#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pit s PRO 2 N 0.00 3.58 0.43 2.89 0.04 -1.26 -4.96 135.00 135.72 1pit s PRO 2 Ca 0.00 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.26 1pit s PRO 2 Cb 0.00 -2.07 0.93 0.00 0.04 0.00 0.00 34.50 33.39 1pit s PRO 2 CO 0.00 -0.59 2.04 -0.44 0.04 0.00 0.00 177.00 178.05 1pit h ASP 3 N 0.69 0.30 0.41 6.66 3.32 -2.02 -1.29 116.42 124.49 1pit h ASP 3 Ca -0.47 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1pit h ASP 3 Cb 1.21 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1pit h ASP 3 CO 0.59 0.28 -0.02 2.19 -1.72 0.00 0.00 179.24 180.56 1pit h PHE 4 N 0.34 0.00 0.00 4.55 -5.15 -1.99 -0.78 116.94 113.91 1pit h PHE 4 Ca 0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 1pit h PHE 4 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 1pit h PHE 4 CO 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 178.31 176.33 1pit n LEU 6 N -1.85 2.72 -4.77 0.00 4.32 -0.30 -4.40 117.00 112.73 1pit n LEU 6 Ca 0.01 -0.92 -0.40 0.00 -0.02 0.00 0.00 56.01 54.67 1pit n LEU 6 Cb 0.08 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 1pit n LEU 6 CO 0.08 0.46 0.93 -1.83 -1.22 0.00 0.00 177.39 175.82 1pit s GLU 7 N -2.09 4.40 0.75 3.23 -1.05 0.12 -4.78 118.70 119.28 1pit s GLU 7 Ca 0.27 2.11 -0.12 0.00 -0.15 0.00 0.00 54.97 57.08 1pit s GLU 7 Cb 0.20 -3.08 0.05 0.00 -0.44 0.00 0.00 34.13 30.86 1pit s GLU 7 CO 0.35 -0.11 1.11 -1.25 0.95 0.00 0.00 175.26 176.32 1pit s PRO 8 N -1.74 2.28 -0.71 -4.83 0.04 -1.26 -4.91 135.00 123.87 1pit s PRO 8 Ca 0.48 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 1pit s PRO 8 Cb -0.38 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1pit s PRO 8 CO 0.50 -1.64 1.61 -1.25 0.04 0.00 0.00 177.00 176.26 1pit s PRO 9 N -4.58 2.90 -0.50 0.56 0.04 -1.26 -4.95 135.00 127.21 1pit s PRO 9 Ca 0.64 0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1pit s PRO 9 Cb -0.19 -4.41 0.03 0.00 0.04 0.00 0.00 34.50 29.96 1pit s PRO 9 CO 0.51 -2.52 1.00 -0.47 0.04 0.00 0.00 177.00 175.56 1pit s TYR 10 N 7.57 2.83 0.19 0.56 6.14 -1.26 -4.92 117.35 128.46 1pit s TYR 10 Ca 0.53 0.35 -0.05 0.00 0.64 0.00 0.00 57.07 58.54 1pit s TYR 10 Cb -0.10 -4.14 0.11 0.00 0.42 0.00 0.00 41.96 38.25 1pit s TYR 10 CO 0.15 -1.25 1.53 1.15 0.64 0.00 0.00 175.55 177.77 1pit h THR 11 N 6.10 1.30 0.00 4.34 2.02 -1.93 -3.43 112.91 121.31 1pit h THR 11 Ca -0.24 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1pit h THR 11 Cb 1.07 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1pit h THR 11 CO 1.08 0.52 0.00 0.61 0.37 0.00 0.00 175.52 178.10 1pit n GLY 12 N 0.12 0.65 2.87 2.16 0.00 -1.26 -0.22 105.19 109.51 1pit n GLY 12 Ca -0.02 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1pit n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pit n PRO 13 N 1.06 2.06 -4.05 1.61 -0.04 -1.26 -4.71 135.00 129.67 1pit n PRO 13 Ca 0.00 -1.97 -0.14 0.00 -0.04 0.00 0.00 63.50 61.36 1pit n PRO 13 Cb 0.00 -2.91 -0.13 0.00 -0.04 0.00 0.00 33.50 30.42 1pit n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pit n LYS 15 N 2.53 4.04 -3.87 0.00 5.02 -1.26 -4.74 118.16 119.89 1pit n LYS 15 Ca -0.16 -4.42 -0.09 0.00 -2.02 0.00 0.00 58.31 51.62 1pit n LYS 15 Cb 0.58 -2.