#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 6.96 0.00 7.83 -0.87 -1.26 -4.99 114.94 122.61 1r2u s ASN 2 Ca 0.00 1.28 0.00 0.00 -1.57 0.00 0.00 52.86 52.57 1r2u s ASN 2 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1r2u s ASN 2 CO 0.00 0.04 0.37 0.47 -2.57 0.00 0.00 177.10 175.42 1r2u n ASP 3 N 0.69 0.74 0.07 -1.22 9.92 -1.26 -4.64 116.55 120.86 1r2u n ASP 3 Ca -0.03 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 1r2u n ASP 3 Cb 0.51 0.25 -0.05 0.00 -0.64 0.00 0.00 41.12 41.20 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 0.00 0.75 -0.05 0.53 -2.65 -1.97 -3.01 117.51 111.11 1r2u h ILE 4 Ca 0.00 -2.23 -0.12 0.00 1.03 0.00 0.00 64.86 63.54 1r2u h ILE 4 Cb 0.00 2.27 -0.01 0.00 -2.05 0.00 0.00 36.82 37.02 1r2u h ILE 4 CO 0.00 0.43 -0.52 1.88 0.03 0.00 0.00 178.15 179.97 1r2u h TYR 5 N 0.00 0.18 -0.01 0.16 0.05 -1.91 -1.33 116.97 114.11 1r2u h TYR 5 Ca -0.09 -0.06 -0.23 0.00 0.05 0.00 0.00 58.73 58.40 1r2u h TYR 5 Cb 1.54 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.25 1r2u h TYR 5 CO 0.00 0.64 -0.93 0.87 -1.05 0.00 0.00 178.16 177.69 1r2u h LYS 6 N 0.12 0.46 -0.12 4.88 1.79 -1.83 -1.57 116.57 120.30 1r2u h LYS 6 Ca 0.00 -0.48 -0.10 0.00 -2.18 0.00 0.00 60.65 57.89 1r2u h LYS 6 Cb 0.96 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1r2u h LYS 6 CO 0.08 1.12 -0.39 0.00 -1.08 0.00 0.00 179.45 179.18 1r2u h ALA 7 N 0.71 1.12 0.00 3.86 0.00 -1.37 -2.89 119.26 120.69 1r2u h ALA 7 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1r2u h ALA 7 Cb 1.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1r2u h ALA 7 CO 0.16 0.58 -0.65 0.00 0.00 0.00 0.00 179.25 179.34 1r2u h ALA 8 N 1.38 0.62 0.00 0.00 0.00 -1.19 -3.26 119.26 116.80 1r2u h ALA 8 Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1r2u h ALA 8 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r2u h ALA 8 CO 0.06 0.75 -0.03 -0.24 0.00 0.00 0.00 179.25 179.79 1r2u h VAL 9 N 0.00 0.22 0.00 0.00 3.04 -1.06 -0.75 116.25 117.70 1r2u h VAL 9 Ca -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1r2u h VAL 9 Cb 1.46 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1r2u h VAL 9 CO 0.07 0.03 -0.32 -0.62 -1.01 0.00 0.00 177.57 175.72 1r2u n GLU 10 N -3.34 0.19 -0.10 4.17 -0.58 -1.23 -3.94 120.64 115.82 1r2u n GLU 10 Ca -0.02 0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 1r2u n GLU 10 Cb 0.15 -1.66 -0.15 0.00 -0.57 0.00 0.00 31.44 29.21 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 -1.96 0.68 -1.37 3.49 1.13 -0.36 -4.99 117.38 114.00 1r2u n GLN 11 Ca 0.05 0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.84 1r2u n GLN 11 Cb 0.40 -1.54 0.23 0.00 0.11 0.00 0.00 30.24 29.44 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 -5.68 1.32 0.34 1.08 0.05 -0.75 -5.09 118.68 109.95 1r2u s LEU 12 Ca -0.13 0.43 0.05 0.00 0.05 0.00 0.00 54.13 54.53 1r2u s LEU 12 Cb 0.07 -2.21 -0.07 0.00 -2.05 0.00 0.00 46.19 41.93 1r2u s LEU 12 CO 0.80 -3.78 0.05 0.42 -0.55 0.00 0.00 176.35 173.29 1r2u s THR 13 N -3.33 1.39 0.33 5.48 -4.23 -1.26 -5.01 115.64 109.01 1r2u s THR 13 Ca 0.73 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1r2u s THR 13 Cb -0.06 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1r2u s THR 13 CO 0.55 -0.00 1.74 -0.78 -0.54 0.00 0.00 174.62 175.59 1r2u h