#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 6.77 1.28 1.61 0.15 -1.26 -5.07 113.70 117.18 2dif s SER 2 Ca 0.00 0.91 -0.19 0.00 0.70 0.00 0.00 55.95 57.37 2dif s SER 2 Cb 0.00 -2.28 0.29 0.00 -1.71 0.00 0.00 66.02 62.32 2dif s SER 2 CO 0.00 0.14 0.67 -1.20 1.20 0.00 0.00 173.24 174.04 2dif n SER 3 N 2.86 -3.36 0.00 5.45 7.64 -1.26 -4.92 113.62 120.03 2dif n SER 3 Ca -0.10 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2dif n SER 3 Cb 0.52 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2dif n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 4 N 1.94 0.25 3.92 0.23 0.00 -1.26 -5.15 105.19 105.12 2dif n GLY 4 Ca 0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2dif n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dif s SER 5 N 0.00 6.41 0.03 1.61 1.04 -1.26 -5.04 113.70 116.49 2dif s SER 5 Ca 0.00 0.41 -0.28 0.00 0.48 0.00 0.00 55.95 56.55 2dif s SER 5 Cb 0.00 -2.01 -0.17 0.00 0.10 0.00 0.00 66.02 63.94 2dif s SER 5 CO 0.00 0.04 1.29 0.28 0.98 0.00 0.00 173.24 175.83 2dif h SER 6 N 2.50 -0.70 -3.58 7.02 0.02 -2.05 -3.40 113.55 113.36 2dif h SER 6 Ca -0.47 -0.03 -0.67 0.00 -0.84 0.00 0.00 61.79 59.79 2dif h SER 6 Cb 1.18 0.18 -0.17 0.00 0.14 0.00 0.00 62.40 63.73 2dif h SER 6 CO 0.71 -0.36 -0.10 -0.83 -1.14 0.00 0.00 176.83 175.11 2dif s GLY 7 N -2.40 1.83 -0.32 -3.77 0.00 -1.26 -4.92 107.32 96.47 2dif s GLY 7 Ca -0.15 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.33 2dif s GLY 7 CO 0.51 1.26 1.28 -1.84 0.00 0.00 0.00 173.10 174.32 2dif n GLU 8 N 5.78 3.35 -4.06 2.90 -0.00 -1.26 -5.03 120.64 122.31 2dif n GLU 8 Ca -0.05 -4.00 -0.30 0.00 -0.00 0.00 0.00 57.16 52.80 2dif n GLU 8 Cb 0.48 -2.23 -0.07 0.00 -0.00 0.00 0.00 31.44 29.63 2dif n GLU 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dif s SER 9 N -3.37 5.46 -0.02 -1.84 0.15 -1.26 -5.10 113.70 107.71 2dif s SER 9 Ca 0.51 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 57.04 2dif s SER 9 Cb 0.42 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 2dif s SER 9 CO 0.03 0.17 0.19 -0.76 1.20 0.00 0.00 173.24 174.07 2dif s LEU 10 N -2.39 1.32 0.27 3.45 1.43 -1.26 -3.10 118.68 118.39 2dif s LEU 10 Ca 0.29 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.10 2dif s LEU 10 Cb -0.12 0.81 -0.13 0.00 0.03 0.00 0.00 46.19 46.78 2dif s LEU 10 CO 0.22 -0.31 1.47 0.00 0.23 0.00 0.00 176.35 177.96 2dif n PRO 12 N 2.00 0.49 0.00 0.00 -0.04 -1.26 -0.31 135.00 135.88 2dif n PRO 12 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2dif n PRO 12 Cb 0.34 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.97 0.00 0.11 0.54 6.02 -1.26 -4.83 117.38 116.99 2dif n GLN 13 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2dif n GLN 13 Cb 0.05 -0.27 0.18 0.00 1.02 0.00 0.00 30.24 31.22 2dif n GLN 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dif h HIS 14 N 0.00 0.00 -6.42 1.08 3.86 -1.96 -3.47 115.15 108.24 2dif h HIS 14 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 2dif h HIS 14 Cb 0.30 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 2dif h HIS 14 CO 0.00 0.00 -0.81 0.72 0.86 0.00 0.00 177.93 178.70 2dif n HIS 15 N -2.46 -1.99 -4.97 2.45 