#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 -4.62 -3.85 1.61 7.64 -1.26 -5.02 113.62 108.12 2dif n SER 2 Ca 0.00 -0.46 -0.12 0.00 1.01 0.00 0.00 58.87 59.31 2dif n SER 2 Cb 0.00 -4.21 -0.11 0.00 -1.01 0.00 0.00 64.21 58.88 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 -3.49 -0.06 -0.77 6.43 1.04 -1.26 -5.11 113.70 110.48 2dif s SER 3 Ca 0.35 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 2dif s SER 3 Cb -0.15 0.27 0.19 0.00 0.10 0.00 0.00 66.02 66.42 2dif s SER 3 CO 0.59 -0.22 0.62 -0.83 0.98 0.00 0.00 173.24 174.37 2dif s GLY 4 N -0.70 2.84 -0.02 7.32 0.00 -1.26 -5.05 107.32 110.44 2dif s GLY 4 Ca -0.08 -3.61 0.07 0.00 0.00 0.00 0.00 44.72 41.10 2dif s GLY 4 CO 0.01 1.15 -0.24 -0.56 0.00 0.00 0.00 173.10 173.46 2dif s SER 5 N 0.05 2.80 -0.64 1.64 0.01 -1.26 -5.09 113.70 111.21 2dif s SER 5 Ca 0.23 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 56.99 2dif s SER 5 Cb -0.12 -0.33 0.17 0.00 0.21 0.00 0.00 66.02 65.94 2dif s SER 5 CO -0.09 0.29 0.49 -0.94 0.41 0.00 0.00 173.24 173.40 2dif s SER 6 N -0.54 5.70 -0.18 2.44 1.04 -1.26 -4.87 113.70 116.04 2dif s SER 6 Ca 0.09 -2.60 -0.11 0.00 0.48 0.00 0.00 55.95 53.80 2dif s SER 6 Cb -0.09 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 64.10 2dif s SER 6 CO -0.01 -0.49 0.22 0.61 0.98 0.00 0.00 173.24 174.55 2dif n GLY 7 N 3.92 -5.06 3.77 7.32 0.00 -1.26 -4.97 105.19 108.92 2dif n GLY 7 Ca 0.06 1.57 -0.39 0.00 0.00 0.00 0.00 46.02 47.26 2dif n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dif s GLU 8 N -0.76 4.30 -0.21 1.61 1.03 -1.26 -5.06 118.70 118.35 2dif s GLU 8 Ca -0.25 0.71 -0.06 0.00 0.03 0.00 0.00 54.97 55.40 2dif s GLU 8 Cb 0.02 -3.33 0.10 0.00 -0.80 0.00 0.00 34.13 30.11 2dif s GLU 8 CO 0.73 0.39 0.41 -1.12 -1.33 0.00 0.00 175.26 174.34 2dif s SER 9 N -0.27 -0.17 -0.01 0.83 0.01 -1.26 -5.14 113.70 107.70 2dif s SER 9 Ca 0.30 0.83 0.05 0.00 1.31 0.00 0.00 55.95 58.45 2dif s SER 9 Cb -0.18 1.31 -0.01 0.00 0.21 0.00 0.00 66.02 67.34 2dif s SER 9 CO 0.17 -0.25 -0.15 -0.76 0.41 0.00 0.00 173.24 172.66 2dif s LEU 10 N 2.60 2.03 0.09 2.44 1.43 -1.26 -2.29 118.68 123.71 2dif s LEU 10 Ca 0.02 -0.28 -0.35 0.00 -1.03 0.00 0.00 54.13 52.49 2dif s LEU 10 Cb -0.13 -0.79 -0.18 0.00 0.03 0.00 0.00 46.19 45.12 2dif s LEU 10 CO -0.13 0.19 0.89 0.00 0.23 0.00 0.00 176.35 177.52 2dif n PRO 12 N 1.36 0.36 0.01 0.00 -0.04 -1.26 -0.35 135.00 135.08 2dif n PRO 12 Ca 0.19 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2dif n PRO 12 Cb 0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.13 0.00 0.21 0.54 6.02 -1.26 -4.80 117.38 116.96 2dif n GLN 13 Ca 0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 2dif n GLN 13 Cb 0.08 -0.30 0.16 0.00 1.02 0.00 0.00 30.24 31.20 2dif n GLN 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dif h HIS 14 N 0.00 0.00 -4.43 1.08 3.86 -1.94 -3.47 115.15 110.25 2dif h HIS 14 Ca 0.00 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.81 2dif h HIS 14 Cb 0.50 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.00 2dif h HIS 14 CO 0.00 0.00 -0.58 0.72 0.86 0.00 0.00 177.93 178.93 2dif n HIS 