#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 0.39 -0.08 1.61 1.04 -1.26 -5.14 113.70 110.26 2dmv s SER 2 Ca 0.00 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.46 2dmv s SER 2 Cb 0.00 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 2dmv s SER 2 CO 0.00 -0.10 -0.24 -0.55 0.98 0.00 0.00 173.24 173.33 2dmv s SER 3 N 1.01 3.02 0.00 7.02 0.15 -1.26 -5.04 113.70 118.61 2dmv s SER 3 Ca -0.10 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2dmv s SER 3 Cb -0.14 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 2dmv s SER 3 CO -0.02 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2dmv n GLY 4 N 3.31 -0.23 3.40 9.45 0.00 -1.26 -4.84 105.19 115.03 2dmv n GLY 4 Ca -0.18 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.00 4.46 -0.75 1.61 0.01 -1.26 -5.07 113.70 108.70 2dmv s SER 5 Ca 0.00 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 2dmv s SER 5 Cb 0.00 -1.74 0.20 0.00 0.21 0.00 0.00 66.02 64.69 2dmv s SER 5 CO 0.00 0.09 0.68 -0.55 0.41 0.00 0.00 173.24 173.87 2dmv s SER 6 N 0.80 6.48 0.00 2.44 0.15 -1.26 -4.92 113.70 117.39 2dmv s SER 6 Ca -0.02 -2.55 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2dmv s SER 6 Cb -0.15 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2dmv s SER 6 CO 0.02 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2dmv n GLY 7 N 4.14 3.50 3.24 9.45 0.00 -1.26 -5.18 105.19 119.07 2dmv n GLY 7 Ca 0.08 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 1.08 0.99 0.99 1.43 -1.26 -5.16 118.68 116.75 2dmv s LEU 8 Ca 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 2dmv s LEU 8 Cb 0.00 1.26 0.18 0.00 0.03 0.00 0.00 46.19 47.67 2dmv s LEU 8 CO 0.00 -0.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.81 2dmv s PRO 9 N -3.35 0.49 -0.16 1.29 0.04 -1.26 -4.95 135.00 127.11 2dmv s PRO 9 Ca 0.01 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.30 2dmv s PRO 9 Cb 0.02 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2dmv s PRO 9 CO -0.08 -2.69 1.58 -1.25 0.04 0.00 0.00 177.00 174.59 2dmv s PRO 10 N -4.96 3.98 0.00 0.56 0.04 -1.26 -2.68 135.00 130.68 2dmv s PRO 10 Ca 0.65 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2dmv s PRO 10 Cb -0.19 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2dmv s PRO 10 CO 0.58 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2dmv n GLY 11 N 4.34 2.03 3.84 0.56 0.00 -1.26 -5.09 105.19 109.61 2dmv n GLY 11 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.15 3.47 0.54 1.61 0.52 -1.09 -2.37 118.94 119.47 2dmv s TRP 12 Ca 0.00 0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.58 2dmv s TRP 12 Cb 0.00 -1.87 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 2dmv s TRP 12 CO 0.00 0.65 0.47 -2.00 0.02 0.00 0.00 176.95 176.09 2dmv s GLU 13 N -1.23 2.27 -0.21 4.98 2.12 0.17 -4.79 118.70 122.01 2dmv s GLU 13 Ca 0.18 -1.94 -0.04 0.00 0.36 0.00 0.00 54.97 53.52 2dmv s GLU 13 Cb -0.12 -2.20 0.07 0.00 0.26 0.00 0.00 34.13 32.14 2dmv s GLU 13 CO 0.07 -0.64 0.08 -1.14 -0.54 0.00 0.00 175.26 173.09 2dmv s GLN 14 N -4.34 0.32 0.47 4.30 0.74 -1.26 -2.68 119.66 117.20 2dmv s GLN 14 Ca 0.39 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.49 2dmv s GLN 14 Cb -0.03 -1.82 -0.03 0.00 1.10 0.00 0.00 33.01 32.23 2dmv s GLN 14 CO 0.24 -0.74 0.02 1.03 -0.55 0.00 0.00 175.29 175.29 2dmv s ARG 15 N 2.01 2.09 -0.18 1.67 0.52 0.26 -4.98 118.95 120.33 2dmv s ARG 15 Ca 0.03 -2.29 -0.04 0.00 -0.52 0.00 0.00 55.73 52.91 2dmv s ARG 15 Cb -0.16 -1.44 0.09 0.00 0.52 0.00 0.00 34.95 33.95 2dmv s ARG 15 CO -0.14 -0.29 0.23 0.08 0.02 0.00 0.00 175.30 175.20 2dmv s