#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 1.39 -4.90 1.61 7.64 -1.26 -5.05 113.62 113.05 2dif n SER 2 Ca 0.00 0.20 -0.32 0.00 1.01 0.00 0.00 58.87 59.77 2dif n SER 2 Cb 0.00 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 2dif n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dif s SER 3 N -5.97 6.46 0.00 6.43 1.04 -1.26 -4.99 113.70 115.41 2dif s SER 3 Ca -0.10 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2dif s SER 3 Cb 0.01 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2dif s SER 3 CO 0.15 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2dif n GLY 4 N 0.24 0.69 3.54 7.32 0.00 -1.26 -5.11 105.19 110.61 2dif n GLY 4 Ca -0.04 0.03 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 2dif n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dif n SER 5 N 0.00 0.76 -4.90 1.61 2.88 -1.26 -4.94 113.62 107.76 2dif n SER 5 Ca 0.00 1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 58.35 2dif n SER 5 Cb 0.00 -1.10 -0.05 0.00 -0.75 0.00 0.00 64.21 62.31 2dif n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dif s SER 6 N -0.00 6.37 -0.97 -3.46 1.04 -1.26 -5.04 113.70 110.38 2dif s SER 6 Ca 0.80 0.35 -0.21 0.00 0.48 0.00 0.00 55.95 57.37 2dif s SER 6 Cb -1.00 -2.00 0.09 0.00 0.10 0.00 0.00 66.02 63.21 2dif s SER 6 CO 0.53 0.26 1.28 -0.83 0.98 0.00 0.00 173.24 175.46 2dif s GLY 7 N -1.93 1.63 -0.30 7.32 0.00 -1.26 -4.96 107.32 107.81 2dif s GLY 7 Ca 0.27 -2.55 -0.02 0.00 0.00 0.00 0.00 44.72 42.42 2dif s GLY 7 CO 0.19 2.32 0.01 -0.54 0.00 0.00 0.00 173.10 175.08 2dif s GLU 8 N 3.72 2.50 -0.26 2.90 2.02 -1.26 -5.07 118.70 123.24 2dif s GLU 8 Ca 0.39 -1.23 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2dif s GLU 8 Cb -0.03 -3.20 0.07 0.00 0.10 0.00 0.00 34.13 31.07 2dif s GLU 8 CO -0.10 -0.60 -0.04 0.45 0.02 0.00 0.00 175.26 174.99 2dif s SER 9 N 1.28 4.12 0.03 -0.19 0.15 -1.26 -5.11 113.70 112.72 2dif s SER 9 Ca -0.04 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 55.25 2dif s SER 9 Cb -0.19 -1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 2dif s SER 9 CO -0.01 -0.26 -0.13 -0.76 1.20 0.00 0.00 173.24 173.28 2dif s LEU 10 N 1.28 2.14 0.18 3.45 1.43 -1.26 -2.29 118.68 123.61 2dif s LEU 10 Ca -0.03 -0.40 -0.33 0.00 -1.03 0.00 0.00 54.13 52.34 2dif s LEU 10 Cb -0.19 -0.56 -0.15 0.00 0.03 0.00 0.00 46.19 45.31 2dif s LEU 10 CO -0.08 0.04 1.19 0.00 0.23 0.00 0.00 176.35 177.74 2dif n PRO 12 N 1.80 0.49 0.00 0.00 -0.04 -1.26 0.48 135.00 136.47 2dif n PRO 12 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2dif n PRO 12 Cb 0.25 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.00 0.00 0.00 0.54 -0.06 -1.26 -4.81 117.38 110.79 2dif n GLN 13 Ca 0.12 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.23 2dif n GLN 13 Cb 0.05 -0.62 0.11 0.00 -4.06 0.00 0.00 30.24 25.73 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 -2.01 0.00 -4.07 3.69 8.25 -1.23 -4.95 115.22 114.90 2dif n HIS 14 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2dif n HIS 14 Cb 0.19 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.34 -1.38 -4.21 4.41 8.25 0.18 -4.79 115.22 117.34 2dif n HIS 15 Ca 0.10 