#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmv h SER 2 N 0.00 0.06 -4.19 1.61 0.87 -2.12 -3.48 113.55 106.30 2dmv h SER 2 Ca 0.00 -0.66 -0.46 0.00 -1.23 0.00 0.00 61.79 59.44 2dmv h SER 2 Cb 0.00 -0.02 0.12 0.00 -0.44 0.00 0.00 62.40 62.06 2dmv h SER 2 CO 0.00 1.43 0.38 -0.44 -0.53 0.00 0.00 176.83 177.67 2dmv s SER 3 N -6.77 4.07 0.00 6.23 0.01 -1.26 -5.03 113.70 110.96 2dmv s SER 3 Ca -0.26 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dmv s SER 3 Cb 0.04 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2dmv s SER 3 CO 0.64 -2.14 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2dmv n GLY 4 N -3.40 0.74 3.51 3.44 0.00 -1.26 -5.03 105.19 103.20 2dmv n GLY 4 Ca 0.11 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2dmv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmv s SER 5 N -4.00 6.24 0.51 1.61 0.15 -1.26 -5.01 113.70 111.94 2dmv s SER 5 Ca 0.00 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.12 2dmv s SER 5 Cb 0.00 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 2dmv s SER 5 CO 0.00 -1.51 0.53 -1.20 1.20 0.00 0.00 173.24 172.26 2dmv n SER 6 N 8.23 0.89 -4.22 5.45 7.64 -1.26 -5.10 113.62 125.26 2dmv n SER 6 Ca 0.01 -1.71 -0.29 0.00 1.01 0.00 0.00 58.87 57.89 2dmv n SER 6 Cb 0.47 -0.33 0.21 0.00 -1.01 0.00 0.00 64.21 63.56 2dmv n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmv s GLY 7 N -3.79 1.57 0.27 0.23 0.00 -1.26 -5.05 107.32 99.29 2dmv s GLY 7 Ca 0.36 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2dmv s GLY 7 CO 0.24 0.09 0.44 1.08 0.00 0.00 0.00 173.10 174.95 2dmv s LEU 8 N -6.76 4.18 1.01 0.66 1.43 -1.26 -5.10 118.68 112.83 2dmv s LEU 8 Ca 0.68 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 2dmv s LEU 8 Cb -0.14 -3.12 0.19 0.00 0.03 0.00 0.00 46.19 43.15 2dmv s LEU 8 CO 0.57 -0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 2dmv s PRO 9 N -3.90 0.37 -0.31 1.29 0.04 -1.26 -4.94 135.00 126.29 2dmv s PRO 9 Ca 0.38 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 2dmv s PRO 9 Cb -0.10 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 2dmv s PRO 9 CO 0.32 -2.77 1.67 -1.25 0.04 0.00 0.00 177.00 175.00 2dmv s PRO 10 N -4.96 3.53 0.00 0.56 0.04 -1.26 -2.59 135.00 130.32 2dmv s PRO 10 Ca 0.65 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2dmv s PRO 10 Cb -0.19 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2dmv s PRO 10 CO 0.58 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2dmv n GLY 11 N 5.13 1.49 3.59 0.56 0.00 -1.26 -5.11 105.19 109.59 2dmv n GLY 11 Ca 0.20 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 -1.93 2.93 0.39 1.61 0.52 -1.07 -2.55 118.94 118.85 2dmv s TRP 12 Ca 0.00 0.02 0.08 0.00 0.02 0.00 0.00 56.10 56.21 2dmv s TRP 12 Cb 0.00 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 2dmv s TRP 12 CO 0.00 0.34 0.31 -2.00 0.02 0.00 0.00 176.95 175.62 2dmv s GLU 13 N -0.89 2.50 -0.15 4.98 2.56 -0.06 -4.76 118.70 122.88 2dmv s GLU 13 Ca 0.13 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.55 2dmv s GLU 13 Cb -0.11 -2.31 0.03 0.00 2.00 0.00 0.00 34.13 33.74 2dmv s GLU 13 CO 0.02 -0.10 -0.08 -1.14 -0.56 0.00 0.00 175.26 173.41 2dmv s GLN 14 N -4.04 1.63 0.23 4.30 0.74 -1.26 -2.28 119.66 118.98 2dmv s GLN 14 Ca 0.45 -0.46 -0.04 0.00 0.05 0.00 0.00 55.36 55.36 2dmv s GLN 14 Cb -0.02 -1.92 -0.03 0.00 1.10 0.00 0.00 33.01 32.14 2dmv s GLN 14 CO 0.26 -0.35 0.25 1.03 -0.55 0.00 0.00 175.29 175.93 2dmv s ARG 15 N 1.62 1.36 0.06 1.67 0.52 -0.35 -5.01 118.95 118.83 2dmv s ARG 15 Ca 0.03 -1.56 