#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 5.56 0.00 7.83 -0.87 -1.26 -4.95 114.94 121.25 1r2u s ASN 2 Ca 0.00 2.69 0.02 0.00 -1.57 0.00 0.00 52.86 54.00 1r2u s ASN 2 Cb 0.00 -2.63 0.06 0.00 -0.02 0.00 0.00 41.25 38.66 1r2u s ASN 2 CO 0.00 -1.37 1.03 -0.67 -2.57 0.00 0.00 177.10 173.52 1r2u n ASP 3 N -0.77 2.14 0.09 -1.22 2.03 -1.26 -4.61 116.55 112.95 1r2u n ASP 3 Ca 0.09 -1.96 -0.02 0.00 0.52 0.00 0.00 54.79 53.41 1r2u n ASP 3 Cb 0.45 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.39 1.23 -0.14 5.18 -2.65 -1.96 -2.56 117.51 117.01 1r2u h ILE 4 Ca 0.00 -2.78 -0.14 0.00 1.03 0.00 0.00 64.86 62.97 1r2u h ILE 4 Cb 0.53 2.60 -0.01 0.00 -2.05 0.00 0.00 36.82 37.88 1r2u h ILE 4 CO 0.00 0.70 -0.50 1.88 0.03 0.00 0.00 178.15 180.26 1r2u h TYR 5 N 0.00 0.47 0.07 0.16 0.05 -1.87 0.15 116.97 116.00 1r2u h TYR 5 Ca -0.03 -0.15 -0.27 0.00 0.05 0.00 0.00 58.73 58.33 1r2u h TYR 5 Cb 1.60 -0.09 0.02 0.00 1.01 0.00 0.00 36.73 39.26 1r2u h TYR 5 CO 0.00 0.81 -1.14 0.87 -1.05 0.00 0.00 178.16 177.65 1r2u h LYS 6 N 0.30 0.55 0.00 4.88 1.79 -1.85 -0.81 116.57 121.44 1r2u h LYS 6 Ca 0.01 -0.69 -0.13 0.00 -2.18 0.00 0.00 60.65 57.66 1r2u h LYS 6 Cb 0.99 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1r2u h LYS 6 CO 0.09 1.29 -0.60 0.00 -1.08 0.00 0.00 179.45 179.14 1r2u h ALA 7 N 0.45 0.94 0.00 3.86 0.00 -1.38 -3.16 119.26 119.96 1r2u h ALA 7 Ca -0.15 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 1r2u h ALA 7 Cb 1.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1r2u h ALA 7 CO 0.21 0.75 -1.08 0.00 0.00 0.00 0.00 179.25 179.14 1r2u h ALA 8 N 1.40 0.64 -0.04 0.00 0.00 -0.71 -3.32 119.26 117.23 1r2u h ALA 8 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.16 1r2u h ALA 8 Cb 1.11 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r2u h ALA 8 CO 0.08 0.89 0.03 -0.24 0.00 0.00 0.00 179.25 180.01 1r2u h VAL 9 N 0.00 0.83 0.00 0.00 3.04 -1.10 -0.27 116.25 118.75 1r2u h VAL 9 Ca -0.10 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 1r2u h VAL 9 Cb 1.56 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1r2u h VAL 9 CO 0.06 0.00 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.08 1r2u h GLU 10 N 0.00 0.00 0.05 4.17 5.08 -1.66 -2.42 114.58 119.80 1r2u h GLU 10 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1r2u h GLU 10 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1r2u h GLU 10 CO -0.00 0.21 -1.06 1.96 -1.00 0.00 0.00 179.01 179.12 1r2u h GLN 11 N 0.00 0.14 -7.28 2.33 4.20 -1.25 -3.45 115.11 109.79 1r2u h GLN 11 Ca -0.00 -0.22 -0.50 0.00 0.06 0.00 0.00 58.65 57.99 1r2u h GLN 11 Cb 0.45 0.08 0.07 0.00 0.30 0.00 0.00 27.48 28.38 1r2u h GLN 11 CO 0.03 1.07 0.38 -0.51 -0.67 0.00 0.00 178.83 179.13 1r2u s LEU 12 N -7.03 3.31 0.34 1.46 1.43 -0.91 -5.07 118.68 112.21 1r2u s LEU 12 Ca -0.02 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 54.81 1r2u s LEU 12 Cb 0.09 