.20 0.89 116.25 119.87 1r2u h VAL 9 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1r2u h VAL 9 Cb 2.03 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1r2u h VAL 9 CO 0.13 0.00 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.32 1r2u h GLU 10 N 0.00 0.00 0.08 4.17 4.39 -1.68 -3.32 114.58 118.22 1r2u h GLU 10 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1r2u h GLU 10 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1r2u h GLU 10 CO -0.00 0.00 -1.65 1.96 -1.16 0.00 0.00 179.01 178.16 1r2u h GLN 11 N 0.00 0.16 -7.68 2.33 1.08 -0.98 -3.48 115.11 106.55 1r2u h GLN 11 Ca 0.00 -0.27 -0.46 0.00 -1.45 0.00 0.00 58.65 56.47 1r2u h GLN 11 Cb 0.77 0.10 0.13 0.00 -0.05 0.00 0.00 27.48 28.43 1r2u h GLN 11 CO 0.00 1.13 0.39 -0.48 -0.95 0.00 0.00 178.83 178.92 1r2u s LEU 12 N -7.43 2.66 0.38 1.46 0.05 -0.59 -5.10 118.68 110.10 1r2u s LEU 12 Ca -0.25 0.44 0.08 0.00 0.05 0.00 0.00 54.13 54.45 1r2u s LEU 12 Cb 0.06 -2.70 -0.07 0.00 -2.05 0.00 0.00 46.19 41.42 1r2u s LEU 12 CO 0.70 -2.31 -0.03 0.42 -0.55 0.00 0.00 176.35 174.58 1r2u s THR 13 N -3.70 2.07 0.34 5.48 -4.23 -1.26 -4.92 115.64 109.42 1r2u s THR 13 Ca 0.68 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1r2u s THR 13 Cb -0.07 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.02 1r2u s THR 13 CO 0.51 -0.09 1.80 -0.78 -0.54 0.00 0.00 174.62 175.52 1r2u h ASP 14 N 1.89 0.23 -0.80 3.99 3.58 -1.99 -2.66 116.42 120.66 1r2u h ASP 14 Ca -0.43 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.00 1r2u h ASP 14 Cb 1.24 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 1r2u h ASP 14 CO 0.76 0.51 0.52 -0.33 -2.88 0.00 0.00 179.24 177.83 1r2u h GLU 15 N 0.20 0.90 -0.11 0.28 5.08 -1.99 -0.57 114.58 118.38 1r2u h GLU 15 Ca 0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1r2u h GLU 15 Cb 0.61 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1r2u h GLU 15 CO 0.04 0.60 0.01 1.96 -1.00 0.00 0.00 179.01 180.62 1r2u h GLN 16 N 0.93 0.05 -0.40 2.33 4.20 -1.89 -0.35 115.11 119.98 1r2u h GLN 16 Ca 0.33 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.99 1r2u h GLN 16 Cb 0.13 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1r2u h GLN 16 CO -0.11 0.03 0.05 0.87 -0.67 0.00 0.00 178.83 179.00 1r2u h LYS 17 N 0.05 0.61 -0.56 1.46 6.56 -1.45 0.82 116.57 124.05 1r2u h LYS 17 Ca 0.05 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1r2u h LYS 17 Cb 0.05 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 1r2u h LYS 17 CO -0.08 0.59 0.36 -0.91 -2.06 0.00 0.00 179.45 177.35 1r2u h ASN 18 N 0.58 0.66 -0.29 0.86 2.35 -0.33 -0.41 115.58 119.00 1r2u h ASN 18 Ca 0.13 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 1r2u h ASN 18 Cb 0.30 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1r2u h ASN 18 CO 0.00 0.49 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.44 1r2u h GLU 19 N 0.76 0.87 -0.89 0.81 4.39 -0.63 -3.07 114.58 116.82 1r2u h GLU 19 Ca 0.20 -0.53 0.07 0.00 0.34 0.00 0.00 59.36 59.45 1r2u h GLU 19 Cb -0.06 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 