#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi n SER 2 N 0.00 -4.15 -0.07 1.61 2.88 -1.26 -4.90 113.62 107.73 2emi n SER 2 Ca 0.00 -0.78 -0.07 0.00 -1.33 0.00 0.00 58.87 56.69 2emi n SER 2 Cb 0.00 -3.97 -0.02 0.00 -0.75 0.00 0.00 64.21 59.47 2emi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2emi n SER 3 N -2.89 1.61 -0.60 -3.46 7.64 -1.26 -5.06 113.62 109.60 2emi n SER 3 Ca -0.03 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2emi n SER 3 Cb 0.56 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2emi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emi n GLY 4 N 1.58 0.74 0.13 0.23 0.00 -1.26 -5.01 105.19 101.60 2emi n GLY 4 Ca -0.11 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2emi n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2emi h SER 5 N 0.00 0.53 -3.48 1.61 4.64 -2.01 -3.42 113.55 111.42 2emi h SER 5 Ca 0.00 -0.91 -0.76 0.00 -0.47 0.00 0.00 61.79 59.65 2emi h SER 5 Cb 0.83 -0.17 -0.26 0.00 -0.31 0.00 0.00 62.40 62.49 2emi h SER 5 CO 0.00 1.60 -0.12 -0.55 -0.87 0.00 0.00 176.83 176.90 2emi s SER 6 N -7.16 6.32 0.09 4.97 0.15 -1.26 -4.66 113.70 112.15 2emi s SER 6 Ca -0.15 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.26 2emi s SER 6 Cb 0.03 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2emi s SER 6 CO 0.83 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2emi n GLY 7 N 4.58 -0.70 2.19 9.45 0.00 -1.26 -4.93 105.19 114.51 2emi n GLY 7 Ca -0.01 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2emi n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2emi n THR 8 N -2.70 3.24 0.00 2.61 5.66 -1.26 -4.97 114.28 116.85 2emi n THR 8 Ca 0.00 -2.46 0.00 0.00 -3.05 0.00 0.00 64.05 58.54 2emi n THR 8 Cb 0.00 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 2emi n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2emi n GLY 9 N -0.20 0.32 2.55 1.09 0.00 -1.26 -5.04 105.19 102.64 2emi n GLY 9 Ca 0.47 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2emi n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2emi n GLU 10 N 0.00 -4.02 -1.49 1.61 0.00 -1.26 -4.84 120.64 110.63 2emi n GLU 10 Ca 0.00 0.42 -0.34 0.00 0.00 0.00 0.00 57.16 57.24 2emi n GLU 10 Cb 0.00 -4.22 0.07 0.00 0.00 0.00 0.00 31.44 27.29 2emi n GLU 10 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2emi n ARG 11 N -2.78 2.82 -4.88 5.31 1.85 -1.26 -4.96 116.66 112.76 2emi n ARG 11 Ca -0.00 -3.44 -0.30 0.00 -1.00 0.00 0.00 57.85 53.11 2emi n ARG 11 Cb 0.53 -2.29 -0.15 0.00 -1.05 0.00 0.00 32.46 29.51 2emi n ARG 11 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2emi s HIS 12 N -3.82 2.34 -0.58 2.89 2.46 -1.26 -5.06 115.29 112.25 2emi s HIS 12 Ca 0.62 -0.40 -0.24 0.00 0.47 0.00 0.00 55.06 55.51 2emi s HIS 12 Cb 0.49 -1.40 0.05 0.00 -0.13 0.00 0.00 32.58 31.59 2emi s HIS 12 CO -0.05 0.14 0.95 0.71 -2.47 0.00 0.00 174.74 174.02 2emi s TYR 13 N -0.82 2.75 0.21 3.88 2.02 -0.75 -4.92 117.35 119.72 2emi s TYR 13 Ca 0.12 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 2emi s TYR 13 Cb -0.10 -4.13 -0.04 0.00 -0.40 0.00 0.00 41.96 37.30 2emi s TYR 13 CO 0.02 -1.44 0.16 -1.21 -1.57 0.00 0.00 175.55 171.51 2emi s GLU 14 N 3.99 2.89 -0.35 -0.62 8.01 -1.26 0.22 118.70 131.58 2emi s GLU 14 Ca 0.28 -0.97 -0.16 0.00 0.01 0.00 0.00 54.97 54.13 2emi s GLU 14 Cb -0.14 -2.59 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 2emi s GLU 14 CO 0.16 0.44 0.39 0.00 0.01 0.00 0.00 175.26 176.27 2emi n SER 16 N 5.45 5.38 0.01 0.00 7.64 -1.26 -2.77 113.62 128.07 2emi n SER 16 Ca -0.08 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.24 2emi n SER 16 Cb 0.49 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2emi n GLU 17 N 1.05 0.00 -0.05 1.43 -0.58 -1.26 -4.98 120.64 116.25 2emi n GLU 17 Ca 0.09 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.72 