15 N -3.07 -1.81 -4.19 2.45 8.25 0.53 -4.89 115.22 112.48 2dif n HIS 15 Ca 0.04 0.43 -0.25 0.00 -0.26 0.00 0.00 57.72 57.68 2dif n HIS 15 Cb 0.53 -4.15 -0.07 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 -5.65 2.53 0.17 -0.41 0.41 -1.26 -4.66 118.70 109.83 2dif s GLU 16 Ca 0.27 -1.13 -0.32 0.00 -0.41 0.00 0.00 54.97 53.38 2dif s GLU 16 Cb -0.12 -2.39 -0.12 0.00 -1.78 0.00 0.00 34.13 29.72 2dif s GLU 16 CO 0.33 0.43 1.74 0.00 -0.49 0.00 0.00 175.26 177.28 2dif n ALA 17 N -0.49 2.36 -2.70 5.21 0.00 -1.26 -0.57 120.51 123.06 2dif n ALA 17 Ca -0.08 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 2dif n ALA 17 Cb 0.56 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 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 1.68 4.20 -0.18 0.00 1.43 -0.97 -4.31 118.68 120.53 2dif s LEU 18 Ca 0.78 -2.28 0.09 0.00 -1.03 0.00 0.00 54.13 51.70 2dif s LEU 18 Cb -0.53 -2.51 0.57 0.00 0.03 0.00 0.00 46.19 43.74 2dif s LEU 18 CO 0.35 -1.14 1.39 -0.24 0.23 0.00 0.00 176.35 176.94 2dif n SER 19 N 7.65 4.26 -3.85 2.29 2.88 -1.26 -4.82 113.62 120.76 2dif n SER 19 Ca 0.39 -2.69 -0.09 0.00 -1.33 0.00 0.00 58.87 55.16 2dif n SER 19 Cb 0.47 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.95 1.40 -0.12 2.46 1.43 -1.22 -3.52 118.68 117.16 2dif s LEU 20 Ca 0.38 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 2dif s LEU 20 Cb 0.29 1.05 0.06 0.00 0.03 0.00 0.00 46.19 47.63 2dif s LEU 20 CO 0.11 -0.72 0.21 0.12 0.23 0.00 0.00 176.35 176.29 2dif s PHE 21 N -3.80 -0.28 -0.19 0.29 5.36 0.09 -2.47 117.98 116.97 2dif s PHE 21 Ca 0.04 0.68 -0.29 0.00 -0.96 0.00 0.00 56.93 56.40 2dif s PHE 21 Cb 0.05 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.53 2dif s PHE 21 CO -0.11 -0.36 1.05 0.00 -1.46 0.00 0.00 175.22 174.35 2dif h TYR 23 N 7.43 -0.62 -0.35 0.00 0.05 -0.91 0.85 116.97 123.42 2dif h TYR 23 Ca -0.23 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.58 2dif h TYR 23 Cb 1.09 0.21 -0.08 0.00 1.01 0.00 0.00 36.73 38.95 2dif h TYR 23 CO 0.74 -0.30 -0.55 1.49 -1.05 0.00 0.00 178.16 178.50 2dif h GLU 24 N -1.00 -0.42 0.00 4.88 4.22 -1.93 0.59 114.58 120.92 2dif h GLU 24 Ca -0.07 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2dif h GLU 24 Cb 0.60 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2dif h GLU 24 CO 0.11 -0.28 0.00 -0.25 -2.18 0.00 0.00 179.01 176.41 2dif n ASP 25 N -5.39 0.00 -2.28 1.04 8.00 -1.24 -4.84 116.55 111.83 2dif n ASP 25 Ca -0.04 0.44 -0.10 0.00 0.71 0.00 0.00 54.79 55.80 2dif n ASP 25 Cb 0.35 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.47 -2.19 -4.34 -1.24 1.13 0.21 -4.92 117.38 104.55 2dif n GLN 26 Ca 0.04 0.51 -0.18 0.00 -1.94 0.00 0.00 57.00 55.43 2dif n GLN 26 Cb 0.17 -5.03 -0.10 0.00 0.11 0.00 0.00 30.24 25.39 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 -4.70 1.32 -0.22 -1.09 -1.05 -0.88 -4.99 118.70 107.09 2dif s GLU 27 Ca 0.00 -1.60 -0.16 0.00 -0.15 0.00 0.00 54.97 53.06 2dif s GLU 27 Cb 0.00 -1.04 -0.04 0.00 -0.44 0.00 0.00 34.13 32.62 2dif s GLU 27 CO 0.00 0.14 0.43 0.00 0.95 0.00 0.00 175.26 176.78 2dif s ALA 28 N -3.04 3.56 0.50 -0.84 0.00 -1.26 -0.80 121.76 119.88 2dif s ALA 28 Ca 0.23 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2dif s ALA 28 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 2dif s ALA 28 CO 0.07 -0.46 0.09 0.14 0.00 0.00 0.00 175.76 175.59 2dif s VAL 29 N 1.67 1.38 0.55 0.00 -7.23 -1.03 -4.95 120.40 110.79 2dif s VAL 29 Ca 0.19 -1.89 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2dif s VAL 29 Cb -0.15 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.58 2dif s VAL 29 CO 0.09 0.00 0.56 0.00 -0.31 0.00 0.00 175.10 175.44 2dif h LEU 31 N 0.53 -0.01 -0.76 0.00 3.38 -1.93 -1.49 115.31 115.03 2dif h LEU 31 Ca -0.34 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2dif h LEU 31 Cb 1.30 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 2dif h LEU 31 CO 0.50 -0.00 -0.55 0.40 0.09 0.00 0.00 178.44 178.88 2dif h ILE 32 N -0.01 0.01 -0.68 1.22 2.04 -1.97 -1.56 117.51 116.57 2dif h ILE 32 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2dif h ILE 32 Cb 0.01 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.01 2dif h ILE 32 CO -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.70 2dif n ALA 34 N -3.15 0.34 -0.25 0.00 0.00 -0.57 0.17 120.51 117.04 2dif n ALA 34 Ca 0.01 0.87 0.06 0.00 0.00 0.00 0.00 53.44 54.38 2dif n ALA 34 Cb 0.21 -0.60 0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 -5.19 -0.30 0.02 0.00 2.08 0.68 0.47 119.36 117.12 2dif n ILE 35 Ca 0.17 1.59 -0.12 0.00 0.56 0.00 0.00 62.75 64.95 2dif n ILE 35 Cb 0.55 -2.24 -0.09 0.00 -0.75 0.00 0.00 39.64 37.10 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2dif h SER 36 N 0.00 -0.11 0.21 4.38 0.02 -0.39 -2.90 113.55 114.76 2dif h SER 36 Ca 0.37 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2dif h SER 36 Cb 0.63 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2dif h SER 36 CO -0.70 0.45 -0.40 0.45 -1.14 0.00 0.00 176.83 175.48 2dif h HIS 37 N -0.72 -1.13 -1.02 3.45 3.86 -0.04 -1.68 115.15 117.86 2dif h HIS 37 Ca -0.01 0.02 0.29 0.00 -1.16 0.00 0.00 60.37 59.51 2dif h HIS 37 Cb 0.56 0.47 -0.13 0.00 1.06 0.00 0.00 27.41 29.36 2dif h HIS 37 CO 0.10 -0.48 0.60 1.15 0.86 0.00 0.00 177.93 180.16 2dif h THR 38 N -0.66 0.40 -0.13 2.45 2.02 -0.12 0.92 112.91 117.80 2dif h THR 38 Ca -0.02 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2dif h THR 38 Cb 0.62 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2dif h THR 38 CO -0.15 0.08 -0.07 -0.74 0.37 0.00 0.00 175.52 175.00 2dif h HIS 39 N 0.42 0.19 -0.26 3.16 6.17 -1.11 -0.78 115.15 122.94 2dif h HIS 39 Ca 0.69 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.76 2dif h HIS 39 Cb 1.52 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.39 2dif h HIS 39 CO -0.01 0.27 0.00 0.54 0.71 0.00 0.00 177.93 179.44 2dif n ARG 40 N -4.35 1.64 -2.67 5.26 5.12 0.31 -4.87 116.66 117.10 2dif n ARG 40 Ca -0.01 -0.95 -0.10 0.00 -1.93 0.00 0.00 57.85 54.87 2dif n ARG 40 Cb 0.21 -1.23 0.02 0.00 -1.16 0.00 0.00 32.46 30.30 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 0.26 -0.44 -2.69 7.54 0.00 -0.30 -5.01 120.51 119.87 2dif n ALA 41 Ca 0.09 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 2dif n ALA 41 Cb 0.24 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 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 -2.88 3.45 -0.48 0.00 3.76 -0.93 -5.00 115.29 113.20 2dif s HIS 42 Ca 0.16 0.88 -0.27 0.00 -0.15 0.00 0.00 55.06 55.68 2dif s HIS 42 Cb -0.07 -2.