8.25 0.58 -4.85 115.22 112.22 2dif n HIS 15 Ca 0.03 0.84 -0.27 0.00 -0.26 0.00 0.00 57.72 58.06 2dif n HIS 15 Cb 0.48 -3.73 -0.16 0.00 1.12 0.00 0.00 29.99 27.70 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 -6.60 1.91 -0.34 -0.41 0.41 -1.26 -4.68 118.70 107.73 2dif s GLU 16 Ca 0.48 -0.71 -0.38 0.00 -0.41 0.00 0.00 54.97 53.96 2dif s GLU 16 Cb -0.25 -1.70 -0.16 0.00 -1.78 0.00 0.00 34.13 30.24 2dif s GLU 16 CO 0.86 0.33 1.24 0.00 -0.49 0.00 0.00 175.26 177.20 2dif n ALA 17 N 2.95 -1.45 -2.51 5.21 0.00 -1.26 -2.33 120.51 121.12 2dif n ALA 17 Ca -0.17 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 2dif n ALA 17 Cb 0.53 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 2.06 3.43 -0.44 0.00 1.43 -1.18 -4.33 118.68 119.64 2dif s LEU 18 Ca 0.84 -1.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2dif s LEU 18 Cb -1.20 -2.57 0.52 0.00 0.03 0.00 0.00 46.19 42.97 2dif s LEU 18 CO 0.64 -1.66 1.69 -1.20 0.23 0.00 0.00 176.35 176.06 2dif n SER 19 N 9.38 4.75 -3.63 2.29 7.64 -1.25 -4.84 113.62 127.96 2dif n SER 19 Ca 0.29 -3.75 -0.12 0.00 1.01 0.00 0.00 58.87 56.30 2dif n SER 19 Cb 0.50 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.50 0.29 -0.11 -3.43 1.43 -1.19 -3.92 118.68 108.26 2dif s LEU 20 Ca 0.55 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2dif s LEU 20 Cb 0.46 1.86 0.03 0.00 0.03 0.00 0.00 46.19 48.57 2dif s LEU 20 CO 0.03 -0.73 0.27 0.12 0.23 0.00 0.00 176.35 176.26 2dif s PHE 21 N -2.87 -0.32 -0.12 0.29 5.36 -0.26 -2.33 117.98 117.73 2dif s PHE 21 Ca -0.03 0.77 -0.18 0.00 -0.96 0.00 0.00 56.93 56.54 2dif s PHE 21 Cb -0.00 0.10 -0.04 0.00 -0.34 0.00 0.00 43.02 42.73 2dif s PHE 21 CO -0.05 -0.18 0.45 0.00 -1.46 0.00 0.00 175.22 173.99 2dif n TYR 23 N 3.62 0.12 -0.09 0.00 4.01 -0.59 -0.88 117.16 123.35 2dif n TYR 23 Ca -0.08 0.03 -0.17 0.00 -0.16 0.00 0.00 57.90 57.53 2dif n TYR 23 Cb 0.52 -0.43 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 2dif n TYR 23 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2dif n GLU 24 N -1.61 0.68 0.02 -0.72 4.07 -1.26 -4.47 120.64 117.34 2dif n GLU 24 Ca 0.06 0.15 0.05 0.00 -0.06 0.00 0.00 57.16 57.36 2dif n GLU 24 Cb 0.35 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 30.06 2dif n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2dif n ASP 25 N -3.21 0.47 -3.13 4.31 8.00 -1.25 -4.99 116.55 116.75 2dif n ASP 25 Ca -0.40 0.20 -0.21 0.00 0.71 0.00 0.00 54.79 55.09 2dif n ASP 25 Cb 1.03 0.92 0.07 0.00 -0.02 0.00 0.00 41.12 43.11 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 -2.62 -6.67 -4.28 -1.24 3.00 -0.06 -5.01 117.38 100.50 2dif n GLN 26 Ca -0.09 0.73 -0.19 0.00 -0.01 0.00 0.00 57.00 57.44 2dif n GLN 26 Cb 0.73 -5.43 -0.15 0.00 0.00 0.00 0.00 30.24 25.39 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2dif s GLU 27 N -6.08 0.78 -0.28 -1.09 -1.05 -1.24 -4.97 118.70 104.78 2dif s GLU 27 Ca 0.49 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.79 2dif s GLU 27 Cb -0.21 -0.75 -0.00 0.00 -0.44 0.00 0.00 34.13 32.72 2dif s GLU 27 CO 0.60 0.07 1.32 0.00 0.95 0.00 0.00 175.26 178.20 2dif s ALA 28 N 0.26 3.40 0.51 -0.84 0.00 -1.26 -2.85 121.76 120.97 2dif