#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fas s MET 2 N 0.00 4.36 0.13 -2.82 1.00 -1.26 -1.21 119.30 119.50 1fas s MET 2 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 55.69 56.58 1fas s MET 2 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 34.83 31.45 1fas s MET 2 CO 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 175.02 175.25 1fas s TYR 4 N -2.26 2.78 0.00 0.00 2.02 -1.26 -1.14 117.35 117.49 1fas s TYR 4 Ca 0.10 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 1fas s TYR 4 Cb -0.04 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 1fas s TYR 4 CO 0.03 -1.40 0.73 0.45 -1.57 0.00 0.00 175.55 173.79 1fas n SER 5 N -1.07 1.35 -4.31 2.29 2.88 -1.26 -3.49 113.62 110.00 1fas n SER 5 Ca 0.10 -1.52 -0.23 0.00 -1.33 0.00 0.00 58.87 55.89 1fas n SER 5 Cb 0.51 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 1fas n SER 5 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1fas s HIS 6 N -0.52 1.84 -0.48 0.66 3.76 -1.26 -4.55 115.29 114.74 1fas s HIS 6 Ca 0.00 -1.12 0.25 0.00 -0.15 0.00 0.00 55.06 54.05 1fas s HIS 6 Cb 0.00 -1.20 0.66 0.00 1.11 0.00 0.00 32.58 33.16 1fas s HIS 6 CO 0.00 -0.15 1.72 1.79 -0.85 0.00 0.00 174.74 177.25 1fas h THR 7 N 1.99 0.00 -2.92 1.30 1.35 -1.91 -3.37 112.91 109.36 1fas h THR 7 Ca -0.38 -0.71 -0.61 0.00 -0.55 0.00 0.00 66.41 64.16 1fas h THR 7 Cb 1.26 1.69 -0.12 0.00 -1.73 0.00 0.00 68.15 69.24 1fas h THR 7 CO 0.63 0.00 -0.69 0.42 -0.25 0.00 0.00 175.52 175.64 1fas s THR 8 N -3.23 3.46 -1.66 6.82 -4.23 -1.26 -4.88 115.64 110.66 1fas s THR 8 Ca 0.07 -1.55 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 1fas s THR 8 Cb 0.08 -2.73 0.52 0.00 1.34 0.00 0.00 72.50 71.72 1fas s THR 8 CO 0.61 -0.12 1.44 0.35 -0.54 0.00 0.00 174.62 176.36 1fas n THR 9 N -0.06 0.96 -0.09 3.99 -2.24 -1.26 -4.64 114.28 110.94 1fas n THR 9 Ca -0.10 -0.98 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 1fas n THR 9 Cb 0.55 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 1fas n THR 9 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fas h SER 10 N 3.57 0.78 -3.65 3.42 0.02 -1.98 -3.45 113.55 112.26 1fas h SER 10 Ca 0.00 -0.48 -0.51 0.00 -0.84 0.00 0.00 61.79 59.96 1fas h SER 10 Cb 0.90 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1fas h SER 10 CO 0.00 1.10 0.44 -0.13 -1.14 0.00 0.00 176.83 177.10 1fas s ARG 11 N -4.33 4.66 -0.59 3.45 0.52 -1.26 -4.92 118.95 116.49 1fas s ARG 11 Ca -0.12 1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 56.69 1fas s ARG 11 Cb 0.09 -3.27 -0.15 0.00 0.52 0.00 0.00 34.95 32.14 1fas s ARG 11 CO 0.84 0.20 2.81 0.00 0.02 0.00 0.00 175.30 179.17 1fas n ALA 12 N 2.00 5.75 -3.56 2.13 0.00 -1.26 -4.80 120.51 120.77 1fas n ALA 12 Ca 0.01 -2.08 -0.15 0.00 0.00 0.00 0.00 53.44 51.22 1fas n ALA 12 Cb 0.46 -2.71 -0.16 0.00 0.00 0.00 0.00 19.45 17.04 1fas n ALA 12 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1fas s ILE 13 N 2.00 -0.02 0.28 0.00 2.07 -1.26 -5.16 121.20 119.11 1fas s ILE 13 Ca 0.55 0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.98 1fas s ILE 13 Cb 0.21 -0.09 -0.06 0.00 0.13 0.00 0.00 42.46 42.65 1fas s ILE 13 CO -0.02 0.08 0.03 -0.76 -1.91 0.00 0.00 174.94 172.36 1fas s LEU 14 N 0.83 2.15 -0.05 8.50 1.43 -1.26 -4.41 118.68 125.87 1fas s LEU 14 Ca -0.07 -1.31 0.05 0.00 -1.03 0.00 0.00 54.13 51.78 1fas s LEU 14 Cb -0.10 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.79 1fas s LEU 14 CO -0.02 -0.56 -0.22 0.28 0.23 0.00 0.00 176.35 176.05 1fas s THR 15 N -3.37 1.80 -0.55 5.49 -1.32 -0.29 -4.92 115.64 