#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s ILE 4 N 0.00 5.28 -0.23 -0.18 1.01 0.17 -4.37 121.20 122.88 1fjg s ILE 4 Ca 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 1fjg s ILE 4 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1fjg s ILE 4 CO 0.00 0.47 0.02 -0.60 0.00 0.00 0.00 174.94 174.83 1fjg s ARG 5 N -0.10 3.56 -0.15 2.79 3.52 -0.57 0.15 118.95 128.15 1fjg s ARG 5 Ca 0.18 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.19 1fjg s ARG 5 Cb -0.14 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1fjg s ARG 5 CO 0.06 -0.16 0.05 0.42 -0.81 0.00 0.00 175.30 174.86 1fjg s ILE 6 N 1.48 4.72 -0.33 4.11 1.01 -1.21 -1.29 121.20 129.68 1fjg s ILE 6 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1fjg s ILE 6 Cb -0.15 -3.08 0.10 0.00 0.01 0.00 0.00 42.46 39.34 1fjg s ILE 6 CO 0.01 0.52 0.06 -0.75 0.00 0.00 0.00 174.94 174.78 1fjg s LYS 7 N -0.10 1.24 -0.07 2.79 2.20 0.61 -4.10 119.74 122.32 1fjg s LYS 7 Ca 0.06 -1.63 -0.17 0.00 -0.36 0.00 0.00 55.97 53.88 1fjg s LYS 7 Cb -0.12 -2.83 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1fjg s LYS 7 CO 0.01 -0.95 0.45 -0.51 -0.36 0.00 0.00 175.35 173.99 1fjg s LEU 8 N 1.12 4.36 0.11 5.43 1.43 -1.23 -2.35 118.68 127.56 1fjg s LEU 8 Ca 0.11 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1fjg s LEU 8 Cb -0.18 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1fjg s LEU 8 CO -0.13 0.14 -0.10 0.00 0.23 0.00 0.00 176.35 176.49 1fjg s ARG 9 N -0.11 0.89 -0.27 1.70 1.70 -0.87 -1.07 118.95 120.93 1fjg s ARG 9 Ca 0.25 -1.25 -0.38 0.00 -0.47 0.00 0.00 55.73 53.88 1fjg s ARG 9 Cb -0.16 -0.51 0.15 0.00 -0.57 0.00 0.00 34.95 33.87 1fjg s ARG 9 CO 0.12 0.07 1.35 0.20 -1.08 0.00 0.00 175.30 175.95 1fjg s GLY 10 N -2.69 -0.22 0.10 3.88 0.00 -0.94 -1.66 107.32 105.79 1fjg s GLY 10 Ca 0.09 1.85 -0.06 0.00 0.00 0.00 0.00 44.72 46.59 1fjg s GLY 10 CO -0.01 0.61 1.21 0.74 0.00 0.00 0.00 173.10 175.66 1fjg h PHE 11 N 2.00 0.65 -3.37 1.90 0.05 -1.76 0.27 116.94 116.68 1fjg h PHE 11 Ca -0.03 -0.40 -0.58 0.00 3.82 0.00 0.00 57.97 60.77 1fjg h PHE 11 Cb 1.13 -0.05 -0.08 0.00 2.00 0.00 0.00 35.95 38.95 1fjg h PHE 11 CO 0.30 1.26 -0.07 0.34 -0.18 0.00 0.00 178.31 179.95 1fjg s ASP 12 N -7.18 6.68 0.21 2.17 -1.08 -1.26 -4.75 116.67 111.46 1fjg s ASP 12 Ca -0.06 0.82 0.05 0.00 -0.52 0.00 0.00 52.55 52.84 1fjg s ASP 12 Cb 0.08 -2.30 0.14 0.00 -1.46 0.00 0.00 42.92 39.37 1fjg s ASP 12 CO 0.89 -0.07 1.48 1.12 0.52 0.00 0.00 175.17 179.10 1fjg h HIS 13 N 6.96 0.24 0.00 -5.34 2.07 -1.95 -3.14 115.15 113.99 1fjg h HIS 13 Ca -0.39 -0.11 -0.11 0.00 -2.85 0.00 0.00 60.37 56.91 1fjg h HIS 13 Cb 1.17 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 31.10 1fjg h HIS 13 CO 0.65 0.85 -0.51 0.87 -3.07 0.00 0.00 177.93 176.71 1fjg h LYS 14 N 0.12 0.00 0.00 5.12 1.57 -1.98 -0.86 116.57 120.54 1fjg h LYS 14 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1fjg h LYS 14 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1fjg h LYS 14 CO 0.11 0.51 -0.32 0.00 -0.57 0.00 0.00 179.45 179.18 1fjg h THR 15 N 0.00 1.16 0.00 -0.16 1.03 -1.94 0.23 112.91 113.22 1fjg h THR 15 Ca -0.01 -1.14 -0.03 0.00 -0.01 0.00 0.00 66.41 65.23 1fjg h THR 15 Cb 1.31 1.63 -0.00 0.00 -1.07 0.00 0.00 68.15 70.01 1fjg h THR 15 CO 0.07 0.32 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.55 