#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 1.22 0.30 1.47 2.02 -1.26 -1.92 118.70 120.52 1nea s GLU 2 Ca 0.00 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 1nea s GLU 2 Cb 0.00 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.71 1nea s GLU 2 CO 0.00 0.34 0.35 0.00 0.02 0.00 0.00 175.26 175.97 1nea s HIS 4 N -3.53 3.48 -0.39 0.00 3.76 -1.26 -2.11 115.29 115.24 1nea s HIS 4 Ca 0.34 0.15 0.11 0.00 -0.15 0.00 0.00 55.06 55.51 1nea s HIS 4 Cb 0.02 -1.70 0.36 0.00 1.11 0.00 0.00 32.58 32.37 1nea s HIS 4 CO 0.19 0.44 0.94 0.27 -0.85 0.00 0.00 174.74 175.73 1nea n ASN 5 N -0.84 -0.32 -4.64 1.40 0.23 -0.93 -4.44 115.26 105.73 1nea n ASN 5 Ca -0.07 -3.13 -0.43 0.00 -0.53 0.00 0.00 54.58 50.42 1nea n ASN 5 Cb 0.55 0.34 -0.02 0.00 -2.08 0.00 0.00 39.78 38.56 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 -1.45 4.03 -0.18 -3.83 0.74 -1.26 -4.57 119.66 113.14 1nea s GLN 6 Ca 0.31 1.22 -0.13 0.00 0.05 0.00 0.00 55.36 56.81 1nea s GLN 6 Cb 0.35 -3.79 -0.05 0.00 1.10 0.00 0.00 33.01 30.62 1nea s GLN 6 CO -0.05 -0.96 0.25 -0.65 -0.55 0.00 0.00 175.29 173.33 1nea s GLN 7 N 3.83 4.21 0.00 1.67 -0.21 -1.26 -4.61 119.66 123.29 1nea s GLN 7 Ca 0.51 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1nea s GLN 7 Cb -0.15 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.41 1nea s GLN 7 CO 0.18 0.21 0.00 0.43 -2.12 0.00 0.00 175.29 173.99 1nea n SER 8 N 3.73 0.00 0.00 5.90 7.64 -1.26 -0.88 113.62 128.75 1nea n SER 8 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1nea n SER 8 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1nea n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1nea n SER 9 N 0.00 0.42 -4.92 6.43 2.88 -1.26 -5.08 113.62 112.09 1nea n SER 9 Ca 0.00 -1.12 -0.26 0.00 -1.33 0.00 0.00 58.87 56.16 1nea n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nea n SER 9 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1nea s GLN 10 N -0.12 3.43 0.91 -1.46 -0.21 -0.06 -5.05 119.66 117.10 1nea s GLN 10 Ca 0.00 -0.02 -0.11 0.00 0.02 0.00 0.00 55.36 55.25 1nea s GLN 10 Cb 0.00 -2.46 0.14 0.00 1.00 0.00 0.00 33.01 31.69 1nea s GLN 10 CO 0.00 -0.16 1.09 -1.25 -2.12 0.00 0.00 175.29 172.85 1nea s PRO 11 N -4.64 1.09 0.44 2.91 0.04 -1.26 -4.55 135.00 129.03 1nea s PRO 11 Ca 0.46 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 1nea s PRO 11 Cb -0.10 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1nea s PRO 11 CO 0.42 -2.42 1.26 -1.25 0.04 0.00 0.00 177.00 175.05 1nea s PRO 12 N -4.80 3.82 0.04 0.56 0.04 -1.26 -4.77 135.00 128.63 1nea s PRO 12 Ca 0.64 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 1nea s PRO 12 Cb -0.20 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1nea s PRO 12 CO 0.58 -0.58 -0.01 0.95 0.04 0.00 0.00 177.00 177.98 1nea s THR 13 N -1.35 0.18 0.22 1.26 -4.23 -1.26 -5.05 115.64 105.41 1nea s THR 13 Ca 0.60 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1nea s THR 13 Cb -0.35 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 1nea s THR 13 CO 0.44 -0.82 -0.08 0.42 -0.54 0.00 0.00 174.62 174.03 1nea s THR 14 N -3.14 1.49 0.12 3.99 -4.23 -1.26 -2.18 115.64 110.42 1nea s THR 14 Ca -0.00 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 1nea s THR 14 Cb 0.02 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1nea s THR 14 CO -0.07 -0.48 0.13 -0.54 -0.54 0.00 0.00 174.62 173.12 1nea s LYS 15 N -3.73 0.93 -0.09 3.99 -0.14 -0.90 -4.93 119.74 114.89 1nea s LYS 15 Ca 0.25 -1.25 0.04 0.00 -1.36 0.00 0.00 55.97 53.65 1nea s LYS 15 Cb 0.02 0.29 -0.00 0.00 -1.68 0.00 0.00 37.83 36.47 1nea s LYS 15 CO 0.08 -0.29 -0.23 -0.08 -0.76 0.00 0.00 175.35 174.07 1nea s THR 16 N -3.97 1.98 -0.39 2.17 -1.32 -1.26 -2.48 115.64 110.37 1nea s THR 16 Ca 0.16 -0.99 0.12 0.00 -1.21 0.00 0.00 61.69 59.77 1nea s THR 16 Cb 0.06 -1.71 0.35 0.00 -1.51 0.00 0.00 72.50 69.69 1nea s THR 16 CO -0.03 0.55 0.75 0.00 -2.21 0.00 0.00 174.62 173.68 1nea s PRO 18 N -2.51 1.95 0.00 0.00 0.04 -1.26 -2.16 135.00 131.06 1nea s PRO 18 Ca 0.41 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1nea s PRO 18 Cb 0.35 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1nea s PRO 18 CO -0.08 -3.89 0.00 0.41 0.04 0.00 0.00 177.00 173.48 1nea n GLY 19 N 6.56 0.77 3.90 0.56 0.00 -1.26 -4.94 105.19 110.78 1nea n GLY 19 Ca 0.41 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 3.56 -0.22 1.61 8.01 -0.92 -5.01 118.70 125.74 1nea s GLU 20 Ca 0.00 0.21 0.02 0.00 0.01 0.00 0.00 54.97 55.20 1nea s GLU 20 Cb 0.00 -2.39 -0.14 0.00 -4.31 0.00 0.00 34.13 27.29 1nea s GLU 20 CO 0.00 -0.17 -0.19 0.25 0.01 0.00 0.00 175.26 175.16 1nea n THR 21 N -2.13 1.24 -3.91 3.63 -2.24 -1.26 -3.61 114.28 105.99 1nea n THR 21 Ca 0.01 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 1nea n THR 21 Cb 0.55 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 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 -6.09 5.03 0.13 3.42 0.01 -1.26 -4.82 114.94 111.35 1nea s ASN 22 Ca -0.29 -0.63 0.11 0.00 -0.71 0.00 0.00 52.86 51.34 1nea s ASN 22 Cb 0.07 -0.85 -0.04 0.00 0.41 0.00 0.00 41.25 40.85 1nea s ASN 22 CO 0.50 -0.35 -0.27 0.00 -1.51 0.00 0.00 177.10 175.47 1nea s TYR 24 N -1.06 1.45 -0.01 0.00 1.13 -0.66 -2.40 117.35 115.80 1nea s TYR 24 Ca 0.13 -0.89 0.02 0.00 -1.41 0.00 0.00 57.07 54.93 1nea s TYR 24 Cb -0.10 -0.82 -0.00 0.00 -1.10 0.00 0.00 41.96 39.94 1nea s TYR 24 CO 0.06 -0.02 -0.07 0.15 -2.51 0.00 0.00 175.55 173.16 1nea s LYS 25 N -3.84 0.63 0.02 -3.49 1.02 -0.93 -2.23 119.74 110.92 1nea s LYS 25 Ca 0.25 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 1nea s LYS 25 Cb 0.05 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1nea s LYS 25 CO 0.06 0.14 -0.02 -1.59 -0.92 0.00 0.00 175.35 173.02 1nea s LYS 26 N -0.08 0.33 0.02 1.68 -2.85 -0.96 -2.13 119.74 115.74 1nea s LYS 26 Ca 0.02 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 1nea s LYS 26 Cb -0.04 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.84 1nea s LYS 26 CO -0.00 -0.06 -0.09 0.08 0.10 0.00 0.00 175.35 175.39 1nea s VAL 27 N -1.52 0.65 0.06 1.79 1.01 -0.99 -2.52 120.40 118.88 1nea s VAL 27 Ca -0.15 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1nea s VAL 27 Cb -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1nea s VAL 27 CO -0.01 -0.03 0.30 -1.66 0.00 0.00 0.00 175.10 173.70 1nea s TRP 28 N -0.63 -0.08 0.22 5.22 -2.14 -1.02 -2.38 118.94 118.13 1nea s TRP 28 Ca -0.01 -0.12 0.09 0.00 2.66 0.00 0.00 56.10 58.71 1nea s TRP 28 Cb -0.06 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 1nea s TRP 28 CO 0.00 -0.53 -0.04 1.03 -2.66 0.00 0.00 176.95 174.75 1nea s ARG 29 N -2.89 2.21 0.13 3.25 0.52 -1.26 -2.23 118.95 118.69 1nea s ARG 29 Ca -0.03 -1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1nea s ARG 29 Cb 0.00 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1nea s ARG 