#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dif n SER 2 N 0.00 -4.37 -3.70 1.61 2.88 -1.26 -4.94 113.62 103.84 2dif n SER 2 Ca 0.00 -0.73 -0.25 0.00 -1.33 0.00 0.00 58.87 56.56 2dif n SER 2 Cb 0.00 -4.20 0.21 0.00 -0.75 0.00 0.00 64.21 59.47 2dif n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dif n SER 3 N -2.92 -3.13 -1.46 -3.46 7.64 -1.26 -4.81 113.62 104.21 2dif n SER 3 Ca -0.04 -0.47 0.14 0.00 1.01 0.00 0.00 58.87 59.51 2dif n SER 3 Cb 0.57 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 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 2.07 -3.37 3.42 0.23 0.00 -1.26 -4.86 105.19 101.41 2dif n GLY 4 Ca 0.07 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -6.95 4.68 -0.81 1.61 1.04 -1.26 -5.06 113.70 106.95 2dif s SER 5 Ca 0.00 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.06 2dif s SER 5 Cb 0.00 -1.80 0.21 0.00 0.10 0.00 0.00 66.02 64.54 2dif s SER 5 CO 0.00 0.06 0.73 -0.55 0.98 0.00 0.00 173.24 174.46 2dif s SER 6 N 1.02 6.59 -0.49 7.02 0.15 -1.26 -4.97 113.70 121.78 2dif s SER 6 Ca 0.01 -2.72 0.03 0.00 0.70 0.00 0.00 55.95 53.97 2dif s SER 6 Cb -0.14 -2.17 0.15 0.00 -1.71 0.00 0.00 66.02 62.14 2dif s SER 6 CO 0.01 -0.55 0.30 -0.83 1.20 0.00 0.00 173.24 173.37 2dif s GLY 7 N 1.98 1.86 0.18 9.45 0.00 -1.26 -5.10 107.32 114.43 2dif s GLY 7 Ca 0.18 -2.82 0.09 0.00 0.00 0.00 0.00 44.72 42.16 2dif s GLY 7 CO -0.08 1.52 -0.07 1.85 0.00 0.00 0.00 173.10 176.31 2dif s GLU 8 N -0.04 2.14 -0.28 2.90 2.12 -1.26 -5.09 118.70 119.20 2dif s GLU 8 Ca 0.21 -1.24 -0.28 0.00 0.36 0.00 0.00 54.97 54.03 2dif s GLU 8 Cb -0.17 -2.20 0.01 0.00 0.26 0.00 0.00 34.13 32.03 2dif s GLU 8 CO -0.06 0.44 1.01 -1.12 -0.54 0.00 0.00 175.26 174.99 2dif s SER 9 N -2.87 6.95 0.04 -1.70 0.01 -1.26 -5.03 113.70 109.84 2dif s SER 9 Ca 0.26 1.12 0.03 0.00 1.31 0.00 0.00 55.95 58.67 2dif s SER 9 Cb -0.09 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2dif s SER 9 CO 0.16 -0.74 -0.09 -0.76 0.41 0.00 0.00 173.24 172.22 2dif s LEU 10 N 3.33 2.22 0.29 2.44 1.43 -1.26 -2.10 118.68 125.03 2dif s LEU 10 Ca 0.42 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 2dif s LEU 10 Cb -0.14 -0.27 -0.11 0.00 0.03 0.00 0.00 46.19 45.70 2dif s LEU 10 CO 0.11 -0.13 1.61 0.00 0.23 0.00 0.00 176.35 178.17 2dif n PRO 12 N 2.28 0.49 0.00 0.00 -0.04 -1.26 0.32 135.00 136.79 2dif n PRO 12 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2dif n PRO 12 Cb 0.37 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.88 0.00 0.09 0.54 6.02 -1.26 -4.83 117.38 117.05 2dif n GLN 13 Ca 0.09 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.19 2dif n GLN 13 Cb 0.04 -0.33 0.02 0.00 1.02 0.00 0.00 30.24 30.99 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2dif n HIS 14 N -2.54 0.83 -3.92 1.08 8.25 -1.23 -4.97 115.22 112.72 2dif n HIS 14 Ca 0.00 0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 57.42 2dif n HIS 14 Cb 0.22 -0.86 0.01 0.00 1.12 0.00 0.00 29.99 30.48 2dif n HIS 14 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2dif n HIS 15 N -2.53 -2.06 -4.55 4.41 -0.00 0.15 -4.85 115.22 105.79 