s ALA 28 Ca -0.03 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2dif s ALA 28 Cb -0.08 -3.76 -0.00 0.00 0.00 0.00 0.00 23.12 19.28 2dif s ALA 28 CO 0.00 -1.71 0.15 0.14 0.00 0.00 0.00 175.76 174.35 2dif s VAL 29 N 4.32 1.45 0.42 0.00 -7.23 -0.99 -4.99 120.40 113.39 2dif s VAL 29 Ca 0.57 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2dif s VAL 29 Cb -0.18 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2dif s VAL 29 CO 0.22 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 175.60 2dif h LEU 31 N 0.60 -0.08 0.05 0.00 -0.00 -1.88 -2.39 115.31 111.62 2dif h LEU 31 Ca -0.43 0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2dif h LEU 31 Cb 1.27 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 2dif h LEU 31 CO 0.50 -0.12 -0.03 0.40 -0.00 0.00 0.00 178.44 179.19 2dif h ILE 32 N 0.20 0.00 -0.61 0.15 2.04 -1.95 -3.18 117.51 114.16 2dif h ILE 32 Ca 0.48 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.41 2dif h ILE 32 Cb 0.90 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 2dif h ILE 32 CO -0.62 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.24 2dif n ALA 34 N -3.61 0.19 -0.26 0.00 0.00 -0.93 -0.20 120.51 115.70 2dif n ALA 34 Ca 0.04 0.92 -0.00 0.00 0.00 0.00 0.00 53.44 54.39 2dif n ALA 34 Cb 0.20 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -5.36 -0.36 0.34 0.00 2.08 0.33 -0.54 119.36 115.85 2dif n ILE 35 Ca 0.13 1.61 -0.13 0.00 0.56 0.00 0.00 62.75 64.92 2dif n ILE 35 Cb 0.42 -2.13 -0.06 0.00 -0.75 0.00 0.00 39.64 37.12 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2dif h SER 36 N 0.00 -0.74 -0.29 4.38 0.02 -0.72 -2.70 113.55 113.49 2dif h SER 36 Ca 0.24 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2dif h SER 36 Cb 0.41 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2dif h SER 36 CO -0.68 -0.49 -0.21 0.45 -1.14 0.00 0.00 176.83 174.76 2dif h HIS 37 N -0.97 -0.66 -1.00 3.45 3.86 -0.87 0.34 115.15 119.30 2dif h HIS 37 Ca -0.09 0.04 0.38 0.00 -1.16 0.00 0.00 60.37 59.54 2dif h HIS 37 Cb 0.67 0.33 -0.17 0.00 1.06 0.00 0.00 27.41 29.30 2dif h HIS 37 CO 0.05 -0.15 0.54 1.15 0.86 0.00 0.00 177.93 180.38 2dif h THR 38 N -0.05 0.11 -0.39 2.45 2.02 -0.89 1.52 112.91 117.69 2dif h THR 38 Ca 0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 2dif h THR 38 Cb 0.17 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 2dif h THR 38 CO -0.30 0.02 -0.06 -0.74 0.37 0.00 0.00 175.52 174.81 2dif h HIS 39 N 0.12 0.69 -0.28 3.16 2.76 -0.04 -2.31 115.15 119.25 2dif h HIS 39 Ca 0.80 -0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 58.76 2dif h HIS 39 Cb 2.02 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 30.72 2dif h HIS 39 CO -0.02 0.69 0.14 0.54 -1.30 0.00 0.00 177.93 177.98 2dif n ARG 40 N -4.21 1.72 -3.53 5.26 1.74 0.52 -4.82 116.66 113.32 2dif n ARG 40 Ca 0.02 -1.00 -0.22 0.00 -0.77 0.00 0.00 57.85 55.88 2dif n ARG 40 Cb 0.31 -1.51 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dif n ALA 41 N 0.05 -1.53 -2.90 7.54 0.00 -0.87 -4.99 120.51 117.81 2dif n ALA 41 Ca 0.16 0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 2dif n ALA 41 Cb 0.77 -4.49 -0.11 0.00 0.00 0.00 0.00 