VAL 16 N -2.89 -0.35 1.27 3.52 1.01 -1.26 -0.53 120.40 121.16 2dmv s VAL 16 Ca 0.16 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2dmv s VAL 16 Cb 0.04 -0.62 0.29 0.00 0.00 0.00 0.00 36.38 36.09 2dmv s VAL 16 CO 0.08 -0.12 0.68 -0.67 0.00 0.00 0.00 175.10 175.08 2dmv n ASP 17 N 5.33 -3.11 0.00 3.32 2.03 -1.20 -4.82 116.55 118.10 2dmv n ASP 17 Ca -0.05 -0.50 0.10 0.00 0.52 0.00 0.00 54.79 54.85 2dmv n ASP 17 Cb 0.50 -1.02 0.50 0.00 -0.72 0.00 0.00 41.12 40.38 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 -4.33 0.20 0.10 -0.67 10.64 -1.26 -2.42 117.38 119.64 2dmv n GLN 18 Ca 0.07 0.11 0.10 0.00 -1.83 0.00 0.00 57.00 55.45 2dmv n GLN 18 Cb 0.54 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.42 2dmv n GLN 18 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2dmv h HIS 19 N 0.00 0.00 0.00 2.61 3.86 -2.05 -3.48 115.15 116.09 2dmv h HIS 19 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dmv h HIS 19 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2dmv h HIS 19 CO 0.00 0.06 0.00 0.41 0.86 0.00 0.00 177.93 179.26 2dmv n GLY 20 N 1.20 0.82 3.47 2.45 0.00 -1.02 -5.06 105.19 107.05 2dmv n GLY 20 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.82 3.20 0.31 1.61 0.52 -1.26 -4.88 118.95 117.63 2dmv s ARG 21 Ca 0.00 -0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 2dmv s ARG 21 Cb 0.00 -4.11 -0.11 0.00 0.52 0.00 0.00 34.95 31.24 2dmv s ARG 21 CO 0.00 -1.45 1.56 0.08 0.02 0.00 0.00 175.30 175.51 2dmv s VAL 22 N 3.40 2.09 -0.07 3.52 1.01 -1.26 -3.20 120.40 125.89 2dmv s VAL 22 Ca 0.22 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2dmv s VAL 22 Cb -0.16 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.18 2dmv s VAL 22 CO 0.14 0.01 0.19 -0.72 0.00 0.00 0.00 175.10 174.72 2dmv s TYR 23 N -0.27 -0.21 0.33 5.22 -0.85 0.31 -4.35 117.35 117.52 2dmv s TYR 23 Ca 0.61 0.52 -0.08 0.00 -0.52 0.00 0.00 57.07 57.59 2dmv s TYR 23 Cb -0.47 0.06 -0.06 0.00 0.38 0.00 0.00 41.96 41.86 2dmv s TYR 23 CO 0.51 -0.11 0.64 0.71 -1.52 0.00 0.00 175.55 175.78 2dmv s TYR 24 N 0.27 3.46 -0.11 -3.49 2.02 0.90 -0.58 117.35 119.83 2dmv s TYR 24 Ca -0.01 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 2dmv s TYR 24 Cb -0.03 -2.27 0.03 0.00 -0.40 0.00 0.00 41.96 39.29 2dmv s TYR 24 CO -0.01 0.08 -0.06 0.08 -1.57 0.00 0.00 175.55 174.07 2dmv s VAL 25 N -2.16 0.90 -0.26 0.71 1.01 -1.09 -2.27 120.40 117.25 2dmv s VAL 25 Ca 0.48 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 2dmv s VAL 25 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2dmv s VAL 25 CO 0.29 0.33 0.70 -0.62 0.00 0.00 0.00 175.10 175.80 2dmv s ASP 26 N 1.76 6.65 0.00 3.32 -1.08 -0.75 -0.66 116.67 125.91 2dmv s ASP 26 Ca 0.05 0.77 0.29 0.00 -0.52 0.00 0.00 52.55 53.14 2dmv s ASP 26 Cb -0.13 -2.37 1.26 0.00 -1.46 0.00 0.00 42.92 40.23 2dmv s ASP 26 CO -0.08 -0.44 1.89 1.41 0.52 0.00 0.00 175.17 178.48 2dmv n HIS 27 N 5.85 0.00 -0.11 -5.34 8.25 -1.00 -0.09 115.22 122.79 2dmv n HIS 27 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 2dmv n HIS 27 Cb 0.48 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 2dmv n HIS 27 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dmv n VAL 28 N -1.14 1.32 0.03 1.59 0.31 -1.26 -4.57 118.33 114.60 2dmv n VAL 28 Ca 0.13 -0.58 0.10 0.00 -0.01 0.00 0.00 64.34 63.98 2dmv n VAL 28 Cb 0.28 -1.12 -0.16 0.00 -0.91 0.00 0.00 33.84 31.94 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 -3.05 0.61 -3.02 5.55 -0.58 -1.24 -5.02 120.64 113.88 2dmv n GLU 29 Ca -0.38 -0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.05 2dmv n GLU 29 Cb 0.98 