#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 0.17 0.27 1.96 2.02 -1.26 -1.91 118.70 119.96 1nea s GLU 2 Ca 0.00 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1nea s GLU 2 Cb 0.00 0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 1nea s GLU 2 CO 0.00 -0.03 0.22 0.00 0.02 0.00 0.00 175.26 175.47 1nea s HIS 4 N -3.75 3.23 -0.32 0.00 3.76 -1.26 -2.20 115.29 114.74 1nea s HIS 4 Ca 0.40 -0.01 0.18 0.00 -0.15 0.00 0.00 55.06 55.48 1nea s HIS 4 Cb 0.04 -1.53 0.46 0.00 1.11 0.00 0.00 32.58 32.67 1nea s HIS 4 CO 0.21 0.51 0.97 0.27 -0.85 0.00 0.00 174.74 175.85 1nea n ASN 5 N -0.60 1.63 -4.62 1.40 0.23 -0.95 -4.46 115.26 107.88 1nea n ASN 5 Ca -0.08 -2.72 -0.43 0.00 -0.53 0.00 0.00 54.58 50.82 1nea n ASN 5 Cb 0.55 -0.52 -0.02 0.00 -2.08 0.00 0.00 39.78 37.71 1nea n ASN 5 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1nea s GLN 6 N -3.19 3.86 0.00 -3.83 0.74 -1.26 -4.72 119.66 111.27 1nea s GLN 6 Ca 0.28 1.10 -0.03 0.00 0.05 0.00 0.00 55.36 56.77 1nea s GLN 6 Cb 0.45 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1nea s GLN 6 CO 0.02 -1.19 0.20 -0.65 -0.55 0.00 0.00 175.29 173.12 1nea s GLN 7 N 4.24 3.45 0.00 1.67 -0.21 -1.26 -4.57 119.66 122.99 1nea s GLN 7 Ca 0.55 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.61 1nea s GLN 7 Cb -0.15 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.78 1nea s GLN 7 CO 0.24 0.66 0.00 0.45 -2.12 0.00 0.00 175.29 174.52 1nea n SER 8 N 0.86 0.00 -0.07 5.90 2.88 -1.26 -0.69 113.62 121.24 1nea n SER 8 Ca -0.10 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.45 1nea n SER 8 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1nea n SER 8 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nea n SER 9 N 0.00 0.96 -4.86 -3.46 3.41 -1.26 -5.07 113.62 103.33 1nea n SER 9 Ca 0.00 -1.70 -0.31 0.00 -0.26 0.00 0.00 58.87 56.60 1nea n SER 9 Cb 0.00 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1nea n SER 9 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nea s GLN 10 N -0.66 3.74 0.85 4.33 -0.21 0.13 -5.03 119.66 122.82 1nea s GLN 10 Ca 0.03 0.74 -0.10 0.00 0.02 0.00 0.00 55.36 56.05 1nea s GLN 10 Cb 0.03 -2.16 0.11 0.00 1.00 0.00 0.00 33.01 31.98 1nea s GLN 10 CO 0.00 -0.37 1.11 -1.25 -2.12 0.00 0.00 175.29 172.67 1nea s PRO 11 N -4.60 1.57 0.41 2.91 0.04 -1.26 -4.56 135.00 129.51 1nea s PRO 11 Ca 0.55 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1nea s PRO 11 Cb -0.10 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1nea s PRO 11 CO 0.43 -2.17 1.30 -1.25 0.04 0.00 0.00 177.00 175.35 1nea s PRO 12 N -4.79 3.93 0.04 0.56 0.04 -1.26 -4.81 135.00 128.72 1nea s PRO 12 Ca 0.64 2.15 -0.05 0.00 0.04 0.00 0.00 61.00 63.78 1nea s PRO 12 Cb -0.20 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1nea s PRO 12 CO 0.57 -0.52 0.08 0.95 0.04 0.00 0.00 177.00 178.12 1nea s THR 13 N -1.27 0.14 0.20 1.26 -4.23 -1.26 -5.06 115.64 105.43 1nea s THR 13 Ca 0.58 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1nea s THR 13 Cb -0.38 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 1nea s THR 13 CO 0.48 -0.65 -0.05 0.42 -0.54 0.00 0.00 174.62 174.28 1nea s THR 14 N -2.80 1.18 0.15 3.99 -4.23 -1.26 -2.25 115.64 110.42 1nea s THR 14 Ca -0.03 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 1nea s THR 14 Cb -0.00 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1nea s THR 14 CO -0.06 -0.49 0.20 -0.54 -0.54 0.00 0.00 174.62 173.19 1nea s LYS 15 N -3.80 1.07 0.23 3.99 -0.14 -0.93 -4.94 119.74 115.22 1nea s LYS 15 Ca 0.24 -1.29 0.08 0.00 -1.36 0.00 0.00 55.97 53.64 1nea s LYS 15 Cb 0.04 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.47 1nea s LYS 15 CO 0.06 -0.36 0.05 0.95 -0.76 0.00 0.00 175.35 175.29 1nea s THR 16 N -4.00 3.81 -0.40 2.17 -4.23 -1.26 -2.44 115.64 109.28 1nea s THR 16 Ca 0.20 -1.60 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1nea s THR 16 Cb 0.05 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.24 1nea s THR 16 CO 0.01 -0.27 0.76 0.00 -0.54 0.00 0.00 174.62 174.58 1nea s PRO 18 N -2.59 2.67 0.00 0.00 0.04 -1.26 -2.11 135.00 131.75 1nea s PRO 18 Ca 0.41 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1nea s PRO 18 Cb 0.34 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1nea s PRO 18 CO -0.09 -3.39 0.00 0.41 0.04 0.00 0.00 177.00 173.97 1nea n GLY 19 N 6.57 0.29 3.66 0.56 0.00 -1.26 -5.07 105.19 109.94 1nea n GLY 19 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 2.06 0.00 1.61 8.01 -0.89 -5.06 118.70 124.42 1nea s GLU 20 Ca 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 54.97 52.99 1nea s GLU 20 Cb 0.00 -1.78 0.00 0.00 -4.31 0.00 0.00 34.13 28.04 1nea s GLU 20 CO 0.00 -0.06 0.23 0.25 0.01 0.00 0.00 175.26 175.69 1nea n THR 21 N -1.06 0.00 -4.38 3.63 -2.24 -1.26 -4.38 114.28 104.59 1nea n THR 21 Ca -0.04 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 1nea n THR 21 Cb 0.66 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.28 2.07 0.17 3.42 0.01 -1.26 -4.80 114.94 114.26 1nea s ASN 22 Ca 0.00 -1.29 0.06 0.00 -0.71 0.00 0.00 52.86 50.92 1nea s ASN 22 Cb 0.00 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.59 1nea s ASN 22 CO 0.00 -0.55 -0.13 0.00 -1.51 0.00 0.00 177.10 174.92 1nea s TYR 24 N -3.00 1.81 -0.01 0.00 -0.85 -0.67 -2.44 117.35 112.19 1nea s TYR 24 Ca 0.18 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 56.07 1nea s TYR 24 Cb 0.00 -0.95 0.01 0.00 0.38 0.00 0.00 41.96 41.40 1nea s TYR 24 CO 0.04 0.30 0.02 0.15 -1.52 0.00 0.00 175.55 174.53 1nea s LYS 25 N -3.70 -0.01 0.06 -3.49 1.02 -0.46 -1.70 119.74 111.47 1nea s LYS 25 Ca 0.26 0.08 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 1nea s LYS 25 Cb 0.02 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1nea s LYS 25 CO 0.09 -0.06 0.12 -1.59 -0.92 0.00 0.00 175.35 172.99 1nea s LYS 26 N 0.40 0.69 0.03 1.68 -2.85 -0.99 -1.83 119.74 116.87 1nea s LYS 26 Ca -0.03 -0.88 0.02 0.00 -1.00 0.00 0.00 55.97 54.07 1nea s LYS 26 Cb -0.05 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.97 1nea s LYS 26 CO -0.01 -0.19 -0.06 0.08 0.10 0.00 0.00 175.35 175.26 1nea s VAL 27 N -3.25 0.43 0.04 1.79 1.01 -1.00 -2.43 120.40 117.00 1nea s VAL 27 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 1nea s VAL 27 Cb 0.02 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1nea s VAL 27 CO -0.08 -0.36 0.36 -1.66 0.00 0.00 0.00 175.10 173.37 1nea s TRP 28 N -1.26 -0.19 0.22 5.22 -2.14 -1.03 -2.23 118.94 117.53 1nea s TRP 28 Ca -0.10 0.10 0.10 0.00 2.66 0.00 0.00 56.10 58.85 1nea s TRP 28 Cb -0.09 0.16 -0.04 0.00 -3.10 0.00 0.00 33.47 30.40 1nea s TRP 28 CO 0.00 -0.54 -0.10 1.03 -2.66 0.00 0.00 176.95 174.68 1nea s ARG 29 N -2.53 2.01 0.20 3.25 0.52 -1.26 -2.30 118.95 118.83 1nea s ARG 29 Ca -0.05 -1.40 0.04 0.00 -0.52 0.00 0.00 55.73 53.81 1nea s ARG 29 Cb -0.01 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1nea s ARG 29 CO -0.03 0.40 0.16 -3.47 0.02 0.00 0.00 175.30 172.38 1nea n ASP 30 N -0.25 -0.32 -0.07 