29 CO -0.05 0.41 0.17 -3.47 0.02 0.00 0.00 175.30 172.37 1nea n ASP 30 N -0.38 -0.47 -0.07 0.23 2.03 -0.15 -4.99 116.55 112.75 1nea n ASP 30 Ca -0.09 -1.71 -0.02 0.00 0.52 0.00 0.00 54.79 53.49 1nea n ASP 30 Cb 0.57 0.89 0.22 0.00 -0.72 0.00 0.00 41.12 42.08 1nea n ASP 30 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1nea h HIS 31 N 1.38 0.72 -0.08 -0.67 6.17 -2.02 -3.17 115.15 117.47 1nea h HIS 31 Ca -0.10 -0.08 -0.13 0.00 0.71 0.00 0.00 60.37 60.77 1nea h HIS 31 Cb 0.44 -0.21 0.01 0.00 2.52 0.00 0.00 27.41 30.17 1nea h HIS 31 CO 0.00 0.67 -0.44 -0.09 0.71 0.00 0.00 177.93 178.77 1nea h ARG 32 N 0.66 0.45 0.00 5.26 1.12 -2.03 -3.50 114.38 116.34 1nea h ARG 32 Ca 0.14 -0.37 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1nea h ARG 32 Cb 0.36 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1nea h ARG 32 CO 0.01 1.01 0.00 0.41 -3.11 0.00 0.00 179.97 178.29 1nea n GLY 33 N 0.72 -0.54 3.32 2.80 0.00 -1.20 -5.16 105.19 105.14 1nea n GLY 33 Ca -0.08 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.00 0.71 0.05 2.61 -1.32 -1.26 -0.98 115.64 115.45 1nea s THR 34 Ca 0.00 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 1nea s THR 34 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 1nea s THR 34 CO 0.00 -0.11 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.66 1nea s ILE 35 N -3.64 0.20 -0.01 5.08 1.01 -0.95 -4.97 121.20 117.92 1nea s ILE 35 Ca 0.34 -1.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1nea s ILE 35 Cb 0.07 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1nea s ILE 35 CO 0.12 -0.92 0.07 0.27 0.00 0.00 0.00 174.94 174.47 1nea s ILE 36 N -3.70 0.06 0.22 2.92 -0.00 -1.26 -2.44 121.20 117.00 1nea s ILE 36 Ca 0.05 -0.48 -0.14 0.00 -0.00 0.00 0.00 60.65 60.07 1nea s ILE 36 Cb 0.06 -0.26 0.01 0.00 -0.00 0.00 0.00 42.46 42.27 1nea s ILE 36 CO -0.09 -0.27 0.48 -1.83 -0.00 0.00 0.00 174.94 173.23 1nea s GLU 37 N -0.84 1.46 0.20 0.37 -1.05 -1.05 -4.21 118.70 113.58 1nea s GLU 37 Ca -0.09 -1.11 0.05 0.00 -0.15 0.00 0.00 54.97 53.67 1nea s GLU 37 Cb -0.06 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1nea s GLU 37 CO 0.00 -0.61 -0.09 1.03 0.95 0.00 0.00 175.26 176.55 1nea s ARG 38 N -3.96 1.27 0.01 -4.83 0.52 -1.26 -2.27 118.95 108.42 1nea s ARG 38 Ca 0.17 -1.59 -0.03 0.00 -0.52 0.00 0.00 55.73 53.76 1nea s ARG 38 Cb -0.01 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.64 1nea s ARG 38 CO 0.04 0.06 0.15 0.41 0.02 0.00 0.00 175.30 175.98 1nea n GLY 39 N -0.35 0.97 3.48 -3.53 0.00 -0.94 -4.87 105.19 99.94 1nea n GLY 39 Ca -0.08 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 3.62 0.48 2.76 0.00 0.00 -0.06 -4.87 105.19 107.12 1nea n GLY 41 Ca -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 1nea n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nea n PRO 43 N 2.52 -3.93 -1.18 0.00 -0.02 -1.26 -5.05 135.00 126.07 1nea n PRO 43 Ca 0.15 -1.23 -0.31 0.00 -2.02 0.00 0.00 63.50 60.09 1nea n PRO 43 Cb 0.58 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.69 1nea n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nea s THR 44 N -2.07 3.02 0.38 3.45 -4.23 -1.26 -5.08 115.64 109.85 1nea s THR 44 Ca 0.55 0.35 0.08 0.00 -1.18 0.00 0.00 61.69 61.48 1nea s THR 44 Cb -0.08 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1nea s THR 44 CO 0.45 -0.42 0.11 -0.69 -0.54 0.00 0.00 174.62 173.53 1nea s VAL 45 N -2.78 2.52 -0.25 2.29 1.01 -1.26 -5.05 120.40 116.88 1nea s VAL 45 Ca 0.63 -1.