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 30.43 2dmv n GLU 29 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dmv n LYS 30 N -2.18 -3.38 -4.15 3.49 3.00 0.88 -5.03 118.16 110.79 2dmv n LYS 30 Ca -0.03 0.70 -0.16 0.00 -0.00 0.00 0.00 58.31 58.82 2dmv n LYS 30 Cb 0.52 -5.11 -0.12 0.00 0.00 0.00 0.00 35.03 30.32 2dmv n LYS 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2dmv s ARG 31 N -4.55 0.66 -0.08 1.64 1.70 -1.21 -4.95 118.95 112.15 2dmv s ARG 31 Ca 0.21 -0.75 0.05 0.00 -0.47 0.00 0.00 55.73 54.76 2dmv s ARG 31 Cb -0.03 -0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 33.80 2dmv s ARG 31 CO 0.60 0.12 -0.23 0.95 -1.08 0.00 0.00 175.30 175.65 2dmv s THR 32 N -1.14 1.98 -0.07 4.99 -4.23 -1.26 -1.82 115.64 114.09 2dmv s THR 32 Ca -0.05 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 2dmv s THR 32 Cb -0.09 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.07 2dmv s THR 32 CO 0.01 0.55 0.18 0.28 -0.54 0.00 0.00 174.62 175.10 2dmv s THR 33 N 0.15 0.00 0.07 3.99 -1.32 -0.96 -4.99 115.64 112.58 2dmv s THR 33 Ca -0.12 -0.02 0.31 0.00 -1.21 0.00 0.00 61.69 60.65 2dmv s THR 33 Cb -0.16 -0.27 0.35 0.00 -1.51 0.00 0.00 72.50 70.92 2dmv s THR 33 CO 0.06 -0.01 1.93 -0.50 -2.21 0.00 0.00 174.62 173.89 2dmv h TRP 34 N 5.81 0.00 -1.20 9.09 4.06 -1.88 0.26 115.95 132.09 2dmv h TRP 34 Ca -0.25 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 0.41 0.05 -0.53 0.34 -3.56 0.00 0.00 178.44 175.15 2dmv s ASP 35 N -5.84 3.70 0.95 -3.49 2.15 -1.26 -4.27 116.67 108.61 2dmv s ASP 35 Ca 0.01 -1.60 -0.12 0.00 0.43 0.00 0.00 52.55 51.27 2dmv s ASP 35 Cb 0.09 0.34 0.07 0.00 -0.30 0.00 0.00 42.92 43.12 2dmv s ASP 35 CO 0.57 -0.79 0.59 0.54 -0.17 0.00 0.00 175.17 175.91 2dmv n ARG 36 N -1.11 -0.40 -2.10 4.34 1.74 -1.26 -4.66 116.66 113.21 2dmv n ARG 36 Ca -0.13 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.45 2dmv n ARG 36 Cb 0.67 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 2dmv n ARG 36 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dmv s PRO 37 N -3.90 3.50 0.06 5.56 0.04 -1.26 -4.88 135.00 134.12 2dmv s PRO 37 Ca 0.59 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 2dmv s PRO 37 Cb -0.21 -4.12 -0.27 0.00 0.04 0.00 0.00 34.50 29.93 2dmv s PRO 37 CO 0.65 -1.66 1.13 1.03 0.04 0.00 0.00 177.00 178.19 2dmv h SER 38 N 11.91 0.90 -3.38 6.66 0.87 -2.00 -3.50 113.55 125.01 2dmv h SER 38 Ca -0.32 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.44 2dmv h SER 38 Cb 1.15 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2dmv h SER 38 CO 1.03 1.60 0.00 0.61 -0.53 0.00 0.00 176.83 179.54 2dmv n GLY 39 N 1.28 0.58 3.57 5.77 0.00 -1.26 -5.01 105.19 110.12 2dmv n GLY 39 Ca -0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.78 2.52 -0.05 1.61 0.04 -1.26 -4.88 135.00 131.20 2dmv s PRO 40 Ca 0.00 -0.83 -0.11 0.00 0.04 0.00 0.00 61.00 60.10 2dmv s PRO 40 Cb 0.00 -5.17 0.02 0.00 0.04 0.00 0.00 34.50 29.39 2dmv s PRO 40 CO 0.00 -3.75 0.26 -1.12 0.04 0.00 0.00 177.00 172.43 2dmv s SER 41 N 7.08 -0.19 0.23 6.66 0.01 -1.26 -5.05 113.70 121.19 2dmv s SER 41 Ca 0.69 0.23 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 2dmv s SER 41 Cb -0.03 0.40 0.35 0.00 0.21 0.00 0.00 66.02 66.95 2dmv s SER 41 CO 0.08 -0.28 1.79 -1.28 0.41 0.00 0.00 173.24 173.95 2dmv h SER 42 N 4.72 0.53 0.00 2.44 0.87 -2.06 -3.52 113.55 116.53 2dmv h SER 42 Ca -0.28 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dmv h SER 42 Cb 1.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2dmv h SER 42 CO 0.37 0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.58