ASP 14 N 2.03 0.05 -0.99 3.99 3.58 -1.98 -2.95 116.42 120.16 1r2u h ASP 14 Ca -0.42 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.04 1r2u h ASP 14 Cb 1.24 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 1r2u h ASP 14 CO 0.72 0.49 0.65 1.05 -2.88 0.00 0.00 179.24 179.27 1r2u h GLU 15 N 0.04 1.25 -0.52 0.28 4.11 -1.98 0.16 114.58 117.91 1r2u h GLU 15 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1r2u h GLU 15 Cb 0.81 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1r2u h GLU 15 CO 0.06 0.82 0.34 -0.56 0.07 0.00 0.00 179.01 179.75 1r2u h GLN 16 N 1.28 0.66 0.01 1.06 -0.00 -1.94 -0.34 115.11 115.84 1r2u h GLN 16 Ca 0.38 -0.04 -0.20 0.00 -0.00 0.00 0.00 58.65 58.79 1r2u h GLN 16 Cb -0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 27.25 1r2u h GLN 16 CO -0.11 0.44 -0.93 0.87 -0.00 0.00 0.00 178.83 179.10 1r2u h LYS 17 N 0.68 0.03 -0.57 0.06 6.56 -1.35 -1.94 116.57 120.04 1r2u h LYS 17 Ca 0.19 -0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.69 1r2u h LYS 17 Cb -0.04 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1r2u h LYS 17 CO -0.04 0.93 0.16 -0.91 -2.06 0.00 0.00 179.45 177.53 1r2u h ASN 18 N 0.01 0.84 -0.25 0.86 2.35 0.31 0.49 115.58 120.20 1r2u h ASN 18 Ca -0.02 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.38 1r2u h ASN 18 Cb 1.62 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.77 1r2u h ASN 18 CO 0.12 0.84 -0.37 -0.33 -1.65 0.00 0.00 177.43 176.04 1r2u h GLU 19 N 0.80 0.69 -0.64 0.81 5.08 -1.13 -1.35 114.58 118.83 1r2u h GLU 19 Ca 0.18 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1r2u h GLU 19 Cb 0.31 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1r2u h GLU 19 CO -0.00 1.03 0.28 0.74 -1.00 0.00 0.00 179.01 180.06 1r2u h PHE 20 N 0.41 0.95 -0.56 4.33 -1.00 -1.14 0.27 116.94 120.20 1r2u h PHE 20 Ca 0.02 -0.06 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1r2u h PHE 20 Cb 0.97 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1r2u h PHE 20 CO 0.08 0.74 0.03 -0.22 -1.61 0.00 0.00 178.31 177.33 1r2u h LYS 21 N 0.89 0.96 -0.30 1.51 1.63 0.01 -0.34 116.57 120.93 1r2u h LYS 21 Ca 0.22 -0.29 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 1r2u h LYS 21 Cb 0.17 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1r2u h LYS 21 CO -0.02 0.95 -0.07 0.00 -3.45 0.00 0.00 179.45 176.86 1r2u h ALA 22 N 0.97 0.41 0.00 5.00 0.00 -0.96 0.39 119.26 125.08 1r2u h ALA 22 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r2u h ALA 22 CO 0.02 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.42 1r2u h ALA 23 N 0.79 1.33 0.00 0.00 0.00 -0.33 -1.54 119.26 119.52 1r2u h ALA 23 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1r2u h ALA 23 CO 0.03 0.10 -0.49 0.35 0.00 0.00 0.00 179.25 179.24 1r2u h PHE 24 N 0.00 0.00 -0.98 0.00 3.57 -0.64 -3.37 116.94 115.52 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 0.24 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.89 1r2u h PHE 24 CO 0.00 0.63 0.62 0.22 -2.23 0.00 0.00 178.31 177.55 1r2u h ASP 25 N -1.00 0.82 -0.89 0.41 3.58 -0.13 0.20 116.42 119.41 1r2u h ASP 25 Ca -0.10 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.53 1r2u h ASP 25 Cb 0.72 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 1r2u h ASP 25 CO -0.06 0.38 0.57 0.16 -2.88 0.00 0.00 