#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 0.46 -0.08 1.61 7.64 -1.26 -4.91 113.62 117.08 2dif n SER 2 Ca 0.00 0.13 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 2dif n SER 2 Cb 0.00 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 62.99 2dif n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dif h SER 3 N 0.00 0.00 0.00 6.43 4.64 -2.08 -3.50 113.55 119.04 2dif h SER 3 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2dif h SER 3 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2dif h SER 3 CO 0.00 1.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2dif n GLY 4 N 1.54 1.00 3.28 -0.77 0.00 -1.26 -5.10 105.19 103.88 2dif n GLY 4 Ca -0.19 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2dif n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dif s SER 5 N 0.00 4.27 -0.16 1.61 1.04 -1.26 -4.93 113.70 114.27 2dif s SER 5 Ca 0.00 -0.52 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 2dif s SER 5 Cb 0.00 -1.72 -0.18 0.00 0.10 0.00 0.00 66.02 64.22 2dif s SER 5 CO 0.00 -0.05 0.38 0.28 0.98 0.00 0.00 173.24 174.83 2dif h SER 6 N 8.09 0.00 -3.08 7.02 0.02 -2.04 -3.51 113.55 120.05 2dif h SER 6 Ca -0.40 -0.60 0.31 0.00 -0.84 0.00 0.00 61.79 60.26 2dif h SER 6 Cb 1.15 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2dif h SER 6 CO 0.60 1.11 -0.89 0.61 -1.14 0.00 0.00 176.83 177.12 2dif n GLY 7 N 1.56 -2.45 3.68 -3.77 0.00 -1.26 -4.77 105.19 98.19 2dif n GLY 7 Ca -0.17 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.71 4.19 -0.24 1.61 1.03 -1.26 -5.06 118.70 115.26 2dif s GLU 8 Ca 0.00 0.14 0.00 0.00 0.03 0.00 0.00 54.97 55.14 2dif s GLU 8 Cb 0.00 -3.51 0.06 0.00 -0.80 0.00 0.00 34.13 29.88 2dif s GLU 8 CO 0.00 0.04 -0.03 -1.54 -1.33 0.00 0.00 175.26 172.40 2dif s SER 9 N 0.91 3.77 -0.02 0.83 1.04 -1.26 -5.12 113.70 113.86 2dif s SER 9 Ca 0.18 -1.20 0.04 0.00 0.48 0.00 0.00 55.95 55.45 2dif s SER 9 Cb -0.14 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 64.85 2dif s SER 9 CO 0.07 -0.26 -0.12 -0.76 0.98 0.00 0.00 173.24 173.15 2dif s LEU 10 N 1.45 2.91 0.14 2.42 1.43 -1.26 -1.38 118.68 124.40 2dif s LEU 10 Ca -0.04 -0.20 -0.33 0.00 -1.03 0.00 0.00 54.13 52.53 2dif s LEU 10 Cb -0.19 -1.65 -0.17 0.00 0.03 0.00 0.00 46.19 44.21 2dif s LEU 10 CO -0.08 0.31 1.00 0.00 0.23 0.00 0.00 176.35 177.81 2dif n PRO 12 N 1.50 0.46 0.00 0.00 -0.04 -1.26 0.59 135.00 136.25 2dif n PRO 12 Ca 0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2dif n PRO 12 Cb 0.21 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.03 0.00 0.03 0.54 7.27 -1.26 -4.80 117.38 118.13 2dif n GLN 13 Ca 0.11 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.30 2dif n GLN 13 Cb 0.06 -0.57 0.07 0.00 2.41 0.00 0.00 30.24 32.22 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2dif n HIS 14 N -2.35 0.30 -4.01 3.69 8.25 -1.23 -4.97 115.22 114.90 2dif n HIS 14 Ca 0.00 0.09 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 2dif n HIS 14 Cb 0.27 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.94 -1.74 -4.37 4.41 8.25 0.20 -4.84 115.22 115.19 2dif n HIS 15 Ca 0.03 0.78 -0.23 0.00 -0.26 0.00 0.00 57.72 