#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2k s PRO 2 N 0.00 -0.48 -0.20 -0.14 0.04 -1.26 -4.87 135.00 128.09 1p2k s PRO 2 Ca 0.00 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 1p2k s PRO 2 Cb 0.00 -1.65 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1p2k s PRO 2 CO 0.00 -3.30 2.17 -3.47 0.04 0.00 0.00 177.00 172.44 1p2k n ASP 3 N -4.54 3.20 0.29 6.66 -0.08 -1.26 -4.82 116.55 116.01 1p2k n ASP 3 Ca 0.08 0.37 0.19 0.00 -1.51 0.00 0.00 54.79 53.92 1p2k n ASP 3 Cb 0.58 -1.49 1.02 0.00 2.34 0.00 0.00 41.12 43.56 1p2k n ASP 3 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1p2k h PHE 4 N 13.74 0.00 0.00 -0.67 -5.15 -1.98 -0.84 116.94 122.03 1p2k h PHE 4 Ca -0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.37 1p2k h PHE 4 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 1p2k h PHE 4 CO 0.94 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 177.25 1p2k n LEU 6 N -2.40 3.09 -4.79 0.00 4.77 -0.32 -4.60 117.00 112.75 1p2k n LEU 6 Ca 0.02 -1.20 -0.37 0.00 -0.03 0.00 0.00 56.01 54.42 1p2k n LEU 6 Cb 0.25 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1p2k n LEU 6 CO 0.21 0.59 0.55 -1.61 -1.33 0.00 0.00 177.39 175.80 1p2k s GLU 7 N -1.71 4.49 0.70 3.23 0.41 -1.04 -4.98 118.70 119.81 1p2k s GLU 7 Ca 0.31 1.16 -0.15 0.00 -0.41 0.00 0.00 54.97 55.88 1p2k s GLU 7 Cb 0.20 -2.93 0.02 0.00 -1.78 0.00 0.00 34.13 29.65 1p2k s GLU 7 CO 0.29 0.38 1.18 -1.25 -0.49 0.00 0.00 175.26 175.37 1p2k s PRO 8 N -1.84 2.36 0.39 0.39 0.04 -1.26 -4.92 135.00 130.16 1p2k s PRO 8 Ca 0.45 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.89 1p2k s PRO 8 Cb -0.19 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1p2k s PRO 8 CO 0.24 -1.65 1.46 -1.25 0.04 0.00 0.00 177.00 175.84 1p2k s PRO 9 N -3.92 4.02 -0.30 0.56 0.04 -1.26 -4.99 135.00 129.15 1p2k s PRO 9 Ca 0.73 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 64.26 1p2k s PRO 9 Cb -0.27 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.42 1p2k s PRO 9 CO 0.43 -0.58 0.01 -0.47 0.04 0.00 0.00 177.00 176.43 1p2k s TYR 10 N -1.14 3.26 0.12 0.56 6.14 -1.26 -4.98 117.35 120.05 1p2k s TYR 10 Ca 0.54 -1.82 -0.13 0.00 0.64 0.00 0.00 57.07 56.31 1p2k s TYR 10 Cb -0.45 -2.12 -0.07 0.00 0.42 0.00 0.00 41.96 39.73 1p2k s TYR 10 CO 0.61 -0.80 1.43 1.15 0.64 0.00 0.00 175.55 178.59 1p2k h THR 11 N 6.44 1.28 0.00 4.34 2.02 -1.95 -3.44 112.91 121.61 1p2k h THR 11 Ca -0.21 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1p2k h THR 11 Cb 1.06 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1p2k h THR 11 CO 0.54 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.55 1p2k n GLY 12 N 0.22 -0.53 0.18 2.16 0.00 -1.26 -0.16 105.19 105.79 1p2k n GLY 12 Ca -0.03 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.31 1p2k n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p2k h PRO 13 N 0.00 0.00 -7.16 1.61 0.13 -1.94 -3.43 132.00 121.20 1p2k h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1p2k h PRO 13 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1p2k h PRO 13 CO 0.00 0.39 0.39 0.00 -0.23 0.00 0.00 178.00 178.55 1p2k n VAL 15 N -1.99 3.24 -2.60 0.00 0.24 -1.22 -4.30 118.33 111.70 1p2k n VAL 15 Ca 0.10 -3.84 -0.22 0.00 -2.04 0.00 0.00 64.34 58.35 1p2k n VAL 15 Cb 0.52 -1.19 0.05 0.00 -1.47 0.00 0.00 33.84 31.75 1p2k n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p2k s ALA 16 N -3.81 3.81 -0.58 