#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl s ASP 2 N 0.00 3.95 -1.47 7.83 2.15 -1.26 -4.58 116.67 123.29 1mxl s ASP 2 Ca 0.00 -0.34 -0.05 0.00 0.43 0.00 0.00 52.55 52.59 1mxl s ASP 2 Cb 0.00 -1.60 0.02 0.00 -0.30 0.00 0.00 42.92 41.04 1mxl s ASP 2 CO 0.00 0.17 0.47 -0.67 -0.17 0.00 0.00 175.17 174.97 1mxl n ASP 3 N 3.52 -5.31 -0.00 -0.34 2.03 -1.26 -4.83 116.55 110.36 1mxl n ASP 3 Ca -0.18 -0.25 0.02 0.00 0.52 0.00 0.00 54.79 54.90 1mxl n ASP 3 Cb 0.53 -4.34 -0.03 0.00 -0.72 0.00 0.00 41.12 36.56 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mxl n ILE 4 N -4.23 0.00 0.01 5.18 3.06 -1.26 -4.69 119.36 117.44 1mxl n ILE 4 Ca -0.10 -0.13 -0.20 0.00 -2.50 0.00 0.00 62.75 59.81 1mxl n ILE 4 Cb 0.61 0.50 -0.14 0.00 0.54 0.00 0.00 39.64 41.14 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1mxl h TYR 5 N 0.00 0.45 -0.31 9.51 -1.99 -1.88 -3.33 116.97 119.42 1mxl h TYR 5 Ca 0.00 -0.33 0.09 0.00 2.00 0.00 0.00 58.73 60.49 1mxl h TYR 5 Cb 0.16 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1mxl h TYR 5 CO 0.00 1.67 0.62 1.57 -0.00 0.00 0.00 178.16 182.02 1mxl h LYS 6 N 0.07 0.00 0.16 4.88 2.10 -1.98 0.44 116.57 122.24 1mxl h LYS 6 Ca -0.39 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.96 1mxl h LYS 6 Cb 2.04 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.39 1mxl h LYS 6 CO 0.10 0.00 -1.31 0.00 -2.00 0.00 0.00 179.45 176.24 1mxl h ALA 7 N 1.05 -0.01 0.00 0.07 0.00 -1.86 -3.22 119.26 115.30 1mxl h ALA 7 Ca 0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1mxl h ALA 7 Cb 1.38 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1mxl h ALA 7 CO -0.00 0.78 -0.07 0.00 0.00 0.00 0.00 179.25 179.96 1mxl h ALA 8 N 0.36 1.09 -0.02 0.00 0.00 -0.28 -3.03 119.26 117.38 1mxl h ALA 8 Ca -0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1mxl h ALA 8 Cb 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1mxl h ALA 8 CO 0.24 0.09 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1mxl h VAL 9 N 0.00 1.46 0.00 0.00 2.07 -1.50 -2.94 116.25 115.35 1mxl h VAL 9 Ca -0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1mxl h VAL 9 Cb 0.40 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1mxl h VAL 9 CO 0.01 0.38 0.00 -0.62 0.02 0.00 0.00 177.57 177.36 1mxl n GLU 10 N -4.73 0.03 -0.06 1.57 4.71 -1.15 -0.99 120.64 120.03 1mxl n GLU 10 Ca -0.08 0.45 0.12 0.00 -0.01 0.00 0.00 57.16 57.63 1mxl n GLU 10 Cb 0.33 -1.58 0.41 0.00 -1.01 0.00 0.00 31.44 29.60 1mxl n GLU 10 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1mxl n GLN 11 N -1.63 1.76 0.00 3.49 6.02 -1.11 -4.85 117.38 121.05 1mxl n GLN 11 Ca 0.01 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1mxl n GLN 11 Cb 0.06 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mxl n LEU 12 N 0.35 0.00 -4.08 1.08 4.77 -0.16 -5.10 117.00 113.87 1mxl n LEU 12 Ca 0.17 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1mxl n LEU 12 