58.03 2dif n HIS 15 Cb 0.43 -3.59 -0.11 0.00 1.12 0.00 0.00 29.99 27.83 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 -6.63 1.37 -0.28 -0.41 0.41 -1.26 -4.68 118.70 107.22 2dif s GLU 16 Ca 0.24 -1.47 -0.40 0.00 -0.41 0.00 0.00 54.97 52.93 2dif s GLU 16 Cb -0.13 -1.51 -0.16 0.00 -1.78 0.00 0.00 34.13 30.56 2dif s GLU 16 CO 0.89 0.31 1.75 0.00 -0.49 0.00 0.00 175.26 177.72 2dif n ALA 17 N 0.22 -0.16 -2.86 5.21 0.00 -1.26 -1.31 120.51 120.34 2dif n ALA 17 Ca -0.12 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 2dif n ALA 17 Cb 0.57 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 3.58 4.78 -0.41 0.00 1.43 -0.48 -4.45 118.68 123.14 2dif s LEU 18 Ca 0.98 -1.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.16 2dif s LEU 18 Cb -1.07 -2.43 0.66 0.00 0.03 0.00 0.00 46.19 43.39 2dif s LEU 18 CO 0.66 -1.13 1.84 -1.20 0.23 0.00 0.00 176.35 176.75 2dif n SER 19 N 6.93 3.75 -3.63 2.29 7.64 -1.25 -4.88 113.62 124.47 2dif n SER 19 Ca 0.26 -3.57 -0.15 0.00 1.01 0.00 0.00 58.87 56.42 2dif n SER 19 Cb 0.49 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 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 -3.25 1.19 -0.30 -3.43 1.43 -1.13 -3.67 118.68 109.52 2dif s LEU 20 Ca 0.55 -1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.04 2dif s LEU 20 Cb 0.46 0.94 0.15 0.00 0.03 0.00 0.00 46.19 47.77 2dif s LEU 20 CO 0.10 -1.09 0.86 0.12 0.23 0.00 0.00 176.35 176.58 2dif s PHE 21 N -3.59 -0.90 -0.37 0.29 5.36 -0.53 -3.05 117.98 115.20 2dif s PHE 21 Ca 0.35 1.59 -0.25 0.00 -0.96 0.00 0.00 56.93 57.66 2dif s PHE 21 Cb 0.02 0.54 0.01 0.00 -0.34 0.00 0.00 43.02 43.26 2dif s PHE 21 CO 0.19 -0.45 0.88 0.00 -1.46 0.00 0.00 175.22 174.39 2dif h TYR 23 N 8.48 -0.57 0.12 0.00 0.05 -0.43 0.71 116.97 125.34 2dif h TYR 23 Ca -0.24 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.56 2dif h TYR 23 Cb 1.08 0.22 -0.05 0.00 1.01 0.00 0.00 36.73 39.00 2dif h TYR 23 CO 0.82 -0.32 -0.51 0.93 -1.05 0.00 0.00 178.16 178.04 2dif h GLU 24 N -0.45 -0.71 0.00 4.88 3.07 -1.93 0.45 114.58 119.88 2dif h GLU 24 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2dif h GLU 24 Cb 0.43 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2dif h GLU 24 CO -0.06 -0.47 0.00 -0.44 -1.40 0.00 0.00 179.01 176.63 2dif h ASP 25 N -0.74 0.00 -4.07 1.42 5.19 -1.86 -3.46 116.42 112.90 2dif h ASP 25 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 2dif h ASP 25 Cb 0.75 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 2dif h ASP 25 CO -0.28 0.00 -0.48 0.00 -3.12 0.00 0.00 179.24 175.36 2dif n GLN 26 N -2.37 -2.92 -4.34 3.56 1.13 0.25 -4.95 117.38 107.73 2dif n GLN 26 Ca 0.01 0.75 -0.18 0.00 -1.94 0.00 0.00 57.00 55.64 2dif n GLN 26 Cb 0.19 -5.45 -0.10 0.00 0.11 0.00 0.00 30.24 24.99 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 -5.37 1.48 -0.00 -1.09 -1.05 -0.99 -4.99 118.70 106.69 2dif s GLU 27 Ca 0.14 -1.