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 1r2u s LEU 12 CO 0.85 -1.19 0.21 0.42 0.23 0.00 0.00 176.35 176.87 1r2u s THR 13 N -2.84 3.22 0.38 5.49 -4.23 -1.26 -4.96 115.64 111.44 1r2u s THR 13 Ca 0.59 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.64 1r2u s THR 13 Cb -0.14 -3.07 0.18 0.00 1.34 0.00 0.00 72.50 70.82 1r2u s THR 13 CO 0.47 -0.17 1.94 0.44 -0.54 0.00 0.00 174.62 176.76 1r2u h ASP 14 N 1.40 0.34 -0.86 3.99 3.32 -1.97 -2.40 116.42 120.23 1r2u h ASP 14 Ca -0.44 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.59 1r2u h ASP 14 Cb 1.25 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 1r2u h ASP 14 CO 0.61 0.41 0.56 -0.33 -1.72 0.00 0.00 179.24 178.77 1r2u h GLU 15 N 0.36 1.06 -0.19 3.56 4.39 -1.98 0.15 114.58 121.93 1r2u h GLU 15 Ca 0.08 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1r2u h GLU 15 Cb 0.26 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1r2u h GLU 15 CO 0.01 0.70 0.07 1.96 -1.16 0.00 0.00 179.01 180.59 1r2u h GLN 16 N 1.09 0.17 -0.33 2.33 4.20 -1.84 -0.52 115.11 120.20 1r2u h GLN 16 Ca 0.34 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 1r2u h GLN 16 Cb -0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1r2u h GLN 16 CO -0.11 0.11 -0.16 0.87 -0.67 0.00 0.00 178.83 178.87 1r2u h LYS 17 N 0.17 0.59 -0.57 1.46 6.56 -1.41 -0.02 116.57 123.36 1r2u h LYS 17 Ca 0.08 -0.20 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 1r2u h LYS 17 Cb 0.04 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 1r2u h LYS 17 CO -0.07 0.73 0.33 -0.91 -2.06 0.00 0.00 179.45 177.47 1r2u h ASN 18 N 0.54 0.69 -0.30 0.86 2.35 -0.15 0.11 115.58 119.67 1r2u h ASN 18 Ca 0.09 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 1r2u h ASN 18 Cb 0.59 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1r2u h ASN 18 CO 0.04 0.57 -0.50 -0.33 -1.65 0.00 0.00 177.43 175.56 1r2u h GLU 19 N 0.76 0.88 -0.74 0.81 4.39 -0.89 -2.80 114.58 116.98 1r2u h GLU 19 Ca 0.20 -0.53 0.02 0.00 0.34 0.00 0.00 59.36 59.39 1r2u h GLU 19 Cb 0.01 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1r2u h GLU 19 CO -0.04 1.17 0.48 0.74 -1.16 0.00 0.00 179.01 180.21 1r2u h PHE 20 N 0.66 0.90 0.08 4.33 -1.00 -0.65 0.44 116.94 121.71 1r2u h PHE 20 Ca 0.02 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1r2u h PHE 20 Cb 1.11 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.36 1r2u h PHE 20 CO 0.07 0.54 -0.04 -0.22 -1.61 0.00 0.00 178.31 177.06 1r2u h LYS 21 N 0.96 -0.10 -0.52 1.51 1.63 -0.76 0.03 116.57 119.32 1r2u h LYS 21 Ca 0.28 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 1r2u h LYS 21 Cb -0.05 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1r2u h LYS 21 CO -0.08 0.03 0.16 0.00 -3.45 0.00 0.00 179.45 176.11 1r2u h ALA 22 N 0.70 0.68 0.00 5.00 0.00 -1.27 0.08 119.26 124.45 1r2u h ALA 22 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1r2u h ALA 22 