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1pit n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pit s ALA 16 N -1.85 -0.70 -0.04 7.82 0.00 -1.25 -5.06 121.76 120.68 1pit s ALA 16 Ca 0.32 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1pit s ALA 16 Cb -0.01 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1pit s ALA 16 CO 0.03 -0.97 0.11 1.03 0.00 0.00 0.00 175.76 175.95 1pit s ARG 17 N -3.03 0.11 -0.13 0.00 3.00 -1.07 -4.31 118.95 113.52 1pit s ARG 17 Ca 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 55.73 56.03 1pit s ARG 17 Cb -0.05 0.01 0.07 0.00 0.00 0.00 0.00 34.95 34.98 1pit s ARG 17 CO 0.11 -0.04 0.23 0.42 0.00 0.00 0.00 175.30 176.01 1pit s ILE 18 N 0.26 -0.35 0.07 1.52 1.01 0.15 -4.96 121.20 118.90 1pit s ILE 18 Ca -0.02 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1pit s ILE 18 Cb -0.03 -0.46 -0.10 0.00 0.01 0.00 0.00 42.46 41.88 1pit s ILE 18 CO -0.01 0.05 1.88 -0.38 0.00 0.00 0.00 174.94 176.48 1pit n ILE 19 N 5.34 0.52 -4.38 2.92 2.08 -1.26 -0.40 119.36 124.18 1pit n ILE 19 Ca -0.05 -0.09 -0.20 0.00 0.56 0.00 0.00 62.75 62.97 1pit n ILE 19 Cb 0.50 -2.14 -0.10 0.00 -0.75 0.00 0.00 39.64 37.15 1pit n ILE 19 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1pit s ARG 20 N 3.40 1.59 0.23 0.38 1.81 0.23 -4.88 118.95 121.70 1pit s ARG 20 Ca 0.85 -1.90 0.05 0.00 -1.72 0.00 0.00 55.73 53.02 1pit s ARG 20 Cb -0.50 -0.40 -0.05 0.00 -0.45 0.00 0.00 34.95 33.55 1pit s ARG 20 CO 0.41 -0.34 -0.05 0.71 -0.68 0.00 0.00 175.30 175.34 1pit s TYR 21 N -3.54 1.63 -0.03 -0.53 1.51 0.00 -0.04 117.35 116.37 1pit s TYR 21 Ca 0.35 -0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1pit s TYR 21 Cb 0.06 -0.91 0.07 0.00 -0.11 0.00 0.00 41.96 41.08 1pit s TYR 21 CO 0.15 0.11 0.69 -0.59 -1.11 0.00 0.00 175.55 174.80 1pit s PHE 22 N -3.25 -0.62 -0.11 2.71 -0.71 0.13 -0.30 117.98 115.83 1pit s PHE 22 Ca 0.26 0.97 -0.30 0.00 -1.04 0.00 0.00 56.93 56.83 1pit s PHE 22 Cb 0.04 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 1pit s PHE 22 CO 0.08 -0.63 1.33 -0.47 -1.34 0.00 0.00 175.22 174.19 1pit s TYR 23 N -1.58 2.77 -0.76 3.49 6.14 -1.26 -0.56 117.35 125.59 1pit s TYR 23 Ca -0.08 0.90 -0.12 0.00 0.64 0.00 0.00 57.07 58.40 1pit s TYR 23 Cb -0.00 -3.57 0.20 0.00 0.42 0.00 0.00 41.96 39.01 1pit s TYR 23 CO 0.06 -2.05 0.68 1.21 0.64 0.00 0.00 175.55 176.09 1pit s ASN 24 N 2.08 6.42 0.13 4.32 2.47 -0.92 -4.66 114.94 124.79 1pit s ASN 24 Ca 0.59 -2.64 0.08 0.00 0.42 0.00 0.00 52.86 51.30 1pit s ASN 24 Cb -0.25 -2.14 0.42 0.00 -1.45 0.00 0.00 41.25 37.83 1pit s ASN 24 CO 0.20 -0.56 1.19 0.00 -3.72 0.00 0.00 177.10 174.21 1pit n ALA 25 N 3.99 0.91 1.38 1.71 0.00 -1.26 -0.22 120.51 127.02 1pit n ALA 25 Ca 0.10 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1pit n ALA 25 Cb 0.45 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 19.34 1pit n ALA 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pit n LYS 26 N -1.75 1.78 0.00 0.00 4.81 -1.26 -4.36 118.16 117.38 1pit n LYS 26 Ca -0.01 -1.14 0.00 0.00 -0.87 0.00 0.00 58.31 56.30 1pit n LYS 26 Cb 0.08 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1pit n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pit n ALA 27 N 0.38 1.90 0.00 3.14 0.00 0.06 -5.17 120.51 120.82 1pit n ALA 27 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1pit n ALA 27 Cb 0.39 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1pit n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pit n GLY 28 N 2.09 2.77 6.44 0.00 0.00 0.70 -5.09 105.19 112.10 1pit n GLY 28 Ca 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.07 1pit n GLY 28 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pit n LEU 29 N 0.00 0.00 -4.64 0.99 -0.00 -1.26 -4.38 117.00 107.71 1pit n LEU 29 Ca 0.00 0.08 -0.37 0.00 -0.00 0.00 0.00 56.01 55.72 1pit n LEU 29 Cb 0.00 -0.24 -0.10 0.00 -0.00 0.00 0.00 43.42 43.08 1pit n LEU 29 CO 0.00 -0.89 -0.15 0.00 -0.00 0.00 0.00 177.39 176.36 1pit s GLN 31 N 1.30 1.62 0.33 0.00 -0.21 0.28 -4.87 119.66 118.10 1pit s GLN 31 Ca 0.08 -1.86 0.01 0.00 0.02 0.00 0.00 55.36 53.61 1pit s GLN 31 Cb -0.14 -1.