1r2u h GLU 19 CO -0.04 1.17 0.58 0.74 -1.16 0.00 0.00 179.01 180.29 1r2u h PHE 20 N 0.68 1.01 0.26 4.33 -1.00 -0.38 0.41 116.94 122.25 1r2u h PHE 20 Ca 0.03 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1r2u h PHE 20 Cb 1.11 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1r2u h PHE 20 CO 0.07 0.51 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.93 1r2u h LYS 21 N 0.98 -0.34 -0.73 1.51 1.63 -0.99 0.17 116.57 118.80 1r2u h LYS 21 Ca 0.39 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 60.17 1r2u h LYS 21 Cb 0.26 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1r2u h LYS 21 CO -0.15 -0.12 0.26 0.00 -3.45 0.00 0.00 179.45 175.98 1r2u h ALA 22 N 0.21 0.95 0.00 5.00 0.00 -1.39 0.60 119.26 124.62 1r2u h ALA 22 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1r2u h ALA 22 Cb 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r2u h ALA 22 CO 0.06 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 1r2u h ALA 23 N 1.13 1.66 0.00 0.00 0.00 -0.05 -1.43 119.26 120.57 1r2u h ALA 23 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1r2u h ALA 23 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1r2u h ALA 23 CO -0.01 0.07 -0.28 0.35 0.00 0.00 0.00 179.25 179.38 1r2u h PHE 24 N 0.00 0.00 -0.87 0.00 3.57 -0.15 -3.34 116.94 116.14 1r2u h PHE 24 Ca -0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1r2u h PHE 24 Cb 0.12 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.75 1r2u h PHE 24 CO 0.00 0.54 0.41 -0.44 -2.23 0.00 0.00 178.31 176.59 1r2u h ASP 25 N -1.00 0.41 -0.72 0.41 3.32 -0.77 0.85 116.42 118.92 1r2u h ASP 25 Ca -0.05 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1r2u h ASP 25 Cb 0.60 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1r2u h ASP 25 CO -0.03 0.10 0.47 0.16 -1.72 0.00 0.00 179.24 178.22 1r2u h ILE 26 N 0.50 1.04 0.00 0.35 3.07 -1.43 -1.59 117.51 119.44 1r2u h ILE 26 Ca 0.51 -0.27 -0.19 0.00 1.55 0.00 0.00 64.86 66.46 1r2u h ILE 26 Cb 0.86 0.19 -0.03 0.00 -0.27 0.00 0.00 36.82 37.58 1r2u h ILE 26 CO -0.45 0.14 -1.05 -0.26 -1.05 0.00 0.00 178.15 175.48 1r2u h PHE 27 N 0.77 0.00 -0.59 0.16 -1.00 -1.09 -3.30 116.94 111.89 1r2u h PHE 27 Ca 0.31 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.74 1r2u h PHE 27 Cb 0.22 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 39.60 1r2u h PHE 27 CO -0.00 0.83 0.44 -0.89 -1.61 0.00 0.00 178.31 177.08 1r2u n ILE 28 N -3.21 2.59 0.09 -0.55 2.08 0.08 -4.31 119.36 116.12 1r2u n ILE 28 Ca -0.04 -1.47 -0.06 0.00 0.56 0.00 0.00 62.75 61.74 1r2u n ILE 28 Cb 0.90 -0.95 0.09 0.00 -0.75 0.00 0.00 39.64 38.92 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 1.02 0.19 -0.22 0.38 3.07 -1.58 -3.36 115.11 114.61 1r2u h GLN 29 Ca 0.37 -0.16 -0.20 0.00 0.09 0.00 0.00 58.65 58.75 1r2u h GLN 29 Cb 1.57 0.03 -0.28 0.00 0.08 0.00 0.00 27.48 28.88 1r2u h GLN 29 CO 0.78 0.81 -0.73 -0.40 0.09 0.00 0.00 178.83 179.37 1r2u n ASP 30 N -3.80 0.17 -4.76 0.06 5.68 -1.26 -5.13 116.55 107.52 1r2u n ASP 30 Ca -0.03 -2.11 -0.33 0.00 -0.50 