#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nea s GLU 2 N 0.00 0.19 0.24 1.96 2.02 -1.26 -2.01 118.70 119.84 1nea s GLU 2 Ca 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 1nea s GLU 2 Cb 0.00 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 1nea s GLU 2 CO 0.00 -0.03 0.39 0.00 0.02 0.00 0.00 175.26 175.64 1nea s HIS 4 N -4.04 3.48 -0.41 0.00 0.09 -1.26 -2.12 115.29 111.03 1nea s HIS 4 Ca 0.27 0.31 0.10 0.00 -0.00 0.00 0.00 55.06 55.73 1nea s HIS 4 Cb 0.01 -1.83 0.33 0.00 -0.00 0.00 0.00 32.58 31.09 1nea s HIS 4 CO 0.10 0.36 0.86 0.27 -0.00 0.00 0.00 174.74 176.33 1nea n ASN 5 N -0.83 -0.43 -4.87 1.40 0.23 -0.87 -4.60 115.26 105.30 1nea n ASN 5 Ca -0.05 -3.25 -0.32 0.00 -0.53 0.00 0.00 54.58 50.44 1nea n ASN 5 Cb 0.54 0.35 -0.05 0.00 -2.08 0.00 0.00 39.78 38.54 1nea n ASN 5 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1nea s GLN 6 N -1.32 3.85 0.05 -3.83 -0.21 -1.26 -4.66 119.66 112.28 1nea s GLN 6 Ca 0.33 0.40 0.03 0.00 0.02 0.00 0.00 55.36 56.14 1nea s GLN 6 Cb 0.32 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 1nea s GLN 6 CO -0.08 0.22 -0.10 -0.65 -2.12 0.00 0.00 175.29 172.56 1nea s GLN 7 N -3.05 0.63 0.00 2.91 -0.21 -1.26 -4.47 119.66 114.21 1nea s GLN 7 Ca 0.50 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1nea s GLN 7 Cb -0.11 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.42 1nea s GLN 7 CO 0.22 0.10 0.00 0.43 -2.12 0.00 0.00 175.29 173.92 1nea n SER 8 N 1.43 0.00 0.13 5.90 7.64 -1.26 0.51 113.62 127.97 1nea n SER 8 Ca -0.22 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.64 1nea n SER 8 Cb 0.54 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.93 1nea n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1nea h SER 9 N 0.00 0.09 -1.99 6.43 0.02 -1.99 -3.48 113.55 112.63 1nea h SER 9 Ca 0.00 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 1nea h SER 9 Cb 0.00 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.54 1nea h SER 9 CO 0.00 0.64 -0.23 1.67 -1.14 0.00 0.00 176.83 177.76 1nea n GLN 10 N -3.88 -1.84 -1.78 3.45 7.27 0.18 -5.09 117.38 115.70 1nea n GLN 10 Ca -0.02 0.35 -0.31 0.00 0.07 0.00 0.00 57.00 57.10 1nea n GLN 10 Cb 0.58 -4.07 0.03 0.00 2.41 0.00 0.00 30.24 29.18 1nea n GLN 10 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1nea s PRO 11 N -4.95 3.26 -0.06 3.69 0.04 -1.26 -4.92 135.00 130.80 1nea s PRO 11 Ca 0.11 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 1nea s PRO 11 Cb -0.05 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1nea s PRO 11 CO 0.14 -0.82 1.30 -1.25 0.04 0.00 0.00 177.00 176.41 1nea s PRO 12 N -5.16 4.30 0.01 0.56 0.04 -1.26 -4.70 135.00 128.78 1nea s PRO 12 Ca 0.56 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1nea s PRO 12 Cb -0.12 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1nea s PRO 12 CO 0.54 -0.55 -0.02 0.95 0.04 0.00 0.00 177.00 177.96 1nea s THR 13 N 2.58 0.08 0.12 1.26 -4.23 -1.26 -5.07 115.64 109.13 1nea s THR 13 Ca 0.59 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1nea s THR 13 Cb -0.27 -0.13 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 1nea s THR 13 CO 0.23 -0.15 -0.01 0.42 -0.54 0.00 0.00 174.62 174.56 1nea s THR 14 N -0.49 0.50 0.11 3.99 -4.23 -1.26 -2.04 115.64 112.21 1nea s THR 14 Ca -0.05 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1nea s THR 14 Cb -0.03 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 1nea s THR 14 CO -0.00 -0.67 0.22 -0.54 -0.54 0.00 0.00 174.62 173.09 1nea s LYS 15 N -3.92 0.93 -0.05 3.99 -0.14 -0.90 -4.91 119.74 114.75 1nea s LYS 15 