#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dif s SER 2 N 0.00 -0.19 0.80 1.61 1.04 -1.26 -5.16 113.70 110.54 2dif s SER 2 Ca 0.00 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.72 2dif s SER 2 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2dif s SER 2 CO 0.00 -0.12 1.09 -0.94 0.98 0.00 0.00 173.24 174.25 2dif s SER 3 N 0.82 4.48 1.26 7.02 1.04 -1.26 -5.03 113.70 122.03 2dif s SER 3 Ca -0.06 1.36 -0.19 0.00 0.48 0.00 0.00 55.95 57.55 2dif s SER 3 Cb -0.08 -2.11 0.28 0.00 0.10 0.00 0.00 66.02 64.22 2dif s SER 3 CO -0.05 -1.98 0.63 0.61 0.98 0.00 0.00 173.24 173.43 2dif n GLY 4 N -1.98 -3.11 0.32 7.32 0.00 -1.26 -4.91 105.19 101.57 2dif n GLY 4 Ca 0.07 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 2dif n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dif h SER 5 N -3.11 -0.69 -1.59 1.61 0.02 -2.05 -3.44 113.55 104.31 2dif h SER 5 Ca -0.38 0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.14 2dif h SER 5 Cb 1.13 0.20 0.15 0.00 0.14 0.00 0.00 62.40 64.02 2dif h SER 5 CO 0.25 -0.45 -1.01 -0.24 -1.14 0.00 0.00 176.83 174.24 2dif n SER 6 N -5.42 -3.24 -2.42 3.07 2.88 -1.26 -4.19 113.62 103.05 2dif n SER 6 Ca -0.11 0.46 -0.04 0.00 -1.33 0.00 0.00 58.87 57.85 2dif n SER 6 Cb 0.31 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2dif n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dif n GLY 7 N 2.13 -2.08 0.28 0.46 0.00 -1.26 -4.88 105.19 99.83 2dif n GLY 7 Ca 0.05 0.66 0.15 0.00 0.00 0.00 0.00 46.02 46.88 2dif n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dif h GLU 8 N 1.67 0.00 -1.43 1.61 4.39 -1.95 -3.44 114.58 115.43 2dif h GLU 8 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2dif h GLU 8 Cb 0.46 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.83 2dif h GLU 8 CO 0.12 0.08 0.56 -1.54 -1.16 0.00 0.00 179.01 177.06 2dif s SER 9 N -5.92 -0.35 0.02 1.42 1.04 -1.26 -5.08 113.70 103.57 2dif s SER 9 Ca -0.03 0.63 0.04 0.00 0.48 0.00 0.00 55.95 57.07 2dif s SER 9 Cb 0.13 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 2dif s SER 9 CO 0.55 -0.11 -0.11 -0.76 0.98 0.00 0.00 173.24 173.79 2dif s LEU 10 N 0.46 2.11 0.23 2.42 1.43 -1.26 -2.04 118.68 122.03 2dif s LEU 10 Ca 0.01 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.46 2dif s LEU 10 Cb -0.05 -0.50 -0.14 0.00 0.03 0.00 0.00 46.19 45.54 2dif s LEU 10 CO -0.10 0.04 1.39 0.00 0.23 0.00 0.00 176.35 177.90 2dif n PRO 12 N 2.00 0.48 0.00 0.00 -0.04 -1.26 0.85 135.00 137.04 2dif n PRO 12 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2dif n PRO 12 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2dif n PRO 12 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dif n GLN 13 N -1.01 0.00 0.03 0.54 -0.06 -1.26 -4.82 117.38 110.80 2dif n GLN 13 Ca 0.12 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.23 2dif n GLN 13 Cb 0.06 -0.66 -0.07 0.00 -4.06 0.00 0.00 30.24 25.51 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2dif n HIS 14 N -2.17 0.28 -3.85 3.69 8.25 -1.22 -4.98 115.22 115.21 2dif n HIS 14 Ca 0.00 0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 2dif n HIS 14 Cb 0.26 -0.52 0.02 0.00 1.12 0.00 0.00 29.99 30.87 2dif n HIS 14 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dif n HIS 15 N -2.17 -2.12 -4.60 4.41 8.25 