#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1miu s VAL 8 N 0.00 4.63 -0.58 0.52 1.01 -1.26 -4.99 120.40 119.73 1miu s VAL 8 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 1miu s VAL 8 Cb 0.00 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1miu s VAL 8 CO 0.00 -0.98 2.11 -0.62 0.00 0.00 0.00 175.10 175.61 1miu s ASP 9 N 2.82 4.88 0.34 3.32 3.68 -1.26 -4.81 116.67 125.63 1miu s ASP 9 Ca 0.22 0.60 0.11 0.00 2.13 0.00 0.00 52.55 55.61 1miu s ASP 9 Cb -0.16 -2.52 0.91 0.00 -1.45 0.00 0.00 42.92 39.70 1miu s ASP 9 CO 0.15 -2.65 1.75 -0.07 0.13 0.00 0.00 175.17 174.48 1miu h LEU 10 N 17.99 0.64 0.00 -1.34 3.38 -1.96 0.94 115.31 134.95 1miu h LEU 10 Ca -0.23 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1miu h LEU 10 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1miu h LEU 10 CO 1.19 0.13 0.01 0.61 0.09 0.00 0.00 178.44 180.47 1miu n GLY 11 N -1.35 -0.07 0.00 0.83 0.00 -1.26 -0.84 105.19 102.50 1miu n GLY 11 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1miu n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1miu n LEU 12 N -1.03 0.00 -4.68 0.99 4.77 0.32 -5.02 117.00 112.35 1miu n LEU 12 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.47 1miu n LEU 12 Cb 0.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1miu n LEU 12 CO 0.00 0.00 1.33 -0.11 -1.33 0.00 0.00 177.39 177.28 1miu n LEU 13 N -1.59 2.92 -4.53 2.23 7.94 -0.02 -4.85 117.00 119.10 1miu n LEU 13 Ca -0.00 1.03 -0.37 0.00 -1.11 0.00 0.00 56.01 55.56 1miu n LEU 13 Cb 0.07 -1.30 -0.03 0.00 0.53 0.00 0.00 43.42 42.69 1miu n LEU 13 CO 0.04 -0.30 1.82 -0.62 -1.11 0.00 0.00 177.39 177.22 1miu n GLU 14 N 5.28 2.52 -0.94 1.96 -0.58 -1.26 -4.94 120.64 122.68 1miu n GLU 14 Ca 0.22 -2.91 -0.32 0.00 -0.42 0.00 0.00 57.16 53.73 1miu n GLU 14 Cb 0.24 -3.57 0.14 0.00 -0.57 0.00 0.00 31.44 27.68 1miu n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1miu s GLU 15 N 5.10 1.44 0.17 3.49 2.02 -1.26 -4.96 118.70 124.69 1miu s GLU 15 Ca 0.60 1.56 -0.26 0.00 0.02 0.00 0.00 54.97 56.88 1miu s GLU 15 Cb 0.03 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.51 1miu s GLU 15 CO 0.10 -2.32 1.56 0.22 0.02 0.00 0.00 175.26 174.84 1miu h ASP 16 N -1.40 -1.62 -0.36 -0.19 -0.00 -2.05 -2.78 116.42 108.02 1miu h ASP 16 Ca -0.44 0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 56.83 1miu h ASP 16 Cb 1.27 0.74 -0.02 0.00 -0.00 0.00 0.00 39.33 41.32 1miu h ASP 16 CO 0.45 -0.32 0.03 -0.90 -0.00 0.00 0.00 179.24 178.49 1miu n ASP 17 N -5.39 3.74 -4.49 2.28 5.68 -1.26 -4.75 116.55 112.35 1miu n ASP 17 Ca 0.02 -2.58 -0.43 0.00 -0.50 0.00 0.00 54.79 51.31 1miu n ASP 17 Cb 0.34 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 1miu n ASP 17 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1miu s GLU 18 N -2.02 3.59 0.78 0.11 2.02 -1.05 -4.97 118.70 117.17 1miu s GLU 18 Ca 0.32 -1.50 -0.11 0.00 0.02 0.00 0.00 54.97 53.70 1miu s GLU 18 Cb 0.25 -5.09 0.06 0.00 0.10 0.00 0.00 34.13 29.45 1miu s GLU 18 CO 0.09 -1.95 1.08 -0.59 0.02 0.00 0.00 175.26 173.92 1miu s PHE 19 N 3.60 2.71 -0.28 1.61 -0.12 -1.26 -5.00 117.98 119.24 1miu s PHE 19 Ca 0.38 1.38 0.03 0.00 -0.05 0.00 0.00 56.93 58.67 1miu s PHE 19 Cb -0.03 -3.04 0.07 0.00 -0.63 0.00 0.00 43.02 39.39 1miu s PHE 19 CO -0.10 -1.77 -0.07 -2.00 -0.05 0.00 0.00 175.22 171.24 1miu s GLU 20 N -4.99 1.99 0.04 1.99 2.56 -1.26 -5.01 118.70 114.02 1miu s GLU 20 Ca 0.61 -1.42 -0.26 0.00 0.00 0.00 0.00 54.97 53.90 1miu s GLU 20 Cb -0.16 -2.92 -0.17 0.00 2.00 0.00 0.00 34.13 32.88 1miu s GLU 20 CO 0.56 -0.66 1.48 1.49 -0.56 0.00 0.00 175.26 177.57 1miu h GLU 21 N 7.76 -0.26 -4.86 4.30 4.81 -2.03 -3.35 114.58 120.93 1miu h GLU 21 Ca -0.16 0.02 -0.71 0.00 -0.13 0.00 0.00 59.36 58.38 1miu h GLU 21 Cb 1.04 