#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 6.29 -0.28 1.61 0.15 -1.26 -4.99 113.70 115.22 2dif s SER 2 Ca 0.00 -2.67 -0.20 0.00 0.70 0.00 0.00 55.95 53.79 2dif s SER 2 Cb 0.00 -2.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.32 2dif s SER 2 CO 0.00 -0.54 0.92 -0.44 1.20 0.00 0.00 173.24 174.38 2dif s SER 3 N 1.85 -0.59 0.68 5.45 0.01 -1.26 -5.18 113.70 114.67 2dif s SER 3 Ca 0.17 1.01 -0.03 0.00 1.31 0.00 0.00 55.95 58.40 2dif s SER 3 Cb -0.14 1.16 0.08 0.00 0.21 0.00 0.00 66.02 67.32 2dif s SER 3 CO -0.07 -0.17 0.96 -0.83 0.41 0.00 0.00 173.24 173.55 2dif s GLY 4 N 0.97 1.76 -0.04 3.44 0.00 -1.26 -5.11 107.32 107.07 2dif s GLY 4 Ca -0.05 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 2dif s GLY 4 CO -0.12 -0.83 0.02 -0.45 0.00 0.00 0.00 173.10 171.72 2dif s SER 5 N -4.57 0.97 -0.12 1.64 0.15 -1.26 -5.14 113.70 105.37 2dif s SER 5 Ca 0.62 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 57.15 2dif s SER 5 Cb -0.09 -0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 2dif s SER 5 CO 0.43 -0.18 0.23 -0.44 1.20 0.00 0.00 173.24 174.49 2dif s SER 6 N 1.66 6.46 0.00 5.45 0.01 -1.26 -5.07 113.70 120.94 2dif s SER 6 Ca -0.01 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2dif s SER 6 Cb -0.13 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2dif s SER 6 CO -0.03 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2dif n GLY 7 N 2.58 3.54 3.85 3.44 0.00 -1.26 -5.16 105.19 112.18 2dif n GLY 7 Ca -0.16 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2dif n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dif s GLU 8 N -0.89 3.96 -0.35 1.61 2.12 -1.26 -4.97 118.70 118.92 2dif s GLU 8 Ca 0.00 0.65 -0.27 0.00 0.36 0.00 0.00 54.97 55.71 2dif s GLU 8 Cb 0.00 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.95 2dif s GLU 8 CO 0.00 0.08 2.16 -1.12 -0.54 0.00 0.00 175.26 175.84 2dif s SER 9 N -2.52 5.24 -0.03 -1.70 0.01 -1.26 -4.96 113.70 108.49 2dif s SER 9 Ca 0.54 1.42 0.02 0.00 1.31 0.00 0.00 55.95 59.24 2dif s SER 9 Cb -0.10 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 2dif s SER 9 CO 0.21 -2.21 -0.08 -0.76 0.41 0.00 0.00 173.24 170.82 2dif s LEU 10 N 9.19 3.13 0.20 2.44 1.43 -1.26 -2.10 118.68 131.71 2dif s LEU 10 Ca 0.93 -0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 53.60 2dif s LEU 10 Cb -0.25 -1.74 -0.14 0.00 0.03 0.00 0.00 46.19 44.09 2dif s LEU 10 CO 0.31 0.32 1.43 0.00 0.23 0.00 0.00 176.35 178.64 2dif n PRO 12 N 2.42 0.49 0.00 0.00 -0.04 -1.26 0.12 135.00 136.73 2dif n PRO 12 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2dif n PRO 12 Cb 0.29 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2dif n PRO 12 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dif n GLN 13 N -0.97 0.00 -0.01 0.54 -0.06 -1.26 -4.82 117.38 110.79 2dif n GLN 13 Ca 0.11 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.15 2dif n GLN 13 Cb 0.05 -0.81 -0.14 0.00 -4.06 0.00 0.00 30.24 25.28 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2dif n HIS 14 N -2.19 0.24 -3.15 3.69 8.25 -1.21 -4.99 115.22 115.88 2dif n HIS 14 Ca 0.00 0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 2dif n HIS 14 Cb 0.33 -0.75 0.03 0.00 1.12 0.00 0.00 29.99 30.72 