179.24 177.41 1r2u h ILE 26 N 0.84 0.92 0.00 2.25 3.07 -1.46 -0.79 117.51 122.35 1r2u h ILE 26 Ca 0.52 -0.28 -0.24 0.00 1.55 0.00 0.00 64.86 66.40 1r2u h ILE 26 Cb 0.70 0.03 -0.04 0.00 -0.27 0.00 0.00 36.82 37.24 1r2u h ILE 26 CO -0.29 0.15 -1.28 -0.26 -1.05 0.00 0.00 178.15 175.42 1r2u h PHE 27 N 0.83 0.00 -0.68 0.16 0.04 -1.32 -3.31 116.94 112.65 1r2u h PHE 27 Ca 0.43 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.79 1r2u h PHE 27 Cb 0.51 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.45 1r2u h PHE 27 CO -0.00 0.99 0.53 -0.89 -0.60 0.00 0.00 178.31 178.34 1r2u n ILE 28 N -3.22 2.82 0.01 -0.55 2.08 -0.09 -4.44 119.36 115.97 1r2u n ILE 28 Ca -0.07 -1.75 -0.02 0.00 0.56 0.00 0.00 62.75 61.47 1r2u n ILE 28 Cb 0.98 -0.97 0.23 0.00 -0.75 0.00 0.00 39.64 39.13 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 1.20 0.50 -0.06 0.38 -0.00 -1.38 -3.37 115.11 112.39 1r2u h GLN 29 Ca 0.42 -0.16 -0.21 0.00 -0.00 0.00 0.00 58.65 58.70 1r2u h GLN 29 Cb 1.54 -0.05 -0.17 0.00 -0.00 0.00 0.00 27.48 28.81 1r2u h GLN 29 CO 0.93 0.65 -0.38 -3.47 -0.00 0.00 0.00 178.83 176.56 1r2u n ASP 30 N -4.17 -1.53 -4.80 0.06 -0.08 -1.26 -5.13 116.55 99.63 1r2u n ASP 30 Ca 0.00 -2.39 -0.34 0.00 -1.51 0.00 0.00 54.79 50.56 1r2u n ASP 30 Cb 0.35 0.81 -0.03 0.00 2.34 0.00 0.00 41.12 44.59 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r2u s ALA 31 N -0.08 2.85 0.13 -1.67 0.00 -1.26 -4.98 121.76 116.76 1r2u s ALA 31 Ca 0.18 0.54 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1r2u s ALA 31 Cb 0.42 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1r2u s ALA 31 CO -0.10 -0.41 1.32 1.05 0.00 0.00 0.00 175.76 177.63 1r2u h GLU 32 N 1.30 0.47 -0.04 0.00 4.11 -1.97 -3.29 114.58 115.16 1r2u h GLU 32 Ca -0.49 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.47 1r2u h GLU 32 Cb 1.22 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1r2u h GLU 32 CO 0.59 1.11 0.00 -0.25 0.07 0.00 0.00 179.01 180.53 1r2u n ASP 33 N -3.79 2.37 -1.40 3.06 8.00 -1.26 -4.98 116.55 118.56 1r2u n ASP 33 Ca -0.07 -1.68 -0.12 0.00 0.71 0.00 0.00 54.79 53.64 1r2u n ASP 33 Cb 0.81 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2u n GLY 34 N 0.90 -0.08 3.32 0.44 0.00 -1.24 -5.01 105.19 103.52 1r2u n GLY 34 Ca 0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.57 2.05 0.10 0.00 -5.25 -0.85 -4.79 121.20 108.90 1r2u s ILE 36 Ca 0.37 -1.35 -0.08 0.00 -0.99 0.00 0.00 60.65 58.60 1r2u s ILE 36 Cb 0.03 -2.40 -0.06 0.00 2.95 0.00 0.00 42.46 42.98 1r2u s ILE 36 CO 0.21 0.00 0.39 -0.55 -1.79 0.00 0.00 174.94 173.20 1r2u s SER 37 N -4.31 6.58 0.25 4.36 0.15 -1.26 0.33 113.70 119.80 1r2u s SER 37 Ca 0.44 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.75 1r2u s SER 37 Cb -0.03 -2.15 0.31 0.00 -1.71 0.00 0.00 66.02 62.45 1r2u s SER 37 CO 0.27 0.13 1.91 0.71 1.20 0.00 0.00 173.24 177.46 1r2u h THR 38 N 2.61 1.18 0.00 6.45 1.35 -1.91 -0.55 112.91 122.03 1r2u h THR 38 Ca -0.48 -0.43 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 1r2u h THR 38 Cb 1.18 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1r2u h THR 38 CO 0.68 0.23 -0.23 0.07 -0.25 0.00 0.00 175.52 176.02 1r2u h LYS 39 N 1.26 0.00 0.00 4.72 2.10 -1.94 -2.52 116.57 120.19 1r2u h LYS 39 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 