#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 5.40 0.17 1.61 0.01 -1.26 -4.93 113.70 114.70 2dif s SER 2 Ca 0.00 -1.31 -0.33 0.00 1.31 0.00 0.00 55.95 55.62 2dif s SER 2 Cb 0.00 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 2dif s SER 2 CO 0.00 -2.60 1.13 -1.20 0.41 0.00 0.00 173.24 170.98 2dif n SER 3 N 13.09 1.18 -0.97 2.44 7.64 -1.26 -4.62 113.62 131.11 2dif n SER 3 Ca 0.42 1.14 0.09 0.00 1.01 0.00 0.00 58.87 61.54 2dif n SER 3 Cb 0.47 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.96 -1.15 3.40 0.23 0.00 -1.26 -4.90 105.19 103.47 2dif n GLY 4 Ca 0.15 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 2dif n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dif s SER 5 N -5.06 3.15 -0.53 1.61 0.01 -1.26 -5.11 113.70 106.51 2dif s SER 5 Ca 0.00 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.37 2dif s SER 5 Cb 0.00 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.16 2dif s SER 5 CO 0.00 0.02 0.33 -0.44 0.41 0.00 0.00 173.24 173.56 2dif s SER 6 N -2.94 3.82 0.00 2.44 0.01 -1.26 -5.01 113.70 110.76 2dif s SER 6 Ca 0.22 -3.11 0.00 0.00 1.31 0.00 0.00 55.95 54.37 2dif s SER 6 Cb -0.06 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2dif s SER 6 CO 0.10 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2dif n GLY 7 N 2.92 3.48 0.11 3.44 0.00 -1.26 -4.78 105.19 109.09 2dif n GLY 7 Ca 0.14 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.72 2dif n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dif h GLU 8 N 0.00 0.00 -4.89 1.61 4.81 -1.99 -3.44 114.58 110.68 2dif h GLU 8 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 2dif h GLU 8 Cb 0.00 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.07 2dif h GLU 8 CO 0.00 0.34 -0.73 0.45 -0.73 0.00 0.00 179.01 178.34 2dif s SER 9 N -5.97 4.45 0.06 1.04 0.15 -1.26 -5.10 113.70 107.07 2dif s SER 9 Ca -0.00 -0.87 0.09 0.00 0.70 0.00 0.00 55.95 55.86 2dif s SER 9 Cb 0.08 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2dif s SER 9 CO 0.79 -0.14 -0.24 -0.76 1.20 0.00 0.00 173.24 174.09 2dif s LEU 10 N 1.34 2.20 0.26 3.45 1.43 -1.26 -2.37 118.68 123.72 2dif s LEU 10 Ca 0.00 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.20 2dif s LEU 10 Cb -0.17 -1.11 -0.13 0.00 0.03 0.00 0.00 46.19 44.81 2dif s LEU 10 CO -0.03 0.19 1.48 0.00 0.23 0.00 0.00 176.35 178.22 2dif n PRO 12 N 2.11 0.46 0.00 0.00 -0.04 -1.26 0.56 135.00 136.83 2dif n PRO 12 Ca 0.10 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2dif n PRO 12 Cb 0.33 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.03 0.00 0.04 0.54 1.13 -1.26 -4.82 117.38 111.99 2dif n GLN 13 Ca 0.11 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.19 2dif n GLN 13 Cb 0.06 -0.55 -0.07 0.00 0.11 0.00 0.00 30.24 29.79 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 -2.55 0.97 -3.66 1.08 8.25 -1.23 -4.97 115.22 113.11 2dif n HIS 14 Ca 0.00 0.32 -0.27 0.00 -0.26 0.00 0.00 57.72 57.51 2dif n HIS 14 Cb 0.33 -1.06 0.04 0.00 1.12 0.00 0.00 29.99 30.42 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 -2.45 -4.32 4.41 8.25 0.19 -4.87 115.22 113.58 2dif n HIS 15 Ca -0.08 0.87 -0.29 0.00 -0.26 0.00 0.00 57.72 57.96 2dif n HIS 15 Cb 0.79 -4.36 -0.11 0.00 1.12 0.00 0.00 29.99 27.43 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 -6.37 1.73 -0.32 -0.41 0.41 -1.26 -4.70 118.70 107.79 2dif s GLU 16 Ca 0.58 -1.24 -0.38 0.00 -0.41 0.00 0.00 54.97 53.52 2dif s GLU 16 Cb -0.28 -2.07 -0.14 0.00 -1.78 0.00 0.00 34.13 29.87 2dif s GLU 16 CO 0.72 0.47 1.98 0.00 -0.49 0.00 0.00 175.26 177.93 2dif n ALA 17 N 0.71 0.46 -2.09 5.21 0.00 -1.26 -2.79 120.51 120.75 2dif n ALA 17 Ca -0.15 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2dif n ALA 17 Cb 0.53 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 5.39 3.70 -0.01 0.00 1.43 -1.00 -4.60 118.68 123.59 2dif s LEU 18 Ca 1.05 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.61 2dif s LEU 18 Cb -0.99 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 41.83 2dif s LEU 18 CO 0.58 -1.46 1.10 -1.54 0.23 0.00 0.00 176.35 175.26 2dif n SER 19 N 9.23 2.38 -3.79 2.29 3.41 -1.25 -4.79 113.62 121.10 2dif n SER 19 Ca 0.20 -2.06 -0.12 0.00 -0.26 0.00 0.00 58.87 56.63 2dif n SER 19 Cb 0.46 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.22 2dif n SER 19 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dif s LEU 20 N -1.11 1.07 -0.06 1.04 1.43 -1.10 -3.25 118.68 116.68 2dif s LEU 20 Ca 0.10 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2dif s LEU 20 Cb 0.06 1.17 0.04 0.00 0.03 0.00 0.00 46.19 47.49 2dif s LEU 20 CO 0.06 -0.55 0.06 0.12 0.23 0.00 0.00 176.35 176.27 2dif s PHE 21 N -2.24 0.10 -0.11 0.29 2.19 0.87 -0.61 117.98 118.46 2dif s PHE 21 Ca -0.07 0.15 -0.30 0.00 0.33 0.00 0.00 56.93 57.04 2dif s PHE 21 Cb -0.02 -0.52 -0.03 0.00 -1.31 0.00 0.00 43.02 41.14 2dif s PHE 21 CO -0.02 -0.25 1.28 0.00 1.83 0.00 0.00 175.22 178.06 2dif h TYR 23 N 8.02 -0.58 -0.59 0.00 0.05 -1.41 0.60 116.97 123.06 2dif h TYR 23 Ca -0.31 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.52 2dif h TYR 23 Cb 1.13 0.19 -0.08 0.00 1.01 0.00 0.00 36.73 38.99 2dif h TYR 23 CO 0.78 -0.36 -0.42 1.49 -1.05 0.00 0.00 178.16 178.59 2dif h GLU 24 N -0.82 -0.09 0.00 4.88 4.57 -1.93 1.30 114.58 122.49 2dif h GLU 24 Ca -0.06 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2dif h GLU 24 Cb 0.48 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2dif h GLU 24 CO 0.11 -0.06 0.00 -0.25 -1.18 0.00 0.00 179.01 177.63 2dif n ASP 25 N -4.65 0.53 -3.94 1.04 8.00 -1.25 -4.87 116.55 111.42 2dif n ASP 25 Ca 0.00 0.68 -0.25 0.00 0.71 0.00 0.00 54.79 55.93 2dif n ASP 25 Cb 0.21 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 2dif n ASP 25 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2dif n GLN 26 N -2.14 -3.50 -3.73 -1.24 -0.06 0.45 -4.97 117.38 102.19 2dif n GLN 26 Ca 0.01 0.43 -0.14 0.00 -2.00 0.00 0.00 57.00 55.30 2dif n GLN 26 Cb 0.13 -4.64 -0.09 0.00 -4.06 0.00 0.00 30.24 21.58 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 -6.51 0.60 0.26 3.69 -1.05 -0.83 -5.02 118.70 109.83 2dif s GLU 27 Ca 0.05 0.26 -0.29 0.00 -0.15 0.00 0.00 54.97 54.83 2dif s GLU 27 Cb -0.02 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.85 2dif s GLU 27 CO 0.88 -0.13 1.23 0.00 