0.25 -4.83 115.22 114.40 2dif n HIS 15 Ca -0.01 0.87 -0.25 0.00 -0.26 0.00 0.00 57.72 58.08 2dif n HIS 15 Cb 0.50 -4.09 -0.14 0.00 1.12 0.00 0.00 29.99 27.38 2dif n HIS 15 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2dif s GLU 16 N -6.41 1.33 -0.25 -0.41 0.41 -1.26 -4.62 118.70 107.49 2dif s GLU 16 Ca 0.40 -0.92 -0.34 0.00 -0.41 0.00 0.00 54.97 53.70 2dif s GLU 16 Cb -0.20 -1.43 -0.15 0.00 -1.78 0.00 0.00 34.13 30.56 2dif s GLU 16 CO 0.83 0.36 1.08 0.00 -0.49 0.00 0.00 175.26 177.05 2dif n ALA 17 N 1.84 -1.69 -2.81 5.21 0.00 -1.26 -1.80 120.51 120.00 2dif n ALA 17 Ca -0.17 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2dif n ALA 17 Cb 0.53 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2dif n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dif s LEU 18 N 1.50 4.58 -0.55 0.00 1.43 -0.86 -4.43 118.68 120.34 2dif s LEU 18 Ca 0.77 -2.52 -0.00 0.00 -1.03 0.00 0.00 54.13 51.35 2dif s LEU 18 Cb -1.09 -2.46 0.47 0.00 0.03 0.00 0.00 46.19 43.14 2dif s LEU 18 CO 0.56 -0.99 1.98 -1.20 0.23 0.00 0.00 176.35 176.92 2dif n SER 19 N 6.86 6.39 -3.54 2.29 7.64 -1.22 -4.82 113.62 127.23 2dif n SER 19 Ca 0.37 -3.60 -0.11 0.00 1.01 0.00 0.00 58.87 56.54 2dif n SER 19 Cb 0.46 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 2dif n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dif s LEU 20 N -3.34 -0.10 -0.23 -3.43 1.43 -0.69 -3.92 118.68 108.41 2dif s LEU 20 Ca 0.57 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2dif s LEU 20 Cb 0.46 2.24 0.12 0.00 0.03 0.00 0.00 46.19 49.03 2dif s LEU 20 CO 0.02 -0.93 0.34 0.12 0.23 0.00 0.00 176.35 176.13 2dif s PHE 21 N -3.78 -0.67 -0.49 0.29 2.19 0.96 -0.17 117.98 116.31 2dif s PHE 21 Ca 0.02 0.69 -0.28 0.00 0.33 0.00 0.00 56.93 57.69 2dif s PHE 21 Cb 0.00 -0.08 0.01 0.00 -1.31 0.00 0.00 43.02 41.64 2dif s PHE 21 CO -0.12 -0.68 1.48 0.00 1.83 0.00 0.00 175.22 177.73 2dif h TYR 23 N 11.39 -1.18 -0.49 0.00 0.05 -1.12 0.66 116.97 126.29 2dif h TYR 23 Ca -0.28 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.59 2dif h TYR 23 Cb 1.11 0.51 -0.07 0.00 1.01 0.00 0.00 36.73 39.29 2dif h TYR 23 CO 1.00 -0.43 -0.43 0.93 -1.05 0.00 0.00 178.16 178.18 2dif h GLU 24 N -0.51 -0.17 0.00 4.88 4.39 -1.91 1.04 114.58 122.29 2dif h GLU 24 Ca 0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dif h GLU 24 Cb 0.54 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2dif h GLU 24 CO -0.26 -0.11 0.00 -0.25 -1.16 0.00 0.00 179.01 177.23 2dif n ASP 25 N -4.69 0.59 -3.91 1.42 8.00 -1.08 -4.85 116.55 112.03 2dif n ASP 25 Ca -0.01 0.73 -0.29 0.00 0.71 0.00 0.00 54.79 55.93 2dif n ASP 25 Cb 0.23 -0.82 0.02 0.00 -0.02 0.00 0.00 41.12 40.53 2dif n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dif n GLN 26 N -2.25 -4.99 -3.88 -1.24 1.13 0.36 -4.96 117.38 101.55 2dif n GLN 26 Ca -0.00 0.56 -0.09 0.00 -1.94 0.00 0.00 57.00 55.53 2dif n GLN 26 Cb 0.10 -5.31 -0.07 0.00 0.11 0.00 0.00 30.24 25.07 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2dif s GLU 27 N -6.51 0.94 0.20 -1.09 -1.05 -1.01 -5.01 118.70 105.16 2dif s GLU 27 Ca 0.48 -1.02 -0.27 0.00 -0.15 0.00 0.00 54.97 54.01 2dif s GLU 27 Cb -0.24 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 2dif s GLU 27 CO 0.84 -0.31 0.85 0.00 0.95 0.00 0.00 175.26 177.58 2dif