#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmv s SER 2 N 0.00 3.87 -0.41 1.61 0.15 -1.26 -5.10 113.70 112.56 2dmv s SER 2 Ca 0.00 -0.93 -0.27 0.00 0.70 0.00 0.00 55.95 55.46 2dmv s SER 2 Cb 0.00 -0.46 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 2dmv s SER 2 CO 0.00 0.02 0.98 -0.94 1.20 0.00 0.00 173.24 174.50 2dmv s SER 3 N -3.56 6.64 0.13 5.45 1.04 -1.26 -4.65 113.70 117.49 2dmv s SER 3 Ca 0.30 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2dmv s SER 3 Cb -0.05 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2dmv s SER 3 CO 0.16 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2dmv n GLY 4 N 4.59 -0.87 3.17 7.32 0.00 -1.26 -5.14 105.19 112.99 2dmv n GLY 4 Ca 0.08 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.55 1.77 -0.30 1.61 0.01 -1.26 -5.14 113.70 107.84 2dmv s SER 5 Ca 0.00 -0.53 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 2dmv s SER 5 Cb 0.00 -0.10 0.14 0.00 0.21 0.00 0.00 66.02 66.28 2dmv s SER 5 CO 0.00 0.01 0.71 -0.44 0.41 0.00 0.00 173.24 173.93 2dmv s SER 6 N -1.39 -1.06 0.00 2.44 0.01 -1.26 -5.11 113.70 107.33 2dmv s SER 6 Ca 0.01 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2dmv s SER 6 Cb -0.09 2.16 0.00 0.00 0.21 0.00 0.00 66.02 68.31 2dmv s SER 6 CO 0.02 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2dmv n GLY 7 N 5.36 -0.57 3.19 3.44 0.00 -1.26 -5.16 105.19 110.20 2dmv n GLY 7 Ca -0.10 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 1.40 0.97 0.99 1.43 -1.26 -5.15 118.68 117.05 2dmv s LEU 8 Ca 0.00 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2dmv s LEU 8 Cb 0.00 1.00 0.17 0.00 0.03 0.00 0.00 46.19 47.39 2dmv s LEU 8 CO 0.00 -0.66 1.09 -2.16 0.23 0.00 0.00 176.35 174.85 2dmv s PRO 9 N -3.33 0.70 -0.32 1.29 0.04 -1.26 -4.94 135.00 127.18 2dmv s PRO 9 Ca 0.01 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 2dmv s PRO 9 Cb 0.02 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2dmv s PRO 9 CO -0.08 -2.58 1.68 -1.25 0.04 0.00 0.00 177.00 174.81 2dmv s PRO 10 N -4.95 3.49 0.00 0.56 0.04 -1.26 -2.64 135.00 130.24 2dmv s PRO 10 Ca 0.65 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dmv s PRO 10 Cb -0.18 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dmv s PRO 10 CO 0.57 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2dmv n GLY 11 N 5.19 1.62 3.77 0.56 0.00 -1.26 -5.11 105.19 109.96 2dmv n GLY 11 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.67 3.29 0.40 1.61 0.52 -1.08 -2.51 118.94 119.50 2dmv s TRP 12 Ca 0.00 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.43 2dmv s TRP 12 Cb 0.00 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 2dmv s TRP 12 CO 0.00 0.55 0.31 -2.00 0.02 0.00 0.00 176.95 175.84 2dmv s GLU 13 N -1.46 2.49 -0.17 4.98 2.56 -0.10 -4.81 118.70 122.19 2dmv s GLU 13 Ca 0.20 -1.56 -0.00 0.00 0.00 0.00 0.00 54.97 53.61 2dmv s GLU 13 Cb -0.12 -2.31 0.04 0.00 2.00 0.00 0.00 34.13 33.74 2dmv s GLU 13 CO 0.10 -0.12 -0.08 -1.14 -0.56 0.00 0.00 175.26 173.47 2dmv s GLN 14 N -4.05 1.69 0.19 4.30 0.74 -1.26 -2.21 119.66 119.06 2dmv s GLN 14 Ca 0.45 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 55.27 2dmv s GLN 14 Cb -0.02 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 2dmv s GLN 14 CO 0.26 -0.39 0.11 1.03 -0.55 0.00 0.00 175.29 175.75 2dmv s ARG 15 N 1.56 1.16 0.07 1.67 0.52 -0.30 -5.01 118.95 118.63 2dmv s ARG 15 Ca 0.01 -1.60 0.04 0.00 -0.52 0.00 0.00 55.73 53.66 2dmv s ARG 15 Cb -0.15 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.52 2dmv s ARG 15 CO -0.08 -0.36 -0.12 0.08 0.02 0.00 0.00 175.30 174.84 2dmv s VAL 16 N -4.11 0.96 0.67 3.52 1.01 -1.26 -0.40 120.40 120.78 2dmv s VAL 16 Ca 0.36 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2dmv s VAL 16 Cb 0.07 -0.99 0.13 0.00 0.00 0.00 0.00 36.38 35.59 2dmv s VAL 16 CO 0.10 -0.30 0.92 -0.67 0.00 0.00 0.00 175.10 175.15 2dmv n ASP 17 N 1.24 1.33 0.00 3.32 2.03 -1.22 -4.97 116.55 118.28 2dmv n ASP 17 Ca -0.21 -2.10 0.13 0.00 0.52 0.00 0.00 54.79 53.13 2dmv n ASP 17 Cb 0.55 -0.59 0.72 0.00 -0.72 0.00 0.00 41.12 41.08 2dmv n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmv n GLN 18 N -2.68 0.57 0.00 -0.67 10.64 -1.26 -2.81 117.38 121.18 2dmv n GLN 18 Ca 0.15 0.02 0.04 0.00 -1.83 0.00 0.00 57.00 55.39 2dmv n GLN 18 Cb 0.55 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.32 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 -1.17 0.45 0.00 2.61 8.25 -1.26 -4.98 115.22 119.12 2dmv n HIS 19 Ca 0.16 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2dmv n HIS 19 Cb 0.16 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.43 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 1.38 1.12 3.46 -1.41 0.00 -1.12 -5.07 105.19 103.54 2dmv n GLY 20 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.71 3.09 0.33 1.61 0.52 -1.26 -4.90 118.95 117.62 2dmv s ARG 21 Ca 0.00 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.04 2dmv s ARG 21 Cb 0.00 -4.03 -0.11 0.00 0.52 0.00 0.00 34.95 31.33 2dmv s ARG 21 CO 0.00 -0.98 1.56 0.08 0.02 0.00 0.00 175.30 175.99 2dmv s VAL 22 N 2.20 2.02 -0.05 3.52 1.01 -1.26 -3.43 120.40 124.42 2dmv s VAL 22 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 2dmv s VAL 22 Cb -0.19 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2dmv s VAL 22 CO 0.12 0.00 0.20 -0.72 0.00 0.00 0.00 175.10 174.70 2dmv s TYR 23 N -0.42 -0.15 0.18 5.22 -0.85 0.46 -4.36 117.35 117.43 2dmv s TYR 23 Ca 0.60 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 57.46 2dmv s TYR 23 Cb -0.48 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 2dmv s TYR 23 CO 0.54 -0.19 0.37 0.71 -1.52 0.00 0.00 175.55 175.46 2dmv s TYR 24 N -0.46 3.48 -0.14 -3.49 2.02 0.10 -1.15 117.35 117.71 2dmv s TYR 24 Ca -0.06 0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 57.00 2dmv s TYR 24 Cb -0.04 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2dmv s TYR 24 CO 0.01 0.41 -0.06 0.08 -1.57 0.00 0.00 175.55 174.42 2dmv s VAL 25 N -1.80 1.05 -0.14 0.71 1.01 -0.94 -2.38 120.40 117.92 2dmv s VAL 25 Ca 0.38 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2dmv s VAL 25 Cb -0.11 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2dmv s VAL 25 CO 0.28 0.22 0.93 -0.62 0.00 0.00 0.00 175.10 175.91 2dmv s ASP 26 N 1.67 7.10 0.16 3.32 -1.08 -0.89 -0.93 116.67 126.03 2dmv s ASP 26 Ca 0.02 1.36 0.25 0.00 -0.52 0.00 0.00 52.55 53.66 2dmv s ASP 26 Cb -0.14 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.32 2dmv s ASP 26 CO -0.08 -0.44 1.49 0.45 0.52 0.00 0.00 175.17 177.11 2dmv h HIS 27 N 7.21 0.00 0.00 -5.34 3.86 -1.85 0.24 115.15 119.28 2dmv h HIS 27 Ca -0.29 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.73 2dmv h HIS 27 Cb 1.13 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 2dmv h HIS 27 CO 0.72 0.00 -2.13 0.28 0.86 0.00 0.00 177.93 177.66 2dmv n VAL 28 N -2.20 0.71 -0.04 2.45 0.31 -1.26 -4.52 118.33 113.78 2dmv n VAL 28 Ca 0.04 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2dmv n VAL 28 Cb 0.44 -0.26 -0.11 0.00 -0.91 0.00 0.00 33.84 33.00 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 -2.48 1.12 -3.07 5.55 1.02 -1.25 -5.04 120.64 116.50 2dmv n GLU 29 Ca -0.19 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.75 2dmv n GLU 29 Cb 0.85 -1.35 0.07 0.00 -0.02 0.00 0.00 