0.23 2.03 -0.10 -4.94 116.55 113.14 1nea n ASP 30 Ca -0.09 -2.30 -0.12 0.00 0.52 0.00 0.00 54.79 52.80 1nea n ASP 30 Cb 0.57 0.97 -0.06 0.00 -0.72 0.00 0.00 41.12 41.88 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 1.62 0.47 -1.99 -0.67 3.86 -2.03 -3.33 115.15 113.08 1nea h HIS 31 Ca -0.14 -0.11 -0.51 0.00 -1.16 0.00 0.00 60.37 58.44 1nea h HIS 31 Cb 0.71 -0.11 -0.41 0.00 1.06 0.00 0.00 27.41 28.66 1nea h HIS 31 CO 0.00 0.69 -0.99 -2.13 0.86 0.00 0.00 177.93 176.36 1nea n ARG 32 N -4.58 1.87 0.00 2.45 0.00 -1.26 -5.06 116.66 110.08 1nea n ARG 32 Ca -0.05 -3.92 0.00 0.00 -0.00 0.00 0.00 57.85 53.88 1nea n ARG 32 Cb 0.31 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.90 1nea n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nea n GLY 33 N 0.04 1.59 3.61 5.14 0.00 -1.25 -5.17 105.19 109.14 1nea n GLY 33 Ca 0.26 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1nea n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nea s THR 34 N -2.00 0.00 0.22 2.61 2.01 -1.26 -0.92 115.64 116.29 1nea s THR 34 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1nea s THR 34 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1nea s THR 34 CO 0.00 0.00 0.33 -0.63 -0.69 0.00 0.00 174.62 173.63 1nea s ILE 35 N -0.07 0.01 0.02 1.82 1.01 -0.97 -4.98 121.20 118.04 1nea s ILE 35 Ca -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.05 1nea s ILE 35 Cb -0.04 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1nea s ILE 35 CO 0.01 -0.06 -0.03 -0.63 0.00 0.00 0.00 174.94 174.23 1nea s ILE 36 N -4.05 0.16 0.14 2.92 1.09 -1.26 -2.45 121.20 117.75 1nea s ILE 36 Ca 0.27 -0.68 -0.12 0.00 -1.10 0.00 0.00 60.65 59.02 1nea s ILE 36 Cb 0.03 -0.26 0.01 0.00 -1.06 0.00 0.00 42.46 41.18 1nea s ILE 36 CO 0.08 -0.33 0.32 -1.83 -0.10 0.00 0.00 174.94 173.09 1nea s GLU 37 N -1.05 1.09 0.20 2.79 -1.05 -1.02 -4.43 118.70 115.23 1nea s GLU 37 Ca -0.10 -0.97 0.11 0.00 -0.15 0.00 0.00 54.97 53.86 1nea s GLU 37 Cb -0.07 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1nea s GLU 37 CO -0.01 -0.41 -0.23 1.03 0.95 0.00 0.00 175.26 176.59 1nea s ARG 38 N -3.89 1.54 0.07 -4.83 3.00 -1.26 -2.36 118.95 111.22 1nea s ARG 38 Ca 0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 55.73 54.27 1nea s ARG 38 Cb 0.03 -1.85 0.01 0.00 0.00 0.00 0.00 34.95 33.14 1nea s ARG 38 CO -0.06 0.40 0.17 0.41 0.00 0.00 0.00 175.30 176.22 1nea n GLY 39 N 0.23 1.63 3.70 -3.53 0.00 -0.69 -4.85 105.19 101.68 1nea n GLY 39 Ca -0.12 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.05 -2.54 2.69 0.00 0.00 -0.51 -4.63 105.19 100.15 1nea n GLY 41 Ca -0.10 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 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 0.04 1.40 0.56 0.00 0.04 -1.26 -5.07 135.00 130.72 1nea s PRO 43 Ca 0.23 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 1nea s PRO 43 Cb 0.32 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 1nea s PRO 43 CO -0.06 -2.06 0.97 0.95 0.04 0.00 0.00 177.00 176.84 1nea s THR 44 N -3.16 4.69 0.31 1.26 -4.23 -1.26 -5.10 115.64 108.16 1nea s THR 44 Ca 0.63 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 62.07 1nea s THR 44 Cb -0.15 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 69.85 1nea s THR 44 CO 0.55 -0.94 0.23 1.33 -0.54 0.00 0.00 174.62 175.25 1nea n VAL 45 N -2.25 0.00 -3.22 2.29 0.24 -1.26 -5.16 118.33 108.97 1nea n VAL 45 Ca 0.05 -2.17 -0.34 0.00 -2.04 0.00 0.00 64.34 59.84 1nea n VAL 45 Cb 0.54 