#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 6.01 -0.24 1.61 0.15 -1.26 -4.91 113.70 115.06 2dif s SER 2 Ca 0.00 -0.49 -0.27 0.00 0.70 0.00 0.00 55.95 55.89 2dif s SER 2 Cb 0.00 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.89 2dif s SER 2 CO 0.00 -1.92 1.08 -0.94 1.20 0.00 0.00 173.24 172.66 2dif s SER 3 N 4.90 -0.36 -0.43 5.45 1.04 -1.26 -5.08 113.70 117.96 2dif s SER 3 Ca 0.44 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.55 2dif s SER 3 Cb -0.07 0.56 0.41 0.00 0.10 0.00 0.00 66.02 67.02 2dif s SER 3 CO 0.11 -0.20 1.02 0.61 0.98 0.00 0.00 173.24 175.76 2dif n GLY 4 N 1.57 4.75 3.77 7.32 0.00 -1.26 -5.09 105.19 116.25 2dif n GLY 4 Ca -0.11 -2.36 -0.39 0.00 0.00 0.00 0.00 46.02 43.16 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 -3.35 6.25 -0.60 1.61 0.15 -1.26 -4.98 113.70 111.52 2dif s SER 5 Ca 0.43 2.58 -0.16 0.00 0.70 0.00 0.00 55.95 59.50 2dif s SER 5 Cb 0.39 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 62.21 2dif s SER 5 CO -0.12 -0.89 0.59 -0.44 1.20 0.00 0.00 173.24 173.58 2dif s SER 6 N -0.87 6.29 0.15 5.45 0.01 -1.26 -5.02 113.70 118.45 2dif s SER 6 Ca 0.59 -1.88 0.02 0.00 1.31 0.00 0.00 55.95 55.99 2dif s SER 6 Cb -0.36 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2dif s SER 6 CO 0.46 -0.86 0.09 0.61 0.41 0.00 0.00 173.24 173.95 2dif n GLY 7 N 5.06 3.65 3.63 3.44 0.00 -1.26 -5.14 105.19 114.56 2dif n GLY 7 Ca -0.08 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2dif n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dif n GLU 8 N -0.32 0.13 -4.07 1.61 1.02 -1.26 -5.03 120.64 112.73 2dif n GLU 8 Ca 0.01 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.03 2dif n GLU 8 Cb 0.25 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.33 2dif n GLU 8 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dif s SER 9 N -2.02 4.87 -0.02 1.62 0.01 -1.26 -5.07 113.70 111.84 2dif s SER 9 Ca 0.70 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 57.31 2dif s SER 9 Cb -0.29 -0.86 0.02 0.00 0.21 0.00 0.00 66.02 65.09 2dif s SER 9 CO 0.54 -0.24 0.03 -0.76 0.41 0.00 0.00 173.24 173.22 2dif s LEU 10 N -3.85 1.44 0.08 2.44 1.43 -1.26 -2.40 118.68 116.56 2dif s LEU 10 Ca 0.37 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 2dif s LEU 10 Cb -0.04 0.01 -0.15 0.00 0.03 0.00 0.00 46.19 46.04 2dif s LEU 10 CO 0.23 -0.07 0.66 0.00 0.23 0.00 0.00 176.35 177.40 2dif n PRO 12 N 1.04 0.07 0.00 0.00 -0.04 -1.26 0.16 135.00 134.96 2dif n PRO 12 Ca 0.16 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2dif n PRO 12 Cb 0.14 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.43 0.00 0.05 0.54 1.13 -1.26 -4.75 117.38 111.65 2dif n GLN 13 Ca 0.05 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.23 2dif n GLN 13 Cb 0.15 -0.74 0.22 0.00 0.11 0.00 0.00 30.24 29.98 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 -2.45 0.45 -2.74 1.08 8.25 -1.24 -4.93 115.22 113.64 2dif n HIS 14 Ca 0.00 0.13 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 2dif n HIS 14 Cb 0.38 -0.59 -0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.98 -1.58 -4.90 4.41 -0.00 0.12 -4.84 115.22 106.45 2dif n HIS 15 Ca 