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1mxl n LEU 12 CO 0.14 0.00 0.09 0.42 -1.33 0.00 0.00 177.39 176.71 1mxl s THR 13 N 0.00 0.00 0.06 -5.08 -4.23 -1.26 -5.00 115.64 100.14 1mxl s THR 13 Ca 0.00 -1.60 -0.23 0.00 -1.18 0.00 0.00 61.69 58.68 1mxl s THR 13 Cb 0.00 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.24 1mxl s THR 13 CO 0.00 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 175.59 1mxl h GLU 14 N 2.25 0.09 -0.13 3.99 4.57 -1.99 -0.66 114.58 122.69 1mxl h GLU 14 Ca -0.29 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 1mxl h GLU 14 Cb 1.25 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1mxl h GLU 14 CO 0.40 0.23 -0.11 0.93 -1.18 0.00 0.00 179.01 179.28 1mxl h GLU 15 N -0.07 0.31 -0.31 1.92 4.39 -2.00 -3.05 114.58 115.77 1mxl h GLU 15 Ca 0.02 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.62 1mxl h GLU 15 Cb 0.17 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1mxl h GLU 15 CO -0.00 0.69 0.00 0.37 -1.16 0.00 0.00 179.01 178.91 1mxl h GLN 16 N -0.07 0.09 0.01 2.33 4.15 -1.95 -1.77 115.11 117.91 1mxl h GLN 16 Ca 0.02 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1mxl h GLN 16 Cb 0.62 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 1mxl h GLN 16 CO 0.03 0.06 -0.48 0.87 -1.93 0.00 0.00 178.83 177.38 1mxl h LYS 17 N 0.10 -0.62 -0.07 1.69 1.57 -1.12 0.22 116.57 118.34 1mxl h LYS 17 Ca 0.15 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1mxl h LYS 17 Cb 0.20 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1mxl h LYS 17 CO -0.24 -0.41 0.18 -0.91 -0.57 0.00 0.00 179.45 177.50 1mxl h ASN 18 N -0.64 0.00 -0.30 0.86 2.35 -1.38 -1.57 115.58 114.89 1mxl h ASN 18 Ca 0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1mxl h ASN 18 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1mxl h ASN 18 CO -0.33 0.00 -0.04 -0.08 -1.65 0.00 0.00 177.43 175.32 1mxl h GLU 19 N 0.00 0.56 -0.05 0.81 4.81 0.34 -3.18 114.58 117.87 1mxl h GLU 19 Ca 0.03 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1mxl h GLU 19 Cb 0.40 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1mxl h GLU 19 CO -0.00 0.74 -0.02 0.74 -0.73 0.00 0.00 179.01 179.73 1mxl h PHE 20 N 0.34 -0.06 -1.15 0.92 0.04 -1.00 -2.09 116.94 113.94 1mxl h PHE 20 Ca 0.08 0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.25 1mxl h PHE 20 Cb 0.51 0.03 -0.14 0.00 2.20 0.00 0.00 35.95 38.55 1mxl h PHE 20 CO 0.05 -0.04 0.70 0.87 -0.60 0.00 0.00 178.31 179.29 1mxl h LYS 21 N -0.02 0.14 0.21 1.51 6.56 -1.55 -0.77 116.57 122.64 1mxl h LYS 21 Ca 0.03 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1mxl h LYS 21 Cb 0.06 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1mxl h LYS 21 CO -0.06 0.09 -0.29 0.00 -2.06 0.00 0.00 179.45 177.13 1mxl h ALA 22 N 1.75 -0.92 -0.73 3.86 0.00 -1.41 0.40 119.26 122.21 1mxl h ALA 22 Ca 0.79 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.72 1mxl h ALA 22 Cb 2.22 