#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 6.46 0.82 1.61 0.01 -1.26 -5.06 113.70 116.29 2dif s SER 2 Ca 0.00 0.50 -0.16 0.00 1.31 0.00 0.00 55.95 57.60 2dif s SER 2 Cb 0.00 -2.06 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 2dif s SER 2 CO 0.00 0.21 -0.20 -1.20 0.41 0.00 0.00 173.24 172.47 2dif n SER 3 N 0.83 -3.91 0.00 2.44 7.64 -1.26 -4.89 113.62 114.46 2dif n SER 3 Ca -0.09 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2dif n SER 3 Cb 0.52 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 2.59 -0.11 3.06 0.23 0.00 -1.26 -5.12 105.19 104.59 2dif n GLY 4 Ca 0.04 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 5.01 -0.19 1.61 0.15 -1.26 -5.07 113.70 113.94 2dif s SER 5 Ca 0.00 -2.66 -0.22 0.00 0.70 0.00 0.00 55.95 53.77 2dif s SER 5 Cb 0.00 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2dif s SER 5 CO 0.00 -0.38 0.70 -0.55 1.20 0.00 0.00 173.24 174.21 2dif s SER 6 N 0.74 6.77 0.00 5.45 0.15 -1.26 -4.48 113.70 121.06 2dif s SER 6 Ca 0.15 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dif s SER 6 Cb -0.22 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dif s SER 6 CO -0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2dif n GLY 7 N 3.71 1.66 3.81 9.45 0.00 -1.26 -5.09 105.19 117.47 2dif n GLY 7 Ca 0.01 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2dif n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dif s GLU 8 N 0.00 4.11 0.22 1.61 2.02 -1.26 -5.01 118.70 120.40 2dif s GLU 8 Ca 0.00 0.59 -0.22 0.00 0.02 0.00 0.00 54.97 55.36 2dif s GLU 8 Cb 0.00 -3.26 0.06 0.00 0.10 0.00 0.00 34.13 31.04 2dif s GLU 8 CO 0.00 0.59 0.94 -1.12 0.02 0.00 0.00 175.26 175.70 2dif s SER 9 N -0.87 -0.08 -0.05 -0.19 0.01 -1.26 -4.99 113.70 106.28 2dif s SER 9 Ca 0.27 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 56.92 2dif s SER 9 Cb -0.18 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 2dif s SER 9 CO 0.16 -1.12 -0.24 -0.76 0.41 0.00 0.00 173.24 171.68 2dif s LEU 10 N -3.15 2.11 0.19 2.44 1.43 -1.26 -1.04 118.68 119.40 2dif s LEU 10 Ca 0.17 -0.48 -0.32 0.00 -1.03 0.00 0.00 54.13 52.46 2dif s LEU 10 Cb -0.03 -1.38 -0.15 0.00 0.03 0.00 0.00 46.19 44.66 2dif s LEU 10 CO 0.06 0.27 1.22 0.00 0.23 0.00 0.00 176.35 178.12 2dif n PRO 12 N 1.83 0.44 0.00 0.00 -0.04 -1.26 0.89 135.00 136.86 2dif n PRO 12 Ca 0.14 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2dif n PRO 12 Cb 0.26 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.05 0.01 0.00 0.54 1.13 -1.26 -4.80 117.38 111.95 2dif n GLN 13 Ca 0.11 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.28 2dif n GLN 13 Cb 0.06 -0.75 -0.05 0.00 0.11 0.00 0.00 30.24 29.62 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 -2.00 0.03 -3.28 1.08 8.25 -1.22 -4.96 115.22 113.12 2dif n HIS 14 Ca 0.00 0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 2dif n HIS 14 Cb 0.25 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.61 -1.67 -4.61 4.41 8.25 0.26 -4.81 115.22 115.43 2dif n HIS 15 Ca 0.03 0.32 -0.34 0.00 -0.26 0.00 0.00 57.72 57.47 2dif n HIS 15 Cb 0.36 -1.91 -0.12 0.00 1.12 0.00 0.00 29.99 29.44 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 -5.89 2.99 -0.31 -0.41 0.41 -1.26 -4.63 118.70 109.60 2dif s GLU 16 Ca 0.34 -0.56 -0.38 0.00 -0.41 0.00 0.00 54.97 53.95 2dif s GLU 16 Cb -0.19 -2.65 -0.17 0.00 -1.78 0.00 0.00 34.13 29.34 2dif s GLU 16 CO 0.41 0.53 1.24 0.00 -0.49 0.00 0.00 175.26 176.95 2dif n ALA 17 N 2.62 -1.72 -2.72 5.21 0.00 -1.26 -2.76 120.51 119.88 2dif n ALA 17 Ca -0.18 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 2dif n ALA 17 Cb 0.53 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 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 1.85 4.19 -0.47 0.00 1.43 -0.21 -4.33 118.68 121.14 2dif s LEU 18 Ca 0.86 -1.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2dif s LEU 18 Cb -1.22 -2.50 0.65 0.00 0.03 0.00 0.00 46.19 43.15 2dif s LEU 18 CO 0.64 -1.30 1.93 -0.24 0.23 0.00 0.00 176.35 177.61 2dif n SER 19 N 7.83 4.10 -3.78 2.29 2.88 -1.26 -4.69 113.62 120.98 2dif n SER 19 Ca 0.30 -3.63 -0.10 0.00 -1.33 0.00 0.00 58.87 54.11 2dif n SER 19 Cb 0.50 -0.85 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 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 -3.35 0.56 -0.16 2.46 1.43 -1.20 -3.68 118.68 114.74 2dif s LEU 20 Ca 0.58 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2dif s LEU 20 Cb 0.48 1.68 0.07 0.00 0.03 0.00 0.00 46.19 48.45 2dif s LEU 20 CO 0.10 -0.92 0.35 0.12 0.23 0.00 0.00 176.35 176.23 2dif s PHE 21 N -3.88 -0.59 -0.18 0.29 2.19 -0.28 -2.76 117.98 112.77 2dif s PHE 21 Ca 0.09 1.23 -0.27 0.00 0.33 0.00 0.00 56.93 58.31 2dif s PHE 21 Cb 0.02 0.16 -0.01 0.00 -1.31 0.00 0.00 43.02 41.88 2dif s PHE 21 CO -0.05 -0.39 0.92 0.00 1.83 0.00 0.00 175.22 177.53 2dif h TYR 23 N 7.36 0.05 0.22 0.00 0.05 -1.64 0.45 116.97 123.45 2dif h TYR 23 Ca -0.26 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.51 2dif h TYR 23 Cb 1.11 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.80 2dif h TYR 23 CO 0.73 0.63 -0.50 0.93 -1.05 0.00 0.00 178.16 178.89 2dif h GLU 24 N -0.55 -0.78 0.00 4.88 4.39 -1.93 -1.69 114.58 118.90 2dif h GLU 24 Ca -0.00 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2dif h GLU 24 Cb 0.62 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2dif h GLU 24 CO 0.01 -0.52 -0.27 -0.44 -1.16 0.00 0.00 179.01 176.63 2dif h ASP 25 N -0.80 0.00 -2.54 1.42 5.19 -1.90 -3.47 116.42 114.31 2dif h ASP 25 Ca -0.02 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.18 2dif h ASP 25 Cb 0.78 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.32 2dif h ASP 25 CO -0.22 0.27 -0.31 1.67 -3.12 0.00 0.00 179.24 177.52 2dif n GLN 26 N -3.88 -2.54 -4.34 3.56 -0.06 0.11 -5.03 117.38 105.21 2dif n GLN 26 Ca -0.02 0.47 -0.19 0.00 -2.00 0.00 0.00 57.00 55.27 2dif n GLN 26 Cb 0.35 -4.43 -0.09 0.00 -4.06 0.00 0.00 30.24 22.01 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 -5.13 1.59 -0.24 3.69 -1.05 -0.97 -5.01 118.70 111.59 2dif s GLU 27 Ca 0.16 -1.91 -0.09 0.00 -0.15 0.00 0.00 54.97 52.97 2dif s GLU 27 Cb -0.07 -0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.43 2dif s GLU 27 CO 0.19 -0.43 0.13 0.00 0.95 0.00 0.00 175.26 176.10 2dif s ALA 28 N -3.60 3.45 0.41 -0.84 0.00 -1.26 -1.20 121.76 118.73 2dif s ALA 28 Ca 0.35 