1fjg h LEU 16 N 0.00 0.00 -0.99 0.00 3.38 -1.49 -2.38 115.31 113.83 1fjg h LEU 16 Ca -0.00 -0.25 0.35 0.00 0.09 0.00 0.00 57.88 58.07 1fjg h LEU 16 Cb 0.60 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 1fjg h LEU 16 CO 0.04 0.77 0.38 0.44 0.09 0.00 0.00 178.44 180.17 1fjg h ASP 17 N -1.00 0.11 0.10 -0.43 3.32 -1.08 0.38 116.42 117.83 1fjg h ASP 17 Ca -0.04 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1fjg h ASP 17 Cb 0.47 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1fjg h ASP 17 CO -0.02 -0.35 -0.05 0.00 -1.72 0.00 0.00 179.24 177.10 1fjg h ALA 18 N 1.95 -0.84 -1.88 3.45 0.00 -0.64 -2.54 119.26 118.76 1fjg h ALA 18 Ca 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1fjg h ALA 18 Cb 1.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1fjg h ALA 18 CO -0.78 -0.83 0.00 0.45 0.00 0.00 0.00 179.25 178.10 1fjg n SER 19 N -2.45 0.00 -0.23 0.00 2.88 0.14 -1.82 113.62 112.14 1fjg n SER 19 Ca -0.02 0.69 0.16 0.00 -1.33 0.00 0.00 58.87 58.37 1fjg n SER 19 Cb 0.06 -0.19 0.30 0.00 -0.75 0.00 0.00 64.21 63.63 1fjg n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fjg n ALA 20 N -1.55 0.53 -0.24 -1.46 0.00 0.11 0.19 120.51 118.09 1fjg n ALA 20 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 1fjg n ALA 20 Cb 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 19.45 18.90 1fjg n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1fjg h GLN 21 N 0.00 0.79 0.74 0.00 4.15 -0.91 -2.38 115.11 117.51 1fjg h GLN 21 Ca 0.50 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.84 1fjg h GLN 21 Cb 1.20 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.72 1fjg h GLN 21 CO -0.58 0.52 -0.36 0.87 -1.93 0.00 0.00 178.83 177.35 1fjg h LYS 22 N 0.81 -0.96 -1.05 1.69 1.57 0.24 -0.94 116.57 117.93 1fjg h LYS 22 Ca 0.27 0.07 0.30 0.00 -1.87 0.00 0.00 60.65 59.42 1fjg h LYS 22 Cb 0.03 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1fjg h LYS 22 CO -0.11 -0.64 1.11 0.82 -0.57 0.00 0.00 179.45 180.06 1fjg h ILE 23 N -1.02 0.07 0.00 1.86 5.03 -1.31 0.19 117.51 122.34 1fjg h ILE 23 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1fjg h ILE 23 Cb 0.76 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1fjg h ILE 23 CO 0.17 0.00 -0.25 0.58 -0.68 0.00 0.00 178.15 177.97 1fjg h VAL 24 N 0.00 0.00 -1.01 1.67 2.07 -0.99 -3.20 116.25 114.79 1fjg h VAL 24 Ca 0.50 -0.89 0.25 0.00 0.82 0.00 0.00 66.70 67.38 1fjg h VAL 24 Cb 2.71 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 1fjg h VAL 24 CO -0.01 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 177.92 1fjg h GLU 25 N -0.89 0.36 0.00 1.57 5.08 0.33 0.32 114.58 121.35 1fjg h GLU 25 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fjg h GLU 25 Cb 0.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1fjg h GLU 25 CO 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1fjg n ALA 26 N -2.50 -0.24 0.00 3.43 0.00 0.49 -3.10 120.51 118.59 1fjg n ALA 26 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1fjg n ALA 26 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1fjg n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjg n ALA 27 N -1.47 1.25 1.65 0.00 0.00 -1.07 -1.89 120.51 118.98 1fjg n ALA 27 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1fjg n ALA 27 Cb 0.00 -0.99 0.61 0.00 0.00 0.00 0.00 19.45 19.06 1fjg