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 20.55 1mxl h ALA 22 CO -0.54 -0.95 0.48 0.00 0.00 0.00 0.00 179.25 178.24 1mxl h ALA 23 N -1.18 1.89 -0.64 0.00 0.00 -1.27 -0.70 119.26 117.35 1mxl h ALA 23 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mxl h ALA 23 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mxl h ALA 23 CO -0.08 -0.05 0.18 0.35 0.00 0.00 0.00 179.25 179.65 1mxl h PHE 24 N 0.59 1.05 -0.74 0.00 3.57 -0.50 0.87 116.94 121.78 1mxl h PHE 24 Ca 0.34 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1mxl h PHE 24 Cb 0.53 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1mxl h PHE 24 CO -0.00 0.86 0.43 -0.44 -2.23 0.00 0.00 178.31 176.93 1mxl h ASP 25 N 0.93 0.66 0.41 0.41 3.32 0.13 -1.97 116.42 120.32 1mxl h ASP 25 Ca 0.20 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 1mxl h ASP 25 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1mxl h ASP 25 CO -0.00 0.43 -0.83 0.40 -1.72 0.00 0.00 179.24 177.52 1mxl h ILE 26 N 0.80 1.43 0.00 0.35 5.03 -1.21 -2.84 117.51 121.06 1mxl h ILE 26 Ca 0.32 -2.38 0.00 0.00 -0.12 0.00 0.00 64.86 62.68 1mxl h ILE 26 Cb 0.17 2.31 0.00 0.00 -3.03 0.00 0.00 36.82 36.27 1mxl h ILE 26 CO -0.17 0.71 0.13 -0.26 -0.68 0.00 0.00 178.15 177.87 1mxl h PHE 27 N 0.19 0.00 0.00 1.37 -1.00 -0.05 -0.78 116.94 116.67 1mxl h PHE 27 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1mxl h PHE 27 Cb 1.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.99 1mxl h PHE 27 CO 0.04 0.00 -0.00 1.33 -1.61 0.00 0.00 178.31 178.07 1mxl n VAL 28 N -2.85 1.02 -1.52 -0.55 0.24 -1.11 -3.57 118.33 109.98 1mxl n VAL 28 Ca -0.02 -1.04 -0.25 0.00 -2.04 0.00 0.00 64.34 60.99 1mxl n VAL 28 Cb 0.19 0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.88 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1mxl n LEU 29 N -0.53 0.03 0.00 1.34 0.00 -0.30 0.15 117.00 117.69 1mxl n LEU 29 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 56.01 55.40 1mxl n LEU 29 Cb 0.27 -0.98 0.00 0.00 0.00 0.00 0.00 43.42 42.71 1mxl n LEU 29 CO 0.00 -1.58 0.00 0.61 0.00 0.00 0.00 177.39 176.42 1mxl n GLY 30 N 6.06 1.12 3.92 -3.96 0.00 -1.26 -4.92 105.19 106.15 1mxl n GLY 30 Ca 0.60 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.34 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ALA 31 N -2.00 2.84 -0.06 4.61 0.00 0.40 -5.04 121.76 122.51 1mxl s ALA 31 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1mxl s ALA 31 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1mxl s ALA 31 CO 0.00 -1.66 -0.07 0.39 0.00 0.00 0.00 175.76 174.42 1mxl n GLU 32 N -3.22 0.14 0.03 0.00 1.02 -1.26 -4.74 120.64 112.61 1mxl n GLU 32 Ca 0.10 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 1mxl n GLU 32 Cb 0.60 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 31.06 1mxl n GLU 32 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1mxl h ASP 33 N -0.15 0.00 0.00 1.62 3.58 -1.99 -3.48 116.42 116.01 1mxl h ASP 