0.00 0.00 54.79 51.83 1r2u n ASP 30 Cb 0.68 0.05 0.07 0.00 -1.14 0.00 0.00 41.12 40.78 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r2u s ALA 31 N -1.88 2.29 -0.07 2.12 0.00 -1.26 -4.99 121.76 117.97 1r2u s ALA 31 Ca 0.19 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.43 1r2u s ALA 31 Cb 0.37 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.90 1r2u s ALA 31 CO -0.08 -1.60 0.95 0.93 0.00 0.00 0.00 175.76 175.96 1r2u h GLU 32 N -0.44 0.14 -0.23 0.00 5.08 -1.96 -3.35 114.58 113.81 1r2u h GLU 32 Ca -0.46 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 57.67 1r2u h GLU 32 Cb 1.25 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1r2u h GLU 32 CO 0.52 0.97 -0.06 -3.47 -1.00 0.00 0.00 179.01 175.96 1r2u n ASP 33 N -4.50 2.95 -2.60 1.42 2.03 -1.26 -4.95 116.55 109.65 1r2u n ASP 33 Ca -0.10 -3.37 -0.19 0.00 0.52 0.00 0.00 54.79 51.65 1r2u n ASP 33 Cb 0.53 -0.56 0.04 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.94 -0.30 3.30 0.27 0.00 -1.26 -5.00 105.19 101.26 1r2u n GLY 34 Ca 0.25 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.52 2.25 0.17 0.00 -5.25 -0.84 -4.69 121.20 109.32 1r2u s ILE 36 Ca 0.39 -1.27 -0.06 0.00 -0.99 0.00 0.00 60.65 58.72 1r2u s ILE 36 Cb 0.03 -2.52 -0.06 0.00 2.95 0.00 0.00 42.46 42.86 1r2u s ILE 36 CO 0.24 0.00 0.42 -0.55 -1.79 0.00 0.00 174.94 173.26 1r2u s SER 37 N -4.33 6.52 0.24 4.36 0.15 -1.26 -0.22 113.70 119.17 1r2u s SER 37 Ca 0.48 0.67 -0.06 0.00 0.70 0.00 0.00 55.95 57.73 1r2u s SER 37 Cb -0.04 -2.12 0.25 0.00 -1.71 0.00 0.00 66.02 62.39 1r2u s SER 37 CO 0.29 0.02 1.92 0.71 1.20 0.00 0.00 173.24 177.37 1r2u h THR 38 N 2.02 1.26 0.00 6.45 1.35 -1.93 -1.45 112.91 120.61 1r2u h THR 38 Ca -0.46 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.86 1r2u h THR 38 Cb 1.17 -0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1r2u h THR 38 CO 0.72 0.25 -0.28 0.11 -0.25 0.00 0.00 175.52 176.07 1r2u h LYS 39 N 1.33 0.00 0.00 4.72 1.57 -1.94 -2.78 116.57 119.46 1r2u h LYS 39 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1r2u h LYS 39 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1r2u h LYS 39 CO -0.07 0.28 0.00 0.39 -0.57 0.00 0.00 179.45 179.47 1r2u n GLU 40 N -3.44 0.64 -0.23 3.15 1.02 -0.56 -3.79 120.64 117.43 1r2u n GLU 40 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 1r2u n GLU 40 Cb 0.46 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r2u h LEU 41 N 0.00 0.73 -2.58 -4.62 7.12 -1.30 -1.20 115.31 113.45 1r2u h LEU 41 Ca 0.00 -0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.00 1r2u h LEU 41 Cb 0.17 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1r2u h LEU 41 CO 0.00 0.53 0.09 1.23 -0.13 0.00 0.00 178.44 180.16 1r2u h GLY 42 N 0.86 0.00 0.34 3.75 0.00 -1.80 -0.88 103.07 105.35 1r2u h GLY 42 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 1r2u h GLY 42 CO -0.05 0.00 -0.54 1.70 0.00 0.00 0.00 176.54 177.65 1r2u h LYS 43 N 0.00 0.15 -0.52 4.80 1.63 -1.47 -3.04 116.57 118.12 1r2u h LYS 43 Ca 0.02 -0.26 -0.09 0.00 -0.85 0.00 0.00 60.65 59.47 1r2u h LYS 43 Cb 0.20 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1r2u h LYS 43 CO -0.00 1.12 -0.05 -0.39 -3.45 0.00 0.00 179.45 176.69 1r2u h VAL 44 N -0.67 1.26 -0.57 2.00 -1.51 -1.04 -2.01 116.25 113.71 1r2u h VAL 44 Ca -0.11 -1.