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 -2.51 -2.03 -4.20 4.41 8.25 0.32 -4.87 115.22 114.59 2dif n HIS 15 Ca -0.11 0.56 -0.24 0.00 -0.26 0.00 0.00 57.72 57.67 2dif n HIS 15 Cb 0.75 -4.28 -0.07 0.00 1.12 0.00 0.00 29.99 27.51 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 -5.83 2.21 -0.00 -0.41 0.41 -1.26 -4.67 118.70 109.15 2dif s GLU 16 Ca 0.35 -1.73 -0.32 0.00 -0.41 0.00 0.00 54.97 52.85 2dif s GLU 16 Cb -0.16 -2.01 -0.11 0.00 -1.78 0.00 0.00 34.13 30.07 2dif s GLU 16 CO 0.44 0.03 1.90 0.00 -0.49 0.00 0.00 175.26 177.13 2dif n ALA 17 N -1.12 1.32 -2.52 5.21 0.00 -1.26 -2.01 120.51 120.13 2dif n ALA 17 Ca -0.03 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2dif n ALA 17 Cb 0.63 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2dif n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dif n LEU 18 N 6.69 5.87 -1.48 0.00 4.77 -0.89 -4.33 117.00 127.63 2dif n LEU 18 Ca 0.21 -4.39 -0.06 0.00 -0.03 0.00 0.00 56.01 51.73 2dif n LEU 18 Cb 0.35 -1.60 0.14 0.00 -2.33 0.00 0.00 43.42 39.97 2dif n LEU 18 CO 0.70 0.90 0.78 -0.24 -1.33 0.00 0.00 177.39 178.21 2dif n SER 19 N 5.54 3.41 -3.82 -1.43 2.88 -1.25 -4.82 113.62 114.13 2dif n SER 19 Ca 0.42 -2.70 -0.10 0.00 -1.33 0.00 0.00 58.87 55.16 2dif n SER 19 Cb 0.41 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 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 -1.59 1.26 -0.09 2.46 1.43 -1.12 -3.51 118.68 117.51 2dif s LEU 20 Ca 0.29 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2dif s LEU 20 Cb 0.23 1.12 0.05 0.00 0.03 0.00 0.00 46.19 47.62 2dif s LEU 20 CO 0.07 -0.68 0.20 0.12 0.23 0.00 0.00 176.35 176.29 2dif s PHE 21 N -3.32 -0.27 -0.22 0.29 5.36 -0.08 -0.71 117.98 119.02 2dif s PHE 21 Ca 0.01 0.69 -0.20 0.00 -0.96 0.00 0.00 56.93 56.46 2dif s PHE 21 Cb 0.02 -0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 2dif s PHE 21 CO -0.08 -0.23 0.61 0.00 -1.46 0.00 0.00 175.22 174.05 2dif h TYR 23 N 7.66 -0.61 -0.75 0.00 0.05 -0.90 0.94 116.97 123.36 2dif h TYR 23 Ca -0.30 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.53 2dif h TYR 23 Cb 1.14 0.20 -0.09 0.00 1.01 0.00 0.00 36.73 38.99 2dif h TYR 23 CO 0.73 -0.38 -0.44 -1.91 -1.05 0.00 0.00 178.16 175.11 2dif n GLU 24 N -4.41 -0.33 0.14 4.88 4.07 -1.26 0.12 120.64 123.86 2dif n GLU 24 Ca -0.08 1.15 0.01 0.00 -0.06 0.00 0.00 57.16 58.17 2dif n GLU 24 Cb 0.26 -1.68 0.12 0.00 -0.06 0.00 0.00 31.44 30.08 2dif n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2dif h ASP 25 N 0.00 0.00 -3.53 4.31 5.19 -1.93 -3.47 116.42 116.98 2dif h ASP 25 Ca 0.12 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.29 2dif h ASP 25 Cb 0.31 0.00 0.07 0.00 0.18 0.00 0.00 39.33 39.88 2dif h ASP 25 CO -0.70 0.60 -0.39 1.67 -3.12 0.00 0.00 179.24 177.30 2dif n GLN 26 N -3.47 -4.14 -4.15 3.56 -0.06 0.33 -5.03 117.38 104.42 2dif n GLN 26 Ca 0.00 0.50 -0.15 0.00 -2.00 0.00 0.00 57.00 55.35 2dif n GLN 26 Cb 0.68 -4.53 -0.13 0.00 -4.06 0.00 0.00 30.24 22.21 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 -5.60 0.59 -0.11 3.69 -1.05 -0.74 -4.96 118.70 110.52 2dif s GLU 27 Ca 0.29 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 2dif s GLU 27 Cb -0.13 -0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.06 2dif s GLU 27 CO 0.36 0.11 1.32 0.00 0.95 0.00 0.00 175.26 178.00 2dif s ALA 28 N -0.92 3.62 0.51 -0.84 0.00 -1.26 -1.00 121.76 121.87 2dif s ALA 28 Ca -0.04 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2dif s ALA 28 Cb -0.07 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2dif s ALA 28 CO 0.00 -1.10 0.24 0.14 0.00 0.00 0.00 175.76 175.05 2dif s VAL 29 N 3.21 1.58 0.50 0.00 -7.23 0.11 -4.93 120.40 113.63 2dif s VAL 29 Ca 0.58 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2dif s VAL 29 Cb -0.25 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2dif s VAL 29 CO 0.19 0.00 0.35 0.00 -0.31 0.00 0.00 175.10 175.33 2dif h LEU 31 N 0.00 0.74 0.26 0.00 -0.00 -1.95 -2.35 115.31 112.01 2dif h LEU 31 Ca -0.33 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 2dif h LEU 31 Cb 1.17 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2dif h LEU 31 CO 0.51 0.45 -0.12 0.40 -0.00 0.00 0.00 178.44 179.68 2dif h ILE 32 N 0.86 0.00 -0.82 1.22 2.04 -1.95 -3.21 117.51 115.66 2dif h ILE 32 Ca 0.38 -0.09 0.22 0.00 1.00 0.00 0.00 64.86 66.37 2dif h ILE 32 Cb 0.25 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.18 2dif h ILE 32 CO -0.20 0.00 0.01 0.00 0.00 0.00 0.00 178.15 177.96 2dif h ALA 34 N 1.63 0.23 -0.76 0.00 0.00 -1.42 -0.00 119.26 118.94 2dif h ALA 34 Ca 0.49 0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.79 2dif h ALA 34 Cb 1.01 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 19.53 2dif h ALA 34 CO -0.77 -0.57 -0.31 -0.89 0.00 0.00 0.00 179.25 176.72 2dif n ILE 35 N -5.49 -0.41 0.42 0.00 5.41 0.19 0.28 119.36 119.76 2dif n ILE 35 Ca 0.09 1.79 -0.17 0.00 1.00 0.00 0.00 62.75 65.47 2dif n ILE 35 Cb 0.40 -2.36 -0.08 0.00 -0.71 0.00 0.00 39.64 36.90 2dif n ILE 35 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dif h SER 36 N 0.00 -0.92 -0.27 4.38 0.87 -1.13 -2.28 113.55 114.19 2dif h SER 36 Ca 0.26 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2dif h SER 36 Cb 0.45 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 2dif h SER 36 CO -0.75 -0.61 -0.40 0.45 -0.53 0.00 0.00 176.83 174.99 2dif h HIS 37 N -1.19 -1.23 -1.22 2.24 3.86 -0.70 0.39 115.15 117.29 2dif h HIS 37 Ca -0.11 0.06 0.35 0.00 -1.16 0.00 0.00 60.37 59.51 2dif h HIS 37 Cb 0.83 0.57 -0.05 0.00 1.06 0.00 0.00 27.41 29.82 2dif h HIS 37 CO 0.02 -0.36 0.88 1.79 0.86 0.00 0.00 177.93 181.12 2dif h THR 38 N -0.30 0.39 0.09 2.45 1.35 -0.24 0.70 112.91 117.34 2dif h THR 38 Ca 0.05 -0.01 -0.26 0.00 -0.55 0.00 0.00 66.41 65.64 2dif h THR 38 Cb 0.44 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2dif h THR 38 CO -0.42 0.00 -1.15 -0.74 -0.25 0.00 0.00 175.52 172.97 2dif h HIS 39 N 0.03 0.47 -0.15 4.73 6.17 0.21 -3.17 115.15 123.43 2dif h HIS 39 Ca 0.59 -0.32 0.00 0.00 0.71 0.00 0.00 60.37 61.35 2dif h HIS 39 Cb 2.31 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 32.21 2dif h HIS 39 CO -0.00 1.22 0.00 0.54 0.71 0.00 0.00 177.93 180.40 2dif n ARG 40 N -3.57 1.59 -3.12 5.26 5.12 0.24 -4.87 116.66 117.30 2dif n ARG 40 Ca -0.07 -0.64 -0.13 0.00 -1.93 0.00 0.00 57.85 55.07 2dif n ARG 40 Cb 0.97 -1.36 0.07 0.00 -1.16 0.00 0.00 32.46 30.98 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 