Ca 0.18 -1.01 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 1nea s LYS 15 Cb 0.06 0.36 -0.01 0.00 -1.68 0.00 0.00 37.83 36.56 1nea s LYS 15 CO -0.01 -0.31 -0.21 0.95 -0.76 0.00 0.00 175.35 175.00 1nea s THR 16 N -3.89 1.74 -0.38 2.17 -4.23 -1.26 -2.38 115.64 107.42 1nea s THR 16 Ca 0.08 -0.90 0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1nea s THR 16 Cb 0.04 -1.47 0.36 0.00 1.34 0.00 0.00 72.50 72.77 1nea s THR 16 CO -0.08 0.49 0.77 0.00 -0.54 0.00 0.00 174.62 175.26 1nea s PRO 18 N -2.59 2.12 0.00 0.00 0.04 -1.26 -2.16 135.00 131.16 1nea s PRO 18 Ca 0.39 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1nea s PRO 18 Cb 0.36 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1nea s PRO 18 CO -0.07 -3.56 0.00 0.41 0.04 0.00 0.00 177.00 173.82 1nea n GLY 19 N 6.34 1.21 3.91 0.56 0.00 -1.26 -4.92 105.19 111.02 1nea n GLY 19 Ca 0.37 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1nea n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nea s GLU 20 N 0.00 3.06 -0.21 1.61 0.41 -0.92 -5.02 118.70 117.63 1nea s GLU 20 Ca 0.00 0.13 0.09 0.00 -0.41 0.00 0.00 54.97 54.78 1nea s GLU 20 Cb 0.00 -2.25 -0.19 0.00 -1.78 0.00 0.00 34.13 29.91 1nea s GLU 20 CO 0.00 -0.65 -0.08 0.25 -0.49 0.00 0.00 175.26 174.29 1nea n THR 21 N -2.59 1.34 -4.52 3.63 -2.24 -1.26 -4.81 114.28 103.82 1nea n THR 21 Ca 0.04 -0.66 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 1nea n THR 21 Cb 0.57 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 1nea n THR 21 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1nea s ASN 22 N -5.85 3.33 0.14 3.42 -0.87 -1.26 -4.74 114.94 109.11 1nea s ASN 22 Ca -0.21 -1.28 0.07 0.00 -1.57 0.00 0.00 52.86 49.87 1nea s ASN 22 Cb 0.07 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.25 40.98 1nea s ASN 22 CO 0.66 -0.37 -0.15 0.00 -2.57 0.00 0.00 177.10 174.66 1nea s TYR 24 N -2.18 1.89 0.00 0.00 -0.85 -0.35 -2.38 117.35 113.48 1nea s TYR 24 Ca 0.12 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.90 1nea s TYR 24 Cb -0.05 -1.12 -0.01 0.00 0.38 0.00 0.00 41.96 41.16 1nea s TYR 24 CO 0.04 0.17 -0.06 0.15 -1.52 0.00 0.00 175.55 174.34 1nea s LYS 25 N -3.78 0.46 0.04 -3.49 1.02 -0.57 -2.11 119.74 111.31 1nea s LYS 25 Ca 0.31 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1nea s LYS 25 Cb 0.05 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1nea s LYS 25 CO 0.12 0.11 -0.05 0.21 -0.92 0.00 0.00 175.35 174.82 1nea s LYS 26 N -0.34 0.45 -0.00 1.68 2.20 -0.87 -2.19 119.74 120.67 1nea s LYS 26 Ca 0.00 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1nea s LYS 26 Cb -0.03 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1nea s LYS 26 CO -0.00 -0.01 -0.01 0.08 -0.36 0.00 0.00 175.35 175.05 1nea s VAL 27 N -1.70 0.06 0.09 4.02 1.01 -1.01 -2.39 120.40 120.48 1nea s VAL 27 Ca -0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1nea s VAL 27 Cb -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.27 1nea s VAL 27 CO -0.01 0.02 0.40 -1.66 0.00 0.00 0.00 175.10 173.85 1nea s TRP 28 N 0.04 -0.22 0.27 5.22 -2.14 -1.00 -2.26 118.94 118.84 1nea s TRP 28 Ca -0.00 0.01 0.12 0.00 2.66 0.00 0.00 56.10 58.89 1nea s TRP 28 Cb -0.01 0.23 -0.05 0.00 -3.10 0.00 0.00 33.47 30.54 1nea s TRP 28 CO -0.00 -0.64 -0.19 1.03 -2.66 0.00 0.00 176.95 174.48 1nea s ARG 29 N -3.27 1.69 0.11 3.25 3.00 -1.26 -2.34 118.95 120.13 1nea s ARG 29 Ca -0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 55.73 54.00 1nea s ARG 29 Cb 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 34.95 33.16 1nea s ARG 29 CO -0.08 0.34 