112.49 1fas s THR 15 Ca 0.33 -0.93 -0.19 0.00 -1.21 0.00 0.00 61.69 59.70 1fas s THR 15 Cb 0.07 -1.52 0.08 0.00 -1.51 0.00 0.00 72.50 69.62 1fas s THR 15 CO 0.13 0.51 0.65 0.21 -2.21 0.00 0.00 174.62 173.91 1fas s ASN 16 N -0.12 6.20 0.00 8.08 3.84 -1.26 -0.73 114.94 130.95 1fas s ASN 16 Ca -0.03 -1.19 0.26 0.00 0.21 0.00 0.00 52.86 52.12 1fas s ASN 16 Cb -0.12 -2.29 1.30 0.00 -0.55 0.00 0.00 41.25 39.59 1fas s ASN 16 CO 0.03 -0.99 1.88 0.00 -2.79 0.00 0.00 177.10 175.23 1fas n GLY 18 N 0.95 3.03 0.16 0.00 0.00 -1.24 -2.34 105.19 105.76 1fas n GLY 18 Ca 0.12 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1fas n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fas n GLU 19 N 13.36 0.99 -2.86 1.61 -0.58 -1.26 0.65 120.64 132.55 1fas n GLU 19 Ca 0.00 -0.32 -0.27 0.00 -0.42 0.00 0.00 57.16 56.15 1fas n GLU 19 Cb 0.00 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.37 1fas n GLU 19 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1fas s ASN 20 N -2.23 6.30 0.84 1.62 3.84 -0.99 -4.86 114.94 119.46 1fas s ASN 20 Ca 0.37 0.82 -0.12 0.00 0.21 0.00 0.00 52.86 54.14 1fas s ASN 20 Cb 0.21 -2.20 0.09 0.00 -0.55 0.00 0.00 41.25 38.81 1fas s ASN 20 CO 0.41 -0.48 1.11 -0.94 -2.79 0.00 0.00 177.10 174.41 1fas s SER 21 N -3.97 4.13 0.14 -4.21 1.04 -1.26 -4.01 113.70 105.56 1fas s SER 21 Ca 0.46 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.99 1fas s SER 21 Cb -0.10 -1.86 -0.06 0.00 0.10 0.00 0.00 66.02 64.10 1fas s SER 21 CO 0.41 -2.18 0.44 0.00 0.98 0.00 0.00 173.24 172.89 1fas s TYR 23 N -1.60 1.79 -0.09 0.00 -0.85 0.07 -1.73 117.35 114.95 1fas s TYR 23 Ca 0.40 -0.53 -0.01 0.00 -0.52 0.00 0.00 57.07 56.40 1fas s TYR 23 Cb -0.13 -0.82 0.03 0.00 0.38 0.00 0.00 41.96 41.42 1fas s TYR 23 CO 0.21 0.41 -0.02 0.50 -1.52 0.00 0.00 175.55 175.13 1fas s ARG 24 N -3.59 0.89 -0.04 -3.49 3.52 -0.06 -2.53 118.95 113.64 1fas s ARG 24 Ca 0.23 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1fas s ARG 24 Cb -0.02 -1.19 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 1fas s ARG 24 CO 0.08 -0.30 -0.11 -1.59 -0.81 0.00 0.00 175.30 172.57 1fas s LYS 25 N 1.89 2.56 0.16 5.12 -2.85 -0.00 -1.30 119.74 125.32 1fas s LYS 25 Ca 0.05 -0.67 -0.10 0.00 -1.00 0.00 0.00 55.97 54.25 1fas s LYS 25 Cb -0.12 -2.45 -0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1fas s LYS 25 CO -0.06 0.63 0.30 -1.54 0.10 0.00 0.00 175.35 174.78 1fas s SER 26 N -0.88 0.01 0.13 0.03 1.04 -0.38 -0.51 113.70 113.14 1fas s SER 26 Ca 0.13 -0.80 -0.31 0.00 0.48 0.00 0.00 55.95 55.44 1fas s SER 26 Cb -0.11 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1fas s SER 26 CO 0.02 -0.90 1.66 -0.13 0.98 0.00 0.00 173.24 174.87 1fas s ARG 27 N -3.95 4.19 0.28 4.02 0.52 -0.63 -0.35 118.95 123.04 1fas s ARG 27 Ca 0.15 2.41 -0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1fas s ARG 27 Cb 0.03 -3.38 0.42 0.00 0.52 0.00 0.00 34.95 32.53 1fas s ARG 27 CO -0.01 -0.71 1.81 -0.09 0.02 0.00 0.00 175.30 176.31 1fas h ARG 28 N 7.66 0.74 -6.07 3.54 2.43 -1.15 -3.41 114.38 118.13 1fas h ARG 28 Ca -0.43 -0.17 -0.65 0.00 -0.81 0.00 0.00 59.98 57.91 1fas h ARG 28 Cb 1.20 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.55 1fas h ARG 28 CO 0.93 0.72 -0.59 -1.01 -1.51 0.00 0.00 179.97 178.51 1fas s HIS 29 N -5.04 3.23 0.56 2.20 3.76 -1.26 -4.93 115.29 113.80 1fas s HIS 29 Ca -0.09 0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 1fas s HIS 29 Cb 0.15 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 1fas s HIS 29 CO 0.80 0.53 1.31 -2.30 -0.85 0.00 