2dif n HIS 15 Ca 0.00 0.86 -0.30 0.00 0.46 0.00 0.00 57.72 58.74 2dif n HIS 15 Cb 0.53 -3.89 -0.13 0.00 -0.12 0.00 0.00 29.99 26.38 2dif n HIS 15 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2dif s GLU 16 N -6.52 1.78 -0.43 1.57 2.02 -1.26 -4.66 118.70 111.20 2dif s GLU 16 Ca 0.45 -1.15 -0.42 0.00 0.02 0.00 0.00 54.97 53.87 2dif s GLU 16 Cb -0.23 -2.06 -0.17 0.00 0.10 0.00 0.00 34.13 31.78 2dif s GLU 16 CO 0.85 0.50 2.05 0.00 0.02 0.00 0.00 175.26 178.67 2dif n ALA 17 N 1.24 0.23 -1.93 5.21 0.00 -1.26 -2.53 120.51 121.47 2dif n ALA 17 Ca -0.17 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2dif n ALA 17 Cb 0.52 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 5.75 4.54 0.00 0.00 1.43 -0.89 -4.59 118.68 124.92 2dif s LEU 18 Ca 1.13 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 2dif s LEU 18 Cb -1.28 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 41.33 2dif s LEU 18 CO 0.63 -0.12 0.00 -1.20 0.23 0.00 0.00 176.35 175.89 2dif n SER 19 N 1.88 1.77 -4.93 2.29 7.64 -1.22 -4.98 113.62 116.07 2dif n SER 19 Ca 0.01 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 2dif n SER 19 Cb 0.46 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.54 4.11 -0.09 -3.43 1.43 -0.96 -1.62 118.68 115.57 2dif s LEU 20 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2dif s LEU 20 Cb 0.00 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.57 2dif s LEU 20 CO 0.00 -0.12 -0.03 0.12 0.23 0.00 0.00 176.35 176.55 2dif s PHE 21 N -2.06 0.97 -0.25 0.29 2.19 0.76 -0.34 117.98 119.54 2dif s PHE 21 Ca 0.35 -0.39 -0.29 0.00 0.33 0.00 0.00 56.93 56.94 2dif s PHE 21 Cb -0.09 -0.96 0.00 0.00 -1.31 0.00 0.00 43.02 40.66 2dif s PHE 21 CO 0.28 -0.40 1.20 0.00 1.83 0.00 0.00 175.22 178.13 2dif h TYR 23 N 8.40 -0.03 -0.49 0.00 0.05 -1.47 0.52 116.97 123.95 2dif h TYR 23 Ca -0.24 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.58 2dif h TYR 23 Cb 1.09 0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.78 2dif h TYR 23 CO 0.82 -0.02 -0.29 0.39 -1.05 0.00 0.00 178.16 178.02 2dif n GLU 24 N -2.08 -0.21 0.25 4.88 1.02 -1.26 0.23 120.64 123.47 2dif n GLU 24 Ca -0.00 1.02 0.11 0.00 -0.02 0.00 0.00 57.16 58.26 2dif n GLU 24 Cb 0.01 -1.51 0.66 0.00 -0.02 0.00 0.00 31.44 30.59 2dif n GLU 24 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dif h ASP 25 N 0.00 0.00 -4.27 1.62 3.32 -1.93 -3.46 116.42 111.70 2dif h ASP 25 Ca 0.08 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.77 2dif h ASP 25 Cb 0.20 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.82 2dif h ASP 25 CO -0.46 0.14 -0.55 0.00 -1.72 0.00 0.00 179.24 176.66 2dif n GLN 26 N -3.82 -4.96 -3.81 3.56 1.13 0.64 -5.00 117.38 105.12 2dif n GLN 26 Ca -0.02 0.78 -0.14 0.00 -1.94 0.00 0.00 57.00 55.68 2dif n GLN 26 Cb 0.25 -5.44 -0.16 0.00 0.11 0.00 0.00 30.24 25.00 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2dif s GLU 27 N -5.70 -0.00 0.14 -1.09 -1.05 -0.88 -4.99 118.70 105.13 2dif s GLU 27 Ca 0.33 0.13 -0.34 0.00 -0.15 0.00 0.00 54.97 54.94 2dif s GLU 27 Cb -0.14 -0.21 -0.14 0.00 -0.44 0.00 0.00 34.13 33.19 2dif s GLU 27 CO 