#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 1.80 0.15 1.61 0.01 -1.26 -5.11 113.70 110.90 2dif s SER 2 Ca 0.00 -1.63 -0.31 0.00 1.31 0.00 0.00 55.95 55.32 2dif s SER 2 Cb 0.00 0.46 -0.11 0.00 0.21 0.00 0.00 66.02 66.58 2dif s SER 2 CO 0.00 -0.94 1.78 -0.44 0.41 0.00 0.00 173.24 174.05 2dif s SER 3 N -3.42 6.42 1.01 2.44 0.01 -1.26 -4.95 113.70 113.96 2dif s SER 3 Ca 0.34 2.77 -0.13 0.00 1.31 0.00 0.00 55.95 60.25 2dif s SER 3 Cb 0.04 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.81 2dif s SER 3 CO 0.19 -0.98 0.65 0.61 0.41 0.00 0.00 173.24 174.12 2dif n GLY 4 N 4.13 -1.61 3.56 3.44 0.00 -1.26 -4.84 105.19 108.61 2dif n GLY 4 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.23 5.69 0.00 1.61 0.01 -1.26 -4.71 113.70 112.81 2dif s SER 5 Ca 0.61 0.30 -0.00 0.00 1.31 0.00 0.00 55.95 58.17 2dif s SER 5 Cb -0.21 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 2dif s SER 5 CO 0.64 -2.05 -0.01 -1.20 0.41 0.00 0.00 173.24 171.03 2dif n SER 6 N 11.17 0.13 0.00 2.44 7.64 -1.26 -5.04 113.62 128.70 2dif n SER 6 Ca 0.16 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2dif n SER 6 Cb 0.50 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2dif n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 7 N 3.00 0.00 2.93 0.23 0.00 -1.26 -5.17 105.19 104.92 2dif n GLY 7 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2dif n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dif s GLU 8 N 0.00 0.15 -0.23 1.61 2.02 -1.26 -5.14 118.70 115.86 2dif s GLU 8 Ca 0.00 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 2dif s GLU 8 Cb 0.00 0.05 0.11 0.00 0.10 0.00 0.00 34.13 34.40 2dif s GLU 8 CO 0.00 -0.02 0.29 0.45 0.02 0.00 0.00 175.26 175.99 2dif s SER 9 N -0.66 0.94 0.02 -0.19 0.15 -1.26 -5.03 113.70 107.67 2dif s SER 9 Ca -0.07 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.54 2dif s SER 9 Cb -0.05 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2dif s SER 9 CO -0.00 -0.32 -0.06 -0.76 1.20 0.00 0.00 173.24 173.29 2dif s LEU 10 N 2.42 3.19 0.28 3.45 1.43 -1.26 -2.58 118.68 125.60 2dif s LEU 10 Ca 0.09 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2dif s LEU 10 Cb -0.15 -1.86 -0.12 0.00 0.03 0.00 0.00 46.19 44.09 2dif s LEU 10 CO -0.15 0.26 1.58 0.00 0.23 0.00 0.00 176.35 178.27 2dif n PRO 12 N 2.26 0.47 0.00 0.00 -0.04 -1.26 -0.05 135.00 136.37 2dif n PRO 12 Ca 0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2dif n PRO 12 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.02 0.00 0.04 0.54 -0.06 -1.26 -4.80 117.38 110.82 2dif n GLN 13 Ca 0.11 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.24 2dif n GLN 13 Cb 0.06 -0.33 0.30 0.00 -4.06 0.00 0.00 30.24 26.21 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 -2.62 0.38 -4.30 3.69 8.25 -1.24 -4.93 115.22 114.46 2dif n HIS 14 Ca 0.00 0.11 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 2dif n HIS 14 Cb 0.24 -0.57 -0.06 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 -1.88 -1.34 -4.69 4.41 8.25 0.92 -4.85 115.22 116.04 2dif n HIS 15 Ca 0.05 0.65 -0.31 0.00 -0.26 0.00 