n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjg n ARG 28 N -1.23 0.83 0.01 0.00 1.74 0.11 -3.33 116.66 114.78 1fjg n ARG 28 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1fjg n ARG 28 Cb 0.00 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1fjg n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1fjg n ARG 29 N -0.89 0.02 0.00 5.56 1.74 -0.79 -4.75 116.66 117.55 1fjg n ARG 29 Ca 0.15 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1fjg n ARG 29 Cb 0.07 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 1fjg n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1fjg n SER 30 N -2.82 0.00 0.00 0.55 3.41 -1.26 -4.78 113.62 108.72 1fjg n SER 30 Ca -0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1fjg n SER 30 Cb 0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1fjg n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjg n GLY 31 N -1.20 3.00 3.41 5.00 0.00 -1.21 -4.00 105.19 110.19 1fjg n GLY 31 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1fjg n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg s ALA 32 N -1.00 -0.63 -0.70 4.61 0.00 -1.25 -4.83 121.76 117.96 1fjg s ALA 32 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 51.96 51.64 1fjg s ALA 32 Cb 0.00 -3.11 0.61 0.00 0.00 0.00 0.00 23.12 20.62 1fjg s ALA 32 CO 0.00 -4.18 1.45 1.04 0.00 0.00 0.00 175.76 174.07 1fjg n GLN 33 N -5.23 3.70 -1.27 0.00 6.02 -1.26 -4.17 117.38 115.17 1fjg n GLN 33 Ca 0.07 -2.35 0.08 0.00 -0.01 0.00 0.00 57.00 54.79 1fjg n GLN 33 Cb 0.57 -1.98 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 1fjg n GLN 33 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1fjg n VAL 34 N 0.60 -1.53 1.40 5.09 0.31 -1.26 -4.37 118.33 118.57 1fjg n VAL 34 Ca 0.21 1.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.54 1fjg n VAL 34 Cb 0.89 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1fjg n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1fjg n SER 35 N -3.32 0.34 -0.61 4.52 7.64 0.24 -4.96 113.62 117.47 1fjg n SER 35 Ca -0.05 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1fjg n SER 35 Cb 0.51 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1fjg n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjg n GLY 36 N 0.25 -3.64 3.68 0.23 0.00 -1.17 -4.80 105.19 99.73 1fjg n GLY 36 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1fjg n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjg s PRO 37 N -5.03 4.23 -0.11 1.61 0.04 -1.26 -3.54 135.00 130.93 1fjg s PRO 37 Ca 0.00 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1fjg s PRO 37 Cb 0.00 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1fjg s PRO 37 CO 0.00 -0.70 -0.01 0.42 0.04 0.00 0.00 177.00 176.75 1fjg s ILE 38 N 3.11 4.19 0.00 0.56 1.01 -1.26 -4.77 121.20 124.04 1fjg s ILE 38 Ca 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1fjg s ILE 38 Cb -0.31 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1fjg s ILE 38 CO 0.26 0.56 0.88 -0.81 0.00 0.00 0.00 174.94 175.83 1fjg n PRO 39 N 2.68 0.00 0.00 2.79 -0.04 -1.26 -0.97 135.00 138.20 1fjg n PRO 39 Ca -0.18 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1fjg n PRO 39 Cb 0.53 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1fjg n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fjg n LEU 40 N -1.81 -1.29 -4.37 1.53 4.77 -1.26 -2.91 117.00 111.65 