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2dmv s ARG 15 Cb -0.14 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 2dmv s ARG 15 CO -0.08 -0.49 -0.13 0.08 0.02 0.00 0.00 175.30 174.70 2dmv s VAL 16 N -4.02 0.99 0.78 3.52 1.01 -1.26 -0.26 120.40 121.15 2dmv s VAL 16 Ca 0.34 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2dmv s VAL 16 Cb 0.04 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.62 2dmv s VAL 16 CO 0.13 -0.24 1.07 -0.67 0.00 0.00 0.00 175.10 175.39 2dmv n ASP 17 N 1.37 1.21 0.00 3.32 2.03 -1.21 -4.97 116.55 118.30 2dmv n ASP 17 Ca -0.21 -2.08 0.13 0.00 0.52 0.00 0.00 54.79 53.15 2dmv n ASP 17 Cb 0.54 -0.71 0.68 0.00 -0.72 0.00 0.00 41.12 40.90 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 -3.03 0.47 0.01 -0.67 10.64 -1.26 -2.79 117.38 120.76 2dmv n GLN 18 Ca 0.17 0.04 0.02 0.00 -1.83 0.00 0.00 57.00 55.40 2dmv n GLN 18 Cb 0.60 -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 -1.22 0.60 0.00 2.61 8.25 -1.26 -4.98 115.22 119.22 2dmv n HIS 19 Ca 0.14 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2dmv n HIS 19 Cb 0.18 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.36 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 3.47 -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 3.09 0.35 1.61 0.52 -1.26 -4.90 118.95 117.66 2dmv s ARG 21 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 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 -0.93 1.53 0.08 0.02 0.00 0.00 175.30 176.00 2dmv s VAL 22 N 2.16 2.04 -0.05 3.52 1.01 -1.26 -3.31 120.40 124.52 2dmv s VAL 22 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2dmv s VAL 22 Cb -0.18 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2dmv s VAL 22 CO 0.13 0.01 0.25 -0.72 0.00 0.00 0.00 175.10 174.76 2dmv s TYR 23 N -0.72 -0.18 0.15 5.22 -0.85 0.64 -4.29 117.35 117.32 2dmv s TYR 23 Ca 0.57 0.38 0.01 0.00 -0.52 0.00 0.00 57.07 57.51 2dmv s TYR 23 Cb -0.47 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 2dmv s TYR 23 CO 0.58 -0.25 0.30 0.71 -1.52 0.00 0.00 175.55 175.38 2dmv s TYR 24 N -0.64 3.49 -0.13 -3.49 2.02 0.10 -1.21 117.35 117.49 2dmv s TYR 24 Ca -0.07 0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2dmv s TYR 24 Cb -0.04 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2dmv s TYR 24 CO 0.02 0.49 -0.07 0.08 -1.57 0.00 0.00 175.55 174.49 2dmv s VAL 25 N -1.73 1.10 -0.34 0.71 1.01 -0.97 -2.17 120.40 118.01 2dmv s VAL 25 Ca 0.36 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 2dmv s VAL 25 Cb -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2dmv s VAL 25 CO 0.28 0.29 0.83 -0.62 0.00 0.00 0.00 175.10 175.89 2dmv s ASP 26 N 1.66 6.64 0.00 3.32 2.15 -0.77 -0.88 116.67 128.79 2dmv s ASP 26 Ca 0.03 0.54 0.21 0.00 0.43 0.00 0.00 52.55 53.77 2dmv s ASP 26 Cb -0.13 -2.42 0.98 0.00 -0.30 0.00 0.00 42.92 41.04 2dmv s ASP 26 CO -0.08 -0.73 1.67 1.41 -0.17 0.00 0.00 175.17 177.27 2dmv n HIS 27 N 6.46 0.00 -0.11 -5.34 8.25 -1.06 -0.08 115.22 123.35 2dmv n HIS 27 Ca 0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 2dmv n HIS 27 Cb 0.48 -0.39 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.39 1.41 0.19 1.59 0.31 -1.26 -4.57 118.33 114.60 2dmv n VAL 28 Ca 0.08 -0.19 0.08 0.00 -0.01 0.00 0.00 64.34 64.30 2dmv n VAL 28 Cb 0.20 -1.98 0.12 0.00 -0.91 0.00 0.00 33.84 31.28 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 -4.97 5.55 5.08 -1.91 -3.48 114.58 113.95 2dmv h GLU 29 Ca -0.44 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.69 2dmv h GLU 29 Cb 1.35 