#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 5.24 0.04 1.61 1.04 -1.26 -5.12 113.70 115.25 2dmv s SER 2 Ca 0.00 0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.65 2dmv s SER 2 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.60 2dmv s SER 2 CO 0.00 0.37 -0.23 -0.55 0.98 0.00 0.00 173.24 173.81 2dmv s SER 3 N -0.84 2.81 0.00 7.02 0.15 -1.26 -5.05 113.70 116.53 2dmv s SER 3 Ca 0.13 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dmv s SER 3 Cb -0.11 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2dmv s SER 3 CO 0.02 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2dmv n GLY 4 N 1.87 -1.80 2.91 9.45 0.00 -1.26 -4.88 105.19 111.49 2dmv n GLY 4 Ca -0.17 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 2dmv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmv n SER 5 N -0.61 5.65 -2.28 1.61 2.88 -1.26 -4.71 113.62 114.91 2dmv n SER 5 Ca 0.00 -3.38 -0.18 0.00 -1.33 0.00 0.00 58.87 53.99 2dmv n SER 5 Cb 0.00 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.31 2dmv n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmv n SER 6 N 1.38 -5.05 0.00 -3.46 7.64 -1.26 -3.93 113.62 108.93 2dmv n SER 6 Ca 0.26 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2dmv n SER 6 Cb 0.35 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 2dmv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmv n GLY 7 N -0.84 0.96 3.19 0.23 0.00 -1.26 -4.96 105.19 102.51 2dmv n GLY 7 Ca -0.20 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 1.44 0.96 0.99 1.43 -1.25 -5.01 118.68 117.24 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 0.97 0.17 0.00 0.03 0.00 0.00 46.19 47.36 2dmv s LEU 8 CO 0.00 -0.65 1.09 -2.16 0.23 0.00 0.00 176.35 174.86 2dmv s PRO 9 N -3.30 0.70 -0.32 1.29 0.04 -1.26 -4.94 135.00 127.21 2dmv s PRO 9 Ca 0.01 0.63 -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 -2.57 1.68 -1.25 0.04 0.00 0.00 177.00 174.82 2dmv s PRO 10 N -4.95 3.49 0.00 0.56 0.04 -1.26 -2.65 135.00 130.23 2dmv s PRO 10 Ca 0.65 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dmv s PRO 10 Cb -0.18 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dmv s PRO 10 CO 0.57 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2dmv n GLY 11 N 5.18 1.57 3.75 0.56 0.00 -1.26 -5.11 105.19 109.89 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 -1.65 3.25 0.39 1.61 0.52 -1.08 -2.91 118.94 119.07 2dmv s TRP 12 Ca 0.00 0.21 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 0.53 0.31 -2.00 0.02 0.00 0.00 176.95 175.82 2dmv s GLU 13 N -1.46 2.51 -0.13 4.98 2.56 0.20 -4.81 118.70 122.54 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 -2.32 0.03 0.00 2.00 0.00 0.00 34.13 33.72 2dmv s GLU 13 CO 0.10 -0.10 -0.08 -1.14 -0.56 0.00 0.00 175.26 173.47 2dmv s GLN 14 N -4.05 1.67 0.24 4.30 0.74 -1.26 -2.18 119.66 119.12 2dmv s GLN 14 Ca 0.45 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.45 2dmv s GLN 14 Cb -0.03 -1.79 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 2dmv s GLN 14 CO 0.26 -0.30 0.26 1.03 -0.55 0.00 0.00 175.29 175.99 2dmv s ARG 15 N 1.64 1.40 0.06 1.67 0.52 -0.45 -5.01 118.95 118.78 2dmv s ARG 15 Ca 0.04 -1.60 0.04 0.00 -0.52 0.00 0.00 55.73 53.69 2dmv s ARG 15 Cb -0.13 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 2dmv s ARG 15 CO -0.09 -0.51 -0.11 0.08 0.02 0.00 0.00 175.30 174.69 2dmv s VAL 16 N -3.95 0.85 0.72 3.52 1.01 -1.26 -0.54 120.40 120.75 2dmv s VAL 16 Ca 0.35 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2dmv