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 1nea n VAL 45 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1nea s LYS 46 N -3.25 4.02 -0.86 7.34 1.02 -1.26 -4.97 119.74 121.77 1nea s LYS 46 Ca 0.32 0.61 -0.25 0.00 0.02 0.00 0.00 55.97 56.67 1nea s LYS 46 Cb 0.02 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1nea s LYS 46 CO 0.23 0.30 1.98 -1.25 -0.92 0.00 0.00 175.35 175.69 1nea s PRO 47 N -2.53 2.47 0.00 -1.68 0.04 -1.26 -1.96 135.00 130.08 1nea s PRO 47 Ca 0.47 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1nea s PRO 47 Cb -0.13 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1nea s PRO 47 CO 0.19 -3.41 0.00 0.41 0.04 0.00 0.00 177.00 174.23 1nea n GLY 48 N 6.73 0.22 3.93 0.56 0.00 -1.26 -5.07 105.19 110.29 1nea n GLY 48 Ca 0.39 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 1nea n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nea s ILE 49 N 0.00 5.17 0.15 -0.61 1.01 -0.83 -4.85 121.20 121.24 1nea s ILE 49 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1nea s ILE 49 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1nea s ILE 49 CO 0.00 -0.23 -0.06 -0.75 0.00 0.00 0.00 174.94 173.91 1nea s LYS 50 N -3.44 2.24 0.09 2.79 2.20 -0.95 -4.79 119.74 117.87 1nea s LYS 50 Ca 0.39 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1nea s LYS 50 Cb -0.11 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1nea s LYS 50 CO 0.30 0.47 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.52 1nea s LEU 51 N -2.64 2.46 -0.16 5.43 2.96 -1.26 -2.37 118.68 123.10 1nea s LEU 51 Ca 0.25 -0.91 -0.18 0.00 -0.22 0.00 0.00 54.13 53.06 1nea s LEU 51 Cb -0.10 -0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.53 1nea s LEU 51 CO 0.16 -0.40 0.50 0.20 -1.32 0.00 0.00 176.35 175.49 1nea s ASN 52 N -2.74 -0.50 0.09 3.68 -0.87 -0.76 -5.00 114.94 108.83 1nea s ASN 52 Ca 0.08 0.91 -0.05 0.00 -1.57 0.00 0.00 52.86 52.22 1nea s ASN 52 Cb 0.02 0.93 -0.02 0.00 -0.02 0.00 0.00 41.25 42.16 1nea s ASN 52 CO -0.03 -0.23 0.11 0.00 -2.57 0.00 0.00 177.10 174.38 1nea n THR 55 N -0.27 0.00 -2.42 0.00 -2.24 -1.26 -2.44 114.28 105.65 1nea n THR 55 Ca -0.05 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1nea n THR 55 Cb 0.63 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 1nea n THR 55 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nea s THR 56 N -0.82 4.78 0.25 4.28 -4.23 -1.26 -4.95 115.64 113.68 1nea s THR 56 Ca 0.00 0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 60.84 1nea s THR 56 Cb 0.00 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.92 1nea s THR 56 CO 0.00 -0.85 1.34 -1.81 -0.54 0.00 0.00 174.62 172.76 1nea s ASP 57 N -3.80 6.81 -1.41 3.99 1.11 -1.26 -3.53 116.67 118.59 1nea s ASP 57 Ca 0.52 2.54 -0.07 0.00 0.18 0.00 0.00 52.55 55.72 1nea s ASP 57 Cb -0.10 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.27 1nea s ASP 57 CO 0.43 -0.56 0.33 0.29 1.18 0.00 0.00 175.17 176.84 1nea n LYS 58 N 2.07 -1.76 0.09 8.23 5.02 -1.26 -4.90 118.16 125.65 1nea n LYS 58 Ca 0.05 0.24 -0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1nea n LYS 58 Cb 0.42 -3.84 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 1nea n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nea n ASN 60 N -3.65 0.00 0.00 0.00 0.23 -1.26 -5.14 115.26 105.44 1nea n ASN 60 Ca -0.03 -1.05 0.13 0.00 -0.53 0.00 0.00 54.58 53.10 1nea n ASN 60 Cb 0.80 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 39.27 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13