19.45 15.62 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 -3.33 3.09 0.05 0.00 3.76 -0.84 -4.98 115.29 113.03 2dif s HIS 42 Ca 0.39 -0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 2dif s HIS 42 Cb -0.17 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 2dif s HIS 42 CO 0.72 0.05 1.21 0.99 -0.85 0.00 0.00 174.74 176.86 2dif s THR 43 N 0.26 4.03 -0.02 1.30 2.01 -1.26 -3.68 115.64 118.28 2dif s THR 43 Ca -0.01 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.43 2dif s THR 43 Cb -0.13 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.47 2dif s THR 43 CO 0.02 0.10 0.03 -0.69 -0.69 0.00 0.00 174.62 173.39 2dif s VAL 44 N 1.19 -0.04 0.02 3.82 1.01 -1.26 -1.54 120.40 123.59 2dif s VAL 44 Ca 0.59 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2dif s VAL 44 Cb -0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2dif s VAL 44 CO 0.29 0.05 -0.03 0.68 0.00 0.00 0.00 175.10 176.09 2dif s VAL 45 N 0.68 0.12 0.29 2.92 -7.23 -0.79 -4.91 120.40 111.48 2dif s VAL 45 Ca -0.06 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 2dif s VAL 45 Cb -0.08 -0.25 -0.10 0.00 0.56 0.00 0.00 36.38 36.51 2dif s VAL 45 CO -0.02 -0.44 1.24 -2.16 -0.31 0.00 0.00 175.10 173.42 2dif s PRO 46 N -1.30 4.45 -0.23 4.82 0.04 -1.26 -1.11 135.00 140.41 2dif s PRO 46 Ca -0.14 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2dif s PRO 46 Cb -0.09 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2dif s PRO 46 CO -0.01 -0.08 1.25 -0.51 0.04 0.00 0.00 177.00 177.69 2dif s LEU 47 N -1.32 4.04 0.00 -3.56 1.02 -1.25 -3.74 118.68 113.86 2dif s LEU 47 Ca 0.49 1.44 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2dif s LEU 47 Cb -0.37 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.30 2dif s LEU 47 CO 0.46 -0.89 0.00 -0.24 0.02 0.00 0.00 176.35 175.70 2dif n SER 48 N 7.02 -0.76 -4.01 2.29 2.88 -1.26 -4.82 113.62 114.97 2dif n SER 48 Ca 0.14 0.38 -0.31 0.00 -1.33 0.00 0.00 58.87 57.75 2dif n SER 48 Cb 0.46 -0.82 -0.15 0.00 -0.75 0.00 0.00 64.21 62.95 2dif n SER 48 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dif s GLY 49 N -1.63 1.97 0.00 0.46 0.00 -1.25 -4.94 107.32 101.93 2dif s GLY 49 Ca 0.00 -2.60 0.15 0.00 0.00 0.00 0.00 44.72 42.28 2dif s GLY 49 CO 0.00 0.96 1.33 -1.55 0.00 0.00 0.00 173.10 173.84 2dif n PRO 50 N 4.14 0.49 -1.67 2.90 -0.04 -1.26 -4.66 135.00 134.90 2dif n PRO 50 Ca 0.04 0.00 -0.62 0.00 -0.04 0.00 0.00 63.50 62.88 2dif n PRO 50 Cb 0.41 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 2dif n PRO 50 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dif n SER 51 N -0.99 1.27 -4.19 3.54 7.64 -1.26 -4.94 113.62 114.69 2dif n SER 51 Ca 0.12 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.85 2dif n SER 51 Cb 0.05 -0.98 -0.17 0.00 -1.01 0.00 0.00 64.21 62.10 2dif n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dif s SER 52 N 2.22 2.72 0.00 6.43 1.04 -1.26 -5.04 113.70 119.81 2dif s SER 52 Ca 0.98 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2dif s SER 52 Cb -1.29 -0.98 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2dif s SER 52 CO 0.69 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.69