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.75 2dmv h GLU 29 CO -0.27 0.20 -0.66 1.17 -1.00 0.00 0.00 179.01 178.45 2dmv n LYS 30 N -3.15 -3.61 -4.09 2.33 3.00 0.89 -5.03 118.16 108.50 2dmv n LYS 30 Ca 0.03 0.70 -0.09 0.00 -0.00 0.00 0.00 58.31 58.95 2dmv n LYS 30 Cb 0.61 -5.12 -0.10 0.00 0.00 0.00 0.00 35.03 30.41 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 -4.62 0.62 -0.04 1.64 1.70 -1.22 -4.96 118.95 112.06 2dmv s ARG 31 Ca 0.19 -1.13 0.04 0.00 -0.47 0.00 0.00 55.73 54.36 2dmv s ARG 31 Cb -0.02 0.06 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 2dmv s ARG 31 CO 0.60 -0.07 -0.17 0.95 -1.08 0.00 0.00 175.30 175.53 2dmv s THR 32 N -3.33 1.44 -0.06 4.99 -4.23 -1.26 -1.85 115.64 111.34 2dmv s THR 32 Ca 0.04 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.76 2dmv s THR 32 Cb 0.04 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.65 2dmv s THR 32 CO -0.07 0.42 0.18 0.28 -0.54 0.00 0.00 174.62 174.89 2dmv s THR 33 N 0.05 0.01 -0.22 3.99 -1.32 -0.92 -4.98 115.64 112.24 2dmv s THR 33 Ca -0.04 -0.06 0.28 0.00 -1.21 0.00 0.00 61.69 60.66 2dmv s THR 33 Cb -0.12 -0.28 0.35 0.00 -1.51 0.00 0.00 72.50 70.95 2dmv s THR 33 CO 0.02 -0.03 1.80 -0.50 -2.21 0.00 0.00 174.62 173.70 2dmv h TRP 34 N 5.72 0.00 -5.05 9.09 4.06 -1.88 0.29 115.95 128.18 2dmv h TRP 34 Ca -0.26 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.34 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 0.42 0.00 -0.18 -0.40 -3.56 0.00 0.00 178.44 174.72 2dmv n ASP 35 N -2.97 2.13 -4.81 -3.49 5.68 -1.26 -4.41 116.55 107.43 2dmv n ASP 35 Ca 0.02 -2.15 -0.32 0.00 -0.50 0.00 0.00 54.79 51.85 2dmv n ASP 35 Cb 0.40 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.42 2dmv n ASP 35 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2dmv s ARG 36 N -3.31 3.00 0.45 0.11 1.81 -1.26 -4.59 118.95 115.16 2dmv s ARG 36 Ca 0.16 1.07 0.31 0.00 -1.72 0.00 0.00 55.73 55.55 2dmv s ARG 36 Cb -0.01 -1.99 1.28 0.00 -0.45 0.00 0.00 34.95 33.77 2dmv s ARG 36 CO 0.10 -1.06 1.90 -1.00 -0.68 0.00 0.00 175.30 174.57 2dmv h PRO 37 N -0.34 0.00 -6.75 3.54 0.13 -1.98 -3.44 132.00 123.16 2dmv h PRO 37 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 2dmv h PRO 37 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2dmv h PRO 37 CO 0.56 0.00 0.36 -1.54 -0.23 0.00 0.00 178.00 177.16 2dmv s SER 38 N -5.16 7.60 0.00 1.44 1.04 -1.26 -4.88 113.70 112.48 2dmv s SER 38 Ca 0.02 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.43 2dmv s SER 38 Cb 0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dmv s SER 38 CO 0.48 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2dmv n GLY 39 N 1.49 -1.70 1.60 7.32 0.00 -1.26 -5.00 105.19 107.64 2dmv n GLY 39 Ca -0.02 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.79 -2.00 -0.13 1.61 -0.04 -1.26 -5.04 135.00 126.35 2dmv n PRO 40 Ca 0.00 -0.80 -0.27 0.00 -0.04 0.00 0.00 63.50 62.39 2dmv n PRO 40 Cb 0.00 -0.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 2dmv n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmv n SER 41 N -3.86 1.86 -4.62 3.54 3.41 -1.26 -4.90 113.62 107.78 2dmv n SER 41 Ca 0.07 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.54 2dmv n SER 41 Cb 0.27 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -7.29 6.17 0.00 4.04 0.15 -1.26 -5.17 113.70 110.34 2dmv s SER 42 Ca -0.36 1.62 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2dmv s SER 42 Cb 0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dmv s SER 42 CO 0.47 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 174.09