#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 5.97 -0.01 1.61 0.15 -1.26 -5.09 113.70 115.08 2dif s SER 2 Ca 0.00 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.79 2dif s SER 2 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2dif s SER 2 CO 0.00 0.12 -0.05 -0.55 1.20 0.00 0.00 173.24 173.96 2dif s SER 3 N 0.70 0.68 -0.38 5.45 0.15 -1.26 -5.07 113.70 113.97 2dif s SER 3 Ca 0.06 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.74 2dif s SER 3 Cb -0.13 -0.12 0.38 0.00 -1.71 0.00 0.00 66.02 64.44 2dif s SER 3 CO 0.01 0.05 0.81 0.61 1.20 0.00 0.00 173.24 175.93 2dif n GLY 4 N 3.12 3.34 3.38 9.45 0.00 -1.26 -5.04 105.19 118.17 2dif n GLY 4 Ca -0.15 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.17 2dif n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dif s SER 5 N -2.72 -1.20 -0.50 1.61 0.15 -1.26 -5.04 113.70 104.73 2dif s SER 5 Ca 0.38 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.21 2dif s SER 5 Cb 0.37 2.17 0.44 0.00 -1.71 0.00 0.00 66.02 67.29 2dif s SER 5 CO -0.06 -0.23 1.57 -1.54 1.20 0.00 0.00 173.24 174.19 2dif n SER 6 N 5.42 6.18 0.00 5.45 3.41 -1.26 -4.83 113.62 127.99 2dif n SER 6 Ca -0.07 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2dif n SER 6 Cb 0.50 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2dif n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dif n GLY 7 N -0.74 2.52 3.59 5.00 0.00 -1.26 -5.12 105.19 109.18 2dif n GLY 7 Ca 0.51 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 2dif n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dif n GLU 8 N 0.00 1.36 -3.61 1.61 2.13 -1.26 -4.95 120.64 115.93 2dif n GLU 8 Ca 0.00 0.48 -0.36 0.00 0.66 0.00 0.00 57.16 57.94 2dif n GLU 8 Cb 0.00 -1.92 -0.08 0.00 0.27 0.00 0.00 31.44 29.71 2dif n GLU 8 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2dif s SER 9 N -0.30 6.30 -0.02 4.31 1.04 -1.26 -4.94 113.70 118.84 2dif s SER 9 Ca 0.64 0.34 0.05 0.00 0.48 0.00 0.00 55.95 57.46 2dif s SER 9 Cb -0.74 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.22 2dif s SER 9 CO 0.56 0.10 -0.18 -0.76 0.98 0.00 0.00 173.24 173.94 2dif s LEU 10 N 0.64 2.02 0.23 2.42 1.43 -1.26 -1.97 118.68 122.18 2dif s LEU 10 Ca 0.12 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 2dif s LEU 10 Cb -0.13 -0.94 -0.14 0.00 0.03 0.00 0.00 46.19 45.02 2dif s LEU 10 CO 0.02 0.21 1.34 0.00 0.23 0.00 0.00 176.35 178.16 2dif n PRO 12 N 1.92 0.47 0.00 0.00 -0.04 -1.26 0.33 135.00 136.42 2dif n PRO 12 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2dif n PRO 12 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 -4.79 117.38 110.83 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 -0.41 0.23 0.00 -4.06 0.00 0.00 30.24 26.06 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 -2.67 0.37 -4.26 3.69 8.25 -1.24 -4.95 115.22 114.42 2dif n HIS 14 Ca 0.00 0.11 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 2dif n HIS 14 Cb 0.31 -0.54 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 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 -1.91 -1.60 -4.46 4.41 8.25 0.15 -4.85 115.22 115.21 2dif n HIS 15 Ca 0.04 0.76 -0.25 0.00 -0.26 0.00 