#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mon s GLU 3 N 0.00 3.44 -0.18 5.56 2.02 -1.26 -5.08 118.70 123.20 3mon s GLU 3 Ca 0.00 0.11 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 3mon s GLU 3 Cb 0.00 -2.39 0.12 0.00 0.10 0.00 0.00 34.13 31.97 3mon s GLU 3 CO 0.00 -0.25 0.99 0.42 0.02 0.00 0.00 175.26 176.45 3mon s ILE 4 N -2.74 0.00 -0.03 -1.63 1.01 -1.26 -5.13 121.20 111.43 3mon s ILE 4 Ca 0.48 0.00 0.07 0.00 0.00 0.00 0.00 60.65 61.20 3mon s ILE 4 Cb -0.10 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 3mon s ILE 4 CO 0.44 0.00 0.13 0.29 0.00 0.00 0.00 174.94 175.80 3mon n LYS 5 N 0.99 0.97 -1.78 2.79 5.02 -1.26 -4.95 118.16 119.95 3mon n LYS 5 Ca -0.11 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3mon n LYS 5 Cb 0.57 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 3mon n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mon n GLY 6 N 2.20 0.66 3.29 0.72 0.00 -1.26 -2.87 105.19 107.93 3mon n GLY 6 Ca -0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 3mon n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mon s TYR 7 N -3.08 1.45 0.01 1.61 2.02 -0.67 -4.89 117.35 113.80 3mon s TYR 7 Ca 0.00 -1.22 -0.03 0.00 -0.37 0.00 0.00 57.07 55.45 3mon s TYR 7 Cb 0.00 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.73 3mon s TYR 7 CO 0.00 -0.39 0.05 -2.00 -1.57 0.00 0.00 175.55 171.64 3mon s GLU 8 N -4.06 0.38 -0.09 -0.62 2.12 -1.26 -2.17 118.70 113.00 3mon s GLU 8 Ca 0.38 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 3mon s GLU 8 Cb 0.08 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.64 3mon s GLU 8 CO 0.13 -0.08 -0.01 0.71 -0.54 0.00 0.00 175.26 175.47 3mon s TYR 9 N -1.34 0.86 -0.22 5.30 2.02 0.94 -4.97 117.35 119.94 3mon s TYR 9 Ca -0.15 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 3mon s TYR 9 Cb -0.08 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 3mon s TYR 9 CO 0.00 -0.39 0.07 -0.65 -1.57 0.00 0.00 175.55 173.01 3mon s GLN 10 N 1.91 3.83 0.03 -0.62 -0.21 -1.26 -0.56 119.66 122.78 3mon s GLN 10 Ca 0.04 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.03 3mon s GLN 10 Cb -0.13 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 3mon s GLN 10 CO -0.06 0.04 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.59 3mon s LEU 11 N 1.00 2.22 -0.40 2.90 1.02 -0.09 -4.96 118.68 120.37 3mon s LEU 11 Ca 0.04 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 53.64 3mon s LEU 11 Cb -0.14 -0.08 0.07 0.00 0.02 0.00 0.00 46.19 46.06 3mon s LEU 11 CO 0.03 -0.20 0.22 -0.31 0.02 0.00 0.00 176.35 176.11 3mon s TYR 12 N -1.23 3.34 -0.27 0.29 2.02 -1.26 -0.51 117.35 119.73 3mon s TYR 12 Ca -0.10 -1.56 -0.08 0.00 -0.37 0.00 0.00 57.07 54.97 3mon s TYR 12 Cb -0.09 -2.80 -0.02 0.00 -0.40 0.00 0.00 41.96 38.65 3mon s TYR 12 CO -0.00 -0.82 0.08 0.08 -1.57 0.00 0.00 175.55 173.32 3mon s VAL 13 N 1.40 4.27 -0.09 0.71 1.01 0.88 -4.89 120.40 123.69 3mon s VAL 13 Ca 0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3mon s VAL 13 Cb -0.22 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3mon s VAL 13 CO 0.02 0.25 1.21 -0.31 0.00 0.00 0.00 175.10 176.27 3mon s TYR 14 N 1.59 3.10 -0.06 5.22 2.02 -1.26 -0.81 117.35 127.15 3mon s TYR 14 Ca 0.05 1.17 -0.02 0.00 -0.37 0.00 0.00 57.07 57.90 3mon s TYR 14 Cb -0.16 -3.44 0.04 0.00 -0.40 0.00 0.00 41.96 38.00 3mon s TYR 14 CO 0.04 -1.39 0.13 0.00 -1.57 0.00 0.00 175.55 172.76 3mon s ALA 15 N 2.60 -0.19 -1.63 3.71 0.00 -0.74 -4.85 121.76 120.67 3mon s ALA 15 Ca 0.55 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 3mon s ALA 