0.95 0.00 0.00 175.26 178.20 2dif s ALA 28 N -0.47 3.47 0.08 -0.84 0.00 -1.26 -1.68 121.76 121.05 2dif s ALA 28 Ca -0.06 1.07 0.01 0.00 0.00 0.00 0.00 51.96 52.99 2dif s ALA 28 Cb -0.04 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2dif s ALA 28 CO 0.03 -0.44 -0.06 0.14 0.00 0.00 0.00 175.76 175.43 2dif s VAL 29 N -0.65 0.55 0.86 0.00 -7.23 0.22 -4.89 120.40 109.25 2dif s VAL 29 Ca 0.50 -1.77 -0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2dif s VAL 29 Cb -0.36 -1.47 0.18 0.00 0.56 0.00 0.00 36.38 35.29 2dif s VAL 29 CO 0.43 -0.83 1.17 0.00 -0.31 0.00 0.00 175.10 175.56 2dif h LEU 31 N -1.12 0.49 -0.69 0.00 6.46 -1.92 -2.40 115.31 116.13 2dif h LEU 31 Ca -0.39 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2dif h LEU 31 Cb 1.24 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 2dif h LEU 31 CO 0.36 0.39 0.42 0.40 -0.62 0.00 0.00 178.44 179.38 2dif h ILE 32 N 0.55 1.05 0.16 4.05 2.04 -1.98 -2.81 117.51 120.58 2dif h ILE 32 Ca 0.15 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2dif h ILE 32 Cb -0.02 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2dif h ILE 32 CO -0.03 0.15 -0.18 0.00 0.00 0.00 0.00 178.15 178.08 2dif n ALA 34 N -2.44 0.03 -0.27 0.00 0.00 -0.93 -0.36 120.51 116.54 2dif n ALA 34 Ca -0.07 0.73 -0.07 0.00 0.00 0.00 0.00 53.44 54.03 2dif n ALA 34 Cb 0.22 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -5.08 -0.43 0.17 0.00 5.41 -1.07 0.41 119.36 118.77 2dif n ILE 35 Ca 0.09 1.68 -0.14 0.00 1.00 0.00 0.00 62.75 65.38 2dif n ILE 35 Cb 0.31 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.08 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 -0.86 0.03 4.38 4.64 -0.86 -1.52 113.55 119.36 2dif h SER 36 Ca 0.10 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2dif h SER 36 Cb 0.26 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2dif h SER 36 CO -0.59 -0.43 -0.16 0.45 -0.87 0.00 0.00 176.83 175.23 2dif h HIS 37 N -0.61 -0.46 -0.66 4.77 3.86 -0.51 0.29 115.15 121.83 2dif h HIS 37 Ca 0.00 0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.42 2dif h HIS 37 Cb 0.58 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 2dif h HIS 37 CO -0.22 -0.18 0.83 1.79 0.86 0.00 0.00 177.93 181.01 2dif h THR 38 N -0.22 0.15 0.19 2.45 1.35 -0.02 0.79 112.91 117.60 2dif h THR 38 Ca -0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.53 2dif h THR 38 Cb 0.22 0.32 0.02 0.00 -1.73 0.00 0.00 68.15 66.98 2dif h THR 38 CO -0.09 0.00 -1.57 0.45 -0.25 0.00 0.00 175.52 174.06 2dif h HIS 39 N 0.00 0.74 -0.26 4.73 3.86 0.09 -3.30 115.15 121.01 2dif h HIS 39 Ca 0.32 -0.54 -0.10 0.00 -1.16 0.00 0.00 60.37 58.88 2dif h HIS 39 Cb 1.97 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 30.35 2dif h HIS 39 CO 0.00 1.54 0.13 0.54 0.86 0.00 0.00 177.93 181.01 2dif n ARG 40 N -3.60 1.65 -3.72 2.45 5.12 0.26 -4.83 116.66 114.00 2dif n ARG 40 Ca -0.19 -0.93 -0.26 0.00 -1.93 0.00 0.00 57.85 54.55 2dif n ARG 40 Cb 1.08 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.95 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 0.06 -1.45 -2.83 7.54 0.00 -0.96 -4.97 120.51 117.91 2dif n ALA 41 Ca 