0.04 0.16 -0.33 0.00 -0.00 0.00 0.00 57.72 57.59 2dif n HIS 15 Cb 0.42 -2.82 -0.13 0.00 -0.00 0.00 0.00 29.99 27.45 2dif n HIS 15 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2dif s GLU 16 N -5.35 2.50 0.18 -0.41 0.41 -1.26 -4.63 118.70 110.14 2dif s GLU 16 Ca 0.13 -0.70 -0.22 0.00 -0.41 0.00 0.00 54.97 53.78 2dif s GLU 16 Cb -0.07 -2.37 -0.13 0.00 -1.78 0.00 0.00 34.13 29.77 2dif s GLU 16 CO 0.16 0.62 0.37 0.00 -0.49 0.00 0.00 175.26 175.92 2dif n ALA 17 N 2.32 -2.52 -3.64 5.21 0.00 -1.26 -0.81 120.51 119.81 2dif n ALA 17 Ca -0.17 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 2dif n ALA 17 Cb 0.52 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 2.54 5.54 0.00 0.00 1.43 -1.01 -4.25 118.68 122.92 2dif s LEU 18 Ca 0.51 -2.92 0.16 0.00 -1.03 0.00 0.00 54.13 50.85 2dif s LEU 18 Cb -0.71 -1.92 0.46 0.00 0.03 0.00 0.00 46.19 44.05 2dif s LEU 18 CO 0.45 -0.38 1.39 -0.24 0.23 0.00 0.00 176.35 177.80 2dif n SER 19 N 3.45 2.81 -4.20 2.29 2.88 -1.26 -4.87 113.62 114.72 2dif n SER 19 Ca 0.10 -2.00 -0.12 0.00 -1.33 0.00 0.00 58.87 55.52 2dif n SER 19 Cb 0.39 -0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.00 2.44 -0.05 2.46 1.43 -1.18 -3.04 118.68 119.74 2dif s LEU 20 Ca 0.35 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2dif s LEU 20 Cb 0.18 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.29 2dif s LEU 20 CO 0.24 -0.45 0.11 0.12 0.23 0.00 0.00 176.35 176.60 2dif s PHE 21 N -3.55 -0.12 -0.31 0.29 5.36 -0.19 -2.07 117.98 117.39 2dif s PHE 21 Ca 0.15 0.36 -0.19 0.00 -0.96 0.00 0.00 56.93 56.30 2dif s PHE 21 Cb 0.05 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 2dif s PHE 21 CO -0.02 -0.12 0.55 0.00 -1.46 0.00 0.00 175.22 174.17 2dif h TYR 23 N 8.27 -0.29 -0.79 0.00 0.05 -1.78 0.14 116.97 122.57 2dif h TYR 23 Ca -0.28 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.66 2dif h TYR 23 Cb 1.13 0.10 -0.10 0.00 1.01 0.00 0.00 36.73 38.86 2dif h TYR 23 CO 0.74 0.08 0.32 0.93 -1.05 0.00 0.00 178.16 179.18 2dif h GLU 24 N -0.73 0.42 -0.16 4.88 5.08 -1.94 0.57 114.58 122.70 2dif h GLU 24 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dif h GLU 24 Cb 0.49 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2dif h GLU 24 CO 0.05 0.28 0.00 -0.25 -1.00 0.00 0.00 179.01 178.09 2dif n ASP 25 N -5.02 1.67 -3.40 1.42 9.92 -1.21 -4.91 116.55 115.02 2dif n ASP 25 Ca 0.16 -1.70 -0.24 0.00 -0.53 0.00 0.00 54.79 52.48 2dif n ASP 25 Cb 0.47 -0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 40.81 2dif n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dif n GLN 26 N 0.32 -1.38 -4.17 -1.24 3.00 0.20 -4.85 117.38 109.26 2dif n GLN 26 Ca 0.16 0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 57.13 2dif n GLN 26 Cb 0.33 -3.84 -0.10 0.00 0.00 0.00 0.00 30.24 26.63 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 -5.49 0.85 0.19 -1.09 -1.05 -0.64 -5.00 118.70 106.47 2dif s GLU 27 Ca 0.47 -1.36 -0.23 0.00 -0.15 0.00 0.00 54.97 53.70 2dif s GLU 27 Cb -0.27 -0.14 -0.08 0.00 -0.44 0.00 0.00 34.13 33.20 2dif s GLU 27 CO 0.57 -0.06 0.75 0.00 0.95 0.00 0.00 175.26 177.47 2dif s ALA 28 N -3.69 3.43 0.14 -0.84 0.00 -1.26 -0.39 