0.00 57.72 58.02 2dif n HIS 15 Cb 0.40 -2.83 -0.10 0.00 1.12 0.00 0.00 29.99 28.58 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 1.87 0.01 -0.41 0.41 -1.26 -4.73 118.70 107.62 2dif s GLU 16 Ca 0.63 -1.82 -0.31 0.00 -0.41 0.00 0.00 54.97 53.06 2dif s GLU 16 Cb -0.35 -1.80 -0.10 0.00 -1.78 0.00 0.00 34.13 30.10 2dif s GLU 16 CO 0.95 0.21 1.94 0.00 -0.49 0.00 0.00 175.26 177.86 2dif n ALA 17 N -0.79 1.45 -2.84 5.21 0.00 -1.26 -1.95 120.51 120.33 2dif n ALA 17 Ca -0.05 0.24 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2dif n ALA 17 Cb 0.62 -2.63 -0.00 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 4.19 4.69 -0.21 0.00 1.43 -0.83 -4.36 118.68 123.58 2dif s LEU 18 Ca 0.89 -2.68 0.05 0.00 -1.03 0.00 0.00 54.13 51.37 2dif s LEU 18 Cb -0.51 -2.45 0.46 0.00 0.03 0.00 0.00 46.19 43.72 2dif s LEU 18 CO 0.44 -0.92 1.42 -1.20 0.23 0.00 0.00 176.35 176.32 2dif n SER 19 N 6.56 3.70 -4.01 2.29 7.64 -1.26 -4.85 113.62 123.69 2dif n SER 19 Ca 0.38 -2.79 -0.09 0.00 1.01 0.00 0.00 58.87 57.38 2dif n SER 19 Cb 0.45 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.87 1.52 -0.11 -3.43 1.43 -1.19 -3.28 118.68 111.75 2dif s LEU 20 Ca 0.34 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2dif s LEU 20 Cb 0.28 0.76 0.05 0.00 0.03 0.00 0.00 46.19 47.31 2dif s LEU 20 CO 0.08 -0.77 0.25 0.12 0.23 0.00 0.00 176.35 176.27 2dif s PHE 21 N -3.96 -0.35 -0.39 0.29 5.36 0.40 -2.62 117.98 116.72 2dif s PHE 21 Ca 0.15 0.83 -0.18 0.00 -0.96 0.00 0.00 56.93 56.76 2dif s PHE 21 Cb 0.05 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 2dif s PHE 21 CO -0.04 -0.26 0.51 0.00 -1.46 0.00 0.00 175.22 173.98 2dif h TYR 23 N 8.61 1.14 0.47 0.00 0.05 -1.01 0.15 116.97 126.39 2dif h TYR 23 Ca -0.27 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 2dif h TYR 23 Cb 1.12 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 2dif h TYR 23 CO 0.70 0.79 -0.45 0.93 -1.05 0.00 0.00 178.16 179.07 2dif h GLU 24 N 1.17 -0.90 0.00 4.88 3.07 -1.93 -1.15 114.58 119.72 2dif h GLU 24 Ca 0.30 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2dif h GLU 24 Cb 0.01 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2dif h GLU 24 CO -0.05 -0.60 0.00 -0.25 -1.40 0.00 0.00 179.01 176.71 2dif n ASP 25 N -5.54 0.00 -3.21 1.42 9.92 -1.17 -4.86 116.55 113.12 2dif n ASP 25 Ca -0.11 -1.88 -0.21 0.00 -0.53 0.00 0.00 54.79 52.06 2dif n ASP 25 Cb 0.43 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.87 2dif n ASP 25 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2dif n GLN 26 N -0.56 -1.47 -4.36 -1.24 -0.06 0.00 -4.83 117.38 104.86 2dif n GLN 26 Ca 0.03 0.07 -0.21 0.00 -2.00 0.00 0.00 57.00 54.89 2dif n GLN 26 Cb 0.01 -3.67 -0.08 0.00 -4.06 0.00 0.00 30.24 22.44 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 -5.19 1.77 0.01 3.69 -1.05 -0.97 -5.01 118.70 111.96 2dif s GLU 27 Ca 0.41 -2.04 -0.03 0.00 -0.15 0.00 0.00 54.97 53.15 2dif s GLU 27 Cb -0.24 -0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 2dif s GLU 27 CO 0.50 -0.56 0.22 0.00 0.95 0.00 0.00 175.26 176.37 2dif s ALA 28 N -3.42 3.93 0.03 -0.84 0.00 -1.26 -1.12 121.76 119.08 2dif s ALA 28 Ca 0.34 