#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmv n SER 2 N 0.00 -0.42 -0.11 1.61 2.88 -1.26 -5.08 113.62 111.24 2dmv n SER 2 Ca 0.00 -2.55 -0.14 0.00 -1.33 0.00 0.00 58.87 54.85 2dmv n SER 2 Cb 0.00 1.16 -0.12 0.00 -0.75 0.00 0.00 64.21 64.51 2dmv n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmv n SER 3 N -2.05 1.70 0.00 -3.46 7.64 -1.26 -5.08 113.62 111.11 2dmv n SER 3 Ca 0.05 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2dmv n SER 3 Cb 0.43 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2dmv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmv n GLY 4 N 2.24 3.33 3.87 0.23 0.00 -1.26 -5.17 105.19 108.42 2dmv n GLY 4 Ca -0.38 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 2dmv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmv s SER 5 N 0.00 4.71 -0.12 1.61 0.01 -1.26 -5.08 113.70 113.56 2dmv s SER 5 Ca 0.00 -1.08 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 2dmv s SER 5 Cb 0.00 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2dmv s SER 5 CO 0.00 -0.88 0.06 0.28 0.41 0.00 0.00 173.24 173.11 2dmv h SER 6 N 0.94 0.00 0.00 2.44 0.02 -2.06 -3.50 113.55 111.40 2dmv h SER 6 Ca -0.39 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2dmv h SER 6 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dmv h SER 6 CO 0.59 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 177.59 2dmv n GLY 7 N 1.69 1.45 3.31 -3.77 0.00 -1.26 -5.13 105.19 101.48 2dmv n GLY 7 Ca -0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2dmv n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmv s LEU 8 N 0.00 0.50 0.95 0.99 1.43 -1.26 -5.14 118.68 116.15 2dmv s LEU 8 Ca 0.00 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2dmv s LEU 8 Cb 0.00 1.72 0.16 0.00 0.03 0.00 0.00 46.19 48.10 2dmv s LEU 8 CO 0.00 -0.77 1.09 -2.16 0.23 0.00 0.00 176.35 174.75 2dmv s PRO 9 N -3.28 0.79 -0.03 1.29 0.04 -1.26 -4.96 135.00 127.59 2dmv s PRO 9 Ca -0.00 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2dmv s PRO 9 Cb 0.01 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2dmv s PRO 9 CO -0.08 -2.52 1.48 -1.25 0.04 0.00 0.00 177.00 174.67 2dmv s PRO 10 N -4.94 4.24 0.00 0.56 0.04 -1.26 -2.75 135.00 130.88 2dmv s PRO 10 Ca 0.64 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2dmv s PRO 10 Cb -0.18 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2dmv s PRO 10 CO 0.57 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2dmv n GLY 11 N 3.82 0.68 3.68 0.56 0.00 -1.26 -5.09 105.19 107.58 2dmv n GLY 11 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2dmv n GLY 11 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dmv s TRP 12 N -2.00 3.19 0.02 1.61 0.52 -1.11 -2.44 118.94 118.73 2dmv s TRP 12 Ca 0.00 0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.30 2dmv s TRP 12 Cb 0.00 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2dmv s TRP 12 CO 0.00 0.41 0.01 -2.00 0.02 0.00 0.00 176.95 175.39 2dmv s GLU 13 N -0.64 2.77 -0.30 4.98 -6.30 0.94 -4.82 118.70 115.33 2dmv s GLU 13 Ca 0.11 -0.65 -0.09 0.00 -2.50 0.00 0.00 54.97 51.84 2dmv s GLU 13 Cb -0.12 -2.66 -0.01 0.00 0.00 0.00 0.00 34.13 31.34 2dmv s GLU 13 CO 0.02 0.61 0.14 -1.14 0.02 0.00 0.00 175.26 174.91 2dmv s GLN 14 N -1.74 3.43 0.24 4.30 0.74 -1.26 -0.64 119.66 124.73 2dmv s GLN 14 Ca 0.21 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.97 2dmv s GLN 14 Cb -0.12 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 2dmv s GLN 14 CO 0.12 -0.36 0.12 1.03 -0.55 0.00 0.00 175.29 175.65 2dmv s ARG 15 N 1.62 1.33 -0.01 1.67 0.52 -0.86 -5.03 118.95 118.20 2dmv s ARG 15 Ca 0.05 -1.72 0.02 0.00 -0.52 0.00 0.00 55.73 53.57 2dmv s ARG 15 Cb -0.17 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.29 2dmv s ARG 15 CO 0.06 -0.35 -0.07 0.08 0.02 