0.05 -1.65 -2.67 7.54 0.00 -0.75 -5.02 120.51 118.01 2dif n ALA 41 Ca 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 2dif n ALA 41 Cb 0.28 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.29 3.04 -0.49 0.00 3.76 -0.75 -5.01 115.29 112.55 2dif s HIS 42 Ca 0.03 0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 54.72 2dif s HIS 42 Cb -0.00 -1.77 0.03 0.00 1.11 0.00 0.00 32.58 31.94 2dif s HIS 42 CO 0.58 0.35 1.10 0.99 -0.85 0.00 0.00 174.74 176.91 2dif s THR 43 N -0.70 4.23 0.00 1.30 2.01 -1.26 -4.34 115.64 116.89 2dif s THR 43 Ca 0.11 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.26 2dif s THR 43 Cb -0.11 -4.59 -0.02 0.00 0.01 0.00 0.00 72.50 67.78 2dif s THR 43 CO 0.02 -1.03 -0.24 -0.69 -0.69 0.00 0.00 174.62 171.99 2dif s VAL 44 N 4.39 1.92 0.01 3.82 1.01 -1.26 -0.21 120.40 130.07 2dif s VAL 44 Ca 0.45 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2dif s VAL 44 Cb -0.08 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2dif s VAL 44 CO 0.30 0.45 0.03 0.68 0.00 0.00 0.00 175.10 176.56 2dif s VAL 45 N -0.65 0.10 0.47 2.92 -7.23 -0.59 -4.93 120.40 110.48 2dif s VAL 45 Ca 0.10 -0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 59.25 2dif s VAL 45 Cb -0.09 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.47 2dif s VAL 45 CO 0.00 -0.43 1.16 -2.16 -0.31 0.00 0.00 175.10 173.36 2dif s PRO 46 N -1.36 3.71 -0.28 4.82 0.04 -1.26 -0.91 135.00 139.76 2dif s PRO 46 Ca -0.15 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 2dif s PRO 46 Cb -0.09 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2dif s PRO 46 CO -0.00 -0.58 0.84 -0.51 0.04 0.00 0.00 177.00 176.79 2dif s LEU 47 N -3.12 4.07 0.00 -3.56 1.02 -1.23 -4.10 118.68 111.76 2dif s LEU 47 Ca 0.65 0.85 0.00 0.00 0.02 0.00 0.00 54.13 55.65 2dif s LEU 47 Cb -0.28 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 42.75 2dif s LEU 47 CO 0.34 -0.61 0.00 -0.24 0.02 0.00 0.00 176.35 175.85 2dif n SER 48 N 6.22 -0.64 -4.78 2.29 2.88 -1.26 -4.83 113.62 113.51 2dif n SER 48 Ca 0.06 0.32 -0.34 0.00 -1.33 0.00 0.00 58.87 57.58 2dif n SER 48 Cb 0.48 -0.79 0.02 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.57 2.34 1.25 0.46 0.00 -1.26 -5.04 107.32 103.50 2dif s GLY 49 Ca 0.00 0.63 -0.21 0.00 0.00 0.00 0.00 44.72 45.14 2dif s GLY 49 CO 0.00 0.98 1.11 2.56 0.00 0.00 0.00 173.10 177.75 2dif s PRO 50 N -3.75 -1.59 -0.18 2.90 0.04 -1.26 -5.03 135.00 126.13 2dif s PRO 50 Ca 0.69 -0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.38 2dif s PRO 50 Cb -0.21 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 2dif s PRO 50 CO 0.34 -3.93 -0.01 0.45 0.04 0.00 0.00 177.00 173.89 2dif n SER 51 N -4.89 1.84 -0.17 6.66 2.88 -1.26 -4.15 113.62 114.52 2dif n SER 51 Ca 0.15 0.53 0.29 0.00 -1.33 0.00 0.00 58.87 58.51 2dif n SER 51 Cb 0.60 -0.91 0.68 0.00 -0.75 0.00 0.00 64.21 63.83 2dif n SER 51 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dif h SER 52 N -1.00 0.00 0.00 -3.46 4.64 -2.06 -3.56 113.55 108.11 2dif h SER 52 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2dif h SER 52 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2dif h SER 52 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46