#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 7.28 -3.85 1.61 7.64 -1.26 -4.93 113.62 120.12 2dmv n SER 2 Ca 0.00 -3.31 -0.14 0.00 1.01 0.00 0.00 58.87 56.42 2dmv n SER 2 Cb 0.00 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 61.80 2dmv n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmv s SER 3 N -0.24 0.67 0.00 6.43 0.01 -1.26 -5.06 113.70 114.25 2dmv s SER 3 Ca 0.46 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2dmv s SER 3 Cb 0.16 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2dmv s SER 3 CO -0.07 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2dmv n GLY 4 N -0.41 -0.10 2.84 3.44 0.00 -1.26 -5.07 105.19 104.62 2dmv n GLY 4 Ca 0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2dmv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmv s SER 5 N -1.65 4.05 -0.04 1.61 1.04 -1.26 -5.09 113.70 112.37 2dmv s SER 5 Ca 0.00 -2.69 0.05 0.00 0.48 0.00 0.00 55.95 53.79 2dmv s SER 5 Cb 0.00 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.78 2dmv s SER 5 CO 0.00 -0.27 -0.19 -0.44 0.98 0.00 0.00 173.24 173.32 2dmv s SER 6 N 0.20 2.39 0.67 7.02 0.01 -1.26 -5.08 113.70 117.65 2dmv s SER 6 Ca 0.16 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2dmv s SER 6 Cb -0.24 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dmv s SER 6 CO -0.02 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dmv n GLY 7 N 3.01 0.68 3.17 3.44 0.00 -1.26 -4.91 105.19 109.31 2dmv n GLY 7 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 1.61 0.97 0.99 1.43 -1.26 -5.14 118.68 117.27 2dmv s LEU 8 Ca 0.00 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2dmv s LEU 8 Cb 0.00 0.84 0.17 0.00 0.03 0.00 0.00 46.19 47.23 2dmv s LEU 8 CO 0.00 -0.64 1.09 -2.16 0.23 0.00 0.00 176.35 174.87 2dmv s PRO 9 N -3.37 0.68 -0.37 1.29 0.04 -1.26 -4.94 135.00 127.07 2dmv s PRO 9 Ca 0.01 0.62 -0.28 0.00 0.04 0.00 0.00 61.00 61.39 2dmv s PRO 9 Cb 0.03 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 2dmv s PRO 9 CO -0.08 -2.58 1.71 -1.25 0.04 0.00 0.00 177.00 174.84 2dmv s PRO 10 N -4.95 3.33 0.00 0.56 0.04 -1.26 -2.56 135.00 130.16 2dmv s PRO 10 Ca 0.65 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2dmv s PRO 10 Cb -0.18 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2dmv s PRO 10 CO 0.57 -1.86 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2dmv n GLY 11 N 5.36 1.68 3.76 0.56 0.00 -1.26 -5.11 105.19 110.18 2dmv n GLY 11 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.66 3.26 0.39 1.61 0.52 -1.06 -3.05 118.94 118.96 2dmv s TRP 12 Ca 0.00 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.41 2dmv s TRP 12 Cb 0.00 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2dmv s TRP 12 CO 0.00 0.54 0.31 -2.00 0.02 0.00 0.00 176.95 175.82 2dmv s GLU 13 N -1.51 2.50 -0.13 4.98 2.56 0.27 -4.76 118.70 122.61 2dmv s GLU 13 Ca 0.20 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.63 2dmv s GLU 13 Cb -0.12 -2.31 0.03 0.00 2.00 0.00 0.00 34.13 33.72 2dmv s GLU 13 CO 0.11 -0.09 -0.09 -1.14 -0.56 0.00 0.00 175.26 173.49 2dmv s GLN 14 N -4.04 1.67 0.23 4.30 0.74 -1.26 -2.10 119.66 119.20 2dmv s GLN 14 Ca 0.45 -0.34 -0.03 0.00 0.05 0.00 0.00 55.36 55.48 2dmv s GLN 14 Cb -0.03 -1.73 -0.03 0.00 1.10 0.00 0.00 33.01 32.33 2dmv s GLN 14 CO 0.26 -0.28 0.25 1.03 -0.55 0.00 0.00 175.29 176.01 2dmv s ARG 15 N 1.66 1.38 0.06 1.67 0.52 -0.53 -5.00 118.95 118.70 2dmv s ARG 15 Ca 0.05 -1.58 0.04 0.00 -0.52 0.00 0.00 55.73 53.71 2dmv s ARG 15 Cb -0.13 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 2dmv s ARG 15 CO -0.09 -0.50 -0.11 0.08 0.02 0.00 0.00 175.30 