0.00 0.00 175.30 175.03 2dmv s VAL 16 N -3.92 0.59 0.96 3.52 1.01 -1.26 -1.18 120.40 120.12 2dmv s VAL 16 Ca 0.38 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 2dmv s VAL 16 Cb 0.07 -0.50 0.20 0.00 0.00 0.00 0.00 36.38 36.15 2dmv s VAL 16 CO 0.13 0.17 1.31 -0.62 0.00 0.00 0.00 175.10 176.10 2dmv s ASP 17 N -0.15 3.10 0.00 3.32 -1.08 -1.22 -4.94 116.67 115.70 2dmv s ASP 17 Ca 0.03 0.29 0.24 0.00 -0.52 0.00 0.00 52.55 52.59 2dmv s ASP 17 Cb -0.03 -0.36 1.17 0.00 -1.46 0.00 0.00 42.92 42.24 2dmv s ASP 17 CO -0.00 -2.74 1.78 0.00 0.52 0.00 0.00 175.17 174.72 2dmv n GLN 18 N -3.78 0.29 -0.03 4.34 10.64 -1.26 -2.82 117.38 124.76 2dmv n GLN 18 Ca 0.15 0.07 -0.08 0.00 -1.83 0.00 0.00 57.00 55.31 2dmv n GLN 18 Cb 0.59 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.34 2dmv n GLN 18 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2dmv n HIS 19 N -1.32 0.83 0.00 2.61 8.25 -1.26 -4.98 115.22 119.35 2dmv n HIS 19 Ca 0.10 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2dmv n HIS 19 Cb 0.20 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.17 2dmv n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dmv n GLY 20 N 1.56 1.34 3.43 -1.41 0.00 -1.13 -5.08 105.19 103.90 2dmv n GLY 20 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 2dmv n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmv s ARG 21 N -0.35 3.03 0.33 1.61 0.52 -1.26 -4.90 118.95 117.92 2dmv s ARG 21 Ca 0.00 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 2dmv s ARG 21 Cb 0.00 -4.06 -0.11 0.00 0.52 0.00 0.00 34.95 31.29 2dmv s ARG 21 CO 0.00 -0.97 1.54 0.28 0.02 0.00 0.00 175.30 176.17 2dmv n VAL 22 N 5.32 1.49 -3.79 3.52 0.31 -1.26 -3.41 118.33 120.51 2dmv n VAL 22 Ca -0.10 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 2dmv n VAL 22 Cb 0.45 -1.96 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 2dmv n VAL 22 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2dmv s TYR 23 N -0.54 -0.25 0.24 3.52 -0.85 -0.33 -4.33 117.35 114.82 2dmv s TYR 23 Ca 0.59 0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 57.69 2dmv s TYR 23 Cb -0.49 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 41.89 2dmv s TYR 23 CO 0.56 -0.17 0.47 0.71 -1.52 0.00 0.00 175.55 175.60 2dmv s TYR 24 N -0.14 3.48 -0.07 -3.49 2.02 1.00 -2.02 117.35 118.13 2dmv s TYR 24 Ca -0.03 0.52 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 2dmv s TYR 24 Cb -0.03 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2dmv s TYR 24 CO 0.01 0.28 -0.09 0.08 -1.57 0.00 0.00 175.55 174.26 2dmv s VAL 25 N -1.95 0.93 -0.17 0.71 1.01 0.19 -2.44 120.40 118.68 2dmv s VAL 25 Ca 0.42 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2dmv s VAL 25 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2dmv s VAL 25 CO 0.29 0.32 0.43 -0.62 0.00 0.00 0.00 175.10 175.52 2dmv s ASP 26 N 1.02 6.53 0.15 3.32 -1.08 -1.00 -0.04 116.67 125.57 2dmv s ASP 26 Ca -0.08 0.63 0.24 0.00 -0.52 0.00 0.00 52.55 52.82 2dmv s ASP 26 Cb -0.15 -2.25 0.38 0.00 -1.46 0.00 0.00 42.92 39.45 2dmv s ASP 26 CO -0.00 -0.04 1.37 0.45 0.52 0.00 0.00 175.17 177.47 2dmv h HIS 27 N 7.07 0.00 0.00 -5.34 3.86 -1.85 0.14 115.15 119.03 2dmv h HIS 27 Ca -0.38 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.72 2dmv h HIS 27 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2dmv h HIS 27 CO 0.65 0.00 -2.01 0.28 0.86 0.00 0.00 177.93 177.71 2dmv n VAL 28 N -2.19 0.42 -0.04 2.45 0.31 -1.26 -4.54 118.33 113.48 2dmv n VAL 28 Ca 0.03 -0.56 -0.02 0.00 -0.01 0.00 0.00 64.34 63.79 2dmv n VAL 28 Cb 0.45 -0.14 -0.09 0.00 -0.91 0.00 0.00 33.84 33.15 2dmv n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dmv n GLU 29 N -2.35 1.55 -3.06 5.55 -0.58 -1.25 -5.04 120.64 115.47 2dmv n GLU 29 Ca -0.12 -0.04 -0.13 0.00 -0.42 0.00 