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 -0.12 0.23 0.00 0.39 -2.00 0.00 0.00 179.45 177.95 1r2u n GLU 40 N -3.48 0.65 -0.35 0.07 -0.58 -0.23 -3.69 120.64 113.02 1r2u n GLU 40 Ca -0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1r2u n GLU 40 Cb 0.40 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.87 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r2u h LEU 41 N 0.00 1.07 -2.23 -4.62 7.12 -1.23 -0.61 115.31 114.81 1r2u h LEU 41 Ca 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1r2u h LEU 41 Cb 0.17 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1r2u h LEU 41 CO 0.00 0.77 0.00 1.23 -0.13 0.00 0.00 178.44 180.31 1r2u h GLY 42 N 1.26 0.00 1.06 3.75 0.00 -1.79 -2.14 103.07 105.21 1r2u h GLY 42 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.33 1r2u h GLY 42 CO -0.07 0.00 -1.65 0.50 0.00 0.00 0.00 176.54 175.32 1r2u h LYS 43 N 0.00 0.42 -0.09 4.80 1.79 -1.35 -3.30 116.57 118.83 1r2u h LYS 43 Ca 0.00 -0.72 -0.12 0.00 -2.18 0.00 0.00 60.65 57.63 1r2u h LYS 43 Cb 0.12 0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1r2u h LYS 43 CO 0.00 1.33 -0.50 -0.39 -1.08 0.00 0.00 179.45 178.81 1r2u h VAL 44 N 0.11 1.35 -0.64 0.50 -1.51 -1.11 -2.86 116.25 112.08 1r2u h VAL 44 Ca -0.31 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 1r2u h VAL 44 Cb 2.11 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 33.08 1r2u h VAL 44 CO 0.21 0.52 0.40 0.24 -1.23 0.00 0.00 177.57 177.71 1r2u h MET 45 N 0.19 0.85 -0.40 5.19 2.86 -1.53 0.38 114.93 122.47 1r2u h MET 45 Ca 0.01 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1r2u h MET 45 Cb 0.95 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1r2u h MET 45 CO 0.08 0.58 -0.13 0.00 1.06 0.00 0.00 176.91 178.50 1r2u h ARG 46 N 0.87 0.72 -0.10 1.72 2.47 -1.45 0.31 114.38 118.93 1r2u h ARG 46 Ca 0.23 -0.24 -0.19 0.00 -1.26 0.00 0.00 59.98 58.52 1r2u h ARG 46 Cb -0.07 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1r2u h ARG 46 CO -0.05 0.82 -0.74 0.52 0.56 0.00 0.00 179.97 181.08 1r2u h MET 47 N 0.65 0.51 0.17 0.04 2.86 -1.22 -3.32 114.93 114.62 1r2u h MET 47 Ca 0.11 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1r2u h MET 47 Cb 0.59 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1r2u h MET 47 CO 0.04 1.05 -0.08 1.25 1.06 0.00 0.00 176.91 180.22 1r2u h LEU 48 N 0.35 -0.19 0.00 1.22 7.12 -0.77 -3.48 115.31 119.56 1r2u h LEU 48 Ca -0.04 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 57.63 1r2u h LEU 48 Cb 1.33 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 1r2u h LEU 48 CO 0.13 0.34 0.00 0.61 -0.13 0.00 0.00 178.44 179.40 1r2u n GLY 49 N 0.50 -0.20 3.38 3.75 0.00 0.20 -5.10 105.19 107.72 1r2u n GLY 49 Ca -0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 1.08 -0.45 1.61 -0.21 0.86 -5.01 119.66 117.54 1r2u s GLN 50 Ca 0.00 -0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.04 1r2u s GLN 50 Cb 0.00 0.49 0.18 0.00 1.00 0.00 0.00 33.01 34.68 1r2u s GLN 50 CO 0.00 -0.42 0.50 -1.71 -2.12 0.00 0.00 175.29 171.54 1r2u n ASN 51 N 0.12 -1.59 -2.20 5.90 2.85 -1.26 -3.14 115.26 115.93 1r2u n ASN 51 Ca -0.17 -2.60 0.00 0.00 -0.11 0.00 0.00 54.58 51.69 1r2u n ASN 51 Cb 0.62 0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.97 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 