2.33 0.00 -0.26 -5.05 121.76 118.19 1p2k s ALA 16 Ca 0.56 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1p2k s ALA 16 Cb 0.46 -2.10 0.18 0.00 0.00 0.00 0.00 23.12 21.66 1p2k s ALA 16 CO -0.14 -0.92 0.47 -2.13 0.00 0.00 0.00 175.76 173.05 1p2k n ARG 17 N -2.47 1.30 -3.91 0.00 0.00 -1.26 -4.19 116.66 106.12 1p2k n ARG 17 Ca 0.09 -4.00 -0.35 0.00 -0.00 0.00 0.00 57.85 53.59 1p2k n ARG 17 Cb 0.60 -2.01 -0.10 0.00 0.00 0.00 0.00 32.46 30.94 1p2k n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p2k s ILE 18 N -1.06 4.76 -0.15 5.15 1.01 -0.63 -4.93 121.20 125.35 1p2k s ILE 18 Ca 0.30 -0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 1p2k s ILE 18 Cb 0.02 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1p2k s ILE 18 CO -0.16 0.41 0.92 -0.63 0.00 0.00 0.00 174.94 175.48 1p2k s ILE 19 N 0.75 4.83 0.31 2.92 1.01 -1.26 0.08 121.20 129.83 1p2k s ILE 19 Ca 0.04 1.83 0.03 0.00 0.00 0.00 0.00 60.65 62.54 1p2k s ILE 19 Cb -0.13 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1p2k s ILE 19 CO 0.02 0.01 0.10 -0.13 0.00 0.00 0.00 174.94 174.93 1p2k s ARG 20 N 2.15 1.58 0.10 2.79 1.81 -0.65 -4.95 118.95 121.79 1p2k s ARG 20 Ca 0.43 -1.89 0.06 0.00 -1.72 0.00 0.00 55.73 52.61 1p2k s ARG 20 Cb -0.17 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.81 1p2k s ARG 20 CO 0.14 -0.31 -0.06 0.71 -0.68 0.00 0.00 175.30 175.10 1p2k s TYR 21 N -3.52 2.83 0.02 -0.53 1.51 0.47 -1.00 117.35 117.13 1p2k s TYR 21 Ca 0.35 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1p2k s TYR 21 Cb 0.07 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1p2k s TYR 21 CO 0.15 0.45 0.01 -0.59 -1.11 0.00 0.00 175.55 174.46 1p2k s PHE 22 N -1.28 0.23 -0.17 2.71 -0.12 0.52 -0.05 117.98 119.82 1p2k s PHE 22 Ca 0.23 -0.49 -0.24 0.00 -0.05 0.00 0.00 56.93 56.38 1p2k s PHE 22 Cb -0.11 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1p2k s PHE 22 CO 0.16 -0.23 0.78 -0.47 -0.05 0.00 0.00 175.22 175.40 1p2k s TYR 23 N -1.68 3.41 -0.61 3.49 6.14 -1.26 -0.61 117.35 126.23 1p2k s TYR 23 Ca -0.14 1.17 -0.14 0.00 0.64 0.00 0.00 57.07 58.61 1p2k s TYR 23 Cb -0.08 -2.96 0.15 0.00 0.42 0.00 0.00 41.96 39.50 1p2k s TYR 23 CO -0.01 -0.22 0.54 1.21 0.64 0.00 0.00 175.55 177.71 1p2k s ASN 24 N 1.16 6.22 0.48 4.32 3.84 -0.20 -4.79 114.94 125.97 1p2k s ASN 24 Ca 0.36 -2.11 0.13 0.00 0.21 0.00 0.00 52.86 51.44 1p2k s ASN 24 Cb -0.16 -2.16 1.11 0.00 -0.55 0.00 0.00 41.25 39.49 1p2k s ASN 24 CO 0.12 -0.73 2.11 0.00 -2.79 0.00 0.00 177.10 175.81 1p2k h ALA 25 N 8.42 1.88 -0.37 1.71 0.00 -1.83 0.25 119.26 129.31 1p2k h ALA 25 Ca -0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1p2k h ALA 25 Cb 1.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1p2k h ALA 25 CO 0.91 0.11 -0.15 -0.22 0.00 0.00 0.00 179.25 179.90 1p2k h LYS 26 N 0.20 0.68 0.00 0.00 3.64 -1.95 -3.04 116.57 116.10 1p2k h LYS 26 Ca 0.05 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1p2k h LYS 26 Cb -0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1p2k h LYS 26 CO -0.01 0.80 -1.06 0.00 -2.27 0.00 0.00 179.45 176.92 1p2k n ALA 27 N -2.49 3.86 -2.66 5.00 0.00 -0.88 -4.98 120.51 118.36 1p2k n ALA 27 Ca 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1p2k n ALA 27 Cb 0.38 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1p2k n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2k n GLY 28 N 1.42 -0.04 3.36 0.00 0.00 0.84 -5.01 105.19 