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 2dif s ALA 28 Cb 0.03 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2dif s ALA 28 CO 0.21 0.74 0.09 0.14 0.00 0.00 0.00 175.76 176.94 2dif s VAL 29 N -1.37 0.12 0.54 0.00 -7.23 -1.08 -4.88 120.40 106.51 2dif s VAL 29 Ca 0.29 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 2dif s VAL 29 Cb -0.13 -0.78 0.12 0.00 0.56 0.00 0.00 36.38 36.16 2dif s VAL 29 CO 0.20 -0.57 0.74 0.00 -0.31 0.00 0.00 175.10 175.16 2dif h LEU 31 N 0.00 -0.18 0.42 0.00 6.46 -1.94 -2.36 115.31 117.71 2dif h LEU 31 Ca -0.24 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2dif h LEU 31 Cb 0.71 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2dif h LEU 31 CO 0.19 -0.12 -0.42 0.40 -0.62 0.00 0.00 178.44 177.87 2dif h ILE 32 N -0.19 0.16 -0.36 4.05 2.04 -1.96 -3.01 117.51 118.24 2dif h ILE 32 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2dif h ILE 32 Cb 0.16 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 2dif h ILE 32 CO 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.84 2dif n ALA 34 N -3.00 -0.26 -0.25 0.00 0.00 -0.89 0.60 120.51 116.70 2dif n ALA 34 Ca -0.01 0.68 0.05 0.00 0.00 0.00 0.00 53.44 54.16 2dif n ALA 34 Cb 0.18 -0.23 0.12 0.00 0.00 0.00 0.00 19.45 19.52 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 -5.01 -0.29 0.28 0.00 5.41 -0.53 0.38 119.36 119.59 2dif n ILE 35 Ca 0.05 1.59 -0.11 0.00 1.00 0.00 0.00 62.75 65.27 2dif n ILE 35 Cb 0.25 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 36.91 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dif h SER 36 N 0.00 -0.62 -0.17 4.38 0.02 0.11 -2.90 113.55 114.36 2dif h SER 36 Ca 0.35 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 2dif h SER 36 Cb 0.57 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 2dif h SER 36 CO -0.71 -0.33 -0.51 0.45 -1.14 0.00 0.00 176.83 174.59 2dif h HIS 37 N -0.97 -1.53 -1.55 3.45 3.86 -0.60 0.19 115.15 118.01 2dif h HIS 37 Ca -0.08 0.06 0.45 0.00 -1.16 0.00 0.00 60.37 59.65 2dif h HIS 37 Cb 0.56 0.69 -0.07 0.00 1.06 0.00 0.00 27.41 29.65 2dif h HIS 37 CO 0.04 -0.50 1.10 1.15 0.86 0.00 0.00 177.93 180.58 2dif h THR 38 N -0.51 0.20 -0.12 2.45 2.02 -0.18 1.36 112.91 118.13 2dif h THR 38 Ca 0.04 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 67.03 2dif h THR 38 Cb 0.62 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2dif h THR 38 CO -0.43 0.00 -0.68 -0.74 0.37 0.00 0.00 175.52 174.04 2dif h HIS 39 N 0.03 0.67 -0.21 3.16 6.17 -0.42 -3.01 115.15 121.52 2dif h HIS 39 Ca 0.76 -0.28 -0.07 0.00 0.71 0.00 0.00 60.37 61.50 2dif h HIS 39 Cb 2.94 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 32.72 2dif h HIS 39 CO -0.00 1.03 0.09 0.54 0.71 0.00 0.00 177.93 180.30 2dif n ARG 40 N -3.89 1.67 -3.47 5.26 5.12 0.46 -4.82 116.66 116.99 2dif n ARG 40 Ca -0.04 -0.81 -0.20 0.00 -1.93 0.00 0.00 57.85 54.86 2dif n ARG 40 Cb 0.68 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.56 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 0.11 -1.48 -2.76 7.54 0.00 -1.12 -4.99 120.51 117.81 2dif n ALA 41 Ca 0.12 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 2dif n ALA 41 Cb 0.66 -4.20 -0.10 