2.79 0.54 -3.50 1.20 -0.04 -1.26 -5.11 135.00 129.62 1r2u n PRO 52 Ca 0.25 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1r2u n PRO 52 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 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 2.66 0.21 0.52 -4.23 -1.26 -4.95 115.64 108.24 1r2u s THR 53 Ca 0.00 -1.30 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 1r2u s THR 53 Cb 0.00 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.99 1r2u s THR 53 CO 0.00 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.38 1r2u h PRO 54 N 0.97 0.00 0.20 3.99 0.13 -1.99 -0.82 132.00 134.48 1r2u h PRO 54 Ca -0.41 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.37 1r2u h PRO 54 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1r2u h PRO 54 CO 0.56 0.39 -1.66 0.93 -0.23 0.00 0.00 178.00 177.99 1r2u h GLU 55 N 0.00 0.43 0.06 0.86 5.08 -1.99 -3.10 114.58 115.92 1r2u h GLU 55 Ca -0.00 -0.74 -0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1r2u h GLU 55 Cb 0.87 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r2u h GLU 55 CO 0.05 1.35 -0.03 0.93 -1.00 0.00 0.00 179.01 180.31 1r2u h GLU 56 N 0.12 -0.07 -0.15 2.33 4.39 -1.95 -3.06 114.58 116.18 1r2u h GLU 56 Ca -0.31 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.41 1r2u h GLU 56 Cb 2.12 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1r2u h GLU 56 CO 0.21 0.35 0.10 1.25 -1.16 0.00 0.00 179.01 179.76 1r2u h LEU 57 N -0.51 0.12 -0.86 1.33 6.46 -1.32 -1.85 115.31 118.68 1r2u h LEU 57 Ca -0.01 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1r2u h LEU 57 Cb 0.45 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1r2u h LEU 57 CO 0.01 0.09 0.56 -0.61 -0.62 0.00 0.00 178.44 177.87 1r2u h GLN 58 N 0.15 1.08 -0.93 1.25 5.75 -1.45 -1.76 115.11 119.20 1r2u h GLN 58 Ca 0.06 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1r2u h GLN 58 Cb 0.07 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 28.31 1r2u h GLN 58 CO -0.01 0.72 0.59 0.93 -2.65 0.00 0.00 178.83 178.41 1r2u h GLU 59 N 1.12 1.06 -0.74 1.69 5.08 -1.28 -1.45 114.58 120.05 1r2u h GLU 59 Ca 0.33 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1r2u h GLU 59 Cb -0.05 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 1r2u h GLU 59 CO -0.10 0.70 0.23 0.52 -1.00 0.00 0.00 179.01 179.36 1r2u h MET 60 N 1.09 1.15 0.00 2.33 2.86 -1.35 -1.96 114.93 119.05 1r2u h MET 60 Ca 0.40 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1r2u h MET 60 Cb 0.14 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1r2u h MET 60 CO -0.16 0.98 0.00 -0.89 1.06 0.00 0.00 176.91 177.90 1r2u n ILE 61 N -4.25 0.00 -0.23 -1.22 2.08 -0.57 -0.54 119.36 114.63 1r2u n ILE 61 Ca 0.06 1.36 0.20 0.00 0.56 0.00 0.00 62.75 64.94 1r2u n ILE 61 Cb 0.23 -2.24 0.54 0.00 -0.75 0.00 0.00 39.64 37.43 1r2u n ILE 61 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1r2u h ASP 62 N 0.00 0.35 0.03 4.38 3.04 -1.56 0.41 116.42 123.06 1r2u h ASP 62 Ca 0.00 0.04 -0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1r2u h ASP 62 Cb 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 1r2u h ASP 62 CO 0.00 0.14 -0.01 -0.33 -2.04 0.00 0.00 179.24 176.99 1r2u h GLU 63 N 0.35 -0.04 0.00 4.15 5.08 -1.14 -3.18 114.58 119.80 1r2u h GLU 63 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1r2u