0.00 57.16 56.44 2dmv n GLU 29 Cb 0.71 -1.29 0.07 0.00 -0.57 0.00 0.00 31.44 30.36 2dmv n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2dmv n LYS 30 N -2.25 -3.66 -4.29 3.49 4.76 0.49 -5.01 118.16 111.70 2dmv n LYS 30 Ca -0.13 0.71 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 2dmv n LYS 30 Cb 0.68 -5.17 -0.13 0.00 -1.84 0.00 0.00 35.03 28.57 2dmv n LYS 30 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dmv s ARG 31 N -4.63 0.81 -0.14 1.97 1.70 -1.24 -4.94 118.95 112.48 2dmv s ARG 31 Ca 0.19 -0.67 -0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2dmv s ARG 31 Cb -0.02 -0.77 -0.01 0.00 -0.57 0.00 0.00 34.95 33.57 2dmv s ARG 31 CO 0.60 0.19 -0.13 0.95 -1.08 0.00 0.00 175.30 175.83 2dmv s THR 32 N -0.81 2.98 -0.08 4.99 -4.23 -1.26 -2.39 115.64 114.85 2dmv s THR 32 Ca -0.00 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2dmv s THR 32 Cb -0.07 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.54 2dmv s THR 32 CO 0.01 0.52 0.19 0.28 -0.54 0.00 0.00 174.62 175.07 2dmv s THR 33 N 0.53 -0.02 -0.73 3.99 -1.32 -1.02 -5.00 115.64 112.07 2dmv s THR 33 Ca -0.09 0.08 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 2dmv s THR 33 Cb -0.16 -0.29 0.17 0.00 -1.51 0.00 0.00 72.50 70.72 2dmv s THR 33 CO 0.04 0.03 1.55 0.79 -2.21 0.00 0.00 174.62 174.82 2dmv n TRP 34 N 3.60 0.40 -4.45 9.09 7.02 -1.26 -0.00 117.44 131.83 2dmv n TRP 34 Ca -0.19 0.16 -0.23 0.00 -1.02 0.00 0.00 57.50 56.22 2dmv n TRP 34 Cb 0.55 -0.76 -0.09 0.00 -2.42 0.00 0.00 31.31 28.60 2dmv n TRP 34 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2dmv s ASP 35 N -3.60 2.39 0.95 -0.99 2.15 -1.26 -4.31 116.67 112.00 2dmv s ASP 35 Ca 0.05 -1.62 -0.12 0.00 0.43 0.00 0.00 52.55 51.29 2dmv s ASP 35 Cb 0.09 0.41 0.08 0.00 -0.30 0.00 0.00 42.92 43.19 2dmv s ASP 35 CO 0.30 -0.89 0.61 0.54 -0.17 0.00 0.00 175.17 175.56 2dmv n ARG 36 N -0.79 -0.45 0.26 4.34 3.00 -1.26 -4.62 116.66 117.13 2dmv n ARG 36 Ca -0.03 -0.08 0.17 0.00 -0.01 0.00 0.00 57.85 57.89 2dmv n ARG 36 Cb 0.65 -2.00 0.68 0.00 0.00 0.00 0.00 32.46 31.79 2dmv n ARG 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2dmv h PRO 37 N -1.71 0.00 -1.86 5.56 0.13 -1.99 -3.42 132.00 128.70 2dmv h PRO 37 Ca -0.44 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.78 2dmv h PRO 37 Cb 1.28 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 2dmv h PRO 37 CO 0.37 0.00 -0.11 -1.54 -0.23 0.00 0.00 178.00 176.49 2dmv s SER 38 N -5.41 -1.11 0.00 1.44 1.04 -1.26 -5.17 113.70 103.22 2dmv s SER 38 Ca 0.01 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2dmv s SER 38 Cb 0.09 2.25 0.00 0.00 0.10 0.00 0.00 66.02 68.46 2dmv s SER 38 CO 0.51 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2dmv n GLY 39 N 5.41 0.55 1.76 7.32 0.00 -1.26 -5.17 105.19 113.80 2dmv n GLY 39 Ca -0.11 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2dmv n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmv n PRO 40 N -0.10 -2.10 -3.52 1.61 -0.04 -1.26 -4.99 135.00 124.60 2dmv n PRO 40 Ca 0.00 -0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 62.17 2dmv n PRO 40 Cb 0.00 -0.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2dmv n PRO 40 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmv s SER 41 N -2.99 6.11 -0.16 3.54 0.01 -1.26 -5.00 113.70 113.94 2dmv s SER 41 Ca 0.36 -2.97 -0.07 0.00 1.31 0.00 0.00 55.95 54.58 2dmv s SER 41 Cb -0.04 -2.03 0.07 0.00 0.21 0.00 0.00 66.02 64.23 2dmv s SER 41 CO 0.27 -0.42 0.36 -0.94 0.41 0.00 0.00 173.24 172.93 2dmv s SER 42 N 1.21 -0.27 0.00 2.44 1.04 -1.26 -5.34 113.70 111.52 2dmv s SER 42 Ca 0.20 0.82 0.24 0.00 0.48 0.00 0.00 55.95 57.69 2dmv s SER 42 Cb -0.14 0.86 0.20 0.00 0.10 0.00 0.00 66.02 67.04 2dmv s SER 42 CO -0.07 -0.21 1.27 0.61 0.98 0.00 0.00 173.24 175.82