#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 -0.07 -0.22 1.61 1.04 -1.26 -5.15 113.70 109.65 2dmv s SER 2 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.75 2dmv s SER 2 Cb 0.00 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.75 2dmv s SER 2 CO 0.00 -1.06 0.12 -0.55 0.98 0.00 0.00 173.24 172.72 2dmv s SER 3 N -3.17 2.74 0.00 7.02 0.15 -1.26 -4.94 113.70 114.25 2dmv s SER 3 Ca 0.17 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dmv s SER 3 Cb -0.03 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dmv s SER 3 CO 0.05 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dmv n GLY 4 N 5.27 0.17 3.64 9.45 0.00 -1.26 -5.11 105.19 117.36 2dmv n GLY 4 Ca -0.06 -0.22 -0.46 0.00 0.00 0.00 0.00 46.02 45.27 2dmv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmv n SER 5 N 0.00 2.33 -4.57 1.61 7.64 -1.26 -4.85 113.62 114.51 2dmv n SER 5 Ca 0.00 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2dmv n SER 5 Cb 0.00 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 2dmv n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmv s SER 6 N 0.18 5.81 0.78 6.43 0.15 -1.26 -4.99 113.70 120.81 2dmv s SER 6 Ca 0.69 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.73 2dmv s SER 6 Cb -0.71 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.21 2dmv s SER 6 CO 0.51 -1.94 1.08 -0.83 1.20 0.00 0.00 173.24 173.26 2dmv s GLY 7 N 5.88 1.76 0.28 9.45 0.00 -1.26 -5.10 107.32 118.34 2dmv s GLY 7 Ca 0.61 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.69 2dmv s GLY 7 CO 0.24 -1.02 0.47 1.08 0.00 0.00 0.00 173.10 173.87 2dmv s LEU 8 N -5.32 4.14 1.00 0.66 1.43 -1.26 -5.10 118.68 114.22 2dmv s LEU 8 Ca 0.68 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2dmv s LEU 8 Cb -0.05 -3.19 0.19 0.00 0.03 0.00 0.00 46.19 43.17 2dmv s LEU 8 CO 0.46 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 2dmv s PRO 9 N -3.94 0.42 -0.26 1.29 0.04 -1.26 -4.94 135.00 126.34 2dmv s PRO 9 Ca 0.38 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2dmv s PRO 9 Cb -0.10 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dmv s PRO 9 CO 0.32 -2.74 1.64 -1.25 0.04 0.00 0.00 177.00 175.01 2dmv s PRO 10 N -4.96 3.67 0.00 0.56 0.04 -1.26 -2.63 135.00 130.42 2dmv s PRO 10 Ca 0.65 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2dmv s PRO 10 Cb -0.19 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2dmv s PRO 10 CO 0.58 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2dmv n GLY 11 N 4.88 1.47 3.60 0.56 0.00 -1.26 -5.11 105.19 109.33 2dmv n GLY 11 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 2.94 0.40 1.61 0.52 -1.08 -3.00 118.94 118.32 2dmv s TRP 12 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.21 2dmv s TRP 12 Cb 0.00 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.62 2dmv s TRP 12 CO 0.00 0.36 0.32 -2.00 0.02 0.00 0.00 176.95 175.65 2dmv s GLU 13 N -1.10 2.51 -0.14 4.98 2.56 -0.19 -4.77 118.70 122.53 2dmv s GLU 13 Ca 0.15 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.57 2dmv s GLU 13 Cb -0.11 -2.32 0.03 0.00 2.00 0.00 0.00 34.13 33.73 2dmv s GLU 13 CO 0.04 -0.11 -0.07 -1.14 -0.56 0.00 0.00 175.26 173.42 2dmv s GLN 14 N -4.06 1.57 0.23 4.30 0.74 -1.26 -2.38 119.66 118.80 2dmv s GLN 14 Ca 0.45 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 55.39 2dmv s GLN 14 Cb -0.03 -1.85 -0.03 0.00 1.10 0.00 0.00 33.01 32.21 2dmv s GLN 14 CO 0.27 -0.35 0.27 1.03 -0.55 0.00 0.00 175.29 175.96 2dmv s ARG 15 N 1.64 1.38 0.07 1.67 0.52 -0.44 -5.01 118.95 118.78 2dmv s ARG 15 Ca 0.03 -1.53 0.05 0.00 -0.52 0.00 0.00 55.73 53.76 2dmv s ARG 15 Cb -0.14 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 