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.11 2dif s GLU 27 Cb -0.07 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.24 2dif s GLU 27 CO 0.17 -0.30 0.22 0.00 0.95 0.00 0.00 175.26 176.31 2dif s ALA 28 N -3.66 3.90 0.20 -0.84 0.00 -1.26 -0.51 121.76 119.59 2dif s ALA 28 Ca 0.37 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 2dif s ALA 28 Cb 0.08 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2dif s ALA 28 CO 0.14 0.70 0.18 0.14 0.00 0.00 0.00 175.76 176.92 2dif s VAL 29 N -1.31 0.01 0.69 0.00 -7.23 -1.17 -4.91 120.40 106.49 2dif s VAL 29 Ca 0.27 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2dif s VAL 29 Cb -0.13 -2.37 0.13 0.00 0.56 0.00 0.00 36.38 34.57 2dif s VAL 29 CO 0.17 -0.07 0.95 0.00 -0.31 0.00 0.00 175.10 175.85 2dif h LEU 31 N -0.36 0.61 0.01 0.00 -0.00 -1.94 -2.70 115.31 110.93 2dif h LEU 31 Ca -0.32 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2dif h LEU 31 Cb 1.27 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2dif h LEU 31 CO 0.38 0.44 -0.00 0.40 -0.00 0.00 0.00 178.44 179.66 2dif h ILE 32 N 0.72 0.00 -0.78 0.15 2.04 -1.96 -3.32 117.51 114.36 2dif h ILE 32 Ca 0.20 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2dif h ILE 32 Cb -0.07 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.88 2dif h ILE 32 CO -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.78 2dif n ALA 34 N -3.56 0.44 -0.34 0.00 0.00 -1.02 -0.35 120.51 115.68 2dif n ALA 34 Ca 0.07 0.78 -0.09 0.00 0.00 0.00 0.00 53.44 54.20 2dif n ALA 34 Cb 0.30 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.07 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 -4.95 -0.54 -0.12 0.00 2.08 0.25 0.21 119.36 116.29 2dif n ILE 35 Ca 0.19 2.02 -0.04 0.00 0.56 0.00 0.00 62.75 65.47 2dif n ILE 35 Cb 0.63 -2.50 0.03 0.00 -0.75 0.00 0.00 39.64 37.05 2dif n ILE 35 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2dif h SER 36 N 0.00 -0.10 0.08 4.38 4.64 -0.86 -1.91 113.55 119.79 2dif h SER 36 Ca 0.13 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2dif h SER 36 Cb 0.33 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2dif h SER 36 CO -0.75 -0.01 -0.07 0.45 -0.87 0.00 0.00 176.83 175.58 2dif h HIS 37 N 0.15 -0.18 -1.66 4.77 3.86 -0.22 -1.75 115.15 120.11 2dif h HIS 37 Ca 0.20 0.00 0.51 0.00 -1.16 0.00 0.00 60.37 59.91 2dif h HIS 37 Cb 0.27 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 28.71 2dif h HIS 37 CO -0.24 -0.09 1.16 1.79 0.86 0.00 0.00 177.93 181.40 2dif h THR 38 N -0.14 0.07 -0.30 2.45 1.35 -0.48 1.21 112.91 117.08 2dif h THR 38 Ca -0.01 -0.01 -0.11 0.00 -0.55 0.00 0.00 66.41 65.73 2dif h THR 38 Cb 0.12 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.58 2dif h THR 38 CO 0.00 0.00 -0.26 -0.74 -0.25 0.00 0.00 175.52 174.28 2dif h HIS 39 N 0.02 0.83 -0.06 4.73 2.76 -0.73 -2.75 115.15 119.94 2dif h HIS 39 Ca 0.87 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.80 2dif h HIS 39 Cb 3.22 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 32.00 2dif h HIS 39 CO -0.00 0.98 0.00 0.54 -1.30 0.00 0.00 177.93 178.14 2dif n ARG 40 N -4.28 1.24 -2.89 5.26 1.74 0.41 -4.84 116.66 113.30 2dif n ARG 40 Ca -0.04 -0.27 -0.18 0.00 -0.77 0.00 0.00 57.85 56.59 2dif n ARG 40 Cb 0.45 -1.25 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.16 -0.80 -2.13 7.54 0.00 -0.85 -4.99 120.51 119.13 2dif n ALA 41 Ca 0.02 