121.76 119.15 2dif s ALA 28 Ca 0.14 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2dif s ALA 28 Cb 0.06 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 2dif s ALA 28 CO -0.04 0.31 -0.01 0.14 0.00 0.00 0.00 175.76 176.16 2dif s VAL 29 N -1.30 0.56 0.47 0.00 -7.23 -0.88 -4.85 120.40 107.17 2dif s VAL 29 Ca 0.38 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.69 2dif s VAL 29 Cb -0.20 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2dif s VAL 29 CO 0.24 -0.60 0.64 0.00 -0.31 0.00 0.00 175.10 175.06 2dif h LEU 31 N 0.49 -0.53 0.13 0.00 6.46 -1.90 -1.67 115.31 118.29 2dif h LEU 31 Ca -0.38 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2dif h LEU 31 Cb 1.28 0.38 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 2dif h LEU 31 CO 0.44 -0.20 -0.07 0.40 -0.62 0.00 0.00 178.44 178.39 2dif h ILE 32 N 0.03 0.00 -0.74 4.05 2.04 -1.94 -3.05 117.51 117.89 2dif h ILE 32 Ca 0.33 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.33 2dif h ILE 32 Cb 0.52 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 2dif h ILE 32 CO -0.65 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.29 2dif h ALA 34 N 1.38 0.00 -0.86 0.00 0.00 -1.21 0.11 119.26 118.68 2dif h ALA 34 Ca 0.33 0.18 0.29 0.00 0.00 0.00 0.00 54.91 55.71 2dif h ALA 34 Cb 0.52 0.80 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2dif h ALA 34 CO -0.75 -0.66 0.20 -0.89 0.00 0.00 0.00 179.25 177.15 2dif n ILE 35 N -5.44 -0.36 -0.03 0.00 5.41 0.25 0.05 119.36 119.24 2dif n ILE 35 Ca 0.05 1.84 -0.12 0.00 1.00 0.00 0.00 62.75 65.51 2dif n ILE 35 Cb 0.36 -2.80 -0.10 0.00 -0.71 0.00 0.00 39.64 36.39 2dif n ILE 35 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2dif h SER 36 N 0.00 -0.03 0.00 4.38 4.64 -0.87 -3.04 113.55 118.63 2dif h SER 36 Ca 0.61 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2dif h SER 36 Cb 1.43 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2dif h SER 36 CO -0.75 0.69 0.00 1.41 -0.87 0.00 0.00 176.83 177.31 2dif n HIS 37 N -4.76 0.00 -0.55 4.77 8.25 0.11 0.18 115.22 123.22 2dif n HIS 37 Ca -0.09 0.00 0.44 0.00 -0.26 0.00 0.00 57.72 57.82 2dif n HIS 37 Cb 0.34 -0.25 0.74 0.00 1.12 0.00 0.00 29.99 31.94 2dif n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dif h THR 38 N 0.00 0.07 -0.06 1.59 1.03 -0.80 1.80 112.91 116.54 2dif h THR 38 Ca 0.00 -0.01 -0.21 0.00 -0.01 0.00 0.00 66.41 66.18 2dif h THR 38 Cb 0.00 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.12 2dif h THR 38 CO 0.00 0.01 -0.82 0.45 -0.01 0.00 0.00 175.52 175.14 2dif h HIS 39 N 0.03 0.70 -0.17 0.00 3.86 -1.28 -3.04 115.15 115.25 2dif h HIS 39 Ca 0.86 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 2dif h HIS 39 Cb 3.10 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 31.48 2dif h HIS 39 CO -0.00 1.13 0.00 0.54 0.86 0.00 0.00 177.93 180.46 2dif n ARG 40 N -3.83 1.98 -2.97 2.45 5.12 0.60 -4.83 116.66 115.18 2dif n ARG 40 Ca -0.06 -0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 54.91 2dif n ARG 40 Cb 0.76 -1.62 0.03 0.00 -1.16 0.00 0.00 32.46 30.48 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 0.16 -0.58 -3.05 7.54 0.00 -0.84 -5.02 120.51 