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.15 1r2u h VAL 44 Cb 1.36 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1r2u h VAL 44 CO 0.06 0.40 0.09 0.24 -1.23 0.00 0.00 177.57 177.13 1r2u h MET 45 N 0.84 0.91 -0.33 5.19 2.86 -1.32 -0.61 114.93 122.47 1r2u h MET 45 Ca 0.15 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1r2u h MET 45 Cb 0.56 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1r2u h MET 45 CO 0.03 0.85 -0.19 0.00 1.06 0.00 0.00 176.91 178.66 1r2u h ARG 46 N 0.86 0.63 -0.18 1.72 2.47 -1.37 0.15 114.38 118.66 1r2u h ARG 46 Ca 0.18 -0.23 -0.16 0.00 -1.26 0.00 0.00 59.98 58.51 1r2u h ARG 46 Cb 0.38 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1r2u h ARG 46 CO 0.01 0.78 -0.55 1.98 0.56 0.00 0.00 179.97 182.75 1r2u h MET 47 N 0.56 0.54 0.30 0.04 4.05 -0.91 -3.34 114.93 116.16 1r2u h MET 47 Ca 0.09 -0.34 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1r2u h MET 47 Cb 0.64 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1r2u h MET 47 CO 0.05 0.94 -0.14 -0.07 0.23 0.00 0.00 176.91 177.92 1r2u h LEU 48 N 0.41 -0.34 0.00 3.39 -0.00 -0.87 -3.48 115.31 114.43 1r2u h LEU 48 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1r2u h LEU 48 Cb 1.08 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1r2u h LEU 48 CO 0.10 -0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 1r2u n GLY 49 N 0.50 -1.27 3.30 0.83 0.00 -0.11 -5.10 105.19 103.35 1r2u n GLY 49 Ca -0.05 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 0.86 -0.41 1.61 -0.21 0.35 -5.00 119.66 116.86 1r2u s GLN 50 Ca 0.00 -0.33 0.08 0.00 0.02 0.00 0.00 55.36 55.13 1r2u s GLN 50 Cb 0.00 0.38 0.26 0.00 1.00 0.00 0.00 33.01 34.65 1r2u s GLN 50 CO 0.00 -0.28 0.57 -1.71 -2.12 0.00 0.00 175.29 171.75 1r2u n ASN 51 N 0.68 0.59 -2.07 5.90 2.85 -1.26 -3.23 115.26 118.71 1r2u n ASN 51 Ca -0.19 -2.80 0.00 0.00 -0.11 0.00 0.00 54.58 51.48 1r2u n ASN 51 Cb 0.59 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.97 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 1.22 0.47 -3.82 1.20 -0.04 -1.26 -5.12 135.00 127.65 1r2u n PRO 52 Ca 0.22 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 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 2.51 0.25 0.52 -4.23 -1.26 -4.98 115.64 108.08 1r2u s THR 53 Ca 0.00 -1.50 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1r2u s THR 53 Cb 0.00 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.88 1r2u s THR 53 CO 0.00 -0.00 1.68 1.55 -0.54 0.00 0.00 174.62 177.31 1r2u h PRO 54 N 1.21 0.00 0.04 3.99 0.13 -1.99 -1.83 132.00 133.54 1r2u h PRO 54 Ca -0.42 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.45 1r2u h PRO 54 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1r2u h PRO 54 CO 0.63 0.51 -1.31 1.05 -0.23 0.00 0.00 178.00 178.65 1r2u