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r2u h ALA 22 CO 0.02 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 1r2u h ALA 23 N 1.02 1.78 0.00 0.00 0.00 0.03 -1.20 119.26 120.88 1r2u h ALA 23 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1r2u h ALA 23 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r2u h ALA 23 CO -0.01 0.04 -0.09 0.35 0.00 0.00 0.00 179.25 179.54 1r2u h PHE 24 N 0.00 0.00 -0.96 0.00 3.57 -0.38 -3.33 116.94 115.84 1r2u h PHE 24 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.64 1r2u h PHE 24 Cb 0.06 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 1r2u h PHE 24 CO 0.00 0.43 0.57 -0.44 -2.23 0.00 0.00 178.31 176.64 1r2u h ASP 25 N -1.00 0.78 -0.70 0.41 5.19 -0.85 0.56 116.42 120.80 1r2u h ASP 25 Ca -0.02 0.07 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 1r2u h ASP 25 Cb 0.46 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.85 1r2u h ASP 25 CO -0.01 0.36 0.46 0.16 -3.12 0.00 0.00 179.24 177.09 1r2u h ILE 26 N 0.83 1.01 0.00 0.35 3.07 -1.38 -0.92 117.51 120.47 1r2u h ILE 26 Ca 0.51 -0.25 -0.23 0.00 1.55 0.00 0.00 64.86 66.44 1r2u h ILE 26 Cb 0.64 0.23 -0.03 0.00 -0.27 0.00 0.00 36.82 37.39 1r2u h ILE 26 CO -0.32 0.13 -1.19 -0.26 -1.05 0.00 0.00 178.15 175.46 1r2u h PHE 27 N 0.72 0.01 -0.76 0.16 -1.00 -1.22 -3.28 116.94 111.56 1r2u h PHE 27 Ca 0.31 -0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.67 1r2u h PHE 27 Cb 0.28 -0.00 -0.23 0.00 3.61 0.00 0.00 35.95 39.60 1r2u h PHE 27 CO -0.00 1.00 0.52 -0.89 -1.61 0.00 0.00 178.31 177.33 1r2u n ILE 28 N -3.27 2.73 0.15 -0.55 2.08 0.02 -4.41 119.36 116.11 1r2u n ILE 28 Ca -0.04 -1.55 0.01 0.00 0.56 0.00 0.00 62.75 61.73 1r2u n ILE 28 Cb 0.97 -0.67 0.33 0.00 -0.75 0.00 0.00 39.64 39.52 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 0.86 0.10 -0.05 0.38 3.07 -1.29 -3.36 115.11 114.83 1r2u h GLN 29 Ca 0.48 -0.04 -0.19 0.00 0.09 0.00 0.00 58.65 58.99 1r2u h GLN 29 Cb 2.26 -0.01 -0.17 0.00 0.08 0.00 0.00 27.48 29.64 1r2u h GLN 29 CO 0.88 0.44 -0.36 -3.47 0.09 0.00 0.00 178.83 176.41 1r2u n ASP 30 N -4.10 -1.37 -4.78 0.06 2.03 -1.26 -5.13 116.55 102.00 1r2u n ASP 30 Ca -0.02 -2.29 -0.35 0.00 0.52 0.00 0.00 54.79 52.65 1r2u n ASP 30 Cb 0.41 0.70 -0.00 0.00 -0.72 0.00 0.00 41.12 41.50 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 -0.14 2.72 0.19 -1.67 0.00 -1.26 -4.96 121.76 116.65 1r2u s ALA 31 Ca 0.14 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1r2u s ALA 31 Cb 0.43 -3.33 0.12 0.00 0.00 0.00 0.00 23.12 20.33 1r2u s ALA 31 CO -0.11 -0.71 1.62 1.05 0.00 0.00 0.00 175.76 177.61 1r2u h GLU 32 N 1.19 0.92 0.00 0.00 4.11 -1.97 -3.32 114.58 115.51 1r2u h GLU 32 Ca -0.50 -0.35 -0.28 0.00 0.07 0.00 0.00 59.36 58.31 1r2u h GLU 32 Cb 1.25 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1r2u h GLU 32 CO 0.57 1.00 -2.05 -3.47 0.07 0.00 0.00 179.01 175.14 1r2u n ASP 33 N -4.14 1.48 0.00 3.06 2.03 -1.26 -5.02 116.55 112.70 1r2u n ASP 33 Ca 0.01 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1r2u n ASP 33 Cb 0.41 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 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 2.15 1.86 3.34 0.27 0.00 -1.25 -5.12 105.19 106.44 1r2u n GLY 34 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.88 2.36 -0.02 0.00 -5.25 -1.09 -4.84 121.20 109.48 1r2u s ILE 36 Ca 0.30 -1.21 -0.15 0.00 -0.99 0.00 0.00 60.65 58.61 1r2u s ILE 36 Cb -0.01 -2.56 -0.05 0.00 2.95 0.00 0.00 42.46 42.79 1r2u s ILE 36 CO 0.22 0.00 0.40 -0.55 -1.79 0.00 0.00 174.94 173.21 1r2u s SER 37 N -4.36 6.76 0.35 4.36 0.15 -1.26 -0.24 113.70 119.45 1r2u s SER 37 Ca 0.51 0.90 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1r2u s SER 37 Cb -0.05 -2.24 0.65 0.00 -1.71 0.00 0.00 66.02 62.67 1r2u s SER 37 CO 0.31 0.29 2.00 0.71 1.20 0.00 0.00 173.24 177.74 1r2u h THR 38 N 3.87 1.13 0.00 6.45 1.35 -1.88 -0.18 112.91 123.64 1r2u h THR 38 Ca -0.50 -0.29 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1r2u h THR 38 Cb 1.21 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1r2u h THR 38 CO 0.63 0.15 -0.18 0.07 -0.25 0.00 0.00 175.52 175.94 1r2u h LYS 39 N 0.85 0.00 -0.67 4.72 2.10 -1.93 -2.20 116.57 119.43 1r2u h LYS 39 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1r2u h LYS 39 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1r2u h LYS 39 CO -0.06 0.18 0.00 0.39 -2.00 0.00 0.00 179.45 177.96 1r2u n GLU 40 N -3.74 2.97 0.07 0.07 1.02 -0.16 -4.41 120.64 116.45 1r2u n GLU 40 Ca -0.02 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 1r2u n GLU 40 Cb 0.29 -1.61 0.32 0.00 -0.02 0.00 0.00 31.44 30.43 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 3.96 0.33 -1.36 -4.62 5.85 -0.66 -1.68 115.31 117.12 1r2u h LEU 41 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1r2u h LEU 41 Cb 1.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1r2u h LEU 41 CO 0.05 0.50 0.00 1.23 -0.34 0.00 0.00 178.44 179.89 1r2u h GLY 42 N 0.86 0.00 1.16 3.75 0.00 -1.78 -2.89 103.07 104.17 1r2u h GLY 42 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.09 1r2u h GLY 42 CO 0.03 0.00 -1.59 1.70 0.00 0.00 0.00 176.54 176.68 1r2u h LYS 43 N 0.00 0.17 -0.19 4.80 3.64 -1.62 -3.22 116.57 120.15 1r2u h LYS 43 Ca 0.00 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.94 1r2u h LYS 43 Cb 0.54 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1r2u h LYS 43 CO 0.00 0.98 -0.48 -0.39 -2.27 0.00 0.00 179.45 177.29 1r2u h VAL 44 N 0.05 1.32 -0.02 2.00 -1.51 -1.32 -2.91 116.25 113.85 1r2u h VAL 44 Ca -0.26 -1.69 -0.10 0.00 -1.23 0.00 0.00 66.70 63.43 1r2u h VAL 44 Cb 2.00 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.83 1r2u h VAL 44 CO 0.13 0.52 -0.46 0.24 -1.23 0.00 0.00 177.57 176.77 1r2u h MET 45 N 0.40 0.05 -0.66 5.19 2.86 -1.65 -2.99 114.93 118.13 1r2u h MET 45 Ca 0.02 