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 2dif s HIS 42 CO 0.20 0.02 1.84 0.99 -0.85 0.00 0.00 174.74 176.93 2dif s THR 43 N 1.16 3.42 -0.05 1.30 2.01 -1.26 -4.28 115.64 117.94 2dif s THR 43 Ca 0.27 0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.68 2dif s THR 43 Cb -0.16 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2dif s THR 43 CO 0.11 -0.67 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.43 2dif s VAL 44 N 8.16 2.06 0.02 3.82 1.01 -1.26 -0.26 120.40 133.95 2dif s VAL 44 Ca 0.73 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2dif s VAL 44 Cb -0.17 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2dif s VAL 44 CO 0.27 0.57 -0.04 0.68 0.00 0.00 0.00 175.10 176.58 2dif s VAL 45 N -0.30 0.23 0.39 2.92 -7.23 -0.98 -4.92 120.40 110.51 2dif s VAL 45 Ca 0.01 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 2dif s VAL 45 Cb -0.13 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 2dif s VAL 45 CO 0.02 -0.41 1.19 -2.16 -0.31 0.00 0.00 175.10 173.43 2dif s PRO 46 N -1.35 4.10 -0.05 4.82 0.04 -1.26 -0.73 135.00 140.58 2dif s PRO 46 Ca -0.13 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2dif s PRO 46 Cb -0.09 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 2dif s PRO 46 CO -0.01 -0.30 -0.03 -0.07 0.04 0.00 0.00 177.00 176.64 2dif h LEU 47 N 2.78 0.00 -1.25 -3.56 4.07 -1.87 -3.34 115.31 112.13 2dif h LEU 47 Ca -0.49 0.00 0.36 0.00 0.08 0.00 0.00 57.88 57.84 2dif h LEU 47 Cb 1.23 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.92 2dif h LEU 47 CO 0.63 0.24 1.27 -0.24 -1.08 0.00 0.00 178.44 179.25 2dif n SER 48 N -3.12 0.00 0.00 -0.43 2.88 -1.26 -4.84 113.62 106.84 2dif n SER 48 Ca -0.01 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2dif n SER 48 Cb 0.04 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 -1.76 0.40 3.77 0.46 0.00 -1.26 -5.06 105.19 101.74 2dif n GLY 49 Ca 0.28 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.29 4.19 0.25 1.61 0.04 -1.26 -4.82 135.00 134.72 2dif s PRO 50 Ca 0.00 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2dif s PRO 50 Cb 0.00 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 2dif s PRO 50 CO 0.00 -0.23 0.03 0.45 0.04 0.00 0.00 177.00 177.29 2dif s SER 51 N -0.92 1.72 -0.22 6.66 0.15 -1.26 -5.14 113.70 114.68 2dif s SER 51 Ca 0.53 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2dif s SER 51 Cb -0.34 0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 2dif s SER 51 CO 0.43 -0.59 -0.12 -0.44 1.20 0.00 0.00 173.24 173.72 2dif s SER 52 N -3.33 3.88 0.00 5.45 0.01 -1.26 -5.27 113.70 113.18 2dif s SER 52 Ca 0.32 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dif s SER 52 Cb 0.07 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2dif s SER 52 CO 0.11 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.28