#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 7.00 -4.63 1.61 3.41 -1.26 -5.01 113.62 114.74 2dmv n SER 2 Ca 0.00 -3.32 -0.46 0.00 -0.26 0.00 0.00 58.87 54.84 2dmv n SER 2 Cb 0.00 -1.32 -0.03 0.00 -0.26 0.00 0.00 64.21 62.60 2dmv n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dmv n SER 3 N 1.67 2.16 -4.67 4.04 7.64 -1.26 -4.98 113.62 118.22 2dmv n SER 3 Ca 0.48 1.15 -0.32 0.00 1.01 0.00 0.00 58.87 61.19 2dmv n SER 3 Cb 0.29 -1.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.05 2dmv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmv s GLY 4 N 0.07 1.87 0.00 0.23 0.00 -1.26 -5.00 107.32 103.23 2dmv s GLY 4 Ca 0.68 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2dmv s GLY 4 CO 0.52 -0.91 0.00 -1.14 0.00 0.00 0.00 173.10 171.57 2dmv n SER 5 N 1.17 0.78 -3.81 1.64 3.41 -1.26 -5.11 113.62 110.45 2dmv n SER 5 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.35 2dmv n SER 5 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2dmv n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmv s SER 6 N -4.46 -0.16 0.00 4.04 0.01 -1.26 -5.14 113.70 106.72 2dmv s SER 6 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dmv s SER 6 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dmv s SER 6 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2dmv n GLY 7 N 2.38 1.85 3.21 3.44 0.00 -1.26 -5.09 105.19 109.72 2dmv n GLY 7 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.27 0.96 0.99 1.43 -1.26 -5.16 118.68 116.91 2dmv s LEU 8 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2dmv s LEU 8 Cb 0.00 1.11 0.17 0.00 0.03 0.00 0.00 46.19 47.49 2dmv s LEU 8 CO 0.00 -0.67 1.09 -2.16 0.23 0.00 0.00 176.35 174.84 2dmv s PRO 9 N -3.30 0.73 -0.33 1.29 0.04 -1.26 -4.94 135.00 127.22 2dmv s PRO 9 Ca 0.01 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 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 -2.56 1.69 -1.25 0.04 0.00 0.00 177.00 174.84 2dmv s PRO 10 N -4.94 3.44 0.00 0.56 0.04 -1.26 -2.64 135.00 130.20 2dmv s PRO 10 Ca 0.65 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dmv s PRO 10 Cb -0.18 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2dmv s PRO 10 CO 0.57 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 176.30 2dmv n GLY 11 N 5.27 1.38 3.68 0.56 0.00 -1.26 -5.12 105.19 109.70 2dmv n GLY 11 Ca 0.21 0.00 -0.33 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 -1.62 3.08 0.41 1.61 0.52 -1.08 -3.19 118.94 118.67 2dmv s TRP 12 Ca 0.00 0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.30 2dmv s TRP 12 Cb 0.00 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2dmv s TRP 12 CO 0.00 0.46 0.32 -2.00 0.02 0.00 0.00 176.95 175.75 2dmv s GLU 13 N -1.38 2.48 -0.13 4.98 2.56 -0.25 -4.82 118.70 122.14 2dmv s GLU 13 Ca 0.18 -1.58 -0.01 0.00 0.00 0.00 0.00 54.97 53.56 2dmv s GLU 13 Cb -0.11 -2.30 0.03 0.00 2.00 0.00 0.00 34.13 33.75 2dmv s GLU 13 CO 0.08 -0.14 -0.06 -1.14 -0.56 0.00 0.00 175.26 173.44 2dmv s GLN 14 N -4.06 1.41 0.21 4.30 0.74 -1.26 -2.27 119.66 118.72 2dmv s GLN 14 Ca 0.46 -0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 2dmv s GLN 14 Cb -0.02 -1.72 -0.03 0.00 1.10 0.00 0.00 33.01 32.34 2dmv s GLN 14 CO 0.27 -0.34 0.19 1.03 -0.55 0.00 0.00 175.29 175.88 2dmv s ARG 15 N 1.70 1.26 0.05 1.67 0.52 -0.26 -5.00 118.95 118.89 2dmv s ARG 15 Ca 0.03 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 53.71 2dmv s ARG 15 Cb -0.14 0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 2dmv s ARG 15 CO -0.08 -0.43 -0.09 0.08 0.02 0.00 0.00 175.30 174.80 2dmv s VAL 16 N -4.13 0.69 0.36 