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 1nea s VAL 45 Cb -0.19 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.34 1nea s VAL 45 CO 0.55 -0.10 0.79 -0.54 0.00 0.00 0.00 175.10 175.81 1nea s LYS 46 N -3.82 0.78 -0.73 2.72 1.02 -1.26 -5.08 119.74 113.36 1nea s LYS 46 Ca 0.38 0.82 -0.26 0.00 0.02 0.00 0.00 55.97 56.93 1nea s LYS 46 Cb 0.02 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.68 1nea s LYS 46 CO 0.21 -0.12 1.89 -1.25 -0.92 0.00 0.00 175.35 175.16 1nea s PRO 47 N 0.15 2.61 0.00 -1.68 0.04 -1.26 -2.14 135.00 132.72 1nea s PRO 47 Ca -0.00 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1nea s PRO 47 Cb -0.04 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1nea s PRO 47 CO 0.00 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1nea n GLY 48 N 6.18 0.26 3.68 0.56 0.00 -1.26 -5.12 105.19 109.49 1nea n GLY 48 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 2.88 0.02 -0.61 1.01 -0.91 -4.62 121.20 118.97 1nea s ILE 49 Ca 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 60.65 58.87 1nea s ILE 49 Cb 0.00 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1nea s ILE 49 CO 0.00 -0.21 -0.19 -0.54 0.00 0.00 0.00 174.94 174.01 1nea s LYS 50 N -3.77 1.37 0.05 2.79 1.02 -1.00 -4.67 119.74 115.53 1nea s LYS 50 Ca 0.36 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 1nea s LYS 50 Cb -0.02 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 1nea s LYS 50 CO 0.21 0.37 0.09 -1.17 -0.92 0.00 0.00 175.35 173.92 1nea s LEU 51 N -0.84 1.87 -0.06 3.17 0.20 -1.26 -2.35 118.68 119.42 1nea s LEU 51 Ca 0.06 -0.66 -0.09 0.00 0.69 0.00 0.00 54.13 54.14 1nea s LEU 51 Cb -0.08 0.60 0.02 0.00 -0.43 0.00 0.00 46.19 46.30 1nea s LEU 51 CO 0.01 -0.58 0.22 0.20 -0.29 0.00 0.00 176.35 175.91 1nea s ASN 52 N -2.45 -0.18 0.06 3.68 -0.87 -0.91 -5.02 114.94 109.24 1nea s ASN 52 Ca -0.00 0.29 0.01 0.00 -1.57 0.00 0.00 52.86 51.58 1nea s ASN 52 Cb 0.02 0.40 -0.03 0.00 -0.02 0.00 0.00 41.25 41.62 1nea s ASN 52 CO -0.07 -0.18 -0.05 0.00 -2.57 0.00 0.00 177.10 174.22 1nea n THR 55 N -0.21 0.00 -2.41 0.00 -2.24 -1.26 -2.42 114.28 105.74 1nea n THR 55 Ca -0.06 -0.36 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 1nea n THR 55 Cb 0.63 0.88 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.47 2.91 0.37 4.28 -4.23 -1.26 -4.94 115.64 111.29 1nea s THR 56 Ca 0.01 -0.28 -0.27 0.00 -1.18 0.00 0.00 61.69 59.96 1nea s THR 56 Cb 0.02 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1nea s THR 56 CO 0.12 -0.17 1.24 -1.81 -0.54 0.00 0.00 174.62 173.46 1nea s ASP 57 N -4.41 6.63 -1.53 3.99 1.11 -1.26 -3.66 116.67 117.54 1nea s ASP 57 Ca 0.57 2.52 -0.02 0.00 0.18 0.00 0.00 52.55 55.80 1nea s ASP 57 Cb -0.11 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.27 1nea s ASP 57 CO 0.43 -0.62 0.04 0.29 1.18 0.00 0.00 175.17 176.49 1nea n LYS 58 N 0.43 -0.93 0.05 8.23 5.02 -1.26 -4.86 118.16 124.84 1nea n LYS 58 Ca 0.02 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 1nea n LYS 58 Cb 0.44 -3.55 -0.13 0.00 -0.02 0.00 0.00 35.03 31.78 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 -3.31 5.48 0.00 0.00 6.94 -1.26 -5.12 115.26 117.99 1nea n ASN 60 Ca -0.04 -3.28 0.15 0.00 -0.02 0.00 0.00 54.58 51.38 1nea n ASN 60 Cb 0.97 -0.90 0.87 0.00 -2.36 0.00 0.00 39.78 38.37 1nea n ASN 60 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03