0.54 -0.26 0.00 -0.26 0.00 0.00 57.72 57.84 2dif n HIS 15 Cb 0.42 -1.76 -0.07 0.00 1.12 0.00 0.00 29.99 29.70 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 -6.73 2.44 -0.10 -0.41 0.41 -1.26 -4.61 118.70 108.44 2dif s GLU 16 Ca 0.65 -1.13 -0.38 0.00 -0.41 0.00 0.00 54.97 53.70 2dif s GLU 16 Cb -0.38 -2.36 -0.16 0.00 -1.78 0.00 0.00 34.13 29.46 2dif s GLU 16 CO 0.79 0.44 1.58 0.00 -0.49 0.00 0.00 175.26 177.58 2dif n ALA 17 N -0.26 -0.41 -3.06 5.21 0.00 -1.26 -1.15 120.51 119.58 2dif n ALA 17 Ca -0.09 0.44 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 2dif n ALA 17 Cb 0.56 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.20 5.45 -0.11 0.00 1.43 -0.97 -4.27 118.68 122.41 2dif s LEU 18 Ca 0.92 -3.10 0.11 0.00 -1.03 0.00 0.00 54.13 51.03 2dif s LEU 18 Cb -0.99 -2.34 0.51 0.00 0.03 0.00 0.00 46.19 43.40 2dif s LEU 18 CO 0.56 -0.63 1.34 -1.20 0.23 0.00 0.00 176.35 176.65 2dif n SER 19 N 4.85 3.68 -4.07 2.29 7.64 -1.26 -4.84 113.62 121.90 2dif n SER 19 Ca 0.32 -2.42 -0.08 0.00 1.01 0.00 0.00 58.87 57.70 2dif n SER 19 Cb 0.42 -0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.57 2.07 -0.16 -3.43 1.43 -1.21 -2.56 118.68 113.25 2dif s LEU 20 Ca 0.35 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 2dif s LEU 20 Cb 0.24 0.38 0.08 0.00 0.03 0.00 0.00 46.19 46.92 2dif s LEU 20 CO 0.14 -0.67 0.34 0.12 0.23 0.00 0.00 176.35 176.51 2dif s PHE 21 N -3.95 -0.60 0.03 0.29 5.36 -0.56 -2.56 117.98 115.99 2dif s PHE 21 Ca 0.12 1.24 -0.30 0.00 -0.96 0.00 0.00 56.93 57.03 2dif s PHE 21 Cb 0.07 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.85 2dif s PHE 21 CO -0.06 -0.41 0.99 0.00 -1.46 0.00 0.00 175.22 174.28 2dif h TYR 23 N 6.48 0.94 0.12 0.00 0.05 -1.45 -1.62 116.97 121.49 2dif h TYR 23 Ca -0.42 -0.62 0.01 0.00 0.05 0.00 0.00 58.73 57.76 2dif h TYR 23 Cb 1.22 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2dif h TYR 23 CO 0.67 1.46 -0.17 0.93 -1.05 0.00 0.00 178.16 180.01 2dif h GLU 24 N 0.15 -0.33 -0.07 4.88 4.39 -1.93 -1.62 114.58 120.05 2dif h GLU 24 Ca -0.20 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2dif h GLU 24 Cb 1.92 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 2dif h GLU 24 CO 0.23 -0.22 0.00 -0.25 -1.16 0.00 0.00 179.01 177.61 2dif n ASP 25 N -5.29 0.88 -3.79 1.42 8.00 -1.25 -4.90 116.55 111.61 2dif n ASP 25 Ca -0.07 -1.49 -0.29 0.00 0.71 0.00 0.00 54.79 53.65 2dif n ASP 25 Cb 0.21 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 2dif n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dif n GLN 26 N -0.23 -1.37 -4.29 -1.24 1.13 -0.61 -4.87 117.38 105.90 2dif n GLN 26 Ca 0.17 0.09 -0.16 0.00 -1.94 0.00 0.00 57.00 55.17 2dif n GLN 26 Cb 0.22 -4.40 -0.10 0.00 0.11 0.00 0.00 30.24 26.07 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 -6.26 1.25 -0.04 -1.09 -1.05 -0.97 -5.00 118.70 105.53 2dif s GLU 27 Ca 0.56 -1.62 -0.20 0.00 -0.15 0.00 0.00 54.97 53.56 2dif s GLU 27 Cb -0.33 -0.45 -0.05 0.00 -0.44 0.00 0.00 34.13 32.87 2dif s GLU 27 CO 0.69 -0.12 0.56 0.00 0.95 0.00 0.00 175.26 177.33 2dif s ALA 28 N -3.54 3.48 0.14 -0.84 0.00 -1.26 -1.16 121.76 118.57 2dif s ALA 28 Ca 0.27 