0.06 -0.18 0.00 0.63 0.00 0.00 28.75 30.30 1miu h GLU 21 CO 0.47 -0.03 0.99 -0.06 -0.73 0.00 0.00 179.01 179.65 1miu s PHE 22 N -5.35 3.30 0.12 0.92 2.99 -1.26 -4.92 117.98 113.78 1miu s PHE 22 Ca -0.15 -1.70 -0.33 0.00 0.00 0.00 0.00 56.93 54.75 1miu s PHE 22 Cb 0.04 -4.27 -0.11 0.00 0.00 0.00 0.00 43.02 38.67 1miu s PHE 22 CO 0.62 -1.43 1.56 -1.35 -0.00 0.00 0.00 175.22 174.62 1miu h PRO 23 N 8.15 -0.56 -5.48 0.24 0.11 -2.03 -3.20 132.00 129.23 1miu h PRO 23 Ca 0.21 0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.16 1miu h PRO 23 Cb 0.97 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1miu h PRO 23 CO 1.14 -0.38 0.59 0.00 -0.21 0.00 0.00 178.00 179.15 1miu s ALA 24 N -5.77 1.33 -0.04 -0.75 0.00 -1.26 -5.15 121.76 110.12 1miu s ALA 24 Ca -0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.23 1miu s ALA 24 Cb 0.08 -4.62 -0.00 0.00 0.00 0.00 0.00 23.12 18.57 1miu s ALA 24 CO 0.62 -5.49 0.06 0.93 0.00 0.00 0.00 175.76 171.87 1miu h GLU 25 N 11.13 -0.03 -4.09 0.00 4.39 -2.00 -3.54 114.58 120.45 1miu h GLU 25 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1miu h GLU 25 Cb 0.98 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 1miu h GLU 25 CO 1.14 -0.02 -0.88 1.58 -1.16 0.00 0.00 179.01 179.68 1miu n HIS 37 N -3.31 -3.22 0.00 4.33 -0.00 -1.26 -5.21 115.22 106.55 1miu n HIS 37 Ca -0.00 1.90 0.00 0.00 -0.00 0.00 0.00 57.72 59.61 1miu n HIS 37 Cb 0.01 -3.23 0.00 0.00 -0.00 0.00 0.00 29.99 26.78 1miu n HIS 37 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1miu n VAL 38 N 1.22 0.00 -4.40 3.57 0.31 -1.26 -4.90 118.33 112.87 1miu n VAL 38 Ca -0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.90 1miu n VAL 38 Cb 0.21 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.01 1miu n VAL 38 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 1miu s TRP 39 N 0.00 2.36 -0.21 3.52 1.48 -1.26 -5.11 118.94 119.72 1miu s TRP 39 Ca 0.00 -0.36 -0.02 0.00 -1.06 0.00 0.00 56.10 54.66 1miu s TRP 39 Cb 0.00 -1.28 -0.00 0.00 -1.16 0.00 0.00 33.47 31.03 1miu s TRP 39 CO 0.00 0.34 -0.09 -2.00 -4.06 0.00 0.00 176.95 171.14 1miu s GLU 40 N -2.03 3.27 0.00 3.25 2.56 -1.26 -5.08 118.70 119.41 1miu s GLU 40 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.44 1miu s GLU 40 Cb -0.10 -2.88 0.00 0.00 2.00 0.00 0.00 34.13 33.15 1miu s GLU 40 CO 0.07 -0.19 0.00 -0.40 -0.56 0.00 0.00 175.26 174.17 1miu n ASP 41 N 4.72 0.00 -4.72 -1.70 5.68 -1.26 -4.43 116.55 114.84 1miu n ASP 41 Ca -0.19 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.68 1miu n ASP 41 Cb 0.51 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1miu n ASP 41 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1miu s ASN 42 N 0.00 6.85 0.00 -1.12 2.20 -1.26 -4.98 114.94 116.63 1miu s ASN 42 Ca 0.00 2.32 0.00 0.00 -0.94 0.00 0.00 52.86 54.24 1miu s ASN 42 Cb 0.00 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.66 1miu s ASN 42 CO 0.00 -0.62 0.26 1.87 -2.94 0.00 0.00 177.10 175.67 1miu n TRP 43 N 3.72 0.00 -3.09 1.54 -0.00 -1.26 -4.20 117.44 114.15 1miu n TRP 43 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.18 1miu n TRP 43 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.67 1miu n TRP 43 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 1miu s ASP 44 N -2.65 6.38 0.00 5.87 -4.77 -1.26 -5.04 116.67 115.20 1miu s ASP 44 Ca 0.00 -0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 1miu s ASP 44 Cb 0.00 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.50 1miu s ASP 44 CO 0.00 -0.71 0.00 -0.90 0.70 0.00 0.00 175.17 174.26 1miu n ASP 45 N 6.22 0.00 0.00 2.11 5.75 -1.26 -5.23 116.55 124.15 1miu n ASP 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1miu n ASP 45 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1miu