1fjg n LEU 40 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1fjg n LEU 40 Cb 0.00 0.91 0.11 0.00 -2.33 0.00 0.00 43.42 42.10 1fjg n LEU 40 CO 0.00 0.00 -0.21 -0.81 -1.33 0.00 0.00 177.39 175.04 1fjg n PRO 41 N -0.48 -0.20 -4.25 3.23 -0.04 -1.26 -4.45 135.00 127.54 1fjg n PRO 41 Ca 0.00 -0.02 -0.34 0.00 -0.04 0.00 0.00 63.50 63.10 1fjg n PRO 41 Cb 0.00 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 31.58 1fjg n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1fjg s THR 42 N -2.31 3.85 0.22 0.52 2.01 -1.26 -4.48 115.64 114.20 1fjg s THR 42 Ca 0.56 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 1fjg s THR 42 Cb -0.22 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 1fjg s THR 42 CO 0.68 0.46 0.83 -0.13 -0.69 0.00 0.00 174.62 175.77 1fjg s ARG 43 N 0.70 4.56 -0.05 4.92 0.52 -1.08 -4.93 118.95 123.58 1fjg s ARG 43 Ca -0.01 1.20 0.03 0.00 -0.52 0.00 0.00 55.73 56.42 1fjg s ARG 43 Cb -0.14 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1fjg s ARG 43 CO 0.02 0.47 -0.12 0.08 0.02 0.00 0.00 175.30 175.77 1fjg s VAL 44 N -1.31 1.08 -0.11 3.52 1.01 -1.26 -1.95 120.40 121.38 1fjg s VAL 44 Ca 0.41 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1fjg s VAL 44 Cb -0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1fjg s VAL 44 CO 0.26 0.33 0.19 -0.13 0.00 0.00 0.00 175.10 175.75 1fjg s ARG 45 N 0.38 3.65 0.07 2.72 1.81 -1.15 -4.95 118.95 121.48 1fjg s ARG 45 Ca -0.09 -0.05 0.08 0.00 -1.72 0.00 0.00 55.73 53.96 1fjg s ARG 45 Cb -0.13 -3.24 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 1fjg s ARG 45 CO 0.02 0.67 -0.19 1.03 -0.68 0.00 0.00 175.30 176.15 1fjg s ARG 46 N -0.77 1.92 -0.16 3.54 1.81 -1.26 -1.32 118.95 122.71 1fjg s ARG 46 Ca 0.15 -1.07 -0.04 0.00 -1.72 0.00 0.00 55.73 53.05 1fjg s ARG 46 Cb -0.13 -2.13 0.06 0.00 -0.45 0.00 0.00 34.95 32.31 1fjg s ARG 46 CO 0.05 0.51 0.12 -0.06 -0.68 0.00 0.00 175.30 175.24 1fjg s PHE 47 N -0.99 0.05 -0.39 -0.53 0.40 0.49 -4.94 117.98 112.07 1fjg s PHE 47 Ca 0.15 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1fjg s PHE 47 Cb -0.10 -0.57 0.10 0.00 0.51 0.00 0.00 43.02 42.96 1fjg s PHE 47 CO 0.06 -0.48 0.18 0.99 0.70 0.00 0.00 175.22 176.68 1fjg s THR 48 N 2.19 3.38 -0.16 0.64 2.01 -1.26 -0.32 115.64 122.12 1fjg s THR 48 Ca 0.03 -1.86 -0.02 0.00 0.31 0.00 0.00 61.69 60.16 1fjg s THR 48 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1fjg s THR 48 CO -0.09 -0.58 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.48 1fjg s VAL 49 N 1.20 3.20 -0.09 3.82 1.01 -0.91 -5.02 120.40 123.62 1fjg s VAL 49 Ca 0.05 -0.59 -0.39 0.00 0.00 0.00 0.00 61.98 61.05 1fjg s VAL 49 Cb -0.22 -2.38 -0.17 0.00 0.00 0.00 0.00 36.38 33.60 1fjg s VAL 49 CO -0.03 0.49 1.45 -0.38 0.00 0.00 0.00 175.10 176.63 1fjg n ILE 50 N 3.91 0.09 -0.13 2.22 5.41 -1.24 -3.71 119.36 125.91 1fjg n ILE 50 Ca -0.18 -0.02 -0.04 0.00 1.00 0.00 0.00 62.75 63.51 1fjg n ILE 50 Cb 0.52 -0.80 0.03 0.00 -0.71 0.00 0.00 39.64 38.68 1fjg n ILE 50 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1fjg h ARG 51 N 5.18 0.06 -6.15 0.38 3.08 -1.81 -3.43 114.38 111.70 1fjg h ARG 51 Ca -0.47 -0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.06 1fjg h ARG 51 Cb 1.35 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.33 1fjg h ARG 51 CO 0.83 0.04 -0.45 0.20 -1.07 0.00 0.00 179.97 