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 2dif n ALA 41 Cb 0.16 -3.32 -0.06 0.00 0.00 0.00 0.00 19.45 16.24 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 -3.07 3.73 -0.26 0.00 3.76 -0.92 -4.99 115.29 113.54 2dif s HIS 42 Ca 0.25 1.39 -0.28 0.00 -0.15 0.00 0.00 55.06 56.27 2dif s HIS 42 Cb -0.11 -2.60 0.01 0.00 1.11 0.00 0.00 32.58 30.99 2dif s HIS 42 CO 0.32 0.43 1.02 0.99 -0.85 0.00 0.00 174.74 176.65 2dif s THR 43 N -1.36 4.64 -0.04 1.30 2.01 -1.26 -4.32 115.64 116.61 2dif s THR 43 Ca 0.38 1.87 -0.02 0.00 0.31 0.00 0.00 61.69 64.23 2dif s THR 43 Cb -0.18 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.03 2dif s THR 43 CO 0.22 -0.27 0.05 -0.69 -0.69 0.00 0.00 174.62 173.24 2dif s VAL 44 N 3.30 -0.09 0.09 3.82 1.01 -1.26 0.31 120.40 127.58 2dif s VAL 44 Ca 0.43 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.90 2dif s VAL 44 Cb -0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2dif s VAL 44 CO 0.09 0.17 -0.26 0.68 0.00 0.00 0.00 175.10 175.78 2dif s VAL 45 N 1.96 2.27 -0.14 2.92 -7.23 -0.29 -4.86 120.40 115.03 2dif s VAL 45 Ca 0.02 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2dif s VAL 45 Cb -0.12 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2dif s VAL 45 CO -0.03 0.22 1.55 -2.16 -0.31 0.00 0.00 175.10 174.37 2dif s PRO 46 N -1.70 4.05 -0.34 4.82 0.04 -1.26 -1.45 135.00 139.16 2dif s PRO 46 Ca 0.13 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 2dif s PRO 46 Cb -0.10 -3.96 -0.00 0.00 0.04 0.00 0.00 34.50 30.48 2dif s PRO 46 CO 0.05 -0.98 0.57 -0.51 0.04 0.00 0.00 177.00 176.17 2dif s LEU 47 N 4.35 4.26 -0.70 -3.56 1.02 -1.24 -4.22 118.68 118.58 2dif s LEU 47 Ca 0.69 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.99 2dif s LEU 47 Cb -0.28 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.24 2dif s LEU 47 CO 0.26 -0.50 0.00 -1.20 0.02 0.00 0.00 176.35 174.93 2dif n SER 48 N 5.86 -2.40 -0.83 2.29 7.64 -1.26 -4.69 113.62 120.22 2dif n SER 48 Ca -0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2dif n SER 48 Cb 0.49 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.44 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 49 N -0.45 2.38 3.72 0.23 0.00 -1.26 -5.06 105.19 104.74 2dif n GLY 49 Ca -0.08 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 0.81 4.34 0.13 1.61 0.04 -1.26 -4.97 135.00 135.71 2dif s PRO 50 Ca 0.00 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2dif s PRO 50 Cb 0.00 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 2dif s PRO 50 CO 0.00 -0.39 1.54 0.45 0.04 0.00 0.00 177.00 178.65 2dif s SER 51 N 0.97 6.64 0.17 6.66 0.15 -1.26 -4.96 113.70 122.07 2dif s SER 51 Ca 0.63 2.53 0.08 0.00 0.70 0.00 0.00 55.95 59.88 2dif s SER 51 Cb -0.36 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.32 2dif s SER 51 CO 0.31 -0.80 -0.17 -0.55 1.20 0.00 0.00 173.24 173.23 2dif s SER 52 N 1.38 2.57 0.00 5.45 0.15 -1.26 -5.23 113.70 116.76 2dif s SER 52 Ca 0.70 -0.89 0.25 0.00 0.70 0.00 0.00 55.95 56.71 2dif s SER 52 Cb -0.41 -0.14 0.45 0.00 -1.71 0.00 0.00 66.02 64.20 2dif s SER 52 CO 0.31 -0.08 1.41 0.61 1.20 0.00 0.00 173.24 176.69