2dmv s ARG 15 CO -0.08 -0.51 -0.14 0.08 0.02 0.00 0.00 175.30 174.67 2dmv s VAL 16 N -4.02 1.11 0.77 3.52 1.01 -1.26 -0.28 120.40 121.26 2dmv s VAL 16 Ca 0.33 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2dmv s VAL 16 Cb 0.04 -1.06 0.15 0.00 0.00 0.00 0.00 36.38 35.51 2dmv s VAL 16 CO 0.12 -0.20 1.06 -0.62 0.00 0.00 0.00 175.10 175.46 2dmv s ASP 17 N -1.67 4.04 0.00 3.32 2.15 -1.21 -4.97 116.67 118.32 2dmv s ASP 17 Ca -0.02 -0.42 0.25 0.00 0.43 0.00 0.00 52.55 52.79 2dmv s ASP 17 Cb -0.10 0.18 1.28 0.00 -0.30 0.00 0.00 42.92 43.99 2dmv s ASP 17 CO 0.02 -2.09 1.84 0.00 -0.17 0.00 0.00 175.17 174.77 2dmv n GLN 18 N -3.00 0.40 0.01 4.34 10.64 -1.26 -2.75 117.38 125.75 2dmv n GLN 18 Ca 0.17 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 2dmv n GLN 18 Cb 0.61 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.38 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 -1.25 0.69 0.00 2.61 8.25 -1.26 -4.98 115.22 119.28 2dmv n HIS 19 Ca 0.13 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2dmv n HIS 19 Cb 0.18 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.30 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 1.43 1.15 3.46 -1.41 0.00 -1.11 -5.08 105.19 103.63 2dmv n GLY 20 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.66 3.06 0.35 1.61 0.52 -1.26 -4.90 118.95 117.67 2dmv s ARG 21 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 2dmv s ARG 21 Cb 0.00 -4.00 -0.11 0.00 0.52 0.00 0.00 34.95 31.35 2dmv s ARG 21 CO 0.00 -0.89 1.53 0.28 0.02 0.00 0.00 175.30 176.24 2dmv n VAL 22 N 5.37 1.67 -3.79 3.52 0.31 -1.26 -3.33 118.33 120.81 2dmv n VAL 22 Ca -0.09 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 2dmv n VAL 22 Cb 0.47 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 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 -0.74 -0.20 0.18 3.52 -0.85 0.61 -4.34 117.35 115.53 2dmv s TYR 23 Ca 0.57 0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 57.55 2dmv s TYR 23 Cb -0.48 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 2dmv s TYR 23 CO 0.59 -0.24 0.36 0.71 -1.52 0.00 0.00 175.55 175.44 2dmv s TYR 24 N -0.55 3.49 -0.14 -3.49 2.02 0.96 -1.33 117.35 118.31 2dmv s TYR 24 Ca -0.06 0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2dmv s TYR 24 Cb -0.04 -1.81 0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2dmv s TYR 24 CO 0.02 0.43 -0.08 0.08 -1.57 0.00 0.00 175.55 174.42 2dmv s VAL 25 N -1.81 1.14 -0.45 0.71 1.01 -1.00 -2.46 120.40 117.55 2dmv s VAL 25 Ca 0.37 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 2dmv s VAL 25 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2dmv s VAL 25 CO 0.29 0.30 0.84 -0.62 0.00 0.00 0.00 175.10 175.91 2dmv s ASP 26 N 1.65 6.46 0.16 3.32 -1.08 -1.00 -1.02 116.67 125.15 2dmv s ASP 26 Ca 0.04 0.03 0.19 0.00 -0.52 0.00 0.00 52.55 52.28 2dmv s ASP 26 Cb -0.13 -2.41 0.80 0.00 -1.46 0.00 0.00 42.92 39.71 2dmv s ASP 26 CO -0.08 -0.96 1.57 1.41 0.52 0.00 0.00 175.17 177.63 2dmv n HIS 27 N 6.88 0.46 -0.09 -5.34 8.25 -1.16 -0.09 115.22 124.13 2dmv n HIS 27 Ca 0.04 0.19 -0.13 0.00 -0.26 0.00 0.00 57.72 57.56 2dmv n HIS 27 Cb 0.48 -0.81 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 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 -1.93 1.45 0.22 1.59 0.31 -1.26 -4.55 118.33 114.15 2dmv n VAL 28 Ca 0.02 0.02 0.09 0.00 -0.01 0.00 0.00 64.34 64.46 2dmv n VAL 28 Cb 0.17 -2.15 0.52 0.00 -0.91 0.00 0.00 33.84 31.47 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 -5.00 5.55 5.08 -1.90 -3.47 114.58 113.95 2dmv h GLU 29 Ca -0.18 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.94 2dmv h GLU 29 Cb 1.08 