179.52 1fjg s GLY 52 N -3.02 1.95 0.85 0.04 0.00 -1.26 -4.99 107.32 100.89 1fjg s GLY 52 Ca -0.14 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 1fjg s GLY 52 CO 0.71 -1.67 1.17 2.56 0.00 0.00 0.00 173.10 175.87 1fjg s PRO 53 N -3.99 1.62 0.04 2.90 0.04 -1.26 -4.82 135.00 129.54 1fjg s PRO 53 Ca 0.42 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1fjg s PRO 53 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1fjg s PRO 53 CO 0.26 -1.84 0.00 0.34 0.04 0.00 0.00 177.00 175.79 1fjg n PHE 54 N -3.50 -0.61 -0.34 0.56 7.35 -1.26 -4.85 117.46 114.81 1fjg n PHE 54 Ca 0.08 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1fjg n PHE 54 Cb 0.60 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 39.54 1fjg n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1fjg n LYS 55 N 0.72 0.00 -2.52 -4.13 2.85 -1.26 -4.90 118.16 108.91 1fjg n LYS 55 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1fjg n LYS 55 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1fjg n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1fjg n HIS 56 N -0.02 -0.92 0.23 5.58 8.25 -1.26 -4.83 115.22 122.25 1fjg n HIS 56 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1fjg n HIS 56 Cb 0.00 -2.88 0.00 0.00 1.12 0.00 0.00 29.99 28.23 1fjg n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1fjg n LYS 57 N -2.43 0.02 -0.24 -0.41 2.85 -1.26 -0.39 118.16 116.30 1fjg n LYS 57 Ca -0.09 0.66 0.10 0.00 -1.05 0.00 0.00 58.31 57.94 1fjg n LYS 57 Cb 0.58 -2.04 0.27 0.00 -0.65 0.00 0.00 35.03 33.19 1fjg n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1fjg n ASP 58 N -1.95 3.09 0.00 -5.58 8.00 -1.26 -4.67 116.55 114.18 1fjg n ASP 58 Ca 0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1fjg n ASP 58 Cb 0.76 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1fjg n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fjg n SER 59 N 1.21 0.00 0.00 -2.24 7.64 0.48 -4.96 113.62 115.75 1fjg n SER 59 Ca 0.19 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1fjg n SER 59 Cb 0.51 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1fjg n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fjg n ARG 60 N -0.58 0.00 -1.80 1.43 3.00 -1.24 -4.59 116.66 112.88 1fjg n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1fjg n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1fjg n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1fjg n GLU 61 N 0.00 -2.95 -3.95 5.56 2.13 -1.25 -2.14 120.64 118.04 1fjg n GLU 61 Ca 0.00 2.10 -0.35 0.00 0.66 0.00 0.00 57.16 59.57 1fjg n GLU 61 Cb 0.00 -2.52 -0.09 0.00 0.27 0.00 0.00 31.44 29.10 1fjg n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1fjg s HIS 62 N -0.71 3.34 0.23 4.31 3.76 -1.26 -2.85 115.29 122.10 1fjg s HIS 62 Ca 0.00 0.22 0.11 0.00 -0.15 0.00 0.00 55.06 55.24 1fjg s HIS 62 Cb 0.00 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 1fjg s HIS 62 CO 0.00 0.31 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.93 1fjg s PHE 63 N 0.04 2.17 -0.23 1.40 0.40 0.56 -4.98 117.98 117.35 1fjg s PHE 63 Ca 0.07 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.82 1fjg s PHE 63 Cb -0.12 -1.00 0.06 0.00 0.51 0.00 0.00 43.02 42.47 1fjg s PHE 63 CO 0.00 0.57 0.60 -1.83 0.70 0.00 0.00 175.22 175.26 1fjg s GLU 64 N -3.18 0.69 -0.66 0.44 -1.05 -1.26 -0.38 118.70 113.30 1fjg s GLU 64 