0.15 -3.47 0.00 0.00 0.00 175.30 172.23 1nea n ASP 30 N -0.53 -0.41 0.15 0.23 2.03 -0.25 -4.99 116.55 112.79 1nea n ASP 30 Ca -0.06 -1.58 0.02 0.00 0.52 0.00 0.00 54.79 53.69 1nea n ASP 30 Cb 0.59 0.76 0.20 0.00 -0.72 0.00 0.00 41.12 41.96 1nea n ASP 30 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1nea h HIS 31 N 1.31 0.00 0.02 -0.67 3.86 -2.03 -3.28 115.15 114.36 1nea h HIS 31 Ca -0.08 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1nea h HIS 31 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1nea h HIS 31 CO 0.00 0.53 -0.01 0.00 0.86 0.00 0.00 177.93 179.31 1nea h ARG 32 N 0.00 -0.03 0.00 2.45 3.08 -2.04 -3.50 114.38 114.34 1nea h ARG 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nea h ARG 32 Cb 1.11 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1nea h ARG 32 CO 0.07 0.69 0.00 0.41 -1.07 0.00 0.00 179.97 180.07 1nea n GLY 33 N 1.12 1.48 3.26 0.04 0.00 -1.24 -5.17 105.19 104.67 1nea n GLY 33 Ca -0.09 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1nea n GLY 33 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nea s THR 34 N 0.75 0.62 0.14 2.61 -1.32 -1.26 -1.09 115.64 116.08 1nea s THR 34 Ca 0.00 -1.98 -0.08 0.00 -1.21 0.00 0.00 61.69 58.41 1nea s THR 34 Cb 0.00 -2.27 -0.01 0.00 -1.51 0.00 0.00 72.50 68.71 1nea s THR 34 CO 0.00 -0.33 0.24 -0.63 -2.21 0.00 0.00 174.62 171.69 1nea s ILE 35 N -3.70 0.09 0.03 5.08 1.01 -0.99 -5.00 121.20 117.71 1nea s ILE 35 Ca 0.28 -1.39 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 1nea s ILE 35 Cb 0.07 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1nea s ILE 35 CO 0.07 -0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 173.94 1nea s ILE 36 N -3.95 0.15 0.23 2.92 1.01 -1.26 -2.38 121.20 117.92 1nea s ILE 36 Ca 0.15 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 1nea s ILE 36 Cb 0.04 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 1nea s ILE 36 CO -0.03 -0.59 0.45 -1.83 0.00 0.00 0.00 174.94 172.95 1nea s GLU 37 N -1.93 1.47 0.12 2.79 -1.05 -1.01 -4.50 118.70 114.60 1nea s GLU 37 Ca -0.11 -1.20 0.04 0.00 -0.15 0.00 0.00 54.97 53.54 1nea s GLU 37 Cb -0.07 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 1nea s GLU 37 CO -0.03 -0.60 -0.10 1.03 0.95 0.00 0.00 175.26 176.51 1nea s ARG 38 N -4.00 0.96 0.01 -4.83 0.52 -1.26 -2.04 118.95 108.30 1nea s ARG 38 Ca 0.21 -1.33 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 1nea s ARG 38 Cb -0.00 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.93 1nea s ARG 38 CO 0.07 0.07 0.13 0.41 0.02 0.00 0.00 175.30 176.00 1nea n GLY 39 N 0.10 0.86 3.71 -3.53 0.00 -0.90 -4.90 105.19 100.53 1nea n GLY 39 Ca -0.13 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1nea n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea n GLY 41 N 1.86 -2.93 2.66 0.00 0.00 -0.49 -4.79 105.19 101.49 1nea n GLY 41 Ca -0.17 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 1nea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea s PRO 43 N -1.22 2.20 0.32 0.00 0.04 -1.26 -5.11 135.00 129.97 1nea s PRO 43 Ca 0.25 1.21 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1nea s PRO 43 Cb 0.41 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 33.02 1nea s PRO 43 CO -0.04 -1.69 0.05 0.95 0.04 0.00 0.00 177.00 176.31 1nea s THR 44 N -2.86 2.97 0.00 1.26 -4.23 -1.26 -5.10 115.64 106.43 1nea s THR 44 Ca 0.62 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1nea s THR 44 Cb -0.18 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1nea s THR 44 CO 0.55 -0.24 0.00 0.52 -0.54 0.00 0.00 174.62 174.91 1nea