0.00 57.72 57.85 2dif n HIS 15 Cb 0.39 -2.01 -0.13 0.00 1.12 0.00 0.00 29.99 29.37 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 -6.98 2.10 -0.44 -0.41 0.41 -1.26 -4.73 118.70 107.39 2dif s GLU 16 Ca 0.75 -0.96 -0.35 0.00 -0.41 0.00 0.00 54.97 53.99 2dif s GLU 16 Cb -0.43 -2.20 -0.13 0.00 -1.78 0.00 0.00 34.13 29.59 2dif s GLU 16 CO 0.91 0.55 2.25 0.00 -0.49 0.00 0.00 175.26 178.48 2dif n ALA 17 N 1.63 0.87 -1.85 5.21 0.00 -1.26 -3.02 120.51 122.09 2dif n ALA 17 Ca -0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2dif n ALA 17 Cb 0.52 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 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 7.66 4.37 0.00 0.00 1.43 -1.06 -4.68 118.68 126.40 2dif s LEU 18 Ca 1.13 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.98 2dif s LEU 18 Cb -0.93 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2dif s LEU 18 CO 0.50 -0.81 0.00 -0.24 0.23 0.00 0.00 176.35 176.02 2dif n SER 19 N 2.82 3.45 -4.81 2.29 2.88 -1.25 -4.98 113.62 114.02 2dif n SER 19 Ca 0.10 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.41 2dif n SER 19 Cb 0.39 0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.72 3.33 -0.06 2.46 1.43 -1.09 -1.74 118.68 120.29 2dif s LEU 20 Ca 0.00 -0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 52.28 2dif s LEU 20 Cb 0.00 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2dif s LEU 20 CO 0.00 -0.51 0.14 0.12 0.23 0.00 0.00 176.35 176.33 2dif s PHE 21 N -2.47 -0.15 -0.18 0.29 2.19 0.69 -1.55 117.98 116.80 2dif s PHE 21 Ca 0.43 0.45 -0.18 0.00 0.33 0.00 0.00 56.93 57.96 2dif s PHE 21 Cb -0.02 -0.07 -0.04 0.00 -1.31 0.00 0.00 43.02 41.59 2dif s PHE 21 CO 0.25 -0.15 0.48 0.00 1.83 0.00 0.00 175.22 177.64 2dif h TYR 23 N 7.28 0.14 -0.20 0.00 0.05 -1.65 -1.33 116.97 121.26 2dif h TYR 23 Ca -0.36 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.39 2dif h TYR 23 Cb 1.16 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.83 2dif h TYR 23 CO 0.68 0.78 -0.41 0.93 -1.05 0.00 0.00 178.16 179.09 2dif h GLU 24 N -0.53 -0.35 0.00 4.88 4.39 -1.94 0.21 114.58 121.24 2dif h GLU 24 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dif h GLU 24 Cb 0.79 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2dif h GLU 24 CO 0.02 -0.23 0.00 -0.25 -1.16 0.00 0.00 179.01 177.39 2dif n ASP 25 N -4.67 0.59 -3.56 1.42 8.00 -1.26 -4.89 116.55 112.18 2dif n ASP 25 Ca -0.04 0.65 -0.22 0.00 0.71 0.00 0.00 54.79 55.89 2dif n ASP 25 Cb 0.26 -0.77 0.08 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.15 -7.29 -4.00 -1.24 0.00 0.72 -4.99 117.38 98.43 2dif n GLN 26 Ca 0.02 0.82 -0.09 0.00 -0.00 0.00 0.00 57.00 57.75 2dif n GLN 26 Cb 0.22 -5.84 -0.06 0.00 0.00 0.00 0.00 30.24 24.57 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2dif s GLU 27 N -5.99 1.47 0.14 3.69 -1.05 -0.60 -5.02 118.70 111.34 2dif s GLU 27 Ca 0.37 -1.26 -0.17 0.00 -0.15 0.00 0.00 54.97 53.76 2dif s GLU 27 Cb -0.16 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 2dif s GLU 27 CO 0.74 -0.59 0.59 0.00 0.95 0.00 0.00 175.26 176.94 2dif s ALA 28 N -4.02 3.55 0.03 -0.84 0.00 -1.26 -0.19 121.76 119.03 2dif s ALA 28 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2dif s ALA 28 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2dif s ALA 28 CO 0.08 0.41 -0.06 0.14 0.00 0.00 0.00 175.76 176.34 2dif s VAL 29 N -1.37 0.35 0.64 0.00 -7.23 -0.60 -4.85 120.40 107.35 2dif s VAL 29 Ca 0.36 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.48 2dif s VAL 29 Cb -0.17 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2dif s VAL 29 CO 0.19 -0.38 1.06 0.00 -0.31 0.00 0.00 175.10 175.66 2dif h LEU 31 N -0.15 0.10 -0.14 0.00 8.10 -1.92 0.23 115.31 121.52 2dif h LEU 31 Ca -0.45 0.21 0.01 0.00 0.11 0.00 0.00 57.88 57.76 2dif h LEU 31 Cb 1.21 0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 41.68 2dif h LEU 31 CO 0.57 -0.19 0.05 0.40 -4.11 0.00 0.00 178.44 175.15 2dif h ILE 32 N 0.20 0.97 0.24 0.15 2.04 -1.98 -3.11 117.51 116.01 2dif h ILE 32 Ca 0.62 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.45 2dif h ILE 32 Cb 1.35 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2dif h ILE 32 CO -0.68 0.02 -0.49 0.00 0.00 0.00 0.00 178.15 177.00 2dif n ALA 34 N -2.86 0.60 -0.30 0.00 0.00 -0.90 0.95 120.51 117.99 2dif n ALA 34 Ca -0.09 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.07 2dif n ALA 34 Cb 0.40 -0.64 0.10 0.00 0.00 0.00 0.00 19.45 19.31 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 0.14 0.30 0.00 1.08 -1.32 0.10 117.51 117.80 2dif h ILE 35 Ca 0.53 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.98 2dif h ILE 35 Cb 1.33 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2dif h ILE 35 CO -0.54 0.00 -0.15 0.28 -0.69 0.00 0.00 178.15 177.05 2dif h SER 36 N -0.01 -0.35 -0.31 1.72 0.02 0.44 -3.29 113.55 111.77 2dif h SER 36 Ca 0.40 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 2dif h SER 36 Cb 0.62 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 2dif h SER 36 CO -0.88 -0.01 -0.19 1.41 -1.14 0.00 0.00 176.83 176.02 2dif n HIS 37 N -4.40 -0.14 -0.29 3.45 8.25 -0.98 0.84 115.22 121.95 2dif n HIS 37 Ca -0.05 0.39 0.17 0.00 -0.26 0.00 0.00 57.72 57.98 2dif n HIS 37 Cb 0.16 -0.47 0.33 0.00 1.12 0.00 0.00 29.99 31.14 2dif n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2dif n THR 38 N -3.67 -0.36 -0.25 1.59 -1.04 -0.02 0.23 114.28 110.78 2dif n THR 38 Ca 0.01 1.82 -0.07 0.00 -2.04 0.00 0.00 64.05 63.77 2dif n THR 38 Cb 0.08 -2.75 0.04 0.00 -1.82 0.00 0.00 70.33 65.88 2dif n THR 38 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2dif h HIS 39 N 0.00 1.11 -0.12 -1.42 6.17 0.38 -2.77 115.15 118.50 2dif h HIS 39 Ca 0.58 -0.11 -0.08 0.00 0.71 0.00 0.00 60.37 61.47 2dif h HIS 39 Cb 1.34 -0.32 -0.03 0.00 2.52 0.00 0.00 27.41 30.91 2dif h HIS 39 CO -0.30 0.89 0.10 0.54 0.71 0.00 0.00 177.93 179.87 2dif n ARG 40 N -4.31 1.19 -3.71 5.26 1.74 0.63 -4.76 116.66 112.71 2dif n ARG 40 Ca 0.05 -0.38 -0.27 0.00 -0.77 0.00 0.00 57.85 56.48 2dif n ARG 40 Cb 0.22 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dif n ALA 41 N 1.16 -1.12 -2.66 7.54 0.00 -1.04 -4.89 120.51 119.49 2dif n ALA 41 