174.70 2dmv s VAL 16 N -3.99 0.85 0.65 3.52 1.01 -1.26 -0.80 120.40 120.37 2dmv s VAL 16 Ca 0.35 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2dmv s VAL 16 Cb 0.04 -0.86 0.13 0.00 0.00 0.00 0.00 36.38 35.69 2dmv s VAL 16 CO 0.13 -0.30 0.89 -0.67 0.00 0.00 0.00 175.10 175.15 2dmv n ASP 17 N 1.36 1.23 0.00 3.32 2.03 -1.23 -4.97 116.55 118.29 2dmv n ASP 17 Ca -0.22 -2.03 0.14 0.00 0.52 0.00 0.00 54.79 53.20 2dmv n ASP 17 Cb 0.54 -0.58 0.76 0.00 -0.72 0.00 0.00 41.12 41.13 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 -2.65 0.64 -0.02 -0.67 10.64 -1.26 -2.88 117.38 121.18 2dmv n GLN 18 Ca 0.15 0.02 0.01 0.00 -1.83 0.00 0.00 57.00 55.34 2dmv n GLN 18 Cb 0.53 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.28 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 -1.14 0.39 0.00 2.61 8.25 -1.26 -4.99 115.22 119.08 2dmv n HIS 19 Ca 0.17 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2dmv n HIS 19 Cb 0.16 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.39 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 1.45 1.17 3.44 -1.41 0.00 -1.14 -5.08 105.19 103.62 2dmv n GLY 20 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.45 2.99 0.32 1.61 0.52 -1.26 -4.91 118.95 117.77 2dmv s ARG 21 Ca 0.00 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.81 2dmv s ARG 21 Cb 0.00 -4.04 -0.11 0.00 0.52 0.00 0.00 34.95 31.32 2dmv s ARG 21 CO 0.00 -0.88 1.56 0.08 0.02 0.00 0.00 175.30 176.09 2dmv s VAL 22 N 1.75 2.05 -0.05 3.52 1.01 -1.26 -3.49 120.40 123.92 2dmv s VAL 22 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2dmv s VAL 22 Cb -0.21 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2dmv s VAL 22 CO 0.09 0.01 0.20 -0.72 0.00 0.00 0.00 175.10 174.68 2dmv s TYR 23 N -0.35 -0.14 0.17 5.22 -0.85 0.02 -4.37 117.35 117.04 2dmv s TYR 23 Ca 0.60 0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 57.46 2dmv s TYR 23 Cb -0.48 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 41.86 2dmv s TYR 23 CO 0.53 -0.19 0.37 0.71 -1.52 0.00 0.00 175.55 175.45 2dmv s TYR 24 N -0.46 3.48 -0.12 -3.49 2.02 0.86 -1.46 117.35 118.20 2dmv s TYR 24 Ca -0.06 0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 57.02 2dmv s TYR 24 Cb -0.04 -1.88 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 2dmv s TYR 24 CO 0.01 0.42 -0.06 0.08 -1.57 0.00 0.00 175.55 174.43 2dmv s VAL 25 N -1.77 0.96 -0.32 0.71 1.01 -0.89 -2.37 120.40 117.72 2dmv s VAL 25 Ca 0.39 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 2dmv s VAL 25 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2dmv s VAL 25 CO 0.28 0.31 0.74 -0.62 0.00 0.00 0.00 175.10 175.81 2dmv s ASP 26 N 1.73 6.59 0.00 3.32 2.15 -1.03 -0.57 116.67 128.86 2dmv s ASP 26 Ca 0.04 0.52 0.22 0.00 0.43 0.00 0.00 52.55 53.76 2dmv s ASP 26 Cb -0.13 -2.38 1.01 0.00 -0.30 0.00 0.00 42.92 41.12 2dmv s ASP 26 CO -0.08 -0.60 1.69 1.41 -0.17 0.00 0.00 175.17 177.42 2dmv n HIS 27 N 6.16 0.00 -0.12 -5.34 8.25 -1.17 -0.09 115.22 122.90 2dmv n HIS 27 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 2dmv n HIS 27 Cb 0.48 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.38 1.38 0.15 1.59 0.31 -1.26 -4.57 118.33 114.54 2dmv n VAL 28 Ca 0.08 -0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.12 2dmv n VAL 28 Cb 0.21 -1.85 0.05 0.00 -0.91 0.00 0.00 33.84 31.34 2dmv n VAL 28 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2dmv h GLU 29 N -0.90 0.00 -5.01 5.55 4.39 -1.92 -3.48 114.58 113.20 2dmv h GLU 29 Ca -0.62 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 58.84 2dmv h GLU 29 Cb 1.54 