h GLU 63 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1r2u h GLU 63 CO -0.15 0.23 -0.23 -0.39 -1.00 0.00 0.00 179.01 177.46 1r2u h VAL 64 N -0.31 0.00 -0.54 3.13 -1.51 -0.02 -3.41 116.25 113.59 1r2u h VAL 64 Ca -0.00 -0.68 -0.52 0.00 -1.23 0.00 0.00 66.70 64.27 1r2u h VAL 64 Cb 0.29 1.55 -0.05 0.00 -2.13 0.00 0.00 31.29 30.95 1r2u h VAL 64 CO 0.01 0.00 1.74 -0.67 -1.23 0.00 0.00 177.57 177.42 1r2u n ASP 65 N -2.52 3.79 0.21 4.19 -0.08 0.14 -4.54 116.55 117.73 1r2u n ASP 65 Ca 0.04 -2.79 0.05 0.00 -1.51 0.00 0.00 54.79 50.58 1r2u n ASP 65 Cb 0.47 -1.69 0.45 0.00 2.34 0.00 0.00 41.12 42.69 1r2u n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1r2u h GLU 66 N 8.50 0.00 0.07 -0.67 4.39 -1.83 -3.15 114.58 121.89 1r2u h GLU 66 Ca 0.35 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.92 1r2u h GLU 66 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1r2u h GLU 66 CO 1.42 0.28 -0.59 -0.44 -1.16 0.00 0.00 179.01 178.52 1r2u h ASP 67 N 0.00 0.22 -1.75 1.42 3.32 -1.95 -3.48 116.42 114.20 1r2u h ASP 67 Ca -0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 57.03 56.03 1r2u h ASP 67 Cb 0.53 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.03 1r2u h ASP 67 CO 0.04 1.27 -0.15 0.61 -1.72 0.00 0.00 179.24 179.29 1r2u n GLY 68 N 1.63 0.50 0.10 2.75 0.00 -1.19 -4.98 105.19 104.00 1r2u n GLY 68 Ca -0.15 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 0.62 1.87 0.00 1.61 3.41 -1.26 -5.03 113.62 114.83 1r2u n SER 69 Ca -0.01 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1r2u n SER 69 Cb 0.52 -0.91 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 1.45 1.09 3.83 5.00 0.00 -1.26 -5.14 105.19 110.15 1r2u n GLY 70 Ca -0.29 -0.05 -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 4.83 -0.28 2.61 -4.23 -1.26 -3.40 115.64 113.91 1r2u s THR 71 Ca 0.00 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.69 1r2u s THR 71 Cb 0.00 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1r2u s THR 71 CO 0.00 0.08 0.24 -0.69 -0.54 0.00 0.00 174.62 173.71 1r2u s VAL 72 N -1.50 5.27 0.81 2.29 1.01 0.15 -4.88 120.40 123.55 1r2u s VAL 72 Ca 0.32 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.46 1r2u s VAL 72 Cb -0.12 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1r2u s VAL 72 CO 0.24 0.21 1.13 -1.81 0.00 0.00 0.00 175.10 174.88 1r2u s ASP 73 N 1.73 4.07 0.32 3.32 1.11 -1.26 -2.01 116.67 123.96 1r2u s ASP 73 Ca 0.09 0.21 0.06 0.00 0.18 0.00 0.00 52.55 53.10 1r2u s ASP 73 Cb -0.16 -0.57 0.55 0.00 1.07 0.00 0.00 42.92 43.81 1r2u s ASP 73 CO 0.11 -2.09 1.78 0.15 1.18 0.00 0.00 175.17 176.30 1r2u h PHE 74 N -0.99 0.36 -0.43 4.23 3.57 -1.97 0.33 116.94 122.05 1r2u h PHE 74 Ca -0.43 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.28 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1r2u h PHE 74 CO -0.33 0.56 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.86 1r2u h ASP 75 N 0.29 0.66 1.45 0.41 5.19 -1.98 0.34 116.42 122.78 1r2u h ASP 75 Ca 0.05 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.21 1r2u h ASP 75 Cb 0.60 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1r2u h ASP 75 CO 0.04 0.74 -0.56 -0.33 -3.12 0.00 0.00 179.24 176.01 1r2u h GLU 76 N 0.65 0.00 0.06 3.56 5.08 -1.65 -2.82 114.58 119.46 1r2u h GLU 76 Ca 0.13 