0.40 -0.13 1.53 0.00 0.95 0.00 0.00 175.26 178.02 2dif n ALA 28 N 3.92 0.88 -2.41 -0.84 0.00 -1.26 -2.47 120.51 118.33 2dif n ALA 28 Ca -0.24 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2dif n ALA 28 Cb 0.52 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 2dif n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dif s VAL 29 N 0.86 1.94 0.79 0.00 -7.23 0.54 -4.86 120.40 112.45 2dif s VAL 29 Ca 0.80 -2.17 -0.06 0.00 -1.81 0.00 0.00 61.98 58.74 2dif s VAL 29 Cb -0.74 -2.05 0.17 0.00 0.56 0.00 0.00 36.38 34.33 2dif s VAL 29 CO 0.40 -0.46 1.08 0.00 -0.31 0.00 0.00 175.10 175.81 2dif h LEU 31 N 0.00 -0.58 -0.94 0.00 4.07 -1.92 -2.94 115.31 113.00 2dif h LEU 31 Ca -0.35 0.02 0.19 0.00 0.08 0.00 0.00 57.88 57.82 2dif h LEU 31 Cb 1.16 0.16 -0.18 0.00 1.08 0.00 0.00 40.66 42.88 2dif h LEU 31 CO 0.32 -0.39 -0.21 0.40 -1.08 0.00 0.00 178.44 177.48 2dif h ILE 32 N -0.64 0.06 -0.37 1.22 5.03 -1.97 -0.44 117.51 120.40 2dif h ILE 32 Ca -0.06 -0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.72 2dif h ILE 32 Cb 0.50 0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 34.27 2dif h ILE 32 CO 0.09 0.00 -0.47 0.00 -0.68 0.00 0.00 178.15 177.09 2dif n ALA 34 N -3.03 0.16 -0.33 0.00 0.00 -0.18 0.72 120.51 117.85 2dif n ALA 34 Ca -0.03 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 54.04 2dif n ALA 34 Cb 0.28 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 0.03 0.59 0.00 2.04 -1.16 0.41 117.51 119.42 2dif h ILE 35 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 2dif h ILE 35 Cb 0.47 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2dif h ILE 35 CO -0.64 0.00 -0.29 0.28 0.00 0.00 0.00 178.15 177.51 2dif h SER 36 N -0.08 -0.68 -0.27 1.72 0.02 0.22 -3.04 113.55 111.45 2dif h SER 36 Ca 0.24 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2dif h SER 36 Cb 0.54 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2dif h SER 36 CO -0.87 -0.33 -0.29 0.45 -1.14 0.00 0.00 176.83 174.64 2dif h HIS 37 N -1.04 -0.90 -1.31 3.45 3.86 -0.80 0.24 115.15 118.64 2dif h HIS 37 Ca -0.08 0.05 0.45 0.00 -1.16 0.00 0.00 60.37 59.63 2dif h HIS 37 Cb 0.67 0.43 -0.14 0.00 1.06 0.00 0.00 27.41 29.43 2dif h HIS 37 CO 0.00 -0.24 0.83 1.79 0.86 0.00 0.00 177.93 181.17 2dif h THR 38 N -0.17 0.06 -0.50 2.45 1.35 -0.30 1.57 112.91 117.37 2dif h THR 38 Ca 0.05 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.79 2dif h THR 38 Cb 0.29 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.70 2dif h THR 38 CO -0.34 0.01 -0.08 -0.74 -0.25 0.00 0.00 175.52 174.12 2dif h HIS 39 N 0.05 1.00 -0.22 4.73 6.17 -0.43 -2.56 115.15 123.89 2dif h HIS 39 Ca 0.85 -0.19 -0.09 0.00 0.71 0.00 0.00 60.37 61.66 2dif h HIS 39 Cb 2.64 -0.26 -0.05 0.00 2.52 0.00 0.00 27.41 32.26 2dif h HIS 39 CO -0.01 0.94 0.11 0.54 0.71 0.00 0.00 177.93 180.23 2dif n ARG 40 N -4.16 1.56 -3.79 5.26 5.12 0.53 -4.82 116.66 116.36 2dif n ARG 40 Ca 0.02 -0.80 -0.27 0.00 -1.93 0.00 0.00 57.85 54.87 2dif n ARG 40 Cb 0.37 -1.44 0.05 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.10 -1.35 -2.72 7.54 0.00 -0.96 -4.96 120.51 118.16 2dif n