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1r2u h MET 45 Cb 0.98 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 1r2u h MET 45 CO 0.09 0.50 0.34 0.00 1.06 0.00 0.00 176.91 178.89 1r2u h ARG 46 N 0.04 0.58 -0.36 1.72 2.47 -1.25 0.70 114.38 118.28 1r2u h ARG 46 Ca -0.00 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.59 1r2u h ARG 46 Cb 0.83 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 1r2u h ARG 46 CO 0.06 0.39 -0.16 0.52 0.56 0.00 0.00 179.97 181.33 1r2u h MET 47 N 0.60 0.65 -0.58 0.04 2.86 -1.56 -2.92 114.93 114.02 1r2u h MET 47 Ca 0.31 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1r2u h MET 47 Cb 0.28 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 47 CO -0.23 0.79 0.19 1.25 1.06 0.00 0.00 176.91 179.96 1r2u h LEU 48 N 0.59 0.85 0.00 1.22 7.12 -1.07 -3.47 115.31 120.55 1r2u h LEU 48 Ca 0.10 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1r2u h LEU 48 Cb 0.61 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1r2u h LEU 48 CO 0.04 0.82 0.00 0.61 -0.13 0.00 0.00 178.44 179.79 1r2u n GLY 49 N -0.72 1.48 3.85 3.75 0.00 0.10 -5.12 105.19 108.53 1r2u n GLY 49 Ca 0.03 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 4.00 -0.42 1.61 1.11 -0.93 -4.91 119.66 120.11 1r2u s GLN 50 Ca 0.00 0.78 0.05 0.00 0.01 0.00 0.00 55.36 56.21 1r2u s GLN 50 Cb 0.00 -2.31 0.17 0.00 -1.01 0.00 0.00 33.01 29.86 1r2u s GLN 50 CO 0.00 -0.01 0.52 1.21 0.01 0.00 0.00 175.29 177.02 1r2u s ASN 51 N -2.59 -0.13 0.69 5.90 2.47 -1.26 -2.33 114.94 117.69 1r2u s ASN 51 Ca 0.56 -1.60 0.00 0.00 0.42 0.00 0.00 52.86 52.24 1r2u s ASN 51 Cb -0.10 1.12 0.00 0.00 -1.45 0.00 0.00 41.25 40.82 1r2u s ASN 51 CO 0.22 -0.17 0.00 -0.81 -3.72 0.00 0.00 177.10 172.61 1r2u n PRO 52 N 3.81 0.33 -3.02 0.43 -0.04 -1.26 -5.11 135.00 130.13 1r2u n PRO 52 Ca 0.15 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1r2u n PRO 52 Cb 0.51 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.65 2.42 0.19 0.52 -4.23 -1.26 -4.92 115.64 107.71 1r2u s THR 53 Ca 0.00 -1.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.67 1r2u s THR 53 Cb 0.00 -2.42 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1r2u s THR 53 CO 0.00 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.32 1r2u h PRO 54 N 0.32 0.00 0.20 3.99 0.13 -1.99 -1.30 132.00 133.35 1r2u h PRO 54 Ca -0.33 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.46 1r2u h PRO 54 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1r2u h PRO 54 CO 0.42 0.46 -1.64 0.93 -0.23 0.00 0.00 178.00 177.93 1r2u h GLU 55 N 0.00 0.43 0.11 0.86 4.39 -1.99 -2.99 114.58 115.39 1r2u h GLU 55 Ca -0.00 -0.73 -0.01 0.00 0.34 0.00 0.00 59.36 58.96 1r2u h GLU 55 Cb 0.98 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1r2u h GLU 55 CO 0.06 1.34 -0.05 1.49 -1.16 0.00 0.00 179.01 180.69 1r2u h GLU 56 N 0.12 -0.15 -0.28 2.33 4.57 -1.95 -2.95 114.58 116.27 1r2u h GLU 56 Ca -0.31 