0.00 174.74 174.22 1fas n PRO 30 N 1.07 1.54 -2.15 8.40 -0.02 -1.26 -3.73 135.00 138.83 1fas n PRO 30 Ca -0.12 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1fas n PRO 30 Cb 0.52 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1fas n PRO 30 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1fas s PRO 31 N -2.91 4.28 -1.52 0.52 0.04 -1.26 -5.06 135.00 129.09 1fas s PRO 31 Ca 0.73 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 1fas s PRO 31 Cb -0.42 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 1fas s PRO 31 CO 0.48 -0.55 2.57 1.63 0.04 0.00 0.00 177.00 181.17 1fas n LYS 32 N 4.84 3.46 -2.32 4.56 5.02 -1.24 -4.73 118.16 127.75 1fas n LYS 32 Ca 0.13 -2.55 -0.39 0.00 -2.02 0.00 0.00 58.31 53.47 1fas n LYS 32 Cb 0.43 -2.97 -0.03 0.00 -0.02 0.00 0.00 35.03 32.43 1fas n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fas s MET 33 N 2.13 4.26 0.10 1.97 0.23 -1.26 -4.61 119.30 122.12 1fas s MET 33 Ca 0.58 1.88 -0.30 0.00 -1.03 0.00 0.00 55.69 56.81 1fas s MET 33 Cb 0.16 -2.87 -0.06 0.00 -1.53 0.00 0.00 34.83 30.53 1fas s MET 33 CO -0.07 -0.15 1.20 0.08 -2.03 0.00 0.00 175.02 174.05 1fas s VAL 34 N -1.32 3.88 -0.37 5.16 1.01 -1.26 -1.60 120.40 125.90 1fas s VAL 34 Ca 0.52 1.42 0.10 0.00 0.00 0.00 0.00 61.98 64.03 1fas s VAL 34 Cb -0.32 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1fas s VAL 34 CO 0.41 0.15 0.38 0.18 0.00 0.00 0.00 175.10 176.23 1fas n LEU 35 N 3.45 0.37 0.00 3.92 4.77 0.34 -4.95 117.00 124.90 1fas n LEU 35 Ca 0.07 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1fas n LEU 35 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1fas n LEU 35 CO 0.55 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1fas n GLY 36 N 1.39 1.51 3.13 -0.72 0.00 -1.11 -4.91 105.19 104.49 1fas n GLY 36 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1fas n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fas s ARG 37 N -2.00 0.46 0.00 1.61 0.52 -1.26 -0.82 118.95 117.46 1fas s ARG 37 Ca 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1fas s ARG 37 Cb 0.00 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.67 1fas s ARG 37 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1fas n GLY 38 N 1.81 -0.64 3.87 -3.53 0.00 -1.05 -4.26 105.19 101.40 1fas n GLY 38 Ca -0.20 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1fas n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fas n GLY 40 N 1.18 -1.09 2.69 0.00 0.00 0.55 -4.81 105.19 103.72 1fas n GLY 40 Ca -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 1fas n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fas s PRO 42 N 0.59 1.71 0.23 0.00 0.04 -1.26 -4.98 135.00 131.33 1fas s PRO 42 Ca 0.32 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1fas s PRO 42 Cb 0.13 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 1fas s PRO 42 CO -0.16 -2.13 1.19 -1.25 0.04 0.00 0.00 177.00 174.69 1fas s PRO 43 N -4.34 4.51 0.83 0.56 0.04 -1.26 -4.86 135.00 130.48 1fas s PRO 43 Ca 0.69 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 1fas s PRO 43 Cb -0.25 -3.20 0.17 0.00 0.04 0.00 0.00 34.50 31.26 1fas s PRO 43 CO 0.52 -0.03 1.14 0.20 0.04 0.00 0.00 177.00 178.87 1fas s GLY 44 N -0.19 1.77 0.00 0.56 0.00 -1.26 -4.95 107.32 103.26 1fas s GLY 44 Ca 0.50 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1fas s GLY 44 CO 0.40 -0.96 0.00 2.09 0.00 0.00 0.00 173.10 174.62 1fas n ASP 45 N -3.23 0.00 0.12 1.64 5.68 -0.38 -4.96 116.55 115.42 1fas n ASP 45 Ca 0.16 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.47 1fas