#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 -0.29 0.05 1.61 0.01 -1.26 -5.19 113.70 108.63 2dif s SER 2 Ca 0.00 0.30 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 2dif s SER 2 Cb 0.00 0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.51 2dif s SER 2 CO 0.00 -0.28 0.42 -0.44 0.41 0.00 0.00 173.24 173.35 2dif s SER 3 N -1.17 -0.29 -0.37 2.44 0.01 -1.26 -5.11 113.70 107.95 2dif s SER 3 Ca 0.01 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2dif s SER 3 Cb -0.01 0.43 0.28 0.00 0.21 0.00 0.00 66.02 66.94 2dif s SER 3 CO -0.01 -0.67 1.19 0.61 0.41 0.00 0.00 173.24 174.77 2dif n GLY 4 N 0.48 -1.09 3.67 3.44 0.00 -1.26 -5.14 105.19 105.29 2dif n GLY 4 Ca -0.18 0.70 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 2dif n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dif s SER 5 N -0.64 5.78 -0.17 1.61 0.15 -1.26 -5.08 113.70 114.09 2dif s SER 5 Ca 0.26 0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 2dif s SER 5 Cb 0.24 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 2dif s SER 5 CO -0.14 0.20 0.58 -0.55 1.20 0.00 0.00 173.24 174.53 2dif s SER 6 N 0.23 6.69 0.00 5.45 0.15 -1.26 -5.04 113.70 119.92 2dif s SER 6 Ca 0.05 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2dif s SER 6 Cb -0.12 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dif s SER 6 CO -0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2dif n GLY 7 N 3.65 1.44 3.21 9.45 0.00 -1.26 -4.93 105.19 116.75 2dif n GLY 7 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2dif n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dif n GLU 8 N 0.00 0.05 -3.91 1.61 0.00 -1.26 -4.94 120.64 112.18 2dif n GLU 8 Ca 0.00 0.03 -0.35 0.00 0.00 0.00 0.00 57.16 56.84 2dif n GLU 8 Cb 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 31.44 30.09 2dif n GLU 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2dif s SER 9 N -1.15 4.88 -0.01 -1.84 0.01 -1.26 -5.09 113.70 109.23 2dif s SER 9 Ca 0.53 -1.34 0.07 0.00 1.31 0.00 0.00 55.95 56.51 2dif s SER 9 Cb -0.34 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 2dif s SER 9 CO 0.71 -0.27 -0.22 -0.76 0.41 0.00 0.00 173.24 173.11 2dif s LEU 10 N 1.23 2.05 0.17 2.44 1.43 -1.26 -2.38 118.68 122.35 2dif s LEU 10 Ca -0.04 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 52.32 2dif s LEU 10 Cb -0.20 -1.11 -0.16 0.00 0.03 0.00 0.00 46.19 44.75 2dif s LEU 10 CO -0.02 0.26 1.14 0.00 0.23 0.00 0.00 176.35 177.97 2dif n PRO 12 N 1.72 0.18 -0.01 0.00 -0.04 -1.26 0.13 135.00 135.72 2dif n PRO 12 Ca 0.15 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 2dif n PRO 12 Cb 0.24 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2dif n PRO 12 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dif n GLN 13 N -1.31 0.05 -0.02 0.54 1.13 -1.26 -4.77 117.38 111.73 2dif n GLN 13 Ca 0.06 0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 55.10 2dif n GLN 13 Cb 0.12 -0.95 -0.13 0.00 0.11 0.00 0.00 30.24 29.39 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2dif n HIS 14 N -2.66 0.66 -2.59 1.08 8.25 -1.22 -4.98 115.22 113.77 2dif n HIS 14 Ca -0.04 0.23 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 2dif n HIS 14 Cb 0.54 