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 -3.32 3.25 -0.03 0.00 3.76 -0.98 -5.00 115.29 112.97 2dif s HIS 42 Ca 0.35 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 2dif s HIS 42 Cb -0.16 -2.22 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 2dif s HIS 42 CO 0.69 -0.01 1.58 0.99 -0.85 0.00 0.00 174.74 177.14 2dif s THR 43 N 1.04 3.55 0.01 1.30 2.01 -1.26 -4.06 115.64 118.22 2dif s THR 43 Ca 0.06 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.87 2dif s THR 43 Cb -0.14 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2dif s THR 43 CO 0.04 -0.04 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.18 2dif s VAL 44 N 3.41 0.44 0.00 3.82 1.01 -1.26 -0.41 120.40 127.41 2dif s VAL 44 Ca 0.70 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2dif s VAL 44 Cb -0.33 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2dif s VAL 44 CO 0.28 0.02 0.14 0.68 0.00 0.00 0.00 175.10 176.22 2dif s VAL 45 N -0.37 0.08 0.44 2.92 -7.23 -0.40 -4.93 120.40 110.92 2dif s VAL 45 Ca -0.00 -0.67 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 2dif s VAL 45 Cb -0.04 -0.43 -0.08 0.00 0.56 0.00 0.00 36.38 36.40 2dif s VAL 45 CO -0.00 -0.37 1.17 -2.16 -0.31 0.00 0.00 175.10 173.43 2dif s PRO 46 N -1.35 3.85 -0.04 4.82 0.04 -1.26 -0.45 135.00 140.61 2dif s PRO 46 Ca -0.14 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 2dif s PRO 46 Cb -0.07 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 2dif s PRO 46 CO 0.02 -0.48 -0.05 -0.07 0.04 0.00 0.00 177.00 176.46 2dif h LEU 47 N 2.24 0.00 -1.81 -3.56 4.07 -1.86 -3.38 115.31 111.02 2dif h LEU 47 Ca -0.49 0.00 0.50 0.00 0.08 0.00 0.00 57.88 57.96 2dif h LEU 47 Cb 1.24 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.92 2dif h LEU 47 CO 0.61 0.20 1.33 -1.28 -1.08 0.00 0.00 178.44 178.22 2dif h SER 48 N -0.27 0.00 -5.93 -0.43 0.87 -1.91 -3.39 113.55 102.48 2dif h SER 48 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 2dif h SER 48 Cb 0.13 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2dif h SER 48 CO 0.00 0.00 -0.07 0.61 -0.53 0.00 0.00 176.83 176.84 2dif n GLY 49 N -1.87 2.06 1.69 5.77 0.00 -1.26 -5.12 105.19 106.45 2dif n GLY 49 Ca 0.38 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 2dif n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dif n PRO 50 N -1.93 -2.05 -2.64 1.61 -0.04 -1.26 -4.89 135.00 123.81 2dif n PRO 50 Ca 0.11 -0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 62.31 2dif n PRO 50 Cb 0.47 -0.79 -0.04 0.00 -0.04 0.00 0.00 33.50 33.10 2dif n PRO 50 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dif s SER 51 N -2.93 7.35 -0.59 3.54 0.01 -1.26 -4.60 113.70 115.23 2dif s SER 51 Ca 0.34 1.85 -0.02 0.00 1.31 0.00 0.00 55.95 59.43 2dif s SER 51 Cb -0.03 -2.58 0.34 0.00 0.21 0.00 0.00 66.02 63.96 2dif s SER 51 CO 0.26 -0.21 2.10 -0.24 0.41 0.00 0.00 173.24 175.55 2dif n SER 52 N 3.20 7.28 0.00 2.44 2.88 -1.26 -5.08 113.62 123.08 2dif n SER 52 Ca 0.04 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 2dif n SER 52 Cb 0.49 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2dif n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42