h GLU 55 N 0.00 0.08 0.30 0.86 4.11 -1.99 -3.05 114.58 114.89 1r2u h GLU 55 Ca -0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1r2u h GLU 55 Cb 0.98 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1r2u h GLU 55 CO 0.07 0.93 -0.14 0.93 0.07 0.00 0.00 179.01 180.86 1r2u h GLU 56 N 0.02 -0.39 -0.65 1.06 4.39 -1.94 -3.04 114.58 114.03 1r2u h GLU 56 Ca -0.14 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1r2u h GLU 56 Cb 1.90 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.60 1r2u h GLU 56 CO 0.13 -0.06 0.43 1.37 -1.16 0.00 0.00 179.01 179.72 1r2u h LEU 57 N -0.93 0.56 -0.65 1.33 8.10 -1.50 -1.89 115.31 120.34 1r2u h LEU 57 Ca -0.04 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.01 1r2u h LEU 57 Cb 0.51 -0.12 -0.06 0.00 -0.44 0.00 0.00 40.66 40.55 1r2u h LEU 57 CO 0.07 0.36 0.35 1.56 -4.11 0.00 0.00 178.44 176.67 1r2u h GLN 58 N 0.64 0.62 -0.77 0.17 1.08 -1.55 -0.03 115.11 115.28 1r2u h GLN 58 Ca 0.28 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1r2u h GLN 58 Cb 0.29 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1r2u h GLN 58 CO -0.09 0.41 0.34 0.93 -0.95 0.00 0.00 178.83 179.47 1r2u h GLU 59 N 0.64 1.14 -0.38 1.46 5.08 -1.23 -2.43 114.58 118.86 1r2u h GLU 59 Ca 0.29 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1r2u h GLU 59 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1r2u h GLU 59 CO -0.19 0.91 0.08 0.52 -1.00 0.00 0.00 179.01 179.33 1r2u h MET 60 N 1.11 0.62 0.03 2.33 2.86 -1.15 -1.82 114.93 118.91 1r2u h MET 60 Ca 0.26 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1r2u h MET 60 Cb 0.17 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1r2u h MET 60 CO -0.03 0.66 -0.03 0.82 1.06 0.00 0.00 176.91 179.39 1r2u h ILE 61 N 0.47 0.00 -1.02 -1.22 2.04 -0.80 -0.39 117.51 116.59 1r2u h ILE 61 Ca 0.12 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.24 1r2u h ILE 61 Cb 0.33 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.33 1r2u h ILE 61 CO 0.00 0.00 0.67 0.44 0.00 0.00 0.00 178.15 179.27 1r2u h ASP 62 N -0.06 0.36 -0.01 1.72 5.19 -1.53 0.42 116.42 122.51 1r2u h ASP 62 Ca -0.00 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1r2u h ASP 62 Cb 0.05 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1r2u h ASP 62 CO -0.00 0.09 0.01 -0.33 -3.12 0.00 0.00 179.24 175.88 1r2u h GLU 63 N 0.33 0.02 0.00 3.56 4.39 -1.01 -2.93 114.58 118.94 1r2u h GLU 63 Ca 0.55 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1r2u h GLU 63 Cb 1.53 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1r2u h GLU 63 CO -0.22 0.19 -0.10 -0.39 -1.16 0.00 0.00 179.01 177.33 1r2u h VAL 64 N -0.16 0.20 -0.71 3.13 -1.51 0.55 -3.41 116.25 114.34 1r2u h VAL 64 Ca 0.00 -1.07 -0.23 0.00 -1.23 0.00 0.00 66.70 64.18 1r2u h VAL 64 Cb 0.18 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 1r2u h VAL 64 CO -0.00 0.10 0.59 -0.62 -1.23 0.00 0.00 177.57 176.41 1r2u s ASP 65 N -6.12 4.78 0.17 4.19 -1.08 0.13 -4.71 116.67 114.04 1r2u s ASP 65 Ca 0.04 -0.37 -0.13 0.00 -0.52 0.00 0.00 52.55 51.57 1r2u