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1r2u h GLU 56 Cb 2.12 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.73 1r2u h GLU 56 CO 0.21 0.15 0.18 1.25 -1.18 0.00 0.00 179.01 179.62 1r2u h LEU 57 N -0.45 0.32 -0.60 1.64 6.46 -1.39 -2.24 115.31 119.06 1r2u h LEU 57 Ca -0.02 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1r2u h LEU 57 Cb 0.36 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1r2u h LEU 57 CO 0.03 0.24 0.28 -0.61 -0.62 0.00 0.00 178.44 177.75 1r2u h GLN 58 N 0.38 0.50 -0.38 1.25 5.75 -1.36 0.10 115.11 121.35 1r2u h GLN 58 Ca 0.10 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1r2u h GLN 58 Cb -0.03 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1r2u h GLN 58 CO -0.02 0.33 -0.01 0.93 -2.65 0.00 0.00 178.83 177.41 1r2u h GLU 59 N 0.51 0.60 -0.20 1.69 4.39 -1.32 -2.85 114.58 117.40 1r2u h GLU 59 Ca 0.28 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1r2u h GLU 59 Cb 0.26 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1r2u h GLU 59 CO -0.23 0.63 0.04 0.52 -1.16 0.00 0.00 179.01 178.81 1r2u h MET 60 N 0.57 0.32 0.03 2.33 2.86 -0.98 -1.81 114.93 118.24 1r2u h MET 60 Ca 0.12 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1r2u h MET 60 Cb 0.38 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1r2u h MET 60 CO 0.01 0.47 -0.04 0.82 1.06 0.00 0.00 176.91 179.23 1r2u h ILE 61 N 0.12 0.00 -0.95 -1.22 2.04 -0.83 0.86 117.51 117.53 1r2u h ILE 61 Ca 0.06 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.13 1r2u h ILE 61 Cb 0.30 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.30 1r2u h ILE 61 CO 0.00 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 177.99 1r2u h ASP 62 N -0.07 0.53 -0.05 1.72 3.58 -1.60 0.18 116.42 120.70 1r2u h ASP 62 Ca -0.00 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1r2u h ASP 62 Cb 0.07 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1r2u h ASP 62 CO -0.02 0.19 0.00 -0.33 -2.88 0.00 0.00 179.24 176.21 1r2u h GLU 63 N 0.51 0.09 0.00 0.28 4.39 -0.96 -3.20 114.58 115.70 1r2u h GLU 63 Ca 0.52 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 60.10 1r2u h GLU 63 Cb 1.13 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1r2u h GLU 63 CO -0.25 0.37 -0.43 -0.39 -1.16 0.00 0.00 179.01 177.16 1r2u h VAL 64 N -0.20 0.83 -0.66 3.13 -1.51 -0.10 -3.40 116.25 114.34 1r2u h VAL 64 Ca 0.02 -1.87 -0.34 0.00 -1.23 0.00 0.00 66.70 63.27 1r2u h VAL 64 Cb 0.33 2.19 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 1r2u h VAL 64 CO 0.00 0.42 0.96 -0.62 -1.23 0.00 0.00 177.57 177.10 1r2u s ASP 65 N -6.41 5.26 0.19 4.19 -1.08 0.57 -4.58 116.67 114.81 1r2u s ASP 65 Ca 0.02 -1.14 -0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1r2u s ASP 65 Cb 0.09 -2.57 0.12 0.00 -1.46 0.00 0.00 42.92 39.09 1r2u s ASP 65 CO 0.71 -2.72 1.49 -0.33 0.52 0.00 0.00 175.17 174.85 1r2u h GLU 66 N 10.50 0.46 0.13 4.34 5.08 -1.84 -3.30 114.58 129.94 1r2u