ALA 41 Ca 0.13 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 2dif n ALA 41 Cb 0.70 -4.63 -0.07 0.00 0.00 0.00 0.00 19.45 15.45 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 3.56 -0.35 0.00 3.76 -0.98 -5.00 115.29 112.95 2dif s HIS 42 Ca 0.59 0.65 -0.24 0.00 -0.15 0.00 0.00 55.06 55.90 2dif s HIS 42 Cb -0.28 -2.20 0.01 0.00 1.11 0.00 0.00 32.58 31.22 2dif s HIS 42 CO 0.80 0.49 0.85 0.99 -0.85 0.00 0.00 174.74 177.01 2dif s THR 43 N -0.35 4.68 0.08 1.30 2.01 -1.26 -4.13 115.64 117.98 2dif s THR 43 Ca 0.17 1.08 0.09 0.00 0.31 0.00 0.00 61.69 63.35 2dif s THR 43 Cb -0.13 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2dif s THR 43 CO 0.06 -0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.62 2dif s VAL 44 N 3.23 1.98 0.01 3.82 1.01 -1.26 -1.19 120.40 128.00 2dif s VAL 44 Ca 0.34 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 2dif s VAL 44 Cb -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2dif s VAL 44 CO 0.17 0.15 0.23 0.68 0.00 0.00 0.00 175.10 176.33 2dif s VAL 45 N -0.96 0.08 0.69 2.92 -7.23 -1.03 -4.96 120.40 109.91 2dif s VAL 45 Ca 0.10 -0.66 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 2dif s VAL 45 Cb -0.10 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.18 2dif s VAL 45 CO 0.04 -0.36 1.10 -2.16 -0.31 0.00 0.00 175.10 173.41 2dif s PRO 46 N -1.78 2.66 -0.10 4.82 0.04 -1.26 -0.17 135.00 139.20 2dif s PRO 46 Ca -0.11 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 2dif s PRO 46 Cb -0.04 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2dif s PRO 46 CO 0.01 -1.35 -0.18 1.28 0.04 0.00 0.00 177.00 176.80 2dif n LEU 47 N -2.71 1.18 -1.13 -3.56 4.32 -0.64 -4.46 117.00 110.00 2dif n LEU 47 Ca 0.10 0.31 -0.02 0.00 -0.02 0.00 0.00 56.01 56.38 2dif n LEU 47 Cb 0.52 -0.68 0.10 0.00 -1.62 0.00 0.00 43.42 41.74 2dif n LEU 47 CO 0.49 -0.40 0.57 -0.24 -1.22 0.00 0.00 177.39 176.59 2dif n SER 48 N -3.73 2.82 -0.82 -1.43 2.88 -1.26 -4.98 113.62 107.10 2dif n SER 48 Ca -0.07 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 2dif n SER 48 Cb 0.27 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dif n GLY 49 N 0.11 -3.57 3.75 0.46 0.00 -1.26 -4.89 105.19 99.79 2dif n GLY 49 Ca 0.13 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.75 4.43 -0.15 1.61 0.04 -1.26 -4.98 135.00 129.94 2dif s PRO 50 Ca 0.00 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 2dif s PRO 50 Cb 0.00 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 2dif s PRO 50 CO 0.00 -0.14 -0.28 0.43 0.04 0.00 0.00 177.00 177.06 2dif n SER 51 N 1.76 1.68 -0.02 6.66 7.64 -1.26 -4.78 113.62 125.31 2dif n SER 51 Ca 0.03 0.35 -0.22 0.00 1.01 0.00 0.00 58.87 60.04 2dif n SER 51 Cb 0.43 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 2dif n SER 51 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dif h SER 52 N -0.88 0.31 -0.02 6.43 4.64 -2.03 -3.57 113.55 118.43 2dif h SER 52 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 2dif h SER 52 Cb 0.79 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2dif h SER 52 CO 0.00 1.67 0.00 0.61 -0.87 0.00 0.00 176.83 178.24