0.15 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 2dif n ALA 41 Cb 0.75 -4.43 -0.10 0.00 0.00 0.00 0.00 19.45 15.67 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 -3.36 3.22 -0.02 0.00 3.76 -0.44 -5.00 115.29 113.45 2dif s HIS 42 Ca 0.50 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.16 2dif s HIS 42 Cb -0.24 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 2dif s HIS 42 CO 0.78 0.20 1.10 0.99 -0.85 0.00 0.00 174.74 176.97 2dif s THR 43 N 0.10 4.47 -0.03 1.30 2.01 -1.26 -3.82 115.64 118.40 2dif s THR 43 Ca 0.04 1.77 0.01 0.00 0.31 0.00 0.00 61.69 63.81 2dif s THR 43 Cb -0.12 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2dif s THR 43 CO 0.01 0.07 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.31 2dif s VAL 44 N 1.57 0.26 0.12 3.82 1.01 -1.26 -1.07 120.40 124.84 2dif s VAL 44 Ca 0.54 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.62 2dif s VAL 44 Cb -0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2dif s VAL 44 CO 0.25 0.16 -0.19 0.68 0.00 0.00 0.00 175.10 175.99 2dif s VAL 45 N 0.91 1.68 0.47 2.92 -7.23 -0.93 -4.89 120.40 113.33 2dif s VAL 45 Ca -0.10 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.22 2dif s VAL 45 Cb -0.13 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.15 2dif s VAL 45 CO -0.01 -0.15 1.16 -2.16 -0.31 0.00 0.00 175.10 173.63 2dif s PRO 46 N -2.14 3.69 -0.10 4.82 0.04 -1.26 -0.09 135.00 139.96 2dif s PRO 46 Ca 0.08 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 2dif s PRO 46 Cb -0.09 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2dif s PRO 46 CO 0.05 -0.60 -0.15 1.28 0.04 0.00 0.00 177.00 177.62 2dif n LEU 47 N -0.62 1.18 -1.12 -3.56 7.99 -1.20 -4.39 117.00 115.28 2dif n LEU 47 Ca 0.08 0.40 -0.03 0.00 -0.01 0.00 0.00 56.01 56.45 2dif n LEU 47 Cb 0.49 -0.71 0.07 0.00 -0.11 0.00 0.00 43.42 43.16 2dif n LEU 47 CO 0.47 -0.44 0.57 -1.20 -1.51 0.00 0.00 177.39 175.28 2dif n SER 48 N -3.76 2.77 0.00 -1.43 7.64 -1.26 -4.95 113.62 112.63 2dif n SER 48 Ca -0.06 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2dif n SER 48 Cb 0.22 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 49 N 0.11 0.08 3.65 0.23 0.00 -1.26 -4.93 105.19 103.07 2dif n GLY 49 Ca 0.12 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 -4.60 4.00 0.14 1.61 0.04 -1.26 -4.92 135.00 130.00 2dif s PRO 50 Ca 0.00 1.84 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2dif s PRO 50 Cb 0.00 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2dif s PRO 50 CO 0.00 -1.04 -0.17 -1.12 0.04 0.00 0.00 177.00 174.71 2dif s SER 51 N 3.53 2.44 -0.09 6.66 0.01 -1.26 -5.15 113.70 119.83 2dif s SER 51 Ca 0.69 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2dif s SER 51 Cb -0.27 -0.13 0.08 0.00 0.21 0.00 0.00 66.02 65.92 2dif s SER 51 CO 0.27 -0.05 0.75 -0.44 0.41 0.00 0.00 173.24 174.18 2dif s SER 52 N -2.47 -0.60 0.00 2.44 0.01 -1.26 -5.20 113.70 106.61 2dif s SER 52 Ca 0.12 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2dif s SER 52 Cb -0.06 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2dif s SER 52 CO 0.05 -0.52 0.36 0.61 0.41 0.00 0.00 173.24 174.15