h GLU 66 Ca 0.16 -0.32 -0.35 0.00 -1.00 0.00 0.00 59.36 57.86 1r2u h GLU 66 Cb 0.98 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1r2u h GLU 66 CO 1.24 0.93 -1.84 0.38 -1.00 0.00 0.00 179.01 178.72 1r2u h ASP 67 N 0.34 0.42 -2.60 1.42 3.04 -1.97 -3.49 116.42 113.58 1r2u h ASP 67 Ca -0.01 -0.79 -0.07 0.00 -3.24 0.00 0.00 57.03 52.92 1r2u h ASP 67 Cb 1.17 -0.14 0.03 0.00 -1.04 0.00 0.00 39.33 39.35 1r2u h ASP 67 CO 0.11 1.69 -0.16 0.61 -2.04 0.00 0.00 179.24 179.46 1r2u n GLY 68 N 1.87 0.36 0.11 7.15 0.00 -1.24 -5.00 105.19 108.42 1r2u n GLY 68 Ca -0.26 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.44 0.02 0.00 1.61 4.64 -1.95 -3.49 113.55 113.94 1r2u h SER 69 Ca -0.12 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1r2u h SER 69 Cb 1.07 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1r2u h SER 69 CO 0.11 1.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.18 1r2u n GLY 70 N 1.46 1.57 3.84 -0.77 0.00 -1.26 -5.13 105.19 104.89 1r2u n GLY 70 Ca -0.32 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 4.83 -0.27 2.61 -4.23 -1.26 -3.08 115.64 114.24 1r2u s THR 71 Ca 0.00 -0.75 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1r2u s THR 71 Cb 0.00 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 1r2u s THR 71 CO 0.00 0.04 0.41 -0.69 -0.54 0.00 0.00 174.62 173.84 1r2u s VAL 72 N -1.56 5.14 0.75 2.29 1.01 0.67 -4.89 120.40 123.81 1r2u s VAL 72 Ca 0.32 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 1r2u s VAL 72 Cb -0.12 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1r2u s VAL 72 CO 0.25 0.12 1.06 -1.81 0.00 0.00 0.00 175.10 174.72 1r2u s ASP 73 N 1.62 4.54 0.38 3.32 1.01 -1.26 -2.66 116.67 123.62 1r2u s ASP 73 Ca 0.16 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.86 1r2u s ASP 73 Cb -0.16 -0.92 0.73 0.00 1.01 0.00 0.00 42.92 43.58 1r2u s ASP 73 CO 0.10 -1.79 2.01 0.15 0.21 0.00 0.00 175.17 175.85 1r2u h PHE 74 N -0.76 0.63 -0.53 4.23 3.57 -1.98 0.41 116.94 122.51 1r2u h PHE 74 Ca -0.44 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1r2u h PHE 74 CO 0.10 0.43 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.03 1r2u h ASP 75 N 0.66 1.03 1.57 0.41 5.19 -1.98 -0.84 116.42 122.46 1r2u h ASP 75 Ca 0.17 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1r2u h ASP 75 Cb -0.01 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 1r2u h ASP 75 CO -0.03 1.16 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.72 1r2u h GLU 76 N 0.90 0.00 0.07 3.56 5.08 -1.60 -2.55 114.58 120.04 1r2u h GLU 76 Ca 0.13 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 76 Cb 0.71 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1r2u h GLU 76 CO 0.05 0.19 -1.01 0.35 -1.00 0.00 0.00 179.01 177.59 1r2u h PHE 77 N 0.00 0.89 0.02 4.33 3.57 0.12 -3.27 116.94 122.59 1r2u h PHE 77 Ca -0.00 -0.53 -0.25 0.00 3.53 0.00 0.00 57.97 60.71 1r2u h PHE 77 Cb 1.03 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.70 1r2u h PHE 77 CO 0.00 1.37 -1.03 -0.07 -2.23 0.00 0.00 178.31 176.36 1r2u h LEU 78 N 0.15 0.73 -2.04 0.59 3.38 -1.20 -3.24 115.31 113.68 1r2u h LEU 78 Ca -0.15 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.29 1r2u h LEU 78 Cb 1.