n ASP 45 Cb 0.60 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.92 1fas n ASP 45 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1fas h ASP 46 N 0.00 0.20 0.16 -1.12 2.03 -2.03 -3.17 116.42 112.48 1fas h ASP 46 Ca 0.00 -0.06 -0.31 0.00 -0.73 0.00 0.00 57.03 55.94 1fas h ASP 46 Cb 0.00 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.45 1fas h ASP 46 CO 0.00 0.46 -1.53 0.22 -1.03 0.00 0.00 179.24 177.35 1fas h TYR 47 N 0.18 0.60 -3.33 4.15 3.20 -1.96 -3.44 116.97 116.37 1fas h TYR 47 Ca 0.03 -0.44 -0.65 0.00 3.14 0.00 0.00 58.73 60.81 1fas h TYR 47 Cb 0.55 -0.02 -0.25 0.00 1.54 0.00 0.00 36.73 38.54 1fas h TYR 47 CO 0.01 1.60 -0.72 -1.17 -1.64 0.00 0.00 178.16 176.24 1fas s LEU 48 N -7.46 2.96 -0.17 2.82 2.96 -1.20 -0.63 118.68 117.97 1fas s LEU 48 Ca -0.17 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1fas s LEU 48 Cb 0.05 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1fas s LEU 48 CO 0.82 0.13 0.13 -0.70 -1.32 0.00 0.00 176.35 175.41 1fas s GLU 49 N 0.58 3.90 -0.16 1.98 2.12 0.53 -1.25 118.70 126.40 1fas s GLU 49 Ca -0.05 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 1fas s GLU 49 Cb -0.15 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.96 1fas s GLU 49 CO 0.03 0.47 -0.03 0.08 -0.54 0.00 0.00 175.26 175.27 1fas s VAL 50 N -0.15 0.93 -0.07 3.70 1.01 -1.26 -1.24 120.40 123.32 1fas s VAL 50 Ca 0.10 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1fas s VAL 50 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1fas s VAL 50 CO 0.00 0.07 0.18 -0.54 0.00 0.00 0.00 175.10 174.81 1fas s LYS 51 N 1.71 3.47 -0.03 2.72 -0.14 -0.42 -4.90 119.74 122.15 1fas s LYS 51 Ca 0.01 -0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.48 1fas s LYS 51 Cb -0.15 -3.15 0.01 0.00 -1.68 0.00 0.00 37.83 32.85 1fas s LYS 51 CO -0.07 0.73 -0.08 0.00 -0.76 0.00 0.00 175.35 175.17 1fas n THR 54 N 1.44 0.00 -3.76 0.00 -2.24 -1.26 -1.07 114.28 107.39 1fas n THR 54 Ca -0.23 -0.28 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 1fas n THR 54 Cb 0.56 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 1fas n THR 54 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fas s SER 55 N -1.93 -0.32 1.08 3.42 1.04 -1.26 -4.66 113.70 111.06 1fas s SER 55 Ca 0.01 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 1fas s SER 55 Cb 0.04 0.70 0.09 0.00 0.10 0.00 0.00 66.02 66.95 1fas s SER 55 CO 0.24 -1.26 0.29 -0.81 0.98 0.00 0.00 173.24 172.68 1fas n PRO 56 N -0.44 -1.79 -1.85 4.02 -0.04 -1.26 -4.82 135.00 128.82 1fas n PRO 56 Ca -0.07 -0.47 -0.38 0.00 -0.04 0.00 0.00 63.50 62.54 1fas n PRO 56 Cb 0.60 -0.47 0.04 0.00 -0.04 0.00 0.00 33.50 33.64 1fas n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fas s ASP 57 N -2.32 5.26 -1.69 3.54 1.01 -1.26 -2.53 116.67 118.69 1fas s ASP 57 Ca 0.20 2.66 0.00 0.00 0.71 0.00 0.00 52.55 56.12 1fas s ASP 57 Cb -0.02 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1fas s ASP 57 CO 0.15 -1.56 0.00 0.29 0.21 0.00 0.00 175.17 174.26 1fas n LYS 58 N -1.14 -1.35 0.13 8.23 5.02 0.34 -4.88 118.16 124.51 1fas n LYS 58 Ca 0.11 0.98 0.11 0.00 -2.02 0.00 0.00 58.31 57.49 1fas n LYS 58 Cb 0.46 -5.38 0.51 0.00 -0.02 0.00 0.00 35.03 30.60 1fas n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fas n ASN 60 N -2.21 3.41 0.00 0.00 6.94 -1.26 -4.95 115.26 117.19 1fas n ASN 60 Ca 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.00 1fas n ASN 60 Cb 0.16 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1fas n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23