#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yts s SER 2 N 0.00 -0.21 -0.06 1.61 1.04 -1.26 -5.16 113.70 109.66 2yts s SER 2 Ca 0.00 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 2yts s SER 2 Cb 0.00 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.35 2yts s SER 2 CO 0.00 -0.27 0.06 -0.44 0.98 0.00 0.00 173.24 173.58 2yts s SER 3 N -1.63 1.32 -0.51 7.02 0.01 -1.26 -5.05 113.70 113.60 2yts s SER 3 Ca 0.05 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.34 2yts s SER 3 Cb -0.01 -0.16 0.38 0.00 0.21 0.00 0.00 66.02 66.44 2yts s SER 3 CO -0.04 -0.26 1.02 0.61 0.41 0.00 0.00 173.24 174.97 2yts n GLY 4 N 5.30 5.72 3.25 3.44 0.00 -1.26 -5.03 105.19 116.60 2yts n GLY 4 Ca -0.04 -2.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.11 2yts n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yts s SER 5 N -3.49 -0.15 0.47 1.61 0.15 -1.26 -5.17 113.70 105.86 2yts s SER 5 Ca 0.48 -0.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.02 2yts s SER 5 Cb 0.34 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2yts s SER 5 CO -0.16 -0.56 0.72 -0.44 1.20 0.00 0.00 173.24 174.00 2yts s SER 6 N -1.80 5.93 0.00 5.45 0.01 -1.26 -5.11 113.70 116.92 2yts s SER 6 Ca -0.08 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2yts s SER 6 Cb -0.02 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2yts s SER 6 CO -0.01 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2yts n GLY 7 N -2.17 0.50 0.12 3.44 0.00 -1.26 -5.00 105.19 100.82 2yts n GLY 7 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2yts n GLY 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yts h THR 8 N 0.00 1.49 0.00 2.61 1.35 -2.03 -3.50 112.91 112.83 2yts h THR 8 Ca 0.00 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 2yts h THR 8 Cb 0.00 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2yts h THR 8 CO 0.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2yts n GLY 9 N 1.10 1.30 1.58 5.82 0.00 -1.26 -4.96 105.19 108.78 2yts n GLY 9 Ca -0.10 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.70 2yts n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yts n GLU 10 N -1.19 4.20 -2.66 1.61 4.07 -1.26 -4.98 120.64 120.43 2yts n GLU 10 Ca 0.00 -3.02 -0.37 0.00 -0.06 0.00 0.00 57.16 53.72 2yts n GLU 10 Cb 0.00 -2.08 -0.05 0.00 -0.06 0.00 0.00 31.44 29.25 2yts n GLU 10 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2yts s LYS 11 N -2.55 4.36 0.06 5.31 3.01 -1.26 -4.98 119.74 123.69 2yts s LYS 11 Ca 0.50 1.42 -0.18 0.00 -1.01 0.00 0.00 55.97 56.70 2yts s LYS 11 Cb 0.38 -2.64 -0.12 0.00 -1.01 0.00 0.00 37.83 34.43 2yts s LYS 11 CO 0.16 0.05 1.38 -1.00 0.51 0.00 0.00 175.35 176.45 2yts h PRO 12 N 2.78 0.50 -5.45 -1.68 0.13 -1.91 -3.43 132.00 122.93 2yts h PRO 12 Ca -0.48 -0.26 -0.66 0.00 -0.87 0.00 0.00 66.00 63.73 2yts h PRO 12 Cb 1.20 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 2yts h PRO 12 CO 0.63 0.84 -0.79 0.71 -0.23 0.00 0.00 178.00 179.16 2yts s TYR 13 N -4.34 2.75 -0.16 1.56 2.02 -1.17 -5.06 117.35 112.95 2yts s TYR 13 Ca -0.13 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 55.80 2yts s TYR 13 Cb 0.07 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2yts s TYR 13 CO 0.78 -0.20 0.41 0.42 -1.57 0.00 0.00 175.55 175.39 2yts s ILE 14 N 0.22 -0.01 0.02 2.71 1.01 -1.26 -0.39 121.20 123.49 2yts s ILE 14 Ca -0.10 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 2yts s ILE 14 Cb -0.16 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.67 2yts s ILE 14 CO 0.06 0.02 1.34 0.00 0.00 0.00 0.00 174.94 176.35 2yts n ASN 16 N 4.88 4.55 -0.03 0.00 3.02 -1.26 -2.80 115.26 123.61 2yts n ASN 16 Ca 0.12 -2.95 -0.06 0.00 -0.03 0.00 0.00 54.58 51.66 2yts n ASN 16 Cb 0.44 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 2yts n ASN 16 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yts n GLU 17 N 0.09 0.13 -0.07 3.52 1.02 -1.26 -4.88 120.64 119.18 2yts n GLU 17 Ca 0.32 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.41 2yts n GLU 17 Cb 1.18 -0.82 -0.07 0.00 -0.02 0.00 0.00 31.44 31.72 2yts n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yts n GLY 19 N 2.76 0.88 3.73 0.00 0.00 -1.12 -5.10 105.19 106.33 2yts n GLY 19 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2yts n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yts s LYS 20 N 0.24 2.65 -0.02 1.61 2.20 -1.24 -4.91 119.74 120.26 2yts s LYS 20 Ca 0.00 -0.98 0.05 0.00 -0.36 0.00 0.00 55.97 54.69 2yts s LYS 20 Cb 0.00 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 2yts s LYS 20 CO 0.00 0.47 -0.18 -1.12 -0.36 0.00 0.00 175.35 174.16 2yts s SER 21 N -2.98 3.73 -0.00 1.43 0.01 -1.26 0.28 113.70 114.91 2yts s SER 21 Ca 0.29 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.25 2yts s SER 21 Cb -0.10 -0.67 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 2yts s SER 21 CO 0.21 0.32 -0.06 -0.36 0.41 0.00 0.00 173.24 173.76 2yts s PHE 22 N -0.74 0.51 -0.12 2.43 0.08 0.48 -4.98 117.98 115.64 2yts s PHE 22 Ca 0.12 -0.13 0.15 0.00 0.12 0.00 0.00 56.93 57.19 2yts s PHE 22 Cb -0.10 -0.33 0.09 0.00 -0.57 0.00 0.00 43.02 42.11 2yts s PHE 22 CO 0.01 -0.01 1.45 -0.84 -0.10 0.00 0.00 175.22 175.73 2yts h ILE 23 N 4.97 0.93 -3.31 0.64 -2.65 -2.01 -3.09 117.51 112.99 2yts h ILE 23 Ca -0.29 -2.26 -0.66 0.00 1.03 0.00 0.00 64.86 62.68 2yts h ILE 23 Cb 1.19 2.42 -0.18 0.00 -2.05 0.00 0.00 36.82 38.20 2yts h ILE 23 CO 0.49 0.52 -0.81 -1.10 0.03 0.00 0.00 178.15 177.29 2yts s GLN 24 N -2.98 1.64 0.00 0.16 -1.52 -1.26 -4.81 119.66 110.89 2yts s GLN 24 Ca 0.04 -1.41 -0.25 0.00 -1.95 0.00 0.00 55.36 51.78 2yts s GLN 24 Cb 0.08 -1.95 -0.19 0.00 -0.22 0.00 0.00 33.01 30.73 2yts s GLN 24 CO 0.75 0.42 1.36 -0.22 -0.25 0.00 0.00 175.29 177.34 2yts h LYS 25 N 3.29 -0.02 -0.82 2.91 1.63 -1.98 -3.15 116.57 118.44 2yts h LYS 25 Ca -0.47 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.50 2yts h LYS 25 Cb 1.20 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.72 2yts h LYS 25 CO 0.48 0.37 0.33 0.77 -3.45 0.00 0.00 179.45 177.95 2yts h SER 26 N -0.41 0.28 -0.26 4.20 0.02 -1.97 0.70 113.55 116.12 2yts h SER 26 Ca -0.00 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2yts h SER 26 Cb 0.39 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 2yts h SER 26 CO 0.00 0.06 -0.30 0.45 -1.14 0.00 0.00 176.83 175.90 2yts h HIS 27 N 0.42 -0.83 0.41 3.45 3.86 -1.98 0.00 115.15 120.49 2yts h HIS 27 Ca 0.48 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.71 2yts h HIS 27 Cb 0.80 0.40 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2yts h HIS 27 CO -0.16 -0.37 -0.20 1.25 0.86 0.00 0.00 177.93 179.31 2yts h LEU 28 N -0.31 -0.47 -1.70 2.43 5.85 -1.27 -0.20 115.31 119.65 2yts h LEU 28 Ca 0.13 -0.12 0.44 0.00 0.84 0.00 0.00 57.88 59.17 2yts h LEU 28 Cb 0.52 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 2yts h LEU 28 CO -0.43 -0.10 0.99 -1.13 -0.34 0.00 0.00 178.44 177.44 2yts h ASN 29 N -0.90 0.14 0.00 1.25 -0.73 -0.71 0.15 115.58 114.78 2yts h ASN 29 Ca -0.06 0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 2yts h ASN 29 Cb 0.56 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 2yts h ASN 29 CO 0.09 -0.06 -0.47 -0.09 -0.37 0.00 0.00 177.43 176.53 2yts h ARG 30 N 0.07 0.00 -0.84 6.67 2.43 -0.85 -3.36 114.38 118.51 2yts h ARG 30 Ca 0.78 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 60.13 2yts h ARG 30 Cb 2.74 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 32.18 2yts h ARG 30 CO -0.20 0.99 0.35 1.25 -1.51 0.00 0.00 179.97 180.84 2yts h HIS 31 N -1.00 0.59 -0.07 2.20 2.76 0.11 0.33 115.15 120.07 2yts h HIS 31 Ca -0.13 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.10 2yts h HIS 31 Cb 1.10 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 2yts h HIS 31 CO 0.21 0.01 0.68 0.00 -1.30 0.00 0.00 177.93 177.53 2yts h ARG 32 N 0.43 0.00 -0.74 5.26 3.08 -1.10 0.17 114.38 121.48 2yts h ARG 32 Ca 0.49 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.75 2yts h ARG 32 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 2yts h ARG 32 CO -0.47 0.00 0.54 0.07 -1.07 0.00 0.00 179.97 179.04 2yts h ARG 33 N 0.00 0.00 -0.00 0.04 0.11 -0.54 0.39 114.38 114.38 2yts h ARG 33 Ca 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.06 2yts h ARG 33 Cb 1.