2emi n GLU 17 Cb 0.54 -0.27 -0.04 0.00 -0.57 0.00 0.00 31.44 31.10 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emi n GLY 19 N 2.42 0.42 3.15 0.00 0.00 -1.12 -5.09 105.19 104.97 2emi n GLY 19 Ca -0.20 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 2emi n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emi s LYS 20 N 0.00 2.13 -0.14 1.61 2.20 -1.26 -4.94 119.74 119.35 2emi s LYS 20 Ca 0.00 -0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 2emi s LYS 20 Cb 0.00 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 2emi s LYS 20 CO 0.00 0.21 0.15 0.00 -0.36 0.00 0.00 175.35 175.36 2emi s ALA 21 N 0.18 3.82 0.06 3.13 0.00 -1.26 -0.54 121.76 127.15 2emi s ALA 21 Ca -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2emi s ALA 21 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 2emi s ALA 21 CO 0.04 0.48 -0.14 -0.06 0.00 0.00 0.00 175.76 176.09 2emi s PHE 22 N -0.64 1.18 0.01 0.00 0.08 0.13 -4.98 117.98 113.76 2emi s PHE 22 Ca 0.14 -0.43 -0.18 0.00 0.12 0.00 0.00 56.93 56.57 2emi s PHE 22 Cb -0.12 -0.67 -0.33 0.00 -0.57 0.00 0.00 43.02 41.33 2emi s PHE 22 CO 0.03 0.04 0.98 0.97 -0.10 0.00 0.00 175.22 177.14 2emi h ILE 23 N 4.36 1.37 -2.81 0.64 2.10 -1.98 -2.00 117.51 119.19 2emi h ILE 23 Ca -0.40 -2.59 -0.64 0.00 1.08 0.00 0.00 64.86 62.31 2emi h ILE 23 Cb 1.19 3.04 -0.05 0.00 -1.09 0.00 0.00 36.82 39.91 2emi h ILE 23 CO 0.41 0.76 -0.45 -1.10 -1.08 0.00 0.00 178.15 176.69 2emi s GLN 24 N -2.61 3.49 0.08 2.19 -0.21 -1.26 -4.66 119.66 116.68 2emi s GLN 24 Ca -0.11 -0.20 -0.21 0.00 0.02 0.00 0.00 55.36 54.86 2emi s GLN 24 Cb 0.03 -3.11 -0.12 0.00 1.00 0.00 0.00 33.01 30.82 2emi s GLN 24 CO 0.90 0.68 1.61 -0.22 -2.12 0.00 0.00 175.29 176.15 2emi h LYS 25 N 4.09 0.20 -0.31 2.91 3.11 -1.95 -3.09 116.57 121.52 2emi h LYS 25 Ca -0.50 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 57.37 2emi h LYS 25 Cb 1.20 -0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 32.33 2emi h LYS 25 CO 0.66 0.30 -0.12 1.03 -2.81 0.00 0.00 179.45 178.51 2emi h SER 26 N 0.05 -0.41 -1.38 4.20 0.87 -1.99 0.04 113.55 114.93 2emi h SER 26 Ca 0.04 0.11 0.40 0.00 -1.23 0.00 0.00 61.79 61.11 2emi h SER 26 Cb 0.18 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 2emi h SER 26 CO -0.00 -0.15 0.96 0.74 -0.53 0.00 0.00 176.83 177.85 2emi h THR 27 N -0.06 0.28 0.01 2.23 2.02 -1.96 0.24 112.91 115.67 2emi h THR 27 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 2emi h THR 27 Cb 0.30 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2emi h THR 27 CO -0.35 0.01 -0.00 0.25 0.37 0.00 0.00 175.52 175.79 2emi h LEU 28 N 0.07 -0.01 -1.02 2.58 5.85 -1.03 -3.08 115.31 118.66 2emi h LEU 28 Ca 0.70 -0.33 0.26 0.00 0.84 0.00 0.00 57.88 59.34 2emi h LEU 28 Cb 2.57 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 43.48 2emi h LEU 28 CO -0.12 0.65 0.60 0.28 -0.34 0.00 0.00 178.44 179.52 2emi h SER 29 N -1.00 0.64 0.86 1.25 0.02 -0.51 1.14 113.55 115.95 2emi h SER 29 Ca -0.00 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2emi h SER 29 Cb 0.34 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2emi h SER 29 CO 0.00 0.07 -0.22 0.00 -1.14 0.00 0.00 176.83 175.54 2emi h MET 30 N 0.54 0.00 0.00 3.45 -0.00 -1.14 -3.24 114.93 114.54 2emi h MET 30 Ca 0.66 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 60.27 2emi h MET 30 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.89 2emi h MET 30 CO -0.48 0.22 -0.49 1.25 -0.00 0.00 0.00 176.91 177.42 2emi h HIS 31 N 0.00 0.00 -1.21 -0.10 -0.00 0.12 -3.32 115.15 110.64 2emi h HIS 31 Ca -0.00 0.00 0.35 0.00 -0.00 0.00 0.00 60.37 60.72 2emi h HIS 31 Cb 0.71 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 2emi h HIS 31 CO 0.00 1.15 1.22 1.04 -0.00 0.00 0.00 177.93 181.34 2emi n GLN 32 N -4.55 0.01 -0.24 5.26 6.02 0.80 0.31 117.38 124.99 2emi n GLN 32 Ca -0.18 0.99 0.04 0.00 -0.01 0.00 0.00 57.00 57.84 2emi n GLN 32 Cb 0.54 -2.43 0.16 0.00 1.02 0.00 0.00 30.24 29.54 2emi n GLN 32 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2emi h ARG 33 N 0.00 0.26 -0.33 -1.09 0.11 -1.67 0.35 114.38 112.01 2emi h ARG 33 Ca 0.58 -0.02 0.10 0.00 0.10 0.00 0.00 59.98 60.74 2emi h ARG 33 Cb 3.01 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 34.02 2emi h ARG 33 CO -0.01 0.17 0.70 -0.84 0.10 0.00 0.00 179.97 180.10 2emi h ILE 34 N 0.27 0.10 0.05 0.08 3.07 -0.41 0.45 117.51 121.12 2emi h ILE 34 Ca 0.39 0.00 -0.36 0.00 1.55 0.00 0.00 64.86 66.44 2emi h ILE 34 Cb 0.65 0.37 -0.05 0.00 -0.27 0.00 0.00 36.82 37.52 2emi h ILE 34 CO -0.49 0.00 -2.15 1.41 -1.05 0.00 0.00 178.15 175.87 2emi n HIS 35 N -3.10 0.67 -1.56 0.16 8.25 0.12 -4.80 115.22 114.97 2emi n HIS 35 Ca 0.06 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.50 2emi n HIS 35 Cb 0.83 -1.10 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 2emi n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2emi n ARG 36 N -3.25 0.67 -2.84 -0.41 1.74 0.16 -4.69 116.66 108.03 2emi n ARG 36 Ca -0.34 -0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 56.01 2emi n ARG 36 Cb 1.04 -3.57 0.04 0.00 -1.02 0.00 0.00 32.46 28.95 2emi n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2emi n GLY 37 N 6.58 1.98 3.41 -0.13 0.00 -1.26 -4.97 105.19 110.80 2emi n GLY 37 Ca 0.45 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2emi n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2emi s GLU 38 N -1.78 3.30 0.42 1.61 -1.05 -1.26 -5.09 118.70 114.86 2emi s GLU 38 Ca 0.29 -0.66 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 2emi s GLU 38 Cb 0.39 -2.64 -0.13 0.00 -0.44 0.00 0.00 34.13 31.31 2emi s GLU 38 CO -0.03 0.28 -0.06 0.36 0.95 0.00 0.00 175.26 176.76 2emi n LYS 39 N 3.34 0.00 -2.04 -4.83 -0.00 -1.26 -4.72 118.16 108.65 2emi n LYS 39 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.74 2emi n LYS 39 Cb 0.53 -0.88 -0.03 0.00 -0.00 0.00 0.00 35.03 34.64 2emi n LYS 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2emi s PRO 40 N -0.88 2.70 -0.15 -1.58 0.04 -1.26 -4.90 135.00 128.97 2emi s PRO 40 Ca 0.51 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 61.91 2emi s PRO 40 Cb -0.47 -4.37 -0.15 0.00 0.04 0.00 0.00 34.50 29.55 2emi s PRO 40 CO 0.58 -2.64 0.97 0.45 0.04 0.00 0.00 177.00 176.39 2emi n SER 41 N 12.48 0.36 -2.29 6.66 2.88 -1.26 -4.92 113.62 127.53 2emi n SER 41 Ca 0.20 0.88 -0.04 0.00 -1.33 0.00 0.00 58.87 58.59 2emi n SER 41 Cb 0.52 -0.68 0.03 0.00 -0.75 0.00 0.00 64.21 63.32 2emi n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2emi n GLY 42 N 1.88 -1.04 3.61 0.46 0.00 -1.26 -4.96 105.19 103.88 2emi n GLY 42 Ca 0.18 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 2emi n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emi s PRO 43 N -3.38 3.49 -0.01 1.61 0.04 -1.26 -4.84 135.00 130.65 2emi s PRO 43 Ca 0.11 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2emi s PRO 43 Cb -0.00 -4.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.40 2emi s PRO 43 CO 0.08 -1.66 -0.08 0.45 0.04 0.00 0.00 177.00 175.82 2emi n SER 44 N 9.55 0.85 -4.64 6.66 2.88 -1.26 -4.97 113.62 122.69 2emi n SER 44 Ca 0.21 0.13 -0.43 0.00 -1.33 0.00 0.00 58.87 57.45 2emi n SER 44 Cb 0.47 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 2emi n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2emi s SER 45 N -5.40 6.62 0.00 -3.46 0.15 -1.26 -5.34 113.70 105.00 2emi s SER 45 Ca -0.07 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2emi s SER 45 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2emi s SER 45 CO 0.10 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.09