s ASP 65 Cb 0.07 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 39.05 1r2u s ASP 65 CO 0.64 -3.05 1.80 -0.33 0.52 0.00 0.00 175.17 174.75 1r2u h GLU 66 N 12.12 0.77 0.15 4.34 5.08 -1.84 -3.11 114.58 132.09 1r2u h GLU 66 Ca 0.04 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 58.02 1r2u h GLU 66 Cb 1.02 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1r2u h GLU 66 CO 1.15 0.57 -1.44 0.38 -1.00 0.00 0.00 179.01 178.67 1r2u h ASP 67 N 0.76 0.49 -3.79 1.42 3.04 -1.96 -3.49 116.42 112.90 1r2u h ASP 67 Ca 0.20 -0.60 -0.12 0.00 -3.24 0.00 0.00 57.03 53.27 1r2u h ASP 67 Cb 0.01 -0.16 0.08 0.00 -1.04 0.00 0.00 39.33 38.21 1r2u h ASP 67 CO -0.04 1.48 -0.34 0.61 -2.04 0.00 0.00 179.24 178.92 1r2u n GLY 68 N 1.64 0.07 0.11 7.15 0.00 -1.18 -5.01 105.19 107.98 1r2u n GLY 68 Ca -0.14 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.06 1.88 0.00 1.61 3.41 -1.26 -5.03 113.62 112.17 1r2u n SER 69 Ca -0.07 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1r2u n SER 69 Cb 0.56 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.41 0.85 3.78 5.00 0.00 -1.26 -5.14 105.19 109.83 1r2u n GLY 70 Ca -0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 4.52 -0.26 2.61 -4.23 -1.26 -3.46 115.64 113.56 1r2u s THR 71 Ca 0.00 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 1r2u s THR 71 Cb 0.00 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1r2u s THR 71 CO 0.00 0.10 0.34 -0.69 -0.54 0.00 0.00 174.62 173.83 1r2u s VAL 72 N -1.43 5.21 0.74 2.29 1.01 0.70 -4.87 120.40 124.05 1r2u s VAL 72 Ca 0.29 0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 1r2u s VAL 72 Cb -0.12 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.67 1r2u s VAL 72 CO 0.22 0.20 1.07 -1.81 0.00 0.00 0.00 175.10 174.78 1r2u s ASP 73 N 1.52 4.62 0.34 3.32 1.11 -1.26 -1.99 116.67 124.33 1r2u s ASP 73 Ca 0.14 0.48 0.05 0.00 0.18 0.00 0.00 52.55 53.40 1r2u s ASP 73 Cb -0.15 -1.05 0.61 0.00 1.07 0.00 0.00 42.92 43.40 1r2u s ASP 73 CO 0.09 -1.75 1.88 0.15 1.18 0.00 0.00 175.17 176.72 1r2u h PHE 74 N -0.76 0.52 -0.45 4.23 3.57 -1.98 0.40 116.94 122.48 1r2u h PHE 74 Ca -0.44 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 60.93 1r2u h PHE 74 Cb 1.31 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1r2u h PHE 74 CO 0.21 0.52 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.36 1r2u h ASP 75 N 0.48 0.72 1.34 0.41 5.19 -1.99 0.82 116.42 123.38 1r2u h ASP 75 Ca 0.10 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.20 1r2u h ASP 75 Cb 0.33 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1r2u h ASP 75 CO 0.01 0.80 -0.67 -0.33 -3.12 0.00 0.00 179.24 175.94 1r2u h GLU 76 N 0.70 0.00 -0.13 3.56 5.08 -1.64 -2.61 114.58 119.53 1r2u h GLU 76 Ca 0.14 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1r2u h GLU 76 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1r2u h GLU 76 CO 0.02 0.62 -0.72 0.35 -1.00 0.00 0.00 179.01 178.28 1r2u h PHE 77 N 0.00 0.97 -0.04 4.33 3.57 0.29 -2.85 116.94 123.21 1r2u h PHE 77 Ca -0.01 -0.44 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1r2u h PHE 77 Cb 1.49 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1r2u h PHE 77 CO 0.00 1.26 -0.10 -0.07 -2.23 0.00 0.00 178.31 177.17 1r2u h LEU 78 N 0.41 0.15 -1.82 0.59 3.38 -0.92 -3.23 115.31 113.86 1r2u h LEU 78 Ca -0.05 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.35 1r2u h LEU 78 Cb 1.