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1r2u h LEU 78 CO 0.20 1.40 0.16 -0.37 0.09 0.00 0.00 178.44 179.91 1r2u h VAL 79 N 0.30 0.83 -1.38 1.22 -1.51 -1.57 -2.46 116.25 111.68 1r2u h VAL 79 Ca -0.11 0.00 0.42 0.00 -1.23 0.00 0.00 66.70 65.78 1r2u h VAL 79 Cb 1.68 0.89 -0.10 0.00 -2.13 0.00 0.00 31.29 31.63 1r2u h VAL 79 CO 0.19 0.00 0.93 0.24 -1.23 0.00 0.00 177.57 177.70 1r2u h MET 80 N 0.00 0.10 0.12 5.19 2.86 -1.61 1.06 114.93 122.66 1r2u h MET 80 Ca 0.10 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1r2u h MET 80 Cb 0.41 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.06 1r2u h MET 80 CO -0.00 0.06 -0.72 0.52 1.06 0.00 0.00 176.91 177.84 1r2u h MET 81 N 0.10 0.27 0.00 1.72 2.86 -1.68 -3.33 114.93 114.87 1r2u h MET 81 Ca 0.77 -0.45 -0.19 0.00 -2.06 0.00 0.00 59.70 57.77 1r2u h MET 81 Cb 2.60 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 34.40 1r2u h MET 81 CO -0.26 1.21 -0.89 -0.39 1.06 0.00 0.00 176.91 177.64 1r2u h VAL 82 N -0.43 1.52 0.00 -2.22 -1.51 -1.04 -3.25 116.25 109.32 1r2u h VAL 82 Ca -0.12 -3.15 -0.00 0.00 -1.23 0.00 0.00 66.70 62.19 1r2u h VAL 82 Cb 1.56 2.75 -0.00 0.00 -2.13 0.00 0.00 31.29 33.48 1r2u h VAL 82 CO 0.14 0.87 -0.01 0.08 -1.23 0.00 0.00 177.57 177.41 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 -0.00 0.90 -2.16 114.38 118.31 1r2u h ARG 83 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1r2u h ARG 83 Cb 1.68 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.65 1r2u h ARG 83 CO 0.12 0.01 -0.05 0.00 -0.00 0.00 0.00 179.97 180.05 1r2u h MET 85 N 0.00 -0.07 -3.10 0.00 2.86 -1.60 -3.48 114.93 109.54 1r2u h MET 85 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 85 Cb 0.38 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.96 1r2u h MET 85 CO 0.01 -0.04 0.16 -1.59 1.06 0.00 0.00 176.91 176.50 1r2u s LYS 86 N -3.18 1.49 0.00 1.72 0.00 -1.24 -5.11 119.74 113.43 1r2u s LYS 86 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.17 1r2u s LYS 86 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 37.83 38.41 1r2u s LYS 86 CO 0.04 -0.66 0.08 -0.25 0.00 0.00 0.00 175.35 174.55 1r2u n ASP 87 N -0.40 0.00 -2.68 0.03 9.92 -1.26 -4.89 116.55 117.28 1r2u n ASP 87 Ca -0.10 0.51 -0.05 0.00 -0.53 0.00 0.00 54.79 54.61 1r2u n ASP 87 Cb 0.62 -0.47 0.06 0.00 -0.64 0.00 0.00 41.12 40.69 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1r2u n ASP 88 N -1.91 -1.53 0.00 -2.24 2.03 -1.26 -5.03 116.55 106.61 1r2u n ASP 88 Ca 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 54.79 53.17 1r2u n ASP 88 Cb 0.00 1.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08