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.46 2yts h ARG 33 CO -0.00 0.00 -0.23 -0.84 0.10 0.00 0.00 179.97 179.00 2yts h ILE 34 N 0.00 1.17 0.00 0.08 3.07 -0.87 -3.31 117.51 117.65 2yts h ILE 34 Ca 0.35 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2yts h ILE 34 Cb 1.43 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2yts h ILE 34 CO -0.00 0.23 -0.48 1.41 -1.05 0.00 0.00 178.15 178.26 2yts n HIS 35 N -4.26 0.69 -1.58 0.16 8.25 0.12 -4.79 115.22 113.81 2yts n HIS 35 Ca -0.02 0.30 -0.34 0.00 -0.26 0.00 0.00 57.72 57.40 2yts n HIS 35 Cb 0.29 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 2yts n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yts s THR 36 N -2.11 3.02 0.23 1.59 -4.23 -0.41 -4.89 115.64 108.84 2yts s THR 36 Ca -0.14 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 2yts s THR 36 Cb 0.02 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 2yts s THR 36 CO 0.20 -0.05 0.28 -0.83 -0.54 0.00 0.00 174.62 173.69 2yts s GLY 37 N 11.97 1.15 -1.41 3.99 0.00 -1.26 -4.76 107.32 117.00 2yts s GLY 37 Ca 0.96 -1.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.19 2yts s GLY 37 CO 0.24 -1.10 0.99 -2.21 0.00 0.00 0.00 173.10 171.02 2yts n GLU 38 N -0.34 -6.24 -3.83 2.90 2.13 -1.26 -4.95 120.64 109.04 2yts n GLU 38 Ca 0.01 0.70 -0.28 0.00 0.66 0.00 0.00 57.16 58.24 2yts n GLU 38 Cb 0.64 -5.58 -0.12 0.00 0.27 0.00 0.00 31.44 26.65 2yts n GLU 38 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2yts s LYS 39 N -6.28 2.22 0.40 5.31 2.20 -1.26 -4.91 119.74 117.42 2yts s LYS 39 Ca 0.45 -3.13 0.29 0.00 -0.36 0.00 0.00 55.97 53.21 2yts s LYS 39 Cb -0.21 -3.14 1.19 0.00 -1.51 0.00 0.00 37.83 34.16 2yts s LYS 39 CO 0.79 -1.29 1.85 -1.00 -0.36 0.00 0.00 175.35 175.34 2yts h PRO 40 N 5.51 0.00 -4.60 4.03 0.13 -1.97 -3.40 132.00 131.69 2yts h PRO 40 Ca 0.15 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.56 2yts h PRO 40 Cb 0.78 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.71 2yts h PRO 40 CO 0.67 0.00 -0.10 -1.54 -0.23 0.00 0.00 178.00 176.79 2yts s SER 41 N -4.93 6.19 0.00 1.44 1.04 -1.26 -4.79 113.70 111.39 2yts s SER 41 Ca 0.03 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2yts s SER 41 Cb 0.09 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2yts s SER 41 CO 0.46 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2yts n GLY 42 N 5.21 -0.73 3.59 7.32 0.00 -1.26 -5.09 105.19 114.23 2yts n GLY 42 Ca -0.10 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2yts n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yts s PRO 43 N 0.00 3.26 -0.58 1.61 0.04 -1.26 -4.96 135.00 133.11 2yts s PRO 43 Ca 0.00 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 2yts s PRO 43 Cb 0.00 -4.20 0.15 0.00 0.04 0.00 0.00 34.50 30.50 2yts s PRO 43 CO 0.00 -1.95 0.41 -1.54 0.04 0.00 0.00 177.00 173.96 2yts s SER 44 N 5.99 5.46 0.16 6.66 1.04 -1.26 -5.05 113.70 126.70 2yts s SER 44 Ca 0.74 -2.54 -0.09 0.00 0.48 0.00 0.00 55.95 54.54 2yts s SER 44 Cb -0.19 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 2yts s SER 44 CO 0.31 -0.47 0.27 -0.55 0.98 0.00 0.00 173.24 173.78 2yts s SER 45 N 1.36 0.06 0.00 7.02 0.15 -1.26 -5.29 113.70 115.74 2yts s SER 45 Ca 0.14 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2yts s SER 45 Cb -0.21 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2yts s SER 45 CO -0.04 -0.88 0.11 0.61 1.20 0.00 0.00 173.24 174.24