s ALA 28 N -3.89 3.40 0.25 -0.84 0.00 -1.26 -0.70 121.76 118.71 2dif s ALA 28 Ca 0.08 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2dif s ALA 28 Cb 0.04 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2dif s ALA 28 CO -0.08 0.26 0.11 0.14 0.00 0.00 0.00 175.76 176.18 2dif s VAL 29 N -1.19 0.44 0.55 0.00 -7.23 0.76 -4.86 120.40 108.87 2dif s VAL 29 Ca 0.39 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2dif s VAL 29 Cb -0.24 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.15 2dif s VAL 29 CO 0.28 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.67 2dif h LEU 31 N 0.48 -0.61 -0.95 0.00 3.38 -1.91 -1.93 115.31 113.77 2dif h LEU 31 Ca -0.34 0.04 0.29 0.00 0.09 0.00 0.00 57.88 57.97 2dif h LEU 31 Cb 1.29 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 42.07 2dif h LEU 31 CO 0.49 -0.33 0.29 0.40 0.09 0.00 0.00 178.44 179.38 2dif h ILE 32 N -0.52 0.18 0.27 1.22 5.03 -1.97 0.85 117.51 122.59 2dif h ILE 32 Ca -0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 2dif h ILE 32 Cb 0.43 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.23 2dif h ILE 32 CO 0.01 0.03 -0.29 0.00 -0.68 0.00 0.00 178.15 177.22 2dif n ALA 34 N -2.57 -0.11 -0.27 0.00 0.00 0.29 0.33 120.51 118.18 2dif n ALA 34 Ca -0.09 0.76 0.02 0.00 0.00 0.00 0.00 53.44 54.14 2dif n ALA 34 Cb 0.31 -0.33 0.07 0.00 0.00 0.00 0.00 19.45 19.50 2dif n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dif n ILE 35 N -5.12 -0.34 0.27 0.00 5.41 -1.08 -0.26 119.36 118.25 2dif n ILE 35 Ca 0.08 1.68 -0.11 0.00 1.00 0.00 0.00 62.75 65.40 2dif n ILE 35 Cb 0.30 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 36.89 2dif n ILE 35 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dif h SER 36 N 0.00 -0.60 -0.79 4.38 0.87 -0.26 -2.99 113.55 114.16 2dif h SER 36 Ca 0.31 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.97 2dif h SER 36 Cb 0.49 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.50 2dif h SER 36 CO -0.74 -0.37 -0.56 0.45 -0.53 0.00 0.00 176.83 175.08 2dif h HIS 37 N -0.83 -1.75 -0.97 2.24 3.86 -0.83 0.35 115.15 117.23 2dif h HIS 37 Ca -0.07 0.11 0.32 0.00 -1.16 0.00 0.00 60.37 59.57 2dif h HIS 37 Cb 0.54 0.87 -0.17 0.00 1.06 0.00 0.00 27.41 29.71 2dif h HIS 37 CO 0.07 -0.41 0.33 1.79 0.86 0.00 0.00 177.93 180.57 2dif h THR 38 N -0.14 0.13 -0.32 2.45 1.35 -0.69 0.58 112.91 116.27 2dif h THR 38 Ca 0.15 -0.04 -0.06 0.00 -0.55 0.00 0.00 66.41 65.91 2dif h THR 38 Cb 0.49 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 2dif h THR 38 CO -0.82 0.02 -0.04 -0.74 -0.25 0.00 0.00 175.52 173.69 2dif h HIS 39 N 0.10 0.65 -0.08 4.73 6.17 -0.19 -3.04 115.15 123.50 2dif h HIS 39 Ca 0.69 -0.13 -0.07 0.00 0.71 0.00 0.00 60.37 61.57 2dif h HIS 39 Cb 1.61 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 31.35 2dif h HIS 39 CO -0.21 0.74 0.01 0.54 0.71 0.00 0.00 177.93 179.72 2dif n ARG 40 N -4.50 1.25 -4.14 5.26 3.00 0.19 -4.77 116.66 112.96 2dif n ARG 40 Ca -0.02 -0.36 -0.32 0.00 -0.01 0.00 0.00 57.85 57.13 2dif n ARG 40 Cb 0.30 -1.22 -0.08 0.00 0.00 0.00 0.00 32.46 31.45 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dif n ALA 41 N 1.47 -1.49 -2.80 7.54 0.00 -1.10 -4.89 120.51 119.24 2dif n ALA 41 Ca 0.10 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.90 