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.22 1r2u h GLU 76 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1r2u h GLU 76 CO 0.02 0.39 -1.10 0.35 -1.00 0.00 0.00 179.01 177.66 1r2u h PHE 77 N 0.00 1.00 -0.17 4.33 3.57 0.39 -3.27 116.94 122.79 1r2u h PHE 77 Ca -0.02 -0.58 -0.10 0.00 3.53 0.00 0.00 57.97 60.79 1r2u h PHE 77 Cb 1.34 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1r2u h PHE 77 CO 0.00 1.42 -0.29 -0.07 -2.23 0.00 0.00 178.31 177.14 1r2u h LEU 78 N 0.29 0.54 -1.98 0.59 3.38 -0.43 -3.17 115.31 114.52 1r2u h LEU 78 Ca -0.15 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.42 1r2u h LEU 78 Cb 1.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1r2u h LEU 78 CO 0.21 0.98 0.36 -0.37 0.09 0.00 0.00 178.44 179.71 1r2u h VAL 79 N 0.13 0.76 -1.04 1.22 -1.51 -1.62 -2.02 116.25 112.17 1r2u h VAL 79 Ca 0.01 -0.01 0.27 0.00 -1.23 0.00 0.00 66.70 65.75 1r2u h VAL 79 Cb 0.88 0.74 -0.11 0.00 -2.13 0.00 0.00 31.29 30.67 1r2u h VAL 79 CO 0.07 0.00 0.65 0.24 -1.23 0.00 0.00 177.57 177.30 1r2u h MET 80 N 0.02 0.43 -0.11 5.19 2.86 -1.60 0.53 114.93 122.25 1r2u h MET 80 Ca 0.24 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 80 Cb 0.94 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1r2u h MET 80 CO -0.01 0.28 -0.75 0.00 1.06 0.00 0.00 176.91 177.50 1r2u h MET 81 N 0.44 0.58 0.00 1.72 -0.00 -1.56 -3.26 114.93 112.85 1r2u h MET 81 Ca 0.63 -0.47 -0.15 0.00 -0.00 0.00 0.00 59.70 59.71 1r2u h MET 81 Cb 1.47 0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 33.14 1r2u h MET 81 CO -0.38 1.09 -0.89 -0.39 -0.00 0.00 0.00 176.91 176.34 1r2u h VAL 82 N 0.39 0.98 -0.01 -0.10 -1.51 -1.16 -3.27 116.25 111.57 1r2u h VAL 82 Ca -0.04 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 62.96 1r2u h VAL 82 Cb 1.35 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 32.94 1r2u h VAL 82 CO 0.14 0.56 0.03 0.03 -1.23 0.00 0.00 177.57 177.10 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 2.47 -0.07 -0.70 114.38 121.27 1r2u h ARG 83 Ca -0.06 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 1r2u h ARG 83 Cb 1.56 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.87 1r2u h ARG 83 CO 0.08 0.00 -0.22 0.00 0.56 0.00 0.00 179.97 180.39 1r2u h MET 85 N 0.00 0.00 -1.70 0.00 2.86 -1.35 -3.49 114.93 111.25 1r2u h MET 85 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 85 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1r2u h MET 85 CO 0.03 0.18 -0.42 1.63 1.06 0.00 0.00 176.91 179.39 1r2u n LYS 86 N -4.05 -2.07 -3.39 1.72 4.01 -0.79 -5.04 118.16 108.56 1r2u n LYS 86 Ca -0.02 1.55 -0.13 0.00 -0.51 0.00 0.00 58.31 59.20 1r2u n LYS 86 Cb 0.26 -1.77 -0.09 0.00 -0.51 0.00 0.00 35.03 32.92 1r2u n LYS 86 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1r2u s ASP 87 N -2.84 0.73 -0.66 4.39 -4.77 -1.26 -5.03 116.67 107.24 1r2u s ASP 87 Ca 0.00 -0.06 -0.01 0.00 -3.30 0.00 0.00 52.55 49.18 1r2u s ASP 87 Cb 0.00 0.84 0.43 0.00 -1.09 0.00 0.00 42.92 43.10 1r2u s ASP 87 CO 0.00 -0.32 1.91 -0.90 0.70 0.00 0.00 175.17 176.56 1r2u n ASP 88 N 5.34 7.27 0.00 2.11 5.75 -1.26 -5.19 116.55 130.57 1r2u n ASP 88 Ca -0.04 -3.79 0.12 0.00 -0.01 0.00 0.00 54.79 51.07 1r2u n ASP 88 Cb 0.49 -0.91 0.72 0.00 -1.03 0.00 0.00 41.12 40.39 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85