n ASP 45 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1miu n ASP 50 N -0.96 0.00 0.15 -1.12 8.00 -1.26 -5.20 116.55 116.16 1miu n ASP 50 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 1miu n ASP 50 Cb 0.00 -0.02 0.78 0.00 -0.02 0.00 0.00 41.12 41.86 1miu n ASP 50 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1miu h ASP 51 N 0.00 0.00 -0.23 -2.24 3.32 -2.04 0.14 116.42 115.37 1miu h ASP 51 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1miu h ASP 51 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1miu h ASP 51 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1miu n PHE 52 N -3.64 0.29 -0.13 4.55 3.01 -1.26 -4.20 117.46 116.08 1miu n PHE 52 Ca 0.04 -0.14 -0.26 0.00 1.01 0.00 0.00 57.45 58.10 1miu n PHE 52 Cb 0.50 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.88 1miu n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1miu n SER 53 N 0.66 1.94 -4.43 4.37 7.64 0.47 -4.81 113.62 119.46 1miu n SER 53 Ca 0.17 0.35 -0.44 0.00 1.01 0.00 0.00 58.87 59.96 1miu n SER 53 Cb 0.41 -0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1miu n SER 53 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1miu s ASN 54 N -7.19 6.92 -0.22 6.43 0.01 -1.14 -5.01 114.94 114.74 1miu s ASN 54 Ca -0.36 -2.71 -0.26 0.00 -0.71 0.00 0.00 52.86 48.82 1miu s ASN 54 Cb 0.12 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.42 1miu s ASN 54 CO 0.49 -0.79 0.88 -1.10 -1.51 0.00 0.00 177.10 175.06 1miu s GLN 55 N 1.53 4.23 0.00 -0.60 -1.52 -1.26 -4.90 119.66 117.14 1miu s GLN 55 Ca 0.36 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.83 1miu s GLN 55 Cb -0.05 -3.62 0.00 0.00 -0.22 0.00 0.00 33.01 29.12 1miu s GLN 55 CO -0.05 -0.49 0.00 -0.11 -0.25 0.00 0.00 175.29 174.39 1miu n LEU 56 N 5.86 0.00 0.00 2.90 7.94 -1.26 -1.99 117.00 130.44 1miu n LEU 56 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1miu n LEU 56 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1miu n LEU 56 CO 0.49 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 177.31 1miu n ARG 57 N 0.62 0.68 0.12 1.96 1.74 -1.26 -4.94 116.66 115.59 1miu n ARG 57 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1miu n ARG 57 Cb 0.00 -0.07 0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1miu n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1miu h ALA 58 N 0.00 0.69 -0.83 7.54 0.00 -1.81 -3.35 119.26 121.50 1miu h ALA 58 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1miu h ALA 58 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1miu h ALA 58 CO 0.00 0.60 0.54 0.93 0.00 0.00 0.00 179.25 181.32 1miu h GLU 59 N 0.00 1.03 0.00 0.00 5.08 -1.92 0.27 114.58 119.04 1miu h GLU 59 Ca -0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1miu h GLU 59 Cb 1.37 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1miu h GLU 59 CO 0.05 0.68 0.01 1.28 -1.00 0.00 0.00 179.01 180.04 1miu n LEU 60 N -4.55 0.00 -0.06 1.33 4.77 -1.26 0.10 117.00 117.34 1miu n LEU 60 Ca 0.09 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.31 1miu n LEU 60 Cb 0.06 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.66 1miu n LEU 60 CO 0.35 -0.34 -0.90 -0.62 -1.33 0.00 0.00 177.39 174.54 1miu n GLU 61 N -1.34 0.67 -0.15 3.23 -0.58 0.91 -4.27 120.64 119.11 1miu n GLU 61 Ca 0.00 0.15 -0.06 0.00 -0.42 0.00 0.00 57.16 56.83 1miu n GLU 61 Cb 0.01 -1.64 0.12 0.00 -0.57 0.00 0.00 31.44 29.36 1miu n GLU 61 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1miu h LYS 62 N 0.01 0.89 -0.02 3.49 3.11 0.11 -3.52 116.57 120.64 1miu h LYS 62 Ca -0.44 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.16 1miu h LYS 62 Cb 2.11 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 33.24 1miu h LYS 62 CO 0.04 0.87 0.00 0.72 -2.81 0.00 0.00 179.45 178.28