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 2dif n ALA 41 Cb 0.53 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.91 3.32 0.19 0.00 3.76 -0.87 -5.00 115.29 113.78 2dif s HIS 42 Ca 0.52 0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 55.43 2dif s HIS 42 Cb -0.29 -2.33 -0.10 0.00 1.11 0.00 0.00 32.58 30.97 2dif s HIS 42 CO 0.64 0.04 1.50 0.99 -0.85 0.00 0.00 174.74 177.05 2dif s THR 43 N 1.15 2.70 -0.04 1.30 2.01 -1.26 -3.67 115.64 117.82 2dif s THR 43 Ca 0.10 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2dif s THR 43 Cb -0.14 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2dif s THR 43 CO 0.05 0.06 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.33 2dif s VAL 44 N 0.67 0.36 0.02 3.82 1.01 -1.26 -1.93 120.40 123.09 2dif s VAL 44 Ca 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2dif s VAL 44 Cb -0.42 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2dif s VAL 44 CO 0.36 0.19 -0.04 0.68 0.00 0.00 0.00 175.10 176.30 2dif s VAL 45 N 1.06 0.17 0.23 2.92 -7.23 -0.59 -4.94 120.40 112.02 2dif s VAL 45 Ca -0.09 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 2dif s VAL 45 Cb -0.14 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 2dif s VAL 45 CO -0.01 -0.46 1.28 -2.16 -0.31 0.00 0.00 175.10 173.44 2dif s PRO 46 N -1.41 4.41 -0.02 4.82 0.04 -1.26 -0.22 135.00 141.36 2dif s PRO 46 Ca -0.14 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2dif s PRO 46 Cb -0.10 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2dif s PRO 46 CO -0.01 -0.19 0.56 -0.07 0.04 0.00 0.00 177.00 177.34 2dif h LEU 47 N 4.85 -0.30 -2.25 -3.56 4.07 -1.64 -3.27 115.31 113.21 2dif h LEU 47 Ca -0.46 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.43 2dif h LEU 47 Cb 1.22 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.98 2dif h LEU 47 CO 0.74 -0.03 0.11 -0.24 -1.08 0.00 0.00 178.44 177.94 2dif n SER 48 N -3.97 2.89 -0.09 -0.43 2.88 -1.26 -5.00 113.62 108.64 2dif n SER 48 Ca -0.04 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 2dif n SER 48 Cb 0.14 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 0.08 -1.81 3.77 0.46 0.00 -1.24 -4.90 105.19 101.55 2dif n GLY 49 Ca 0.14 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 2.67 -0.53 1.61 0.04 -1.26 -4.79 135.00 132.74 2dif s PRO 50 Ca 0.00 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 2dif s PRO 50 Cb 0.00 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2dif s PRO 50 CO 0.00 -1.35 0.52 0.45 0.04 0.00 0.00 177.00 176.67 2dif s SER 51 N -2.79 6.18 0.82 6.66 0.15 -1.26 -5.06 113.70 118.41 2dif s SER 51 Ca 0.65 -1.49 -0.14 0.00 0.70 0.00 0.00 55.95 55.67 2dif s SER 51 Cb -0.20 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 61.94 2dif s SER 51 CO 0.45 -0.85 0.92 -0.24 1.20 0.00 0.00 173.24 174.72 2dif n SER 52 N 5.55 0.00 0.00 5.45 2.88 -1.26 -5.31 113.62 120.93 2dif n SER 52 Ca -0.12 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2dif n SER 52 Cb 0.42 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2dif n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42