33 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1mxl h ASP 33 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1mxl h ASP 33 CO -0.07 0.93 0.00 0.61 -2.88 0.00 0.00 179.24 177.83 1mxl n GLY 34 N 1.43 1.34 3.81 -0.78 0.00 -1.26 -5.14 105.19 104.59 1mxl n GLY 34 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1mxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ILE 36 N -2.78 1.83 0.20 0.00 1.01 -0.75 -4.45 121.20 116.25 1mxl s ILE 36 Ca 0.24 -1.93 -0.20 0.00 0.00 0.00 0.00 60.65 58.76 1mxl s ILE 36 Cb 0.01 -1.85 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1mxl s ILE 36 CO 0.14 -0.32 0.59 -0.55 0.00 0.00 0.00 174.94 174.80 1mxl s SER 37 N -2.68 -0.38 0.60 3.58 0.15 -1.26 -2.24 113.70 111.46 1mxl s SER 37 Ca 0.16 -0.31 0.30 0.00 0.70 0.00 0.00 55.95 56.80 1mxl s SER 37 Cb -0.06 0.62 1.20 0.00 -1.71 0.00 0.00 66.02 66.07 1mxl s SER 37 CO 0.07 -1.07 1.54 0.71 1.20 0.00 0.00 173.24 175.68 1mxl h THR 38 N 2.08 0.13 -0.05 6.45 1.35 -1.90 2.09 112.91 123.07 1mxl h THR 38 Ca -0.29 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.34 1mxl h THR 38 Cb 1.28 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1mxl h THR 38 CO 0.35 0.00 -0.91 0.50 -0.25 0.00 0.00 175.52 175.21 1mxl h LYS 39 N 0.00 0.61 0.03 4.72 3.64 -1.95 -0.11 116.57 123.52 1mxl h LYS 39 Ca 0.44 -0.59 -0.34 0.00 -1.27 0.00 0.00 60.65 58.89 1mxl h LYS 39 Cb 2.41 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 34.33 1mxl h LYS 39 CO -0.00 1.20 -2.04 0.39 -2.27 0.00 0.00 179.45 176.73 1mxl n GLU 40 N -3.84 0.68 0.09 1.90 -0.58 0.46 -3.76 120.64 115.59 1mxl n GLU 40 Ca -0.08 0.20 -0.06 0.00 -0.42 0.00 0.00 57.16 56.81 1mxl n GLU 40 Cb 0.81 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.98 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mxl h LEU 41 N 0.02 -0.27 -1.88 -4.62 7.12 0.26 -3.21 115.31 112.73 1mxl h LEU 41 Ca -0.42 -0.02 0.35 0.00 0.13 0.00 0.00 57.88 57.91 1mxl h LEU 41 Cb 2.05 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 42.19 1mxl h LEU 41 CO 0.05 0.20 0.85 1.23 -0.13 0.00 0.00 178.44 180.63 1mxl h GLY 42 N -1.08 0.24 1.56 3.75 0.00 -1.12 1.06 103.07 107.48 1mxl h GLY 42 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1mxl h GLY 42 CO 0.05 -0.04 0.18 1.70 0.00 0.00 0.00 176.54 178.44 1mxl h LYS 43 N 0.07 0.00 0.12 4.80 3.64 -1.64 -0.64 116.57 122.91 1mxl h LYS 43 Ca 0.59 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.67 1mxl h LYS 43 Cb 2.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.04 1mxl h LYS 43 CO -0.07 0.00 -1.55 0.28 -2.27 0.00 0.00 179.45 175.84 1mxl h VAL 44 N 0.00 1.13 -0.20 2.00 2.07 0.11 -3.37 116.25 117.99 1mxl h VAL 44 Ca 0.07 -2.78 0.03 0.00 0.82 0.00 0.00 66.70 64.85 1mxl h VAL 44 Cb 0.43 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 1mxl h VAL 44 CO -0.00 0.82 -0.49 0.24 0.02 0.00 0.00 177.57 178.16 1mxl h MET 45 N 0.07 -0.44 -1.14 1.57 2.86 -1.06 0.66 