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 30.35 2dmv h GLU 29 CO -0.38 0.32 -0.67 1.17 -1.16 0.00 0.00 179.01 178.29 2dmv n LYS 30 N -3.13 -3.69 -4.11 2.33 3.00 0.87 -5.03 118.16 108.41 2dmv n LYS 30 Ca 0.01 0.71 -0.11 0.00 -0.00 0.00 0.00 58.31 58.92 2dmv n LYS 30 Cb 0.68 -5.18 -0.11 0.00 0.00 0.00 0.00 35.03 30.43 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 -4.64 0.65 -0.07 1.64 1.70 -1.23 -4.98 118.95 112.02 2dmv s ARG 31 Ca 0.19 -1.06 0.05 0.00 -0.47 0.00 0.00 55.73 54.43 2dmv s ARG 31 Cb -0.02 -0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.21 2dmv s ARG 31 CO 0.61 -0.01 -0.22 0.95 -1.08 0.00 0.00 175.30 175.55 2dmv s THR 32 N -2.71 1.82 -0.07 4.99 -4.23 -1.26 -2.47 115.64 111.71 2dmv s THR 32 Ca 0.01 -0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2dmv s THR 32 Cb -0.01 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.28 2dmv s THR 32 CO -0.03 0.51 0.18 0.28 -0.54 0.00 0.00 174.62 175.01 2dmv s THR 33 N 0.15 0.00 0.23 3.99 -1.32 -1.00 -5.00 115.64 112.69 2dmv s THR 33 Ca -0.10 -0.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.45 2dmv s THR 33 Cb -0.15 -0.26 -0.08 0.00 -1.51 0.00 0.00 72.50 70.50 2dmv s THR 33 CO 0.05 -0.01 1.52 -0.50 -2.21 0.00 0.00 174.62 173.47 2dmv h TRP 34 N 5.83 0.03 -0.63 9.09 4.06 -1.88 0.25 115.95 132.70 2dmv h TRP 34 Ca -0.25 -0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.12 2dmv h TRP 34 Cb 1.20 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.32 2dmv h TRP 34 CO 0.41 0.74 -0.26 0.34 -3.56 0.00 0.00 178.44 176.11 2dmv s ASP 35 N -6.82 4.75 0.70 -3.49 2.15 -1.26 -4.21 116.67 108.48 2dmv s ASP 35 Ca -0.01 -1.15 -0.16 0.00 0.43 0.00 0.00 52.55 51.67 2dmv s ASP 35 Cb 0.12 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 43.14 2dmv s ASP 35 CO 0.78 -1.15 1.19 -0.13 -0.17 0.00 0.00 175.17 175.69 2dmv s ARG 36 N -4.37 2.37 0.38 4.34 0.52 -1.26 -4.67 118.95 116.25 2dmv s ARG 36 Ca 0.41 1.72 0.28 0.00 -0.52 0.00 0.00 55.73 57.61 2dmv s ARG 36 Cb -0.03 -1.87 1.15 0.00 0.52 0.00 0.00 34.95 34.73 2dmv s ARG 36 CO 0.25 -1.65 1.83 -1.00 0.02 0.00 0.00 175.30 174.75 2dmv h PRO 37 N -0.06 0.00 -0.93 3.54 0.13 -1.99 -3.06 132.00 129.63 2dmv h PRO 37 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 2dmv h PRO 37 Cb 1.29 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.99 2dmv h PRO 37 CO 0.51 0.00 -0.83 0.43 -0.23 0.00 0.00 178.00 177.88 2dmv n SER 38 N -2.58 4.50 -3.44 1.44 7.64 -1.26 -5.06 113.62 114.87 2dmv n SER 38 Ca 0.01 -3.57 -0.14 0.00 1.01 0.00 0.00 58.87 56.18 2dmv n SER 38 Cb 0.25 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2dmv n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmv n GLY 39 N -0.62 3.00 0.45 0.23 0.00 -1.16 -5.14 105.19 101.95 2dmv n GLY 39 Ca 0.39 -2.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.11 -1.29 -4.69 1.61 -0.04 -1.26 -5.04 135.00 123.18 2dmv n PRO 40 Ca -0.02 -0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 62.96 2dmv n PRO 40 Cb 0.32 -0.21 -0.16 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.89 1.94 -0.04 3.54 0.01 -1.26 -5.05 113.70 110.96 2dmv s SER 41 Ca 0.09 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 2dmv s SER 41 Cb -0.01 -0.78 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 2dmv s SER 41 CO 0.07 0.08 -0.05 0.77 0.41 0.00 0.00 173.24 174.52 2dmv h SER 42 N 6.72 0.00 0.00 2.44 4.64 -2.05 -3.57 113.55 121.73 2dmv h SER 42 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2dmv h SER 42 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dmv h SER 42 CO 0.48 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.26