Ca 0.25 0.86 -0.03 0.00 -0.15 0.00 0.00 54.97 55.89 1fjg s GLU 64 Cb -0.06 0.31 0.17 0.00 -0.44 0.00 0.00 34.13 34.11 1fjg s GLU 64 CO 0.12 -0.09 0.48 -1.17 0.95 0.00 0.00 175.26 175.55 1fjg s LEU 65 N 0.47 5.35 -0.23 1.83 2.96 -0.44 -4.93 118.68 123.69 1fjg s LEU 65 Ca -0.01 -2.92 -0.27 0.00 -0.22 0.00 0.00 54.13 50.71 1fjg s LEU 65 Cb -0.04 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1fjg s LEU 65 CO -0.01 -0.37 0.93 0.00 -1.32 0.00 0.00 176.35 175.58 1fjg s ARG 66 N -0.16 4.23 -0.36 1.98 1.70 -1.26 -2.94 118.95 122.14 1fjg s ARG 66 Ca 0.18 1.15 -0.13 0.00 -0.47 0.00 0.00 55.73 56.45 1fjg s ARG 66 Cb -0.19 -3.64 -0.00 0.00 -0.57 0.00 0.00 34.95 30.55 1fjg s ARG 66 CO -0.04 -0.56 0.25 0.99 -1.08 0.00 0.00 175.30 174.86 1fjg s THR 67 N 2.96 5.18 0.43 4.99 2.01 -0.82 -4.37 115.64 126.02 1fjg s THR 67 Ca 0.39 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1fjg s THR 67 Cb -0.15 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1fjg s THR 67 CO 0.07 -0.11 0.66 -1.00 -0.69 0.00 0.00 174.62 173.55 1fjg s HIS 68 N 1.69 3.36 0.18 4.92 3.76 0.08 -2.65 115.29 126.63 1fjg s HIS 68 Ca 0.05 0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1fjg s HIS 68 Cb -0.18 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1fjg s HIS 68 CO 0.10 -0.22 0.08 -0.80 -0.85 0.00 0.00 174.74 173.05 1fjg s ASN 69 N -4.15 0.48 0.28 1.40 0.01 -1.26 -2.22 114.94 109.48 1fjg s ASN 69 Ca 0.46 -1.30 -0.15 0.00 -0.71 0.00 0.00 52.86 51.16 1fjg s ASN 69 Cb -0.10 0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.86 1fjg s ASN 69 CO 0.39 -0.75 0.61 -0.13 -1.51 0.00 0.00 177.10 175.70 1fjg s ARG 70 N -4.07 1.75 0.00 -0.60 1.81 -0.24 -4.40 118.95 113.21 1fjg s ARG 70 Ca 0.31 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 1fjg s ARG 70 Cb 0.07 0.54 0.00 0.00 -0.45 0.00 0.00 34.95 35.11 1fjg s ARG 70 CO 0.07 -0.77 0.00 -0.11 -0.68 0.00 0.00 175.30 173.81 1fjg n LEU 71 N -0.44 0.86 0.00 2.53 0.00 -0.14 -3.47 117.00 116.33 1fjg n LEU 71 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.98 1fjg n LEU 71 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.03 1fjg n LEU 71 CO 0.21 0.03 0.00 0.52 0.00 0.00 0.00 177.39 178.15 1fjg n VAL 72 N -2.38 0.00 -2.04 1.96 0.31 -1.23 -3.34 118.33 111.62 1fjg n VAL 72 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1fjg n VAL 72 Cb 0.27 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 1fjg n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1fjg n ASP 73 N 2.30 -2.22 -4.39 4.52 2.03 -1.26 -2.60 116.55 114.92 1fjg n ASP 73 Ca 0.00 0.66 -0.38 0.00 0.52 0.00 0.00 54.79 55.58 1fjg n ASP 73 Cb 0.00 -3.05 -0.12 0.00 -0.72 0.00 0.00 41.12 37.23 1fjg n ASP 73 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1fjg s ILE 74 N -0.45 4.31 -0.16 5.18 1.01 0.12 0.82 121.20 132.04 1fjg s ILE 74 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1fjg s ILE 74 Cb 0.01 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1fjg s ILE 74 CO 0.38 0.03 -0.00 -0.63 0.00 0.00 0.00 174.94 174.72 1fjg s ILE 75 N 1.55 4.20 0.00 2.92 1.01 -1.26 0.44 121.20 130.06 1fjg s ILE 75 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1fjg s ILE 75 Cb -0.17 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1fjg s ILE 75 CO 0.05 0.49 0.00 0.59 0.00 0.00 0.00 174.94 176.07 1fjg n ASN 76 N 3.41 -0.64 -4.72 