114.93 117.45 1mxl h MET 45 Ca -0.25 0.03 0.36 0.00 -2.06 0.00 0.00 59.70 57.78 1mxl h MET 45 Cb 2.02 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 33.65 1mxl h MET 45 CO 0.16 -0.30 0.71 0.07 1.06 0.00 0.00 176.91 178.62 1mxl h ARG 46 N -0.46 0.23 0.00 1.72 0.11 -1.15 1.44 114.38 116.26 1mxl h ARG 46 Ca 0.04 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.91 1mxl h ARG 46 Cb 0.58 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.58 1mxl h ARG 46 CO -0.44 0.15 -0.92 0.52 0.10 0.00 0.00 179.97 179.38 1mxl h MET 47 N 0.23 0.00 0.00 0.08 2.86 -0.66 -3.07 114.93 114.38 1mxl h MET 47 Ca 0.74 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.38 1mxl h MET 47 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 1mxl h MET 47 CO -0.45 0.92 0.00 1.28 1.06 0.00 0.00 176.91 179.72 1mxl n LEU 48 N -3.43 0.51 0.00 1.22 7.99 0.49 -4.78 117.00 119.00 1mxl n LEU 48 Ca -0.00 0.68 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 1mxl n LEU 48 Cb 0.88 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 1mxl n LEU 48 CO 0.46 -0.70 0.00 0.61 -1.51 0.00 0.00 177.39 176.25 1mxl n GLY 49 N -0.69 1.24 3.28 -0.72 0.00 -0.85 -5.07 105.19 102.39 1mxl n GLY 49 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1mxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mxl s GLN 50 N -0.51 1.21 -0.39 1.61 -0.21 -1.06 -5.02 119.66 115.28 1mxl s GLN 50 Ca 0.00 -1.45 0.08 0.00 0.02 0.00 0.00 55.36 54.01 1mxl s GLN 50 Cb 0.00 0.32 0.26 0.00 1.00 0.00 0.00 33.01 34.59 1mxl s GLN 50 CO 0.00 -0.42 0.58 0.27 -2.12 0.00 0.00 175.29 173.60 1mxl n ASN 51 N -0.25 0.04 -4.78 5.90 6.94 -1.26 -1.21 115.26 120.63 1mxl n ASN 51 Ca -0.02 -2.78 -0.36 0.00 -0.02 0.00 0.00 54.58 51.41 1mxl n ASN 51 Cb 0.64 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1mxl s PRO 52 N -1.22 3.86 1.12 -0.53 0.04 -1.26 -5.00 135.00 132.01 1mxl s PRO 52 Ca 0.35 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1mxl s PRO 52 Cb 0.20 -2.29 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1mxl s PRO 52 CO -0.11 -0.41 0.09 0.25 0.04 0.00 0.00 177.00 176.86 1mxl n THR 53 N -0.61 0.00 0.12 1.26 -2.24 -1.26 -4.67 114.28 106.88 1mxl n THR 53 Ca 0.08 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1mxl n THR 53 Cb 0.50 -0.60 0.14 0.00 -2.10 0.00 0.00 70.33 68.28 1mxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1mxl h PRO 54 N -2.28 0.07 0.00 -0.78 0.13 -1.95 -2.87 132.00 124.32 1mxl h PRO 54 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1mxl h PRO 54 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1mxl h PRO 54 CO 0.33 0.69 -0.27 1.49 -0.23 0.00 0.00 178.00 180.01 1mxl h GLU 55 N 0.05 0.00 0.01 0.86 4.81 -1.99 -3.10 114.58 115.21 1mxl h GLU 55 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1mxl h GLU 55 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1mxl h GLU 55 CO 0.09 0.00 -0.00 1.49 -0.73 0.00 0.00 179.01 179.85 1mxl h GLU 