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 1pit s GLN 31 CO 0.07 -0.07 0.52 0.95 -2.12 0.00 0.00 175.29 174.64 1pit s THR 32 N -3.12 5.13 0.26 -0.19 -4.23 -1.26 -0.69 115.64 111.54 1pit s THR 32 Ca 0.33 -0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 60.09 1pit s THR 32 Cb 0.06 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 70.08 1pit s THR 32 CO 0.14 -0.51 0.77 0.72 -0.54 0.00 0.00 174.62 175.20 1pit s PHE 33 N -2.25 -0.15 -0.39 3.99 -0.71 0.94 -4.90 117.98 114.51 1pit s PHE 33 Ca 0.39 -0.30 -0.20 0.00 -1.04 0.00 0.00 56.93 55.78 1pit s PHE 33 Cb -0.10 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.43 1pit s PHE 33 CO 0.35 -1.19 0.62 0.08 -1.34 0.00 0.00 175.22 173.74 1pit s VAL 34 N -3.65 4.88 -0.04 -2.49 1.01 -1.26 -0.60 120.40 118.25 1pit s VAL 34 Ca 0.12 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1pit s VAL 34 Cb -0.05 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1pit s VAL 34 CO 0.06 -0.42 0.22 -0.47 0.00 0.00 0.00 175.10 174.49 1pit s TYR 35 N 2.70 3.60 0.00 5.22 5.04 0.47 -4.67 117.35 129.70 1pit s TYR 35 Ca 0.23 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1pit s TYR 35 Cb -0.14 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.19 1pit s TYR 35 CO 0.16 0.67 0.80 0.41 -1.34 0.00 0.00 175.55 176.26 1pit n GLY 36 N 1.50 -2.30 0.00 8.97 0.00 0.70 0.31 105.19 114.36 1pit n GLY 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1pit n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pit n GLY 37 N -0.59 1.22 3.59 -0.02 0.00 -1.25 -2.58 105.19 105.55 1pit n GLY 37 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1pit n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pit n ARG 39 N -0.88 -3.62 -0.89 0.00 3.00 -1.26 -4.63 116.66 108.38 1pit n ARG 39 Ca -0.05 0.61 -0.29 0.00 -0.01 0.00 0.00 57.85 58.11 1pit n ARG 39 Cb 0.63 -5.00 0.18 0.00 0.00 0.00 0.00 32.46 28.26 1pit n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pit s ALA 40 N -3.59 0.86 0.18 7.54 0.00 -1.26 -4.76 121.76 120.72 1pit s ALA 40 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1pit s ALA 40 Cb -0.05 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1pit s ALA 40 CO 0.82 -2.94 0.01 1.63 0.00 0.00 0.00 175.76 175.28 1pit n LYS 41 N -4.30 1.54 0.00 0.00 4.01 -1.26 -5.09 118.16 113.06 1pit n LYS 41 Ca 0.07 -1.26 -0.17 0.00 -0.51 0.00 0.00 58.31 56.43 1pit n LYS 41 Cb 0.54 0.32 -0.13 0.00 -0.51 0.00 0.00 35.03 35.24 1pit n LYS 41 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pit h ARG 42 N 0.00 0.20 -2.59 1.97 3.08 -1.98 -3.35 114.38 111.71 1pit h ARG 42 Ca -0.14 -0.32 -0.32 0.00 0.07 0.00 0.00 59.98 59.28 1pit h ARG 42 Cb 0.44 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1pit h ARG 42 CO 0.23 1.12 1.24 -1.71 -1.07 0.00 0.00 179.97 179.78 1pit n ASN 43 N -4.32 5.48 -3.51 7.04 5.15 -1.26 -4.67 115.26 119.15 1pit n ASN 43 Ca -0.12 -2.37 -0.28 0.00 -0.60 0.00 0.00 54.58 51.21 1pit n ASN 43 