105.76 1p2k n GLY 28 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1p2k n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p2k s LEU 29 N -4.10 0.07 -0.11 0.99 0.05 -1.05 -4.96 118.68 109.57 1p2k s LEU 29 Ca 0.16 -0.09 -0.27 0.00 0.05 0.00 0.00 54.13 53.98 1p2k s LEU 29 Cb -0.07 2.07 -0.02 0.00 -2.05 0.00 0.00 46.19 46.12 1p2k s LEU 29 CO 0.20 -0.82 0.90 0.00 -0.55 0.00 0.00 176.35 176.08 1p2k s GLN 31 N 1.75 1.70 0.25 0.00 -0.21 0.22 -4.91 119.66 118.47 1p2k s GLN 31 Ca 0.44 -1.90 -0.05 0.00 0.02 0.00 0.00 55.36 53.87 1p2k s GLN 31 Cb -0.18 -1.34 -0.05 0.00 1.00 0.00 0.00 33.01 32.43 1p2k s GLN 31 CO 0.17 0.02 0.52 0.95 -2.12 0.00 0.00 175.29 174.83 1p2k s THR 32 N -2.89 5.04 0.22 -0.19 -4.23 -1.26 -0.36 115.64 111.98 1p2k s THR 32 Ca 0.32 0.08 -0.18 0.00 -1.18 0.00 0.00 61.69 60.73 1p2k s THR 32 Cb 0.05 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.21 1p2k s THR 32 CO 0.15 -0.22 0.56 0.72 -0.54 0.00 0.00 174.62 175.29 1p2k s PHE 33 N -1.97 -0.06 -0.23 3.99 -0.12 -0.17 -4.90 117.98 114.53 1p2k s PHE 33 Ca 0.44 -0.31 -0.17 0.00 -0.05 0.00 0.00 56.93 56.83 1p2k s PHE 33 Cb -0.11 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1p2k s PHE 33 CO 0.28 -1.01 0.45 0.08 -0.05 0.00 0.00 175.22 174.97 1p2k s VAL 34 N -3.91 5.14 -0.15 -2.49 1.01 -1.26 -1.63 120.40 117.11 1p2k s VAL 34 Ca 0.12 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 1p2k s VAL 34 Cb -0.02 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1p2k s VAL 34 CO 0.01 0.18 0.06 -0.47 0.00 0.00 0.00 175.10 174.88 1p2k s TYR 35 N 1.77 3.28 -0.94 5.22 5.04 0.11 -4.29 117.35 127.53 1p2k s TYR 35 Ca 0.20 0.15 0.23 0.00 -2.44 0.00 0.00 57.07 55.22 1p2k s TYR 35 Cb -0.15 -1.99 0.96 0.00 0.35 0.00 0.00 41.96 41.12 1p2k s TYR 35 CO 0.09 0.30 1.73 0.41 -1.34 0.00 0.00 175.55 176.74 1p2k n GLY 36 N 3.02 -1.32 0.00 8.97 0.00 0.77 -1.61 105.19 115.01 1p2k n GLY 36 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1p2k n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2k n GLY 37 N 0.84 1.67 3.24 -0.02 0.00 -1.26 -1.11 105.19 108.55 1p2k n GLY 37 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1p2k n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2k n ARG 39 N -0.10 -5.01 -1.70 0.00 5.12 -1.26 -4.47 116.66 109.24 1p2k n ARG 39 Ca -0.15 0.87 -0.39 0.00 -1.93 0.00 0.00 57.85 56.25 1p2k n ARG 39 Cb 0.63 -5.68 0.04 0.00 -1.16 0.00 0.00 32.46 26.29 1p2k n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1p2k n ALA 40 N -3.62 1.17 -2.02 7.54 0.00 -1.26 -4.88 120.51 117.43 1p2k n ALA 40 Ca -0.10 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 1p2k n ALA 40 Cb 0.61 -2.27 0.07 0.00 0.00 0.00 0.00 19.45 17.86 1p2k n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p2k s LYS 41 N -2.65 2.23 0.36 0.00 1.02 -1.26 -5.03 119.74 114.41 1p2k s LYS 41 Ca 0.69 -1.49 0.18 0.00 0.02 0.00 0.00 55.97 55.37 1p2k s LYS 41 Cb -0.45 -2.59 0.61 0.00 -0.52 0.00 0.00 37.83 34.88 1p2k s LYS 41 CO 0.51 -0.93 1.70 0.00 -0.92 0.00 0.00 175.35 175.72 1p2k h ARG 42 N 0.08 0.00 -3.43 1.68 3.08 -1.95 -3.31 114.38 110.52 1p2k h ARG 42 Ca -0.32 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.01 1p2k h ARG 42 Cb 1.28 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1p2k h ARG 42 CO 0.41 0.40 2.92 -1.71 -1.07 0.00 0.00 179.97 180.92 1p2k n ASN 43 N -3.52 5.96 -3.34 7.04 5.15 -1.26 -4.68 115.26 120.61 1p2k n ASN 43 Ca -0.00 -2.89 -0.05 0.00 -0.60 0.00 0.00 54.58 51.04 1p2k n ASN 43 Cb 0.53 -1.54 -0.06 0.00 -0.53 0.00 0.00 39.78 38.18 1p2k n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2k s ASN 44 N 1.93 -0.38 0.16 1.20 3.84 -1.25 -4.54 114.94 115.90 1p2k s ASN 44 Ca 0.52 0.59 0.08 0.00 0.21 0.00 0.00 52.86 54.25 1p2k s ASN 44 Cb 0.15 1.52 -0.04 0.00 -0.55 0.00 0.00 41.25 42.33 1p2k s ASN 44 CO -0.06 -0.28 -0.18 -0.36 -2.79 0.00 0.00 177.10 173.43 1p2k s PHE 45 N 2.67 1.80 -0.90 0.43 0.40 0.93 -4.92 117.98 118.39 1p2k s PHE 45 Ca 0.13 -0.47 0.27 0.00 -0.60 0.00 0.00 56.93 56.26 1p2k s PHE 45 Cb -0.15 -0.91 0.84 0.00 0.51 0.00 0.00 43.02 43.32 1p2k s PHE 45 CO -0.17 0.31 1.68 1.63 0.70 0.00 0.00 175.22 179.37 1p2k n LYS 46 N 0.38 0.09 -3.70 0.44 5.02 -1.26 -0.40 118.16 118.73 1p2k n LYS 46 Ca -0.14 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 1p2k n LYS 46 Cb 0.57 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1p2k n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2k s SER 47 N -3.45 -0.15 0.29 4.39 1.04 -1.26 -4.87 113.70 109.69 1p2k s SER 47 Ca 0.12 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1p2k s SER 47 Cb 0.17 0.43 0.43 0.00 0.10 0.00 0.00 66.02 67.15 1p2k s SER 47 CO 0.61 -0.79 1.79 0.00 0.98 0.00 0.00 173.24 175.84 1p2k h ALA 48 N 2.59 1.19 -0.63 5.32 0.00 -1.97 -2.37 119.26 123.39 1p2k h ALA 48 Ca -0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1p2k h ALA 48 Cb 1.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1p2k h ALA 48 CO 0.49 0.53 0.35 0.93 0.00 0.00 0.00 179.25 181.54 1p2k h GLU 49 N 0.62 0.88 -0.53 0.00 3.07 -1.99 -0.06 114.58 116.57 1p2k h GLU 49 Ca 0.12 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 1p2k h GLU 49 Cb 0.43 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1p2k h GLU 49 CO 0.02 0.66 0.10 -0.44 -1.40 0.00 0.00 179.01 177.95 1p2k h ASP 50 N 0.86 0.84 -0.20 1.42 3.32 -1.91 -1.74 116.42 119.01 1p2k h ASP 50 Ca 0.22 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1p2k h ASP 50 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1p2k h ASP 50 CO -0.04 0.88 0.11 0.00 -1.72 0.00 0.00 179.24 178.48 1p2k h LEU 52 N 0.22 1.01 -0.80 0.00 3.38 -0.93 0.21 115.31 118.41 1p2k h LEU 52 Ca 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1p2k h LEU 52 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1p2k h LEU 52 CO -0.01 1.00 0.34 -0.09 0.09 0.00 0.00 178.44 179.77 1p2k h ARG 53 N 0.98 1.18 0.19 1.13 2.43 -1.22 0.30 114.38 119.35 1p2k h ARG 53 Ca 0.20 -0.20 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 1p2k h ARG 53 Cb 0.41 -0.20 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1p2k h ARG 53 CO 0.01 0.94 -1.39 1.15 -1.51 0.00 0.00 179.97 179.16 1p2k h THR 54 N 1.15 1.19 -0.00 0.20 2.02 -1.20 -3.41 112.91 112.85 1p2k h THR 54 Ca 0.27 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1p2k h THR 54 Cb 0.18 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1p2k h THR 54 CO -0.03 0.78 -0.08 0.00 0.37 0.00 0.00 175.52 176.57 1p2k n GLY 56 N 0.67 0.77 1.54 0.00 0.00 0.09 -1.32 105.19 106.94 1p2k n GLY 56 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1p2k n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2k n GLY 57 N 2.94 1.15 0.00 -0.02 0.00 -1.26 -5.01 105.19 102.98 1p2k n GLY 57 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1p2k n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32