3.58 3.02 -1.26 -4.34 115.26 114.31 1fjg n ASN 76 Ca -0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 1fjg n ASN 76 Cb 0.52 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 1fjg n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1fjg s PRO 77 N -2.16 4.56 -0.45 3.52 0.04 -1.26 -3.78 135.00 135.47 1fjg s PRO 77 Ca 0.00 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.34 1fjg s PRO 77 Cb 0.00 -3.43 0.15 0.00 0.04 0.00 0.00 34.50 31.26 1fjg s PRO 77 CO 0.00 0.07 0.28 -0.80 0.04 0.00 0.00 177.00 176.59 1fjg s ASN 78 N 0.62 3.30 0.00 6.66 0.01 -1.26 -4.95 114.94 119.32 1fjg s ASN 78 Ca 0.46 -2.77 0.00 0.00 -0.71 0.00 0.00 52.86 49.85 1fjg s ASN 78 Cb -0.21 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.55 1fjg s ASN 78 CO 0.26 -0.24 0.00 0.54 -1.51 0.00 0.00 177.10 176.15 1fjg n ARG 79 N 3.33 0.00 -0.00 -0.60 5.12 -1.26 0.31 116.66 123.56 1fjg n ARG 79 Ca 0.14 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.21 1fjg n ARG 79 Cb 0.37 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 32.27 1fjg n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1fjg h LYS 80 N 0.00 0.18 -0.99 5.56 1.63 -1.96 0.78 116.57 121.78 1fjg h LYS 80 Ca 0.00 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1fjg h LYS 80 Cb 0.00 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 1fjg h LYS 80 CO 0.00 0.12 0.64 1.15 -3.45 0.00 0.00 179.45 177.91 1fjg h THR 81 N 0.19 1.06 0.00 1.00 2.02 -0.28 0.41 112.91 117.31 1fjg h THR 81 Ca 0.23 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1fjg h THR 81 Cb 0.66 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1fjg h THR 81 CO -0.04 0.21 -0.52 -0.38 0.37 0.00 0.00 175.52 175.16 1fjg n ILE 82 N -4.51 0.11 0.07 3.11 5.41 0.14 -3.74 119.36 119.95 1fjg n ILE 82 Ca 0.16 -0.09 -0.08 0.00 1.00 0.00 0.00 62.75 63.74 1fjg n ILE 82 Cb 0.21 0.09 -0.09 0.00 -0.71 0.00 0.00 39.64 39.14 1fjg n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1fjg h GLU 83 N 0.00 0.05 0.00 0.38 4.57 0.44 -3.04 114.58 116.98 1fjg h GLU 83 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1fjg h GLU 83 Cb 0.58 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1fjg h GLU 83 CO 0.00 0.99 0.00 1.04 -1.18 0.00 0.00 179.01 179.86 1fjg n GLN 84 N -3.44 0.06 0.00 1.92 6.02 0.41 -4.00 117.38 118.36 1fjg n GLN 84 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1fjg n GLN 84 Cb 0.91 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.60 1fjg n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1fjg n LEU 85 N -1.68 0.41 -0.05 1.08 4.77 -1.15 -3.98 117.00 116.41 1fjg n LEU 85 Ca 0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1fjg n LEU 85 Cb 0.33 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.67 1fjg n LEU 85 CO 0.26 0.00 0.93 0.23 -1.33 0.00 0.00 177.39 177.48 1fjg n MET 86 N -0.27 0.01 -0.08 3.23 2.81 -1.18 -0.81 117.12 120.84 1fjg n MET 86 Ca 0.00 0.79 -0.20 0.00 -1.81 0.00 0.00 57.70 56.47 1fjg n MET 86 Cb 0.00 -2.00 -0.12 0.00 -0.71 0.00 0.00 33.22 30.39 1fjg n MET 86 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1fjg h THR 87 N 0.00 1.09 -3.67 2.03 1.35 -1.80 -3.46 112.91 108.46 1fjg h THR 87 Ca 0.28 -2.25 -0.66 0.00 -0.55 0.00 0.00 66.41 63.22 1fjg h THR 87 Cb 2.10 2.54 -0.17 0.00 -1.73 0.00 0.00 68.15 70.89 1fjg h THR 87 CO -0.00 0.46 -0.28 -0.76 -0.25 0.00 