n VAL 45 N -1.00 0.00 -3.82 2.29 0.31 -1.26 -5.18 118.33 109.67 1nea n VAL 45 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 1nea n VAL 45 Cb 0.61 -0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.45 1nea n VAL 45 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1nea s LYS 46 N 0.00 0.96 -0.45 5.55 1.02 -1.26 -5.08 119.74 120.48 1nea s LYS 46 Ca 0.00 -0.94 -0.27 0.00 0.02 0.00 0.00 55.97 54.79 1nea s LYS 46 Cb 0.00 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.64 1nea s LYS 46 CO 0.00 -0.33 2.24 -1.25 -0.92 0.00 0.00 175.35 175.09 1nea s PRO 47 N -3.87 2.45 0.00 -1.68 0.04 -1.26 -2.13 135.00 128.55 1nea s PRO 47 Ca 0.07 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1nea s PRO 47 Cb 0.04 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 30.09 1nea s PRO 47 CO -0.09 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1nea n GLY 48 N 5.87 0.23 3.99 0.56 0.00 -1.26 -5.14 105.19 109.44 1nea n GLY 48 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1nea n GLY 48 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nea s ILE 49 N 0.00 2.77 0.03 -0.61 -5.25 -0.90 -4.59 121.20 112.64 1nea s ILE 49 Ca 0.00 -0.79 0.05 0.00 -0.99 0.00 0.00 60.65 58.93 1nea s ILE 49 Cb 0.00 -2.98 -0.02 0.00 2.95 0.00 0.00 42.46 42.41 1nea s ILE 49 CO 0.00 0.00 -0.16 -0.54 -1.79 0.00 0.00 174.94 172.45 1nea s LYS 50 N -4.62 1.10 0.12 0.37 3.01 -0.96 -5.00 119.74 113.77 1nea s LYS 50 Ca 0.57 -0.74 0.04 0.00 -1.01 0.00 0.00 55.97 54.82 1nea s LYS 50 Cb -0.10 -1.13 -0.04 0.00 -1.01 0.00 0.00 37.83 35.55 1nea s LYS 50 CO 0.37 0.29 -0.09 -1.17 0.51 0.00 0.00 175.35 175.25 1nea s LEU 51 N -0.95 2.50 -0.19 3.17 0.20 -1.26 -2.40 118.68 119.75 1nea s LEU 51 Ca 0.04 -0.97 -0.18 0.00 0.69 0.00 0.00 54.13 53.72 1nea s LEU 51 Cb -0.07 -0.26 0.05 0.00 -0.43 0.00 0.00 46.19 45.47 1nea s LEU 51 CO 0.01 -0.35 0.51 0.20 -0.29 0.00 0.00 176.35 176.43 1nea s ASN 52 N -2.97 -0.53 0.06 3.68 -0.87 -0.93 -5.01 114.94 108.37 1nea s ASN 52 Ca 0.13 1.03 -0.05 0.00 -1.57 0.00 0.00 52.86 52.40 1nea s ASN 52 Cb 0.02 1.04 -0.02 0.00 -0.02 0.00 0.00 41.25 42.27 1nea s ASN 52 CO -0.01 -0.18 0.08 0.00 -2.57 0.00 0.00 177.10 174.42 1nea n THR 55 N -0.37 0.11 -2.12 0.00 -2.24 -1.26 -2.42 114.28 105.99 1nea n THR 55 Ca 0.01 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 1nea n THR 55 Cb 0.64 -0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.84 1nea n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nea s THR 56 N -2.22 2.16 0.55 4.28 2.01 -1.26 -4.92 115.64 116.23 1nea s THR 56 Ca -0.02 -0.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 1nea s THR 56 Cb 0.02 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1nea s THR 56 CO 0.18 0.00 0.87 -1.81 -0.69 0.00 0.00 174.62 173.17 1nea s ASP 57 N -4.60 5.98 -1.57 3.53 1.11 -1.26 -4.19 116.67 115.67 1nea s ASP 57 Ca 0.63 0.92 -0.07 0.00 0.18 0.00 0.00 52.55 54.21 1nea s ASP 57 Cb -0.09 -2.07 0.06 0.00 1.07 0.00 0.00 42.92 41.89 1nea s ASP 57 CO 0.47 -0.82 0.38 1.17 1.18 0.00 0.00 175.17 177.55 1nea n LYS 58 N -2.47 -2.22 -0.02 8.23 4.81 -1.26 -4.84 118.16 120.38 1nea n LYS 58 Ca 0.03 0.27 -0.01 0.00 -0.87 0.00 0.00 58.31 57.73 1nea n LYS 58 Cb 0.56 -4.37 -0.13 0.00 0.02 0.00 0.00 35.03 31.11 1nea n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nea n ASN 60 N -2.70 6.56 0.00 0.00 0.23 -1.26 -5.10 115.26 112.99 1nea n ASN 60 Ca -0.16 -3.70 0.12 0.00 -0.53 0.00 0.00 54.58 50.32 1nea n ASN 60 Cb 0.88 -0.99 0.71 0.00 -2.08 0.00 0.00 39.78 38.29 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13