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2dif s ALA 28 Cb 0.06 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2dif s ALA 28 CO 0.07 0.12 -0.10 0.14 0.00 0.00 0.00 175.76 176.00 2dif s VAL 29 N 0.05 1.09 0.53 0.00 -7.23 -1.06 -4.92 120.40 108.86 2dif s VAL 29 Ca 0.30 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2dif s VAL 29 Cb -0.17 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 34.98 2dif s VAL 29 CO 0.15 -0.76 0.77 0.00 -0.31 0.00 0.00 175.10 174.96 2dif h LEU 31 N 0.10 -0.48 -0.51 0.00 5.85 -1.93 -0.50 115.31 117.85 2dif h LEU 31 Ca -0.44 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2dif h LEU 31 Cb 1.28 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.56 2dif h LEU 31 CO 0.55 -0.17 0.07 0.40 -0.34 0.00 0.00 178.44 178.96 2dif h ILE 32 N 0.01 0.68 0.67 4.05 2.04 -1.94 -2.66 117.51 120.36 2dif h ILE 32 Ca 0.27 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 2dif h ILE 32 Cb 0.41 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2dif h ILE 32 CO -0.56 0.04 -0.43 0.00 0.00 0.00 0.00 178.15 177.20 2dif n ALA 34 N -2.66 0.16 -0.32 0.00 0.00 -0.57 0.26 120.51 117.38 2dif n ALA 34 Ca -0.13 0.90 0.03 0.00 0.00 0.00 0.00 53.44 54.23 2dif n ALA 34 Cb 0.44 -0.52 0.09 0.00 0.00 0.00 0.00 19.45 19.46 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 -5.33 -0.40 0.21 0.00 5.41 -1.09 0.10 119.36 118.26 2dif n ILE 35 Ca 0.13 2.00 -0.13 0.00 1.00 0.00 0.00 62.75 65.75 2dif n ILE 35 Cb 0.40 -2.72 -0.07 0.00 -0.71 0.00 0.00 39.64 36.54 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 -0.49 -0.28 4.38 4.64 -0.31 -3.01 113.55 118.47 2dif h SER 36 Ca 0.37 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.62 2dif h SER 36 Cb 0.58 0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 2dif h SER 36 CO -0.88 -0.09 -0.39 0.45 -0.87 0.00 0.00 176.83 175.05 2dif h HIS 37 N -0.98 -1.19 -1.06 4.77 3.86 -0.70 0.11 115.15 119.97 2dif h HIS 37 Ca -0.06 0.06 0.36 0.00 -1.16 0.00 0.00 60.37 59.57 2dif h HIS 37 Cb 0.56 0.56 -0.15 0.00 1.06 0.00 0.00 27.41 29.44 2dif h HIS 37 CO 0.02 -0.34 0.62 1.79 0.86 0.00 0.00 177.93 180.87 2dif h THR 38 N -0.28 0.22 -0.34 2.45 1.35 -0.45 1.27 112.91 117.13 2dif h THR 38 Ca 0.05 -0.08 -0.06 0.00 -0.55 0.00 0.00 66.41 65.78 2dif h THR 38 Cb 0.42 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.80 2dif h THR 38 CO -0.41 0.04 -0.04 -0.74 -0.25 0.00 0.00 175.52 174.12 2dif h HIS 39 N 0.22 0.57 -0.21 4.73 6.17 -0.66 -1.84 115.15 124.14 2dif h HIS 39 Ca 0.77 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.78 2dif h HIS 39 Cb 1.94 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.71 2dif h HIS 39 CO -0.01 0.58 0.00 0.54 0.71 0.00 0.00 177.93 179.76 2dif n ARG 40 N -4.25 2.36 -3.35 5.26 5.12 0.43 -4.85 116.66 117.39 2dif n ARG 40 Ca 0.01 -1.12 -0.18 0.00 -1.93 0.00 0.00 57.85 54.63 2dif n ARG 40 Cb 0.27 -1.75 0.07 0.00 -1.16 0.00 0.00 32.46 29.89 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 0.23 -1.16 -2.81 7.54 0.00 -0.69 -5.00 120.51 118.62 2dif n ALA 41 Ca 0.10 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 2dif n ALA 41 Cb 0.57 -4.14 -0.07 0.00 0.00 0.00 