56 N 0.00 -0.01 0.00 1.92 4.57 -1.85 -3.26 114.58 115.95 1mxl h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mxl h GLU 56 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1mxl h GLU 56 CO 0.00 0.81 0.00 1.47 -1.18 0.00 0.00 179.01 180.11 1mxl n LEU 57 N -4.67 0.00 0.23 1.64 -0.00 -1.10 -3.02 117.00 110.08 1mxl n LEU 57 Ca -0.09 0.33 0.06 0.00 -0.00 0.00 0.00 56.01 56.32 1mxl n LEU 57 Cb 0.40 -0.33 0.55 0.00 -0.00 0.00 0.00 43.42 44.04 1mxl n LEU 57 CO 0.30 -0.11 0.94 -0.61 -0.00 0.00 0.00 177.39 177.92 1mxl h GLN 58 N 0.00 0.00 -0.65 1.47 -0.00 -1.58 -2.85 115.11 111.51 1mxl h GLN 58 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.79 1mxl h GLN 58 Cb 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 27.59 1mxl h GLN 58 CO 0.00 0.14 -0.04 1.49 0.00 0.00 0.00 178.83 180.42 1mxl h GLU 59 N 0.00 0.08 -0.93 1.69 4.57 -1.73 0.23 114.58 118.49 1mxl h GLU 59 Ca -0.00 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 1mxl h GLU 59 Cb 0.25 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.75 1mxl h GLU 59 CO 0.02 0.05 0.59 0.52 -1.18 0.00 0.00 179.01 179.01 1mxl h MET 60 N 0.08 0.74 -0.05 1.92 2.86 -1.77 0.95 114.93 119.67 1mxl h MET 60 Ca 0.33 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1mxl h MET 60 Cb 0.55 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1mxl h MET 60 CO -0.58 0.49 -0.56 0.82 1.06 0.00 0.00 176.91 178.13 1mxl h ILE 61 N 0.77 1.38 0.07 -1.22 5.03 -0.72 -3.20 117.51 119.62 1mxl h ILE 61 Ca 0.47 -1.91 -0.29 0.00 -0.12 0.00 0.00 64.86 63.01 1mxl h ILE 61 Cb 0.69 1.98 -0.02 0.00 -3.03 0.00 0.00 36.82 36.43 1mxl h ILE 61 CO -0.23 0.56 -1.54 -0.78 -0.68 0.00 0.00 178.15 175.47 1mxl h ASP 62 N 0.12 0.24 -0.47 1.72 1.82 0.13 -3.16 116.42 116.80 1mxl h ASP 62 Ca -0.00 -0.36 0.14 0.00 -0.39 0.00 0.00 57.03 56.41 1mxl h ASP 62 Cb 1.03 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 1mxl h ASP 62 CO 0.08 1.31 0.53 -0.33 -1.61 0.00 0.00 179.24 179.22 1mxl h GLU 63 N 0.04 0.00 -0.37 0.28 4.39 0.82 -1.30 114.58 118.44 1mxl h GLU 63 Ca -0.24 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.18 1mxl h GLU 63 Cb 1.98 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 30.30 1mxl h GLU 63 CO 0.13 0.00 -0.90 1.33 -1.16 0.00 0.00 179.01 178.41 1mxl n VAL 64 N -3.65 1.60 -3.86 3.13 0.24 -1.24 -4.96 118.33 109.59 1mxl n VAL 64 Ca 0.09 -3.03 -0.29 0.00 -2.04 0.00 0.00 64.34 59.07 1mxl n VAL 64 Cb 0.72 0.21 -0.13 0.00 -1.47 0.00 0.00 33.84 33.17 1mxl n VAL 64 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mxl s ASP 65 N -3.31 4.17 -0.19 -1.34 1.11 -0.49 -4.77 116.67 111.85 1mxl s ASP 65 Ca 0.38 -3.18 0.03 0.00 0.18 0.00 0.00 52.55 49.95 1mxl s ASP 65 Cb 0.37 -1.45 0.32 0.00 1.07 0.00 0.00 42.92 43.23 1mxl s ASP 65 CO -0.04 -0.19 1.36 1.21 1.18 0.00 0.00 175.17 178.69 1mxl n GLU 66 N 2.85 1.81 0.00 8.23 2.13 -1.26 -3.76 120.64 130.63 1mxl n GLU 66 Ca 0.11 -1.41 0.00 0.00 0.66 0.00 