s VAL 16 Cb 0.04 -0.86 0.14 0.00 0.00 0.00 0.00 36.38 35.71 2dmv s VAL 16 CO 0.14 -0.29 0.98 -0.67 0.00 0.00 0.00 175.10 175.27 2dmv n ASP 17 N 1.39 1.26 0.00 3.32 2.03 -1.22 -4.97 116.55 118.37 2dmv n ASP 17 Ca -0.22 -2.08 0.13 0.00 0.52 0.00 0.00 54.79 53.14 2dmv n ASP 17 Cb 0.54 -0.64 0.70 0.00 -0.72 0.00 0.00 41.12 41.00 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 -2.83 0.52 0.00 -0.67 10.64 -1.26 -2.80 117.38 120.99 2dmv n GLN 18 Ca 0.16 0.03 0.03 0.00 -1.83 0.00 0.00 57.00 55.38 2dmv n GLN 18 Cb 0.57 -1.50 -0.11 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 -1.19 0.53 0.00 2.61 8.25 -1.26 -4.98 115.22 119.17 2dmv n HIS 19 Ca 0.15 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2dmv n HIS 19 Cb 0.17 -0.90 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 1.40 1.13 3.46 -1.41 0.00 -1.12 -5.07 105.19 103.58 2dmv n GLY 20 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.69 3.06 0.34 1.61 0.52 -1.26 -4.90 118.95 117.63 2dmv s ARG 21 Ca 0.00 -0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 54.03 2dmv s ARG 21 Cb 0.00 -4.01 -0.11 0.00 0.52 0.00 0.00 34.95 31.35 2dmv s ARG 21 CO 0.00 -0.90 1.53 0.08 0.02 0.00 0.00 175.30 176.03 2dmv s VAL 22 N 2.06 2.08 -0.05 3.52 1.01 -1.26 -3.38 120.40 124.38 2dmv s VAL 22 Ca 0.10 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 2dmv s VAL 22 Cb -0.19 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2dmv s VAL 22 CO 0.12 0.01 0.21 -0.72 0.00 0.00 0.00 175.10 174.72 2dmv s TYR 23 N -0.60 -0.15 0.17 5.22 -0.85 0.30 -4.35 117.35 117.09 2dmv s TYR 23 Ca 0.57 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 57.45 2dmv s TYR 23 Cb -0.47 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 2dmv s TYR 23 CO 0.56 -0.20 0.35 0.71 -1.52 0.00 0.00 175.55 175.45 2dmv s TYR 24 N -0.53 3.49 -0.11 -3.49 2.02 0.10 -1.35 117.35 117.48 2dmv s TYR 24 Ca -0.06 0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 2dmv s TYR 24 Cb -0.04 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2dmv s TYR 24 CO 0.01 0.43 -0.06 0.08 -1.57 0.00 0.00 175.55 174.44 2dmv s VAL 25 N -1.79 0.90 -0.21 0.71 1.01 -0.93 -2.43 120.40 117.66 2dmv s VAL 25 Ca 0.38 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2dmv s VAL 25 Cb -0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2dmv s VAL 25 CO 0.28 0.33 0.67 -0.62 0.00 0.00 0.00 175.10 175.76 2dmv s ASP 26 N 1.76 6.70 0.00 3.32 -1.08 -1.01 -0.63 116.67 125.73 2dmv s ASP 26 Ca 0.05 0.86 0.30 0.00 -0.52 0.00 0.00 52.55 53.24 2dmv s ASP 26 Cb -0.13 -2.36 1.51 0.00 -1.46 0.00 0.00 42.92 40.47 2dmv s ASP 26 CO -0.08 -0.33 2.01 1.41 0.52 0.00 0.00 175.17 178.70 2dmv n HIS 27 N 5.31 0.00 -0.12 -5.34 8.25 -1.15 -0.10 115.22 122.08 2dmv n HIS 27 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2dmv n HIS 27 Cb 0.49 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.81 1.35 0.02 1.59 0.31 -1.26 -4.61 118.33 114.91 2dmv n VAL 28 Ca 0.19 -0.50 0.10 0.00 -0.01 0.00 0.00 64.34 64.12 2dmv n VAL 28 Cb 0.22 -1.37 -0.15 0.00 -0.91 0.00 0.00 33.84 31.63 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 -3.25 0.60 -3.06 5.55 4.71 -1.24 -5.02 120.64 118.92 2dmv n GLU 29 Ca -0.42 -0.17 -0.13 0.00 -0.01 0.00 0.00 57.16 56.42 2dmv n GLU 29 Cb 0.93 -1.47 0.07 0.00 -1.01 0.00 0.00 31.44 29.96 2dmv n GLU 29 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2dmv n LYS 30 N -2.16 -3.79 -4.26 3.49 4.76 0.86 -5.03 118.16 112.02 2dmv n LYS 30 Ca -0.03 0.70 -0.22 0.00 -2.87 0.00 0.00 58.31 55.89 2dmv n LYS 30 Cb 0.51 -5.15 -0.12 0.00 -1.84 0.00 0.00 35.03 28.42 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 -4.67 1.02 -0.11 1.97 1.70 -1.23 -4.95 118.95 112.69 2dmv s ARG 31 Ca 0.17 -1.06 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 2dmv s ARG 31 Cb -0.02 -1.18 -0.00 0.00 -0.57 0.00 0.00 34.95 33.18 2dmv s ARG 31 CO 0.60 0.27 -0.21 0.95 -1.08 0.00 0.00 175.30 175.83 2dmv s THR 32 N -1.17 2.32 -0.07 4.99 -4.23 -1.26 -2.41 115.64 113.81 2dmv s THR 32 Ca 0.03 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2dmv s THR 32 Cb -0.10 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.84 2dmv s THR 32 CO 0.03 0.55 0.18 0.28 -0.54 0.00 0.00 174.62 175.12 2dmv s THR 33 N 0.36 -0.00 0.08 3.99 -1.32 -1.02 -5.00 115.64 112.73 2dmv s THR 33 Ca -0.16 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 2dmv s THR 33 Cb -0.17 -0.26 0.11 0.00 -1.51 0.00 0.00 72.50 70.67 2dmv s THR 33 CO 0.08 0.00 1.64 -0.50 -2.21 0.00 0.00 174.62 173.63 2dmv h TRP 34 N 5.87 0.00 -5.20 9.09 4.06 -1.88 0.29 115.95 128.18 2dmv h TRP 34 Ca -0.25 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.33 2dmv h TRP 34 Cb 1.20 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.33 2dmv h TRP 34 CO 0.40 0.43 -0.17 -0.25 -3.56 0.00 0.00 178.44 175.29 2dmv n ASP 35 N -3.44 2.11 -4.76 -3.49 8.00 -1.26 -4.28 116.55 109.43 2dmv n ASP 35 Ca 0.00 -2.21 -0.31 0.00 0.71 0.00 0.00 54.79 52.99 2dmv n ASP 35 Cb 0.58 -0.03 0.10 0.00 -0.02 0.00 0.00 41.12 41.75 2dmv n ASP 35 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dmv s ARG 36 N -3.45 2.10 -0.39 -1.24 0.52 -1.26 -4.62 118.95 110.61 2dmv s ARG 36 Ca 0.20 1.16 -0.28 0.00 -0.52 0.00 0.00 55.73 56.29 2dmv s ARG 36 Cb -0.02 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 2dmv s ARG 36 CO 0.13 -1.75 1.72 -1.25 0.02 0.00 0.00 175.30 174.17 2dmv s PRO 37 N -4.89 3.28 -0.43 3.54 0.04 -1.26 -4.96 135.00 130.31 2dmv s PRO 37 Ca 0.62 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 2dmv s PRO 37 Cb -0.17 -4.19 0.11 0.00 0.04 0.00 0.00 34.50 30.29 2dmv s PRO 37 CO 0.56 -1.93 0.26 0.45 0.04 0.00 0.00 177.00 176.39 2dmv s SER 38 N 5.92 5.44 0.13 6.66 0.15 -1.26 -5.04 113.70 125.70 2dmv s SER 38 Ca 0.74 -1.97 -0.25 0.00 0.70 0.00 0.00 55.95 55.16 2dmv s SER 38 Cb -0.19 -1.90 0.07 0.00 -1.71 0.00 0.00 66.02 62.29 2dmv s SER 38 CO 0.31 -0.60 1.02 -0.83 1.20 0.00 0.00 173.24 174.34 2dmv s GLY 39 N 2.16 -0.22 -0.85 9.45 0.00 -1.26 -5.09 107.32 111.52 2dmv s GLY 39 Ca 0.07 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.69 2dmv s GLY 39 CO -0.03 0.27 1.93 2.56 0.00 0.00 0.00 173.10 177.83 2dmv s PRO 40 N -3.04 2.58 -0.49 2.90 0.04 -1.26 -4.82 135.00 130.90 2dmv s PRO 40 Ca 0.14 -0.13 0.08 0.00 0.04 0.00 0.00 61.00 61.13 2dmv s PRO 40 Cb -0.01 -4.94 0.31 0.00 0.04 0.00 0.00 34.50 29.91 2dmv s PRO 40 CO 0.02 -3.25 0.78 -1.13 0.04 0.00 0.00 177.00 173.46 2dmv n SER 41 N 13.70 2.53 -3.83 6.66 3.41 -1.26 -5.05 113.62 129.78 2dmv n SER 41 Ca 0.36 -3.28 -0.21 0.00 -0.26 0.00 0.00 58.87 55.48 2dmv n SER 41 Cb 0.48 -0.61 -0.17 0.00 -0.26 0.00 0.00 64.21 63.65 2dmv n SER 41 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmv s SER 42 N -2.63 1.24 0.00 4.04 0.15 -1.26 -5.26 113.70 109.99 2dmv s SER 42 Ca 0.42 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2dmv s SER 42 Cb 0.26 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2dmv s SER 42 CO -0.09 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.83