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.60 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 -2.85 -1.30 -4.73 4.41 8.25 0.35 -4.89 115.22 114.47 2dif n HIS 15 Ca -0.17 0.17 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2dif n HIS 15 Cb 0.96 -4.12 -0.12 0.00 1.12 0.00 0.00 29.99 27.82 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 -5.24 2.34 -0.46 -0.41 0.41 -1.26 -4.69 118.70 109.39 2dif s GLU 16 Ca 0.10 -0.81 -0.46 0.00 -0.41 0.00 0.00 54.97 53.39 2dif s GLU 16 Cb -0.04 -2.32 -0.20 0.00 -1.78 0.00 0.00 34.13 29.79 2dif s GLU 16 CO 0.12 0.59 1.53 0.00 -0.49 0.00 0.00 175.26 177.01 2dif n ALA 17 N 1.88 -1.46 -2.59 5.21 0.00 -1.26 -2.87 120.51 119.41 2dif n ALA 17 Ca -0.16 0.49 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 2dif n ALA 17 Cb 0.52 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 2.76 3.67 -0.20 0.00 1.43 -1.00 -4.53 118.68 120.80 2dif s LEU 18 Ca 1.02 0.36 0.14 0.00 -1.03 0.00 0.00 54.13 54.61 2dif s LEU 18 Cb -1.45 -3.44 0.40 0.00 0.03 0.00 0.00 46.19 41.73 2dif s LEU 18 CO 0.79 -1.26 1.26 -0.24 0.23 0.00 0.00 176.35 177.13 2dif n SER 19 N 7.83 2.25 -3.94 2.29 2.88 -1.25 -4.95 113.62 118.73 2dif n SER 19 Ca 0.11 -3.54 -0.10 0.00 -1.33 0.00 0.00 58.87 54.01 2dif n SER 19 Cb 0.49 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 2dif n SER 19 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dif s LEU 20 N -3.09 0.72 -0.17 2.46 1.43 -1.16 -3.38 118.68 115.49 2dif s LEU 20 Ca 0.38 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2dif s LEU 20 Cb 0.35 1.41 0.07 0.00 0.03 0.00 0.00 46.19 48.04 2dif s LEU 20 CO -0.01 -0.96 0.40 0.12 0.23 0.00 0.00 176.35 176.13 2dif s PHE 21 N -3.97 -0.64 -0.25 0.29 5.36 -0.58 -2.39 117.98 115.80 2dif s PHE 21 Ca 0.18 1.32 -0.22 0.00 -0.96 0.00 0.00 56.93 57.24 2dif s PHE 21 Cb 0.02 0.25 -0.01 0.00 -0.34 0.00 0.00 43.02 42.94 2dif s PHE 21 CO 0.01 -0.38 0.70 0.00 -1.46 0.00 0.00 175.22 174.10 2dif h TYR 23 N 7.81 -0.47 -0.79 0.00 0.05 -1.52 0.75 116.97 122.80 2dif h TYR 23 Ca -0.25 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.59 2dif h TYR 23 Cb 1.11 0.15 -0.10 0.00 1.01 0.00 0.00 36.73 38.91 2dif h TYR 23 CO 0.75 -0.29 -0.47 0.39 -1.05 0.00 0.00 178.16 177.49 2dif n GLU 24 N -3.74 -0.35 0.16 4.88 -0.58 -1.26 0.15 120.64 119.89 2dif n GLU 24 Ca -0.06 1.21 0.01 0.00 -0.42 0.00 0.00 57.16 57.89 2dif n GLU 24 Cb 0.20 -1.77 0.24 0.00 -0.57 0.00 0.00 31.44 29.53 2dif n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2dif h ASP 25 N 0.00 0.00 -1.83 1.62 3.32 -1.92 -3.47 116.42 114.14 2dif h ASP 25 Ca 0.13 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.97 2dif h ASP 25 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2dif h ASP 25 CO -0.75 0.53 -0.28 1.67 -1.72 0.00 0.00 179.24 178.69 2dif n GLN 26 N -3.76 -1.40 -4.26 3.56 -0.06 0.39 -5.03 117.38 106.82 2dif n GLN 26 Ca -0.01 0.49 -0.17 0.00 -2.00 0.00 0.00 57.00 55.31 2dif n GLN 26 Cb 0.57 -4.50 -0.11 0.00 -4.06 0.00 0.00 30.24 22.14 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2dif s GLU 27 N -4.73 1.09 -0.03 3.69 -1.05 -0.79 -4.96 118.70 111.91 2dif s GLU 27 Ca 0.05 -1.37 -0.23 0.00 -0.15 0.00 0.00 54.97 53.28 2dif s GLU 27 Cb -0.02 -0.85 -0.04 0.00 -0.44 0.00 0.00 34.13 32.77 2dif s GLU 27 CO 0.07 0.14 0.68 0.00 0.95 0.00 0.00 175.26 177.10 2dif s ALA 28 N -2.66 3.38 0.22 -0.84 0.00 -1.26 -0.53 121.76 120.06 2dif s ALA 28 Ca 0.14 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.27 2dif s ALA 28 Cb -0.02 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 2dif s ALA 28 CO 0.03 -0.00 -0.05 0.14 0.00 0.00 0.00 175.76 175.88 2dif s VAL 29 N 0.40 1.25 0.52 0.00 -7.23 -1.01 -4.93 120.40 109.40 2dif s VAL 29 Ca 0.36 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2dif s VAL 29 Cb -0.18 -2.23 0.11 0.00 0.56 0.00 0.00 36.38 34.64 2dif s VAL 29 CO 0.19 -0.43 0.70 0.00 -0.31 0.00 0.00 175.10 175.25 2dif h LEU 31 N 0.00 -0.71 -0.77 0.00 6.46 -1.89 -2.89 115.31 115.50 2dif h LEU 31 Ca -0.23 -0.02 0.18 0.00 -0.12 0.00 0.00 57.88 57.69 2dif h LEU 31 Cb 0.72 0.18 -0.13 0.00 -0.73 0.00 0.00 40.66 40.71 2dif h LEU 31 CO 0.20 -0.35 0.08 0.40 -0.62 0.00 0.00 178.44 178.14 2dif h ILE 32 N -1.10 0.37 -0.23 4.05 5.03 -1.97 -0.51 117.51 123.16 2dif h ILE 32 Ca -0.09 -0.05 0.06 0.00 -0.12 0.00 0.00 64.86 64.66 2dif h ILE 32 Cb 0.69 0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 34.62 2dif h ILE 32 CO 0.14 0.03 -0.21 0.00 -0.68 0.00 0.00 178.15 177.43 2dif n ALA 34 N -2.74 -0.28 -0.29 0.00 0.00 -0.20 -0.25 120.51 116.75 2dif n ALA 34 Ca -0.01 0.65 -0.08 0.00 0.00 0.00 0.00 53.44 54.00 2dif n ALA 34 Cb 0.27 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 -4.96 -0.47 0.21 0.00 5.41 -0.97 0.64 119.36 119.22 2dif n ILE 35 Ca 0.04 1.69 -0.16 0.00 1.00 0.00 0.00 62.75 65.33 2dif n ILE 35 Cb 0.23 -2.09 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dif h SER 36 N 0.00 -1.11 0.11 4.38 0.02 -0.76 -1.78 113.55 114.40 2dif h SER 36 Ca 0.11 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2dif h SER 36 Cb 0.28 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2dif h SER 36 CO -0.65 -0.53 -0.16 0.45 -1.14 0.00 0.00 176.83 174.80 2dif h HIS 37 N -0.77 -0.47 -1.17 3.45 3.86 -0.35 -0.02 115.15 119.69 2dif h HIS 37 Ca -0.02 0.01 0.34 0.00 -1.16 0.00 0.00 60.37 59.54 2dif h HIS 37 Cb 0.71 0.19 -0.05 0.00 1.06 0.00 0.00 27.41 29.32 2dif h HIS 37 CO -0.26 -0.20 1.15 1.79 0.86 0.00 0.00 177.93 181.27 2dif h THR 38 N -0.28 0.07 0.13 2.45 1.35 0.21 1.85 112.91 118.68 2dif h THR 38 Ca -0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.55 2dif h THR 38 Cb 0.26 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.79 2dif h THR 38 CO -0.05 0.00 -1.43 -0.74 -0.25 0.00 0.00 175.52 173.05 2dif h HIS 39 N 0.00 0.50 -0.11 4.73 6.17 -0.25 -3.25 115.15 122.93 2dif h HIS 39 Ca 0.56 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 61.27 2dif h HIS 39 Cb 2.86 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 32.77 2dif h HIS 39 CO 0.00 1.36 0.00 0.54 0.71 0.00 0.00 177.93 180.54 2dif n ARG 40 N -3.50 1.42 -3.11 5.26 5.12 0.62 -4.85 116.66 117.63 2dif n ARG 40 Ca -0.14 -0.46 -0.14 0.00 -1.93 0.00 0.00 57.85 55.19 2dif n ARG 40 Cb 1.04 -1.31 0.05 0.00 -1.16 0.00 0.00 32.46 31.08 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dif n ALA 41 N -0.05 -0.97 -2.83 7.54 0.00 -0.83 -5.02 120.51 118.35 2dif n ALA 41 Ca 0.04 