0.00 57.16 56.53 1mxl n GLU 66 Cb 0.34 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1mxl n ASP 67 N -0.16 3.87 0.00 4.31 8.00 -1.26 -5.01 116.55 126.30 1mxl n ASP 67 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1mxl n ASP 67 Cb 0.98 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 42.70 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 68 N 2.13 0.57 0.00 0.44 0.00 -1.25 -4.90 105.19 102.18 1mxl n GLY 68 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1mxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mxl n SER 69 N 0.25 0.00 -1.07 1.61 3.41 -1.26 -4.85 113.62 111.72 1mxl n SER 69 Ca 0.00 -0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.34 1mxl n SER 69 Cb 0.00 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1mxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mxl n GLY 70 N 0.73 1.38 3.20 5.00 0.00 -1.26 -4.94 105.19 109.29 1mxl n GLY 70 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1mxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mxl s THR 71 N -2.31 0.26 0.04 2.61 -4.23 -1.26 -4.65 115.64 106.11 1mxl s THR 71 Ca 0.00 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1mxl s THR 71 Cb 0.00 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1mxl s THR 71 CO 0.00 -0.30 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.88 1mxl s VAL 72 N -3.95 1.75 0.54 2.29 1.01 -0.95 -4.85 120.40 116.24 1mxl s VAL 72 Ca 0.29 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1mxl s VAL 72 Cb 0.07 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1mxl s VAL 72 CO 0.06 0.25 0.16 -0.67 0.00 0.00 0.00 175.10 174.90 1mxl n ASP 73 N 1.87 3.20 0.07 3.32 -0.08 -1.26 -1.82 116.55 121.85 1mxl n ASP 73 Ca -0.17 -3.16 0.07 0.00 -1.51 0.00 0.00 54.79 50.02 1mxl n ASP 73 Cb 0.53 0.21 0.31 0.00 2.34 0.00 0.00 41.12 44.51 1mxl n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1mxl n PHE 74 N -1.51 0.36 -0.03 -0.67 7.35 -1.26 -1.31 117.46 120.39 1mxl n PHE 74 Ca -0.14 0.17 -0.15 0.00 -0.76 0.00 0.00 57.45 56.57 1mxl n PHE 74 Cb 0.65 -0.77 -0.14 0.00 0.35 0.00 0.00 39.48 39.57 1mxl n PHE 74 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1mxl n ASP 75 N -1.85 1.47 0.12 -2.13 5.75 -1.26 -3.65 116.55 115.00 1mxl n ASP 75 Ca 0.00 0.24 0.02 0.00 -0.01 0.00 0.00 54.79 55.05 1mxl n ASP 75 Cb 0.08 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 39.80 1mxl n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1mxl h GLU 76 N 0.03 0.00 0.15 0.11 5.08 -1.69 -3.34 114.58 114.92 1mxl h GLU 76 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1mxl h GLU 76 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1mxl h GLU 76 CO 0.06 0.46 -0.07 0.35 -1.00 0.00 0.00 179.01 178.81 1mxl h PHE 77 N 0.00 -0.19 -1.21 4.33 3.57 -1.36 -2.30 116.94 119.78 1mxl h PHE 77 Ca -0.03 -0.00 0.38 0.00 3.53 0.00 0.00 57.97 61.84 1mxl h PHE 77 Cb 1.41 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 