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2dif s ALA 28 Cb 0.05 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 2dif s ALA 28 CO 0.17 -0.30 0.01 0.14 0.00 0.00 0.00 175.76 175.78 2dif s VAL 29 N 1.27 1.95 0.44 0.00 -7.23 -1.11 -4.96 120.40 110.75 2dif s VAL 29 Ca 0.06 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2dif s VAL 29 Cb -0.14 -2.96 0.08 0.00 0.56 0.00 0.00 36.38 33.91 2dif s VAL 29 CO 0.05 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.45 2dif h LEU 31 N 0.00 -0.71 -0.92 0.00 6.46 -1.87 -2.02 115.31 116.26 2dif h LEU 31 Ca -0.20 0.02 0.26 0.00 -0.12 0.00 0.00 57.88 57.84 2dif h LEU 31 Cb 0.90 0.18 -0.16 0.00 -0.73 0.00 0.00 40.66 40.85 2dif h LEU 31 CO 0.28 -0.46 0.17 0.40 -0.62 0.00 0.00 178.44 178.20 2dif h ILE 32 N -0.92 0.18 0.15 4.05 5.03 -1.97 0.14 117.51 124.18 2dif h ILE 32 Ca -0.09 -0.04 -0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2dif h ILE 32 Cb 0.64 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.49 2dif h ILE 32 CO 0.14 0.02 -0.10 0.00 -0.68 0.00 0.00 178.15 177.53 2dif n ALA 34 N -2.26 0.23 -0.41 0.00 0.00 0.50 0.10 120.51 118.67 2dif n ALA 34 Ca -0.08 0.81 -0.08 0.00 0.00 0.00 0.00 53.44 54.09 2dif n ALA 34 Cb 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 2dif n ALA 34 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dif h ILE 35 N 0.00 0.00 0.52 0.00 2.04 -1.46 0.55 117.51 119.16 2dif h ILE 35 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.22 2dif h ILE 35 Cb 0.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2dif h ILE 35 CO -0.75 0.00 -0.38 -1.28 0.00 0.00 0.00 178.15 175.74 2dif h SER 36 N -0.00 -0.99 0.02 1.72 0.87 -0.49 -1.50 113.55 113.17 2dif h SER 36 Ca 0.22 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2dif h SER 36 Cb 0.48 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2dif h SER 36 CO -0.96 -0.57 -0.06 0.45 -0.53 0.00 0.00 176.83 175.17 2dif h HIS 37 N -0.88 -0.17 -1.52 2.24 3.86 -0.97 0.24 115.15 117.95 2dif h HIS 37 Ca -0.06 0.00 0.47 0.00 -1.16 0.00 0.00 60.37 59.63 2dif h HIS 37 Cb 0.74 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.17 2dif h HIS 37 CO -0.14 -0.07 1.04 1.79 0.86 0.00 0.00 177.93 181.41 2dif h THR 38 N -0.09 0.11 -0.01 2.45 1.35 -0.01 1.34 112.91 118.07 2dif h THR 38 Ca -0.00 -0.02 -0.25 0.00 -0.55 0.00 0.00 66.41 65.59 2dif h THR 38 Cb 0.08 0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.58 2dif h THR 38 CO -0.03 0.01 -0.99 -0.74 -0.25 0.00 0.00 175.52 173.52 2dif h HIS 39 N 0.05 0.87 -0.02 4.73 6.17 -0.13 -3.08 115.15 123.74 2dif h HIS 39 Ca 0.83 -0.47 0.00 0.00 0.71 0.00 0.00 60.37 61.44 2dif h HIS 39 Cb 2.94 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 32.77 2dif h HIS 39 CO -0.00 1.30 0.00 0.54 0.71 0.00 0.00 177.93 180.48 2dif n ARG 40 N -3.81 1.06 -2.97 5.26 1.74 0.45 -4.83 116.66 113.55 2dif n ARG 40 Ca -0.09 -0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.81 2dif n ARG 40 Cb 0.86 -1.18 0.04 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.30 -0.75 -2.69 7.54 0.00 -0.73 -5.03 120.51 118.55 2dif n ALA 41 Ca 0.01 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 2dif n ALA 41 Cb 0.10 -2.66 -0.10 0.00 0.00 0.00 