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2dif n ALA 41 Cb 0.22 -3.10 -0.10 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.21 3.16 -0.01 0.00 3.76 -0.97 -5.01 115.29 113.02 2dif s HIS 42 Ca 0.26 -0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 2dif s HIS 42 Cb -0.11 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2dif s HIS 42 CO 0.46 0.19 1.37 0.99 -0.85 0.00 0.00 174.74 176.90 2dif s THR 43 N 0.00 3.78 -0.03 1.30 2.01 -1.26 -4.06 115.64 117.39 2dif s THR 43 Ca 0.03 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2dif s THR 43 Cb -0.13 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.66 2dif s THR 43 CO 0.02 -0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 2dif s VAL 44 N 2.35 0.14 0.07 3.82 1.01 -1.26 -1.39 120.40 125.13 2dif s VAL 44 Ca 0.63 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2dif s VAL 44 Cb -0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2dif s VAL 44 CO 0.26 0.15 -0.13 0.68 0.00 0.00 0.00 175.10 176.05 2dif s VAL 45 N 1.18 1.05 0.25 2.92 -7.23 -0.98 -4.93 120.40 112.67 2dif s VAL 45 Ca -0.08 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2dif s VAL 45 Cb -0.13 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 2dif s VAL 45 CO -0.02 -0.25 1.27 -2.16 -0.31 0.00 0.00 175.10 173.62 2dif s PRO 46 N -1.76 4.43 -0.05 4.82 0.04 -1.26 -1.52 135.00 139.69 2dif s PRO 46 Ca -0.02 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2dif s PRO 46 Cb -0.10 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2dif s PRO 46 CO 0.02 -0.15 0.28 -0.07 0.04 0.00 0.00 177.00 177.13 2dif h LEU 47 N 4.52 -0.17 -1.28 -3.56 4.07 -1.86 -3.26 115.31 113.77 2dif h LEU 47 Ca -0.46 0.01 0.19 0.00 0.08 0.00 0.00 57.88 57.69 2dif h LEU 47 Cb 1.22 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.98 2dif h LEU 47 CO 0.72 0.18 0.89 0.77 -1.08 0.00 0.00 178.44 179.92 2dif h SER 48 N -0.81 0.00 -1.11 -0.43 4.64 -1.93 -3.46 113.55 110.44 2dif h SER 48 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2dif h SER 48 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2dif h SER 48 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2dif n GLY 49 N -1.58 -0.47 3.77 -0.77 0.00 -1.23 -5.03 105.19 99.88 2dif n GLY 49 Ca 0.14 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 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 3.79 0.15 1.61 0.04 -1.26 -4.79 135.00 134.54 2dif s PRO 50 Ca 0.00 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 2dif s PRO 50 Cb 0.00 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2dif s PRO 50 CO 0.00 -0.53 0.20 -1.12 0.04 0.00 0.00 177.00 175.59 2dif s SER 51 N -1.33 0.14 0.10 6.66 0.01 -1.26 -5.07 113.70 112.95 2dif s SER 51 Ca 0.63 -0.99 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 2dif s SER 51 Cb -0.29 0.38 -0.12 0.00 0.21 0.00 0.00 66.02 66.20 2dif s SER 51 CO 0.35 -0.83 1.63 0.77 0.41 0.00 0.00 173.24 175.58 2dif h SER 52 N 2.67 -0.79 0.00 2.44 4.64 -2.06 -3.56 113.55 116.89 2dif h SER 52 Ca -0.33 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2dif h SER 52 Cb 1.22 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2dif h SER 52 CO 0.52 -0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.68