2dif n ALA 41 Cb 0.56 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2dif n ALA 41 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dif s HIS 42 N -3.62 3.41 -0.15 0.00 3.76 -0.41 -5.01 115.29 113.27 2dif s HIS 42 Ca 0.36 0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 55.42 2dif s HIS 42 Cb -0.21 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 2dif s HIS 42 CO 0.89 0.61 0.71 0.99 -0.85 0.00 0.00 174.74 177.09 2dif s THR 43 N -0.90 4.99 -0.00 1.30 2.01 -1.26 -4.05 115.64 117.72 2dif s THR 43 Ca 0.14 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.52 2dif s THR 43 Cb -0.12 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2dif s THR 43 CO 0.03 0.13 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 2dif s VAL 44 N 1.65 0.03 -0.01 3.82 1.01 -1.26 -0.58 120.40 125.07 2dif s VAL 44 Ca 0.34 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2dif s VAL 44 Cb -0.17 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2dif s VAL 44 CO 0.13 -0.13 0.24 0.68 0.00 0.00 0.00 175.10 176.02 2dif s VAL 45 N -0.37 0.07 0.37 2.92 -7.23 -1.04 -4.91 120.40 110.20 2dif s VAL 45 Ca -0.04 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 2dif s VAL 45 Cb -0.03 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 2dif s VAL 45 CO -0.00 -0.31 1.20 -2.16 -0.31 0.00 0.00 175.10 173.52 2dif s PRO 46 N -1.38 4.20 -0.03 4.82 0.04 -1.26 -0.03 135.00 141.36 2dif s PRO 46 Ca -0.14 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2dif s PRO 46 Cb -0.06 -2.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 2dif s PRO 46 CO 0.03 -0.23 -0.02 -0.07 0.04 0.00 0.00 177.00 176.74 2dif h LEU 47 N 2.97 0.00 -1.24 -3.56 4.07 -1.86 -3.36 115.31 112.33 2dif h LEU 47 Ca -0.49 0.00 0.17 0.00 0.08 0.00 0.00 57.88 57.65 2dif h LEU 47 Cb 1.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 2dif h LEU 47 CO 0.64 0.14 0.89 -1.28 -1.08 0.00 0.00 178.44 177.74 2dif h SER 48 N -0.21 0.00 0.00 -0.43 0.87 -1.90 -3.46 113.55 108.42 2dif h SER 48 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dif h SER 48 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2dif h SER 48 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 2dif n GLY 49 N -1.57 0.16 3.56 5.77 0.00 -1.26 -4.86 105.19 106.99 2dif n GLY 49 Ca 0.13 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 2dif n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dif s PRO 50 N 0.00 2.55 -0.15 1.61 0.04 -1.26 -4.63 135.00 133.16 2dif s PRO 50 Ca 0.00 -0.38 0.01 0.00 0.04 0.00 0.00 61.00 60.67 2dif s PRO 50 Cb 0.00 -5.08 -0.10 0.00 0.04 0.00 0.00 34.50 29.36 2dif s PRO 50 CO 0.00 -3.44 -0.13 -1.13 0.04 0.00 0.00 177.00 172.34 2dif n SER 51 N 14.02 2.82 -3.70 6.66 3.41 -1.26 -5.10 113.62 130.47 2dif n SER 51 Ca 0.41 -0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 58.92 2dif n SER 51 Cb 0.47 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2dif n SER 51 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dif s SER 52 N -5.44 -0.13 0.00 4.04 1.04 -1.26 -5.26 113.70 106.68 2dif s SER 52 Ca -0.20 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2dif s SER 52 Cb 0.05 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2dif s SER 52 CO 0.35 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.44