0.00 19.45 15.81 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 -3.26 3.54 -0.01 0.00 3.76 -0.88 -4.99 115.29 113.44 2dif s HIS 42 Ca 0.39 0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 55.49 2dif s HIS 42 Cb -0.17 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2dif s HIS 42 CO 0.59 0.57 1.00 0.99 -0.85 0.00 0.00 174.74 177.04 2dif s THR 43 N -0.53 4.80 -0.06 1.30 2.01 -1.26 -4.11 115.64 117.79 2dif s THR 43 Ca 0.13 2.02 -0.05 0.00 0.31 0.00 0.00 61.69 64.10 2dif s THR 43 Cb -0.12 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.12 2dif s THR 43 CO 0.03 0.14 0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 2dif s VAL 44 N 1.15 -0.02 0.05 3.82 1.01 -1.26 -1.22 120.40 123.94 2dif s VAL 44 Ca 0.52 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2dif s VAL 44 Cb -0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2dif s VAL 44 CO 0.27 0.02 -0.11 0.68 0.00 0.00 0.00 175.10 175.96 2dif s VAL 45 N 0.45 0.82 0.13 2.92 -7.23 -1.02 -4.94 120.40 111.53 2dif s VAL 45 Ca -0.03 -1.14 -0.31 0.00 -1.81 0.00 0.00 61.98 58.69 2dif s VAL 45 Cb -0.04 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 2dif s VAL 45 CO -0.02 -0.27 1.35 -2.16 -0.31 0.00 0.00 175.10 173.69 2dif s PRO 46 N -1.57 4.35 0.00 4.82 0.04 -1.26 -1.49 135.00 139.90 2dif s PRO 46 Ca -0.05 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 2dif s PRO 46 Cb -0.10 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 31.02 2dif s PRO 46 CO 0.01 -0.36 1.36 -0.07 0.04 0.00 0.00 177.00 177.98 2dif h LEU 47 N 6.38 0.04 -0.65 -3.56 4.07 -1.80 -2.91 115.31 116.87 2dif h LEU 47 Ca -0.43 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.13 2dif h LEU 47 Cb 1.21 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2dif h LEU 47 CO 0.83 0.43 0.00 -1.20 -1.08 0.00 0.00 178.44 177.42 2dif n SER 48 N -4.87 0.95 -4.14 -0.43 7.64 -1.26 -4.58 113.62 106.93 2dif n SER 48 Ca -0.08 -1.95 -0.38 0.00 1.01 0.00 0.00 58.87 57.47 2dif n SER 48 Cb 0.22 -0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 2dif n SER 48 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dif s GLY 49 N -1.07 2.62 0.01 0.23 0.00 -1.10 -4.92 107.32 103.09 2dif s GLY 49 Ca 0.14 -3.37 -0.23 0.00 0.00 0.00 0.00 44.72 41.26 2dif s GLY 49 CO 0.10 1.14 1.30 -0.56 0.00 0.00 0.00 173.10 175.09 2dif h PRO 50 N 7.01 0.16 -2.10 2.90 0.13 -1.81 -3.42 132.00 134.86 2dif h PRO 50 Ca 0.03 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2dif h PRO 50 Cb 0.95 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.88 2dif h PRO 50 CO 0.74 0.60 0.12 -1.54 -0.23 0.00 0.00 178.00 177.69 2dif s SER 51 N -5.89 -0.66 -0.32 1.44 1.04 -1.26 -5.06 113.70 102.99 2dif s SER 51 Ca -0.15 0.98 0.11 0.00 0.48 0.00 0.00 55.95 57.37 2dif s SER 51 Cb 0.03 0.91 0.46 0.00 0.10 0.00 0.00 66.02 67.53 2dif s SER 51 CO 0.71 -0.43 1.13 -0.24 0.98 0.00 0.00 173.24 175.39 2dif n SER 52 N 1.75 3.75 -0.01 7.02 2.88 -1.26 -5.25 113.62 122.51 2dif n SER 52 Ca -0.17 -3.25 0.16 0.00 -1.33 0.00 0.00 58.87 54.29 2dif n SER 52 Cb 0.56 -0.42 0.94 0.00 -0.75 0.00 0.00 64.21 64.54 2dif n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42