0.00 19.45 16.80 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 -3.17 3.16 0.17 0.00 3.76 -0.70 -4.99 115.29 113.52 2dif s HIS 42 Ca 0.22 0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 2dif s HIS 42 Cb -0.10 -1.80 -0.07 0.00 1.11 0.00 0.00 32.58 31.72 2dif s HIS 42 CO 0.37 0.45 1.02 0.99 -0.85 0.00 0.00 174.74 176.72 2dif s THR 43 N -0.83 4.13 -0.16 1.30 2.01 -1.26 -3.90 115.64 116.92 2dif s THR 43 Ca 0.13 1.87 -0.11 0.00 0.31 0.00 0.00 61.69 63.88 2dif s THR 43 Cb -0.11 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.26 2dif s THR 43 CO 0.02 0.34 0.41 -0.69 -0.69 0.00 0.00 174.62 174.01 2dif s VAL 44 N -0.36 -0.02 0.04 3.82 1.01 -1.26 -1.79 120.40 121.84 2dif s VAL 44 Ca 0.47 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.52 2dif s VAL 44 Cb -0.27 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2dif s VAL 44 CO 0.33 0.02 -0.07 0.68 0.00 0.00 0.00 175.10 176.06 2dif s VAL 45 N 0.92 0.47 0.25 2.92 -7.23 -0.92 -4.90 120.40 111.91 2dif s VAL 45 Ca -0.06 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 2dif s VAL 45 Cb -0.06 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.24 2dif s VAL 45 CO -0.07 -0.37 1.27 -2.16 -0.31 0.00 0.00 175.10 173.45 2dif s PRO 46 N -1.48 4.43 -0.24 4.82 0.04 -1.26 -1.12 135.00 140.18 2dif s PRO 46 Ca -0.10 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2dif s PRO 46 Cb -0.10 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 2dif s PRO 46 CO 0.00 -0.15 1.23 -0.51 0.04 0.00 0.00 177.00 177.61 2dif s LEU 47 N -0.82 4.03 0.00 -3.56 1.02 -1.24 -3.72 118.68 114.38 2dif s LEU 47 Ca 0.52 1.39 0.00 0.00 0.02 0.00 0.00 54.13 56.06 2dif s LEU 47 Cb -0.36 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.31 2dif s LEU 47 CO 0.43 -0.89 0.00 -1.54 0.02 0.00 0.00 176.35 174.37 2dif n SER 48 N 6.99 -0.77 -4.13 2.29 3.41 -1.26 -4.85 113.62 115.29 2dif n SER 48 Ca 0.14 0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 2dif n SER 48 Cb 0.46 -0.86 -0.17 0.00 -0.26 0.00 0.00 64.21 63.38 2dif n SER 48 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dif s GLY 49 N -1.73 1.15 0.10 5.00 0.00 -1.24 -5.11 107.32 105.49 2dif s GLY 49 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 44.72 43.61 2dif s GLY 49 CO 0.00 -0.08 1.37 2.56 0.00 0.00 0.00 173.10 176.95 2dif s PRO 50 N 0.60 4.33 1.15 2.90 0.04 -1.26 -4.61 135.00 138.15 2dif s PRO 50 Ca -0.14 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 2dif s PRO 50 Cb -0.17 -3.27 0.26 0.00 0.04 0.00 0.00 34.50 31.37 2dif s PRO 50 CO 0.04 -0.42 1.05 -1.54 0.04 0.00 0.00 177.00 176.17 2dif s SER 51 N 1.13 1.26 -0.13 6.66 1.04 -1.26 -5.07 113.70 117.32 2dif s SER 51 Ca 0.64 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.94 2dif s SER 51 Cb -0.36 -1.82 0.13 0.00 0.10 0.00 0.00 66.02 64.07 2dif s SER 51 CO 0.30 -3.98 1.02 -0.94 0.98 0.00 0.00 173.24 170.62 2dif s SER 52 N -3.11 -0.31 0.00 7.02 1.04 -1.26 -5.23 113.70 111.86 2dif s SER 52 Ca 0.68 0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2dif s SER 52 Cb -0.19 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dif s SER 52 CO 0.60 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.04