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.48 2dmv h GLU 29 CO -0.11 0.24 -0.67 1.17 -1.00 0.00 0.00 179.01 178.64 2dmv n LYS 30 N -3.60 -3.64 -3.98 2.33 3.00 0.87 -5.03 118.16 108.11 2dmv n LYS 30 Ca -0.01 0.70 -0.09 0.00 -0.00 0.00 0.00 58.31 58.92 2dmv n LYS 30 Cb 0.38 -5.15 -0.10 0.00 0.00 0.00 0.00 35.03 30.15 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 -4.63 0.55 -0.07 1.64 1.70 -1.24 -4.98 118.95 111.92 2dmv s ARG 31 Ca 0.19 -0.86 0.05 0.00 -0.47 0.00 0.00 55.73 54.63 2dmv s ARG 31 Cb -0.02 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 2dmv s ARG 31 CO 0.60 -0.12 -0.25 0.95 -1.08 0.00 0.00 175.30 175.40 2dmv s THR 32 N -2.80 2.05 -0.07 4.99 -4.23 -1.26 -2.37 115.64 111.95 2dmv s THR 32 Ca -0.03 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 2dmv s THR 32 Cb -0.00 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 72.12 2dmv s THR 32 CO -0.06 0.56 0.19 0.28 -0.54 0.00 0.00 174.62 175.05 2dmv s THR 33 N 0.05 -0.01 0.05 3.99 -1.32 -1.03 -5.00 115.64 112.36 2dmv s THR 33 Ca -0.10 0.05 0.33 0.00 -1.21 0.00 0.00 61.69 60.76 2dmv s THR 33 Cb -0.15 -0.28 0.39 0.00 -1.51 0.00 0.00 72.50 70.95 2dmv s THR 33 CO 0.06 0.02 1.95 -0.50 -2.21 0.00 0.00 174.62 173.94 2dmv h TRP 34 N 6.28 0.00 -0.40 9.09 4.06 -1.88 0.27 115.95 133.38 2dmv h TRP 34 Ca -0.30 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 59.97 2dmv h TRP 34 Cb 1.18 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.21 2dmv h TRP 34 CO 0.40 0.00 -0.51 -0.51 -3.56 0.00 0.00 178.44 174.26 2dmv s ASP 35 N -5.73 4.09 0.90 -3.49 1.01 -1.26 -4.27 116.67 107.93 2dmv s ASP 35 Ca 0.02 -1.67 -0.10 0.00 0.71 0.00 0.00 52.55 51.51 2dmv s ASP 35 Cb 0.09 0.56 0.14 0.00 1.01 0.00 0.00 42.92 44.72 2dmv s ASP 35 CO 0.55 -0.87 1.14 -0.13 0.21 0.00 0.00 175.17 176.07 2dmv s ARG 36 N -3.88 1.10 -1.14 8.23 0.52 -1.26 -4.65 118.95 117.88 2dmv s ARG 36 Ca 0.05 1.48 -0.23 0.00 -0.52 0.00 0.00 55.73 56.51 2dmv s ARG 36 Cb 0.01 -1.74 -0.10 0.00 0.52 0.00 0.00 34.95 33.64 2dmv s ARG 36 CO 0.03 -2.55 1.93 -0.35 0.02 0.00 0.00 175.30 174.38 2dmv n PRO 37 N -4.17 1.58 0.34 3.54 -0.04 -1.26 -4.77 135.00 130.22 2dmv n PRO 37 Ca 0.11 -2.40 -0.18 0.00 -0.04 0.00 0.00 63.50 61.00 2dmv n PRO 37 Cb 0.52 -3.65 -0.09 0.00 -0.04 0.00 0.00 33.50 30.25 2dmv n PRO 37 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmv h SER 38 N 9.52 -0.84 -4.33 3.54 0.87 -2.04 -3.49 113.55 116.78 2dmv h SER 38 Ca 0.24 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2dmv h SER 38 Cb 0.91 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2dmv h SER 38 CO 1.30 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 2dmv n GLY 39 N -1.49 0.81 3.77 5.77 0.00 -1.26 -5.09 105.19 107.70 2dmv n GLY 39 Ca -0.13 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.24 4.39 -0.05 1.61 0.04 -1.26 -5.04 135.00 133.45 2dmv s PRO 40 Ca 0.00 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2dmv s PRO 40 Cb 0.00 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 2dmv s PRO 40 CO 0.00 -0.09 -0.24 0.45 0.04 0.00 0.00 177.00 177.16 2dmv s SER 41 N -0.71 3.14 -0.33 6.66 0.15 -1.26 -5.02 113.70 116.33 2dmv s SER 41 Ca 0.49 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.74 2dmv s SER 41 Cb -0.36 -0.72 0.50 0.00 -1.71 0.00 0.00 66.02 63.73 2dmv s SER 41 CO 0.47 0.27 1.49 -1.54 1.20 0.00 0.00 173.24 175.13 2dmv n SER 42 N 2.78 3.23 0.00 5.45 3.41 -1.26 -5.33 113.62 121.90 2dmv n SER 42 Ca -0.17 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.65 2dmv n SER 42 Cb 0.52 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2dmv n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49