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1r2u h LEU 78 CO 0.15 0.73 0.21 -0.37 0.09 0.00 0.00 178.44 179.25 1r2u h VAL 79 N -0.42 0.96 -1.12 1.22 -1.51 -1.57 -2.54 116.25 111.27 1r2u h VAL 79 Ca -0.00 -0.08 0.36 0.00 -1.23 0.00 0.00 66.70 65.75 1r2u h VAL 79 Cb 0.72 0.72 -0.14 0.00 -2.13 0.00 0.00 31.29 30.46 1r2u h VAL 79 CO 0.02 0.04 0.68 0.24 -1.23 0.00 0.00 177.57 177.32 1r2u h MET 80 N 0.23 0.22 0.36 5.19 2.86 -1.52 1.00 114.93 123.28 1r2u h MET 80 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1r2u h MET 80 Cb 0.25 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1r2u h MET 80 CO -0.02 0.15 -0.17 0.52 1.06 0.00 0.00 176.91 178.44 1r2u h MET 81 N 0.23 -0.47 -0.12 1.72 2.07 -1.64 -3.29 114.93 113.43 1r2u h MET 81 Ca 0.75 0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 58.39 1r2u h MET 81 Cb 2.00 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 31.83 1r2u h MET 81 CO -0.51 -0.22 -0.02 -0.39 1.07 0.00 0.00 176.91 176.85 1r2u h VAL 82 N -1.06 1.09 -0.21 -2.22 -1.51 -1.36 -2.12 116.25 108.86 1r2u h VAL 82 Ca -0.05 -0.36 0.06 0.00 -1.23 0.00 0.00 66.70 65.12 1r2u h VAL 82 Cb 0.46 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1r2u h VAL 82 CO 0.08 0.12 0.28 0.03 -1.23 0.00 0.00 177.57 176.85 1r2u h ARG 83 N 0.17 0.00 -0.07 5.19 2.47 0.93 0.47 114.38 123.53 1r2u h ARG 83 Ca 0.04 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1r2u h ARG 83 Cb 0.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1r2u h ARG 83 CO 0.00 0.00 0.07 0.00 0.56 0.00 0.00 179.97 180.61 1r2u h MET 85 N 0.00 0.43 -5.99 0.00 2.86 -1.10 -3.42 114.93 107.71 1r2u h MET 85 Ca 0.04 -0.12 -0.64 0.00 -2.06 0.00 0.00 59.70 56.92 1r2u h MET 85 Cb 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1r2u h MET 85 CO -0.00 0.56 1.45 1.17 1.06 0.00 0.00 176.91 181.15 1r2u n LYS 86 N -4.22 1.44 -2.86 1.72 4.81 -0.28 -4.89 118.16 113.89 1r2u n LYS 86 Ca 0.00 0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 57.41 1r2u n LYS 86 Cb 0.31 -2.78 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 1r2u n LYS 86 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r2u s ASP 87 N 7.73 6.29 -1.08 3.14 2.15 -1.26 -4.97 116.67 128.66 1r2u s ASP 87 Ca 1.06 -0.55 -0.19 0.00 0.43 0.00 0.00 52.55 53.30 1r2u s ASP 87 Cb -0.64 -2.43 0.10 0.00 -0.30 0.00 0.00 42.92 39.65 1r2u s ASP 87 CO 0.43 -1.27 1.41 -1.81 -0.17 0.00 0.00 175.17 173.76 1r2u s ASP 88 N 3.06 6.71 0.00 -0.34 1.11 -1.26 -5.27 116.67 120.68 1r2u s ASP 88 Ca 0.27 -2.11 0.00 0.00 0.18 0.00 0.00 52.55 50.89 1r2u s ASP 88 Cb -0.14 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1r2u s ASP 88 CO 0.16 -1.17 0.00 -1.20 1.18 0.00 0.00 175.17 174.15