118.72 2dif n ALA 41 Ca 0.08 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 2dif n ALA 41 Cb 0.46 -2.65 -0.13 0.00 0.00 0.00 0.00 19.45 17.12 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 -3.14 2.96 0.30 0.00 3.76 -0.58 -4.97 115.29 113.63 2dif s HIS 42 Ca 0.25 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.40 2dif s HIS 42 Cb -0.11 -1.95 -0.11 0.00 1.11 0.00 0.00 32.58 31.51 2dif s HIS 42 CO 0.32 -0.15 1.58 0.99 -0.85 0.00 0.00 174.74 176.63 2dif s THR 43 N 0.52 2.10 -0.14 1.30 2.01 -1.26 -3.05 115.64 117.11 2dif s THR 43 Ca -0.05 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 2dif s THR 43 Cb -0.15 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.38 2dif s THR 43 CO 0.03 0.01 0.30 -0.69 -0.69 0.00 0.00 174.62 173.59 2dif s VAL 44 N -0.08 -0.42 0.04 3.82 1.01 -1.26 -2.69 120.40 120.82 2dif s VAL 44 Ca 0.62 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.87 2dif s VAL 44 Cb -0.47 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2dif s VAL 44 CO 0.49 0.10 -0.08 0.68 0.00 0.00 0.00 175.10 176.28 2dif s VAL 45 N 2.33 0.61 0.47 2.92 -7.23 -0.83 -4.93 120.40 113.73 2dif s VAL 45 Ca -0.01 -1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 2dif s VAL 45 Cb -0.12 -0.65 -0.07 0.00 0.56 0.00 0.00 36.38 36.10 2dif s VAL 45 CO -0.10 -0.32 1.16 -2.16 -0.31 0.00 0.00 175.10 173.38 2dif s PRO 46 N -1.48 3.71 -0.06 4.82 0.04 -1.26 -1.02 135.00 139.76 2dif s PRO 46 Ca -0.08 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 2dif s PRO 46 Cb -0.09 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2dif s PRO 46 CO 0.01 -0.59 -0.05 -0.07 0.04 0.00 0.00 177.00 176.34 2dif h LEU 47 N 1.95 0.00 -3.06 -3.56 4.07 -1.87 -3.38 115.31 109.46 2dif h LEU 47 Ca -0.49 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.22 2dif h LEU 47 Cb 1.25 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.86 2dif h LEU 47 CO 0.60 0.31 0.32 -1.54 -1.08 0.00 0.00 178.44 177.05 2dif n SER 48 N -3.37 4.40 0.00 -0.43 3.41 -1.26 -4.99 113.62 111.37 2dif n SER 48 Ca -0.02 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 2dif n SER 48 Cb 0.08 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dif n GLY 49 N 0.03 -1.37 3.73 5.00 0.00 -1.26 -4.88 105.19 106.45 2dif n GLY 49 Ca 0.26 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.23 4.39 -0.68 1.61 0.04 -1.26 -4.84 135.00 133.02 2dif s PRO 50 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2dif s PRO 50 Cb 0.00 -3.21 0.17 0.00 0.04 0.00 0.00 34.50 31.51 2dif s PRO 50 CO 0.00 -0.27 0.50 0.45 0.04 0.00 0.00 177.00 177.73 2dif s SER 51 N 0.44 5.33 -0.05 6.66 0.15 -1.26 -5.06 113.70 119.91 2dif s SER 51 Ca 0.57 -3.07 0.03 0.00 0.70 0.00 0.00 55.95 54.18 2dif s SER 51 Cb -0.36 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2dif s SER 51 CO 0.37 -0.32 -0.12 -0.55 1.20 0.00 0.00 173.24 173.82 2dif s SER 52 N 0.41 4.22 0.00 5.45 0.15 -1.26 -5.22 113.70 117.44 2dif s SER 52 Ca 0.19 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dif s SER 52 Cb -0.17 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2dif s SER 52 CO -0.05 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.34