3.52 1.01 -1.26 -0.52 120.40 120.06 2dmv s VAL 16 Ca 0.36 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2dmv s VAL 16 Cb 0.06 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2dmv s VAL 16 CO 0.11 -0.36 0.49 -0.90 0.00 0.00 0.00 175.10 174.44 2dmv n ASP 17 N 1.36 0.67 -0.07 3.32 5.75 -1.24 -4.97 116.55 121.36 2dmv n ASP 17 Ca -0.22 -1.56 0.14 0.00 -0.01 0.00 0.00 54.79 53.13 2dmv n ASP 17 Cb 0.55 -0.32 0.77 0.00 -1.03 0.00 0.00 41.12 41.09 2dmv n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dmv n GLN 18 N -1.91 1.09 -0.05 0.11 10.64 -1.26 -3.17 117.38 122.83 2dmv n GLN 18 Ca 0.08 -0.13 -0.02 0.00 -1.83 0.00 0.00 57.00 55.10 2dmv n GLN 18 Cb 0.29 -1.43 -0.15 0.00 -0.86 0.00 0.00 30.24 28.09 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 -0.78 0.16 0.00 2.61 8.25 -1.26 -4.99 115.22 119.21 2dmv n HIS 19 Ca 0.20 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2dmv n HIS 19 Cb 0.13 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.38 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 1.54 1.19 3.39 -1.41 0.00 -1.19 -5.08 105.19 103.64 2dmv n GLY 20 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.36 2.94 0.34 1.61 0.52 -1.26 -4.93 118.95 117.81 2dmv s ARG 21 Ca 0.00 -1.28 -0.29 0.00 -0.52 0.00 0.00 55.73 53.64 2dmv s ARG 21 Cb 0.00 -4.05 -0.11 0.00 0.52 0.00 0.00 34.95 31.30 2dmv s ARG 21 CO 0.00 -0.95 1.53 0.28 0.02 0.00 0.00 175.30 176.18 2dmv n VAL 22 N 5.16 1.62 -3.79 3.52 0.31 -1.26 -3.68 118.33 120.21 2dmv n VAL 22 Ca -0.12 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 2dmv n VAL 22 Cb 0.44 -1.97 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 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 -0.68 -0.18 0.11 3.52 -0.85 0.32 -4.37 117.35 115.22 2dmv s TYR 23 Ca 0.57 0.37 -0.00 0.00 -0.52 0.00 0.00 57.07 57.49 2dmv s TYR 23 Cb -0.48 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 2dmv s TYR 23 CO 0.58 -0.27 0.27 0.71 -1.52 0.00 0.00 175.55 175.32 2dmv s TYR 24 N -0.76 3.50 -0.14 -3.49 2.02 0.95 -1.10 117.35 118.34 2dmv s TYR 24 Ca -0.08 0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 2dmv s TYR 24 Cb -0.04 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 2dmv s TYR 24 CO 0.02 0.53 -0.08 0.08 -1.57 0.00 0.00 175.55 174.52 2dmv s VAL 25 N -1.62 1.17 -0.31 0.71 1.01 -0.96 -2.39 120.40 118.01 2dmv s VAL 25 Ca 0.36 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 2dmv s VAL 25 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2dmv s VAL 25 CO 0.28 0.32 0.82 -0.62 0.00 0.00 0.00 175.10 175.90 2dmv s ASP 26 N 1.64 6.69 0.00 3.32 2.15 -1.00 -1.09 116.67 128.38 2dmv s ASP 26 Ca 0.04 0.70 0.23 0.00 0.43 0.00 0.00 52.55 53.95 2dmv s ASP 26 Cb -0.13 -2.42 1.06 0.00 -0.30 0.00 0.00 42.92 41.12 2dmv s ASP 26 CO -0.09 -0.65 1.74 1.41 -0.17 0.00 0.00 175.17 177.41 2dmv n HIS 27 N 6.29 0.00 -0.12 -5.34 8.25 -1.19 -0.10 115.22 123.01 2dmv n HIS 27 Ca 0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.25 2dmv n HIS 27 Cb 0.48 -0.41 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.41 1.39 0.15 1.59 0.31 -1.26 -4.58 118.33 114.52 2dmv n VAL 28 Ca 0.08 -0.30 0.06 0.00 -0.01 0.00 0.00 64.34 64.16 2dmv n VAL 28 Cb 0.23 -1.88 0.05 0.00 -0.91 0.00 0.00 33.84 31.32 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 5.08 -1.93 -3.48 114.58 113.89 2dmv h GLU 29 Ca -0.58 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.54 2dmv h GLU 29 Cb 1.50 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.90 2dmv h GLU 29 CO -0.35 0.30 -0.67 1.63 -1.00 0.00 0.00 179.01 178.92 2dmv n LYS 30 