40.10 1mxl h PHE 77 CO 0.00 0.26 0.77 -0.07 -2.23 0.00 0.00 178.31 177.05 1mxl h LEU 78 N -0.78 0.32 0.16 0.59 3.38 -1.69 0.10 115.31 117.40 1mxl h LEU 78 Ca -0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1mxl h LEU 78 Cb 0.53 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1mxl h LEU 78 CO 0.03 -0.10 -0.08 0.58 0.09 0.00 0.00 178.44 178.97 1mxl h VAL 79 N 0.19 0.68 -1.15 1.22 2.07 -1.66 -2.60 116.25 114.99 1mxl h VAL 79 Ca 0.74 -1.14 0.33 0.00 0.82 0.00 0.00 66.70 67.45 1mxl h VAL 79 Cb 2.19 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 33.04 1mxl h VAL 79 CO -0.39 0.19 0.77 -0.03 0.02 0.00 0.00 177.57 178.13 1mxl h MET 80 N -0.94 0.21 -0.08 1.57 -1.53 -0.45 0.19 114.93 113.90 1mxl h MET 80 Ca -0.02 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.15 1mxl h MET 80 Cb 0.48 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.48 1mxl h MET 80 CO 0.04 0.14 -0.24 0.52 0.14 0.00 0.00 176.91 177.51 1mxl h MET 81 N 0.22 0.30 -0.91 0.39 2.07 -1.15 -3.17 114.93 112.69 1mxl h MET 81 Ca 0.63 -0.22 0.15 0.00 -2.07 0.00 0.00 59.70 58.20 1mxl h MET 81 Cb 1.96 0.04 -0.10 0.00 -1.87 0.00 0.00 31.60 31.63 1mxl h MET 81 CO -0.23 0.84 0.51 0.28 1.07 0.00 0.00 176.91 179.38 1mxl h VAL 82 N -0.18 0.75 -0.77 -2.22 2.07 -0.24 0.23 116.25 115.89 1mxl h VAL 82 Ca -0.01 -0.24 0.20 0.00 0.82 0.00 0.00 66.70 67.47 1mxl h VAL 82 Cb 0.86 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1mxl h VAL 82 CO 0.05 0.13 0.54 0.03 0.02 0.00 0.00 177.57 178.34 1mxl h ARG 83 N 0.71 0.15 -2.12 1.57 3.08 -1.33 -2.22 114.38 114.21 1mxl h ARG 83 Ca 0.50 -0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.88 1mxl h ARG 83 Cb 0.69 -0.03 -0.37 0.00 0.08 0.00 0.00 29.97 30.34 1mxl h ARG 83 CO -0.35 0.10 -0.08 0.00 -1.07 0.00 0.00 179.97 178.56 1mxl n MET 85 N -0.27 0.21 -0.71 0.00 2.81 -0.84 -4.81 117.12 113.52 1mxl n MET 85 Ca 0.38 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.96 1mxl n MET 85 Cb 0.39 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.85 1mxl n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mxl n LYS 86 N -0.94 1.05 -0.73 0.03 4.81 -1.26 -4.90 118.16 116.22 1mxl n LYS 86 Ca 0.00 -1.33 -0.30 0.00 -0.87 0.00 0.00 58.31 55.81 1mxl n LYS 86 Cb 0.00 -2.55 0.20 0.00 0.02 0.00 0.00 35.03 32.69 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1mxl s ASP 87 N 5.06 2.21 0.00 3.14 1.01 -1.26 -4.98 116.67 121.85 1mxl s ASP 87 Ca 0.46 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.49 1mxl s ASP 87 Cb 0.11 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1mxl s ASP 87 CO 0.11 -3.48 0.00 0.47 0.21 0.00 0.00 175.17 172.48 1mxl n ASP 88 N -4.46 0.61 -0.76 0.27 9.92 -1.26 -5.25 116.55 115.63 1mxl n ASP 88 Ca 0.07 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.43 1mxl n ASP 88 Cb 0.54 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.09 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79