0.00 175.52 174.69 1fjg s LEU 88 N -7.85 4.42 0.03 3.87 1.43 0.01 -5.06 118.68 115.54 1fjg s LEU 88 Ca -0.25 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1fjg s LEU 88 Cb 0.04 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1fjg s LEU 88 CO 0.65 -0.34 0.04 -1.81 0.23 0.00 0.00 176.35 175.12 1fjg s ASP 89 N 1.73 0.25 0.13 2.29 1.01 -1.26 -4.80 116.67 116.02 1fjg s ASP 89 Ca 0.12 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1fjg s ASP 89 Cb -0.16 0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.96 1fjg s ASP 89 CO 0.12 -0.47 0.00 0.18 0.21 0.00 0.00 175.17 175.21 1fjg n LEU 90 N 0.87 -0.84 -4.13 1.23 4.77 -1.26 -5.14 117.00 112.50 1fjg n LEU 90 Ca -0.19 0.24 -0.45 0.00 -0.03 0.00 0.00 56.01 55.58 1fjg n LEU 90 Cb 0.58 1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 42.65 1fjg n LEU 90 CO 0.23 -0.38 -0.04 -2.65 -1.33 0.00 0.00 177.39 173.22 1fjg n PRO 91 N -2.81 0.00 -0.09 3.23 -0.02 -1.26 -4.94 135.00 129.11 1fjg n PRO 91 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1fjg n PRO 91 Cb 0.00 -0.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.43 1fjg n PRO 91 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1fjg n THR 92 N -0.07 1.16 -0.25 3.45 -1.04 -1.26 -4.41 114.28 111.86 1fjg n THR 92 Ca 0.16 -0.56 -0.06 0.00 -2.04 0.00 0.00 64.05 61.56 1fjg n THR 92 Cb 0.25 -0.96 0.17 0.00 -1.82 0.00 0.00 70.33 67.97 1fjg n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fjg n GLY 93 N 2.29 2.99 2.97 3.41 0.00 -1.26 -4.81 105.19 110.77 1fjg n GLY 93 Ca -0.33 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1fjg n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 94 N -2.02 1.36 -0.22 1.61 1.01 -1.26 -4.00 120.40 116.88 1fjg s VAL 94 Ca 0.34 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1fjg s VAL 94 Cb 0.27 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1fjg s VAL 94 CO 0.08 0.37 0.05 -0.70 0.00 0.00 0.00 175.10 174.90 1fjg s GLU 95 N 1.56 3.72 0.04 2.72 2.12 -0.67 -4.97 118.70 123.23 1fjg s GLU 95 Ca 0.04 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 1fjg s GLU 95 Cb -0.13 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1fjg s GLU 95 CO -0.09 -0.03 0.20 0.42 -0.54 0.00 0.00 175.26 175.21 1fjg s ILE 96 N 1.18 5.40 -0.28 -3.70 1.01 -1.26 -2.04 121.20 121.51 1fjg s ILE 96 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 1fjg s ILE 96 Cb -0.14 -3.60 0.10 0.00 0.01 0.00 0.00 42.46 38.82 1fjg s ILE 96 CO 0.03 0.20 0.11 -1.61 0.00 0.00 0.00 174.94 173.67 1fjg s GLU 97 N -2.33 0.34 -0.27 2.79 0.41 -0.99 -4.99 118.70 113.66 1fjg s GLU 97 Ca 0.33 -0.63 -0.09 0.00 -0.41 0.00 0.00 54.97 54.16 1fjg s GLU 97 Cb -0.13 -1.47 -0.04 0.00 -1.78 0.00 0.00 34.13 30.72 1fjg s GLU 97 CO 0.25 -0.97 0.13 0.42 -0.49 0.00 0.00 175.26 174.60 1fjg s ILE 98 N 1.97 4.76 -0.18 -1.63 1.01 -1.26 -0.28 121.20 125.58 1fjg s ILE 98 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1fjg s ILE 98 Cb -0.16 -3.27 0.08 0.00 0.01 0.00 0.00 42.46 39.12 1fjg s ILE 98 CO -0.31 0.27 0.40 -0.54 0.00 0.00 0.00 174.94 174.77 1fjg s LYS 99 N 1.68 0.33 0.00 2.79 1.02 -0.41 -4.98 119.74 120.16 1fjg s LYS 99 Ca 0.06 0.95 0.27 0.00 0.02 0.00 0.00 55.97 57.27 1fjg s LYS 99 Cb -0.16 0.21 0.87 0.00 -0.52 0.00 0.00 37.83 38.23 1fjg s LYS 99 CO 0.07 -0.23 1.65 2.41 -0.92 0.00 0.00 175.35 178.33