N -3.10 -3.75 -4.14 2.33 4.76 0.86 -5.03 118.16 110.08 2dmv n LYS 30 Ca 0.01 0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 56.03 2dmv n LYS 30 Cb 0.68 -5.18 -0.11 0.00 -1.84 0.00 0.00 35.03 28.58 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 -4.66 0.75 -0.08 1.97 1.70 -1.23 -4.97 118.95 112.44 2dmv s ARG 31 Ca 0.18 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.40 2dmv s ARG 31 Cb -0.02 -0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 33.97 2dmv s ARG 31 CO 0.60 0.05 -0.23 0.95 -1.08 0.00 0.00 175.30 175.59 2dmv s THR 32 N -2.43 1.95 -0.07 4.99 -4.23 -1.26 -2.37 115.64 112.22 2dmv s THR 32 Ca 0.03 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2dmv s THR 32 Cb -0.03 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.15 2dmv s THR 32 CO -0.01 0.54 0.18 0.28 -0.54 0.00 0.00 174.62 175.07 2dmv s THR 33 N 0.21 -0.00 0.00 3.99 -1.32 -1.00 -5.00 115.64 112.51 2dmv s THR 33 Ca -0.14 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.59 2dmv s THR 33 Cb -0.16 -0.26 0.23 0.00 -1.51 0.00 0.00 72.50 70.80 2dmv s THR 33 CO 0.07 0.00 1.74 -0.50 -2.21 0.00 0.00 174.62 173.72 2dmv h TRP 34 N 5.93 0.00 -0.37 9.09 4.06 -1.88 0.27 115.95 133.05 2dmv h TRP 34 Ca -0.26 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.04 2dmv h TRP 34 Cb 1.19 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.25 2dmv h TRP 34 CO 0.40 0.22 -0.43 -0.51 -3.56 0.00 0.00 178.44 174.57 2dmv s ASP 35 N -6.19 4.32 0.91 -3.49 1.01 -1.26 -4.26 116.67 107.71 2dmv s ASP 35 Ca 0.02 -1.52 -0.10 0.00 0.71 0.00 0.00 52.55 51.66 2dmv s ASP 35 Cb 0.09 0.53 0.14 0.00 1.01 0.00 0.00 42.92 44.69 2dmv s ASP 35 CO 0.65 -0.97 1.14 -0.13 0.21 0.00 0.00 175.17 176.07 2dmv s ARG 36 N -4.04 1.09 -0.16 8.23 0.52 -1.26 -4.65 118.95 118.69 2dmv s ARG 36 Ca 0.15 1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 56.56 2dmv s ARG 36 Cb -0.00 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 2dmv s ARG 36 CO 0.09 -2.56 1.57 -1.25 0.02 0.00 0.00 175.30 173.16 2dmv s PRO 37 N -4.67 4.00 -0.17 3.54 0.04 -1.26 -5.00 135.00 131.48 2dmv s PRO 37 Ca 0.66 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 2dmv s PRO 37 Cb -0.22 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.34 2dmv s PRO 37 CO 0.58 -1.04 -0.13 0.45 0.04 0.00 0.00 177.00 176.89 2dmv s SER 38 N 3.54 3.76 0.28 6.66 0.15 -1.26 -5.10 113.70 121.73 2dmv s SER 38 Ca 0.69 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.86 2dmv s SER 38 Cb -0.27 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2dmv s SER 38 CO 0.27 0.06 0.42 0.61 1.20 0.00 0.00 173.24 175.80 2dmv n GLY 39 N 4.20 2.19 3.77 9.45 0.00 -1.26 -5.15 105.19 118.38 2dmv n GLY 39 Ca -0.19 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.57 4.24 0.21 1.61 0.04 -1.26 -4.95 135.00 132.32 2dmv s PRO 40 Ca 0.22 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.27 2dmv s PRO 40 Cb -0.01 -2.89 0.15 0.00 0.04 0.00 0.00 34.50 31.79 2dmv s PRO 40 CO 0.16 -0.20 1.49 0.66 0.04 0.00 0.00 177.00 179.15 2dmv h SER 41 N 3.07 0.24 -3.87 6.66 4.64 -2.05 -3.45 113.55 118.79 2dmv h SER 41 Ca -0.48 -0.16 -0.44 0.00 -0.47 0.00 0.00 61.79 60.24 2dmv h SER 41 Cb 1.23 -0.07 0.18 0.00 -0.31 0.00 0.00 62.40 63.43 2dmv h SER 41 CO 0.64 0.87 0.43 -1.54 -0.87 0.00 0.00 176.83 176.36 2dmv n SER 42 N -3.77 0.08 0.00 4.97 3.41 -1.26 -5.35 113.62 111.69 2dmv n SER 42 Ca -0.03 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2dmv n SER 42 Cb 0.70 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2dmv n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49