31.44 30.99 2dmv n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dmv n LYS 30 N -2.25 -3.70 -4.17 3.49 4.76 0.85 -5.01 118.16 112.12 2dmv n LYS 30 Ca -0.12 0.71 -0.17 0.00 -2.87 0.00 0.00 58.31 55.86 2dmv n LYS 30 Cb 0.66 -5.19 -0.12 0.00 -1.84 0.00 0.00 35.03 28.54 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 -4.65 0.71 -0.13 1.97 1.70 -1.23 -4.94 118.95 112.39 2dmv s ARG 31 Ca 0.19 -0.78 0.01 0.00 -0.47 0.00 0.00 55.73 54.68 2dmv s ARG 31 Cb -0.02 -0.63 -0.01 0.00 -0.57 0.00 0.00 34.95 33.72 2dmv s ARG 31 CO 0.61 0.14 -0.17 0.95 -1.08 0.00 0.00 175.30 175.74 2dmv s THR 32 N -1.13 2.61 -0.07 4.99 -4.23 -1.26 -2.10 115.64 114.45 2dmv s THR 32 Ca -0.04 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 2dmv s THR 32 Cb -0.09 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.70 2dmv s THR 32 CO 0.01 0.54 0.18 0.28 -0.54 0.00 0.00 174.62 175.09 2dmv s THR 33 N 0.46 -0.00 0.02 3.99 -1.32 -1.00 -5.00 115.64 112.78 2dmv s THR 33 Ca -0.12 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.60 2dmv s THR 33 Cb -0.16 -0.26 0.24 0.00 -1.51 0.00 0.00 72.50 70.81 2dmv s THR 33 CO 0.05 0.00 1.77 -0.50 -2.21 0.00 0.00 174.62 173.73 2dmv h TRP 34 N 5.89 0.00 -1.39 9.09 4.06 -1.88 0.29 115.95 132.01 2dmv h TRP 34 Ca -0.26 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.06 2dmv h TRP 34 Cb 1.20 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.23 2dmv h TRP 34 CO 0.40 0.21 -0.57 -0.51 -3.56 0.00 0.00 178.44 174.41 2dmv s ASP 35 N -6.16 3.97 0.96 -3.49 1.11 -1.26 -4.26 116.67 107.53 2dmv s ASP 35 Ca 0.02 -1.40 -0.13 0.00 0.18 0.00 0.00 52.55 51.22 2dmv s ASP 35 Cb 0.09 -0.22 0.05 0.00 1.07 0.00 0.00 42.92 43.91 2dmv s ASP 35 CO 0.64 -0.54 0.47 0.54 1.18 0.00 0.00 175.17 177.46 2dmv n ARG 36 N -1.05 -0.39 0.25 8.23 3.00 -1.26 -4.72 116.66 120.72 2dmv n ARG 36 Ca -0.07 -0.07 0.17 0.00 -0.01 0.00 0.00 57.85 57.86 2dmv n ARG 36 Cb 0.67 -1.90 0.67 0.00 0.00 0.00 0.00 32.46 31.89 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 -1.63 0.00 -6.12 5.56 0.13 -2.00 -3.43 132.00 124.51 2dmv h PRO 37 Ca -0.44 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.01 2dmv h PRO 37 Cb 1.28 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 2dmv h PRO 37 CO 0.35 0.00 -0.66 0.45 -0.23 0.00 0.00 178.00 177.91 2dmv s SER 38 N -5.40 4.92 0.00 1.44 0.15 -1.26 -5.05 113.70 108.50 2dmv s SER 38 Ca 0.01 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dmv s SER 38 Cb 0.09 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2dmv s SER 38 CO 0.51 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.89 2dmv n GLY 39 N 1.89 0.78 3.77 9.45 0.00 -1.26 -5.09 105.19 114.73 2dmv n GLY 39 Ca -0.17 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.35 2dmv n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmv s PRO 40 N -0.95 3.38 -0.06 1.61 0.04 -1.26 -5.06 135.00 132.70 2dmv s PRO 40 Ca 0.00 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.70 2dmv s PRO 40 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dmv s PRO 40 CO 0.00 -0.83 -0.17 0.45 0.04 0.00 0.00 177.00 176.49 2dmv s SER 41 N -1.74 2.25 -0.14 6.66 0.15 -1.26 -5.11 113.70 114.49 2dmv s SER 41 Ca 0.72 -0.38 -0.17 0.00 0.70 0.00 0.00 55.95 56.83 2dmv s SER 41 Cb -0.24 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2dmv s SER 41 CO 0.27 0.12 0.41 -0.55 1.20 0.00 0.00 173.24 174.70 2dmv s SER 42 N 0.29 6.57 0.00 5.45 0.15 -1.26 -5.33 113.70 119.58 2dmv s SER 42 Ca -0.10 0.68 0.23 0.00 0.70 0.00 0.00 55.95 57.46 2dmv s SER 42 Cb -0.14 -2.25 1.39 0.00 -1.71 0.00 0.00 66.02 63.31 2dmv s SER 42 CO 0.04 0.01 1.76 0.61 1.20 0.00 0.00 173.24 176.86