Cb 0.67 -1.25 -0.11 0.00 -0.53 0.00 0.00 39.78 38.56 1pit n ASN 43 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1pit s ASN 44 N 2.39 2.66 0.49 1.20 -0.87 -1.25 -4.33 114.94 115.23 1pit s ASN 44 Ca 0.56 -2.71 0.08 0.00 -1.57 0.00 0.00 52.86 49.22 1pit s ASN 44 Cb 0.21 -0.62 0.03 0.00 -0.02 0.00 0.00 41.25 40.86 1pit s ASN 44 CO -0.02 -0.23 0.59 -0.36 -2.57 0.00 0.00 177.10 174.51 1pit s PHE 45 N 0.39 2.15 -0.81 2.20 0.08 0.58 -4.86 117.98 117.71 1pit s PHE 45 Ca 0.24 -0.59 0.10 0.00 0.12 0.00 0.00 56.93 56.81 1pit s PHE 45 Cb -0.12 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1pit s PHE 45 CO -0.08 -0.63 0.58 1.63 -0.10 0.00 0.00 175.22 176.62 1pit n LYS 46 N -1.92 2.60 -3.45 0.44 5.02 -1.26 -0.82 118.16 118.77 1pit n LYS 46 Ca 0.09 -0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 55.85 1pit n LYS 46 Cb 0.61 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.54 1pit n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pit s SER 47 N -1.60 -0.52 0.25 4.39 1.04 -1.26 -4.88 113.70 111.12 1pit s SER 47 Ca 0.07 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1pit s SER 47 Cb 0.08 0.58 0.30 0.00 0.10 0.00 0.00 66.02 67.08 1pit s SER 47 CO 0.32 -0.95 1.83 0.00 0.98 0.00 0.00 173.24 175.42 1pit h ALA 48 N 2.07 1.17 -0.57 5.32 0.00 -1.95 -1.93 119.26 123.37 1pit h ALA 48 Ca -0.34 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.46 1pit h ALA 48 Cb 1.30 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1pit h ALA 48 CO 0.39 0.60 -0.49 0.93 0.00 0.00 0.00 179.25 180.69 1pit h GLU 49 N 1.04 -0.19 -0.24 0.00 4.39 -1.98 0.19 114.58 117.80 1pit h GLU 49 Ca 0.24 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1pit h GLU 49 Cb 0.18 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1pit h GLU 49 CO -0.02 -0.12 0.04 0.22 -1.16 0.00 0.00 179.01 177.96 1pit h ASP 50 N -0.19 0.38 -0.13 1.42 3.58 -1.93 -0.40 116.42 119.15 1pit h ASP 50 Ca 0.09 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.33 1pit h ASP 50 Cb 0.44 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.33 1pit h ASP 50 CO -0.64 0.54 -0.39 0.00 -2.88 0.00 0.00 179.24 175.87 1pit h MET 52 N -0.46 -0.63 -1.00 0.00 2.86 -0.49 0.11 114.93 115.32 1pit h MET 52 Ca 0.08 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.89 1pit h MET 52 Cb 0.61 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.32 1pit h MET 52 CO -0.39 -0.42 0.63 0.00 1.06 0.00 0.00 176.91 177.79 1pit h ARG 53 N -0.65 0.95 -0.03 1.72 -0.00 -0.89 0.21 114.38 115.69 1pit h ARG 53 Ca -0.02 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1pit h ARG 53 Cb 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 30.34 1pit h ARG 53 CO -0.04 0.63 0.01 1.15 0.00 0.00 0.00 179.97 181.71 1pit h THR 54 N 0.98 1.18 0.06 2.04 2.02 -0.39 -3.38 112.91 115.41 1pit h THR 54 Ca 0.50 -0.53 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 1pit h THR 54 Cb 0.52 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1pit h THR 54 CO -0.27 0.14 -0.91 0.00 0.37 0.00 0.00 175.52 174.85 1pit n GLY 56 N 1.62 -0.02 0.09 0.00 0.00 0.63 -4.09 105.19 103.43 1pit n GLY 56 Ca -0.21 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 1pit n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pit h GLY 57 N 0.00 0.00 -0.98 -0.02 0.00 -1.96 -3.40 103.07 96.71 1pit h GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pit h GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54