15 Cb -0.23 -0.48 0.13 0.00 0.00 0.00 0.00 23.12 22.53 3mon s ALA 15 CO 0.19 -0.21 0.89 0.43 0.00 0.00 0.00 175.76 177.06 3mon n SER 16 N 4.38 -4.08 -1.10 0.00 7.64 -1.26 -0.84 113.62 118.35 3mon n SER 16 Ca -0.23 -0.90 -0.14 0.00 1.01 0.00 0.00 58.87 58.60 3mon n SER 16 Cb 0.51 -3.30 -0.06 0.00 -1.01 0.00 0.00 64.21 60.35 3mon n SER 16 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3mon n ASP 17 N -2.74 -5.21 -4.83 6.43 8.00 -1.26 -5.00 116.55 111.95 3mon n ASP 17 Ca 0.07 0.36 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 3mon n ASP 17 Cb 0.50 -3.98 -0.04 0.00 -0.02 0.00 0.00 41.12 37.59 3mon n ASP 17 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mon s LYS 18 N -3.16 2.29 -0.14 -1.24 1.02 -0.02 -5.11 119.74 113.37 3mon s LYS 18 Ca 0.00 -1.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.06 3mon s LYS 18 Cb 0.00 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3mon s LYS 18 CO 0.00 -0.35 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.83 3mon s LEU 19 N -4.09 3.02 0.10 3.17 1.98 -1.26 -1.78 118.68 119.82 3mon s LEU 19 Ca 0.37 -0.21 0.06 0.00 -2.89 0.00 0.00 54.13 51.46 3mon s LEU 19 Cb 0.00 -1.71 -0.03 0.00 0.66 0.00 0.00 46.19 45.11 3mon s LEU 19 CO 0.21 0.17 -0.16 -0.36 -1.89 0.00 0.00 176.35 174.33 3mon s PHE 20 N 0.32 1.46 -0.16 5.38 0.08 0.01 -2.43 117.98 122.63 3mon s PHE 20 Ca -0.07 -0.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.46 3mon s PHE 20 Cb -0.15 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3mon s PHE 20 CO 0.04 0.14 -0.01 1.03 -0.10 0.00 0.00 175.22 176.32 3mon s ARG 21 N -2.14 3.76 -0.04 0.44 1.81 -0.83 -0.09 118.95 121.86 3mon s ARG 21 Ca 0.05 -0.46 0.04 0.00 -1.72 0.00 0.00 55.73 53.63 3mon s ARG 21 Cb -0.08 -3.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.41 3mon s ARG 21 CO 0.03 0.26 -0.15 0.00 -0.68 0.00 0.00 175.30 174.76 3mon s ALA 22 N 0.34 1.36 -0.13 2.13 0.00 0.34 -2.80 121.76 123.00 3mon s ALA 22 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3mon s ALA 22 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3mon s ALA 22 CO 0.02 0.23 -0.21 -0.51 0.00 0.00 0.00 175.76 175.29 3mon s ASP 23 N 0.13 3.26 0.02 0.00 1.01 -0.48 -0.91 116.67 119.71 3mon s ASP 23 Ca -0.05 -0.54 0.06 0.00 0.71 0.00 0.00 52.55 52.73 3mon s ASP 23 Cb -0.11 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 3mon s ASP 23 CO 0.02 0.12 -0.19 -0.63 0.21 0.00 0.00 175.17 174.70 3mon s ILE 24 N 0.61 1.49 0.43 0.77 1.01 0.28 -0.87 121.20 124.92 3mon s ILE 24 Ca -0.11 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.60 3mon s ILE 24 Cb -0.16 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3mon s ILE 24 CO 0.03 0.24 0.48 -0.94 0.00 0.00 0.00 174.94 174.76 3mon s SER 25 N -0.90 5.29 -0.25 3.58 1.04 -0.88 -0.04 113.70 121.54 3mon s SER 25 Ca 0.06 -0.63 -0.13 0.00 0.48 0.00 0.00 55.95 55.73 3mon s SER 25 Cb -0.08 -0.52 0.08 0.00 0.10 0.00 0.00 66.02 65.60 3mon s SER 25 CO 0.01 -0.76 0.60 -0.70 0.98 0.00 0.00 173.24 173.37 3mon s GLU 26 N -4.26 0.59 0.30 4.02 2.12 -0.92 -2.85 118.70 117.70 3mon s GLU 26 Ca 0.51 1.12 -0.29 0.00 0.36 0.00 0.00 54.97 56.67 3mon s GLU 26 Cb -0.06 0.17 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 3mon s GLU 26 CO 0.30 -0.16 1.14 0.34 -0.54 0.00 0.00 175.26 176.34 3mon s ASP 27 N 1.73 7.11 0.06 -1.70 -1.08 -0.19 -1.67 116.67 120.93 3mon s ASP 27 Ca -0.09 2.34 -0.18 0.00 -0.52 0.00 0.00 52.55 54.10 3mon s ASP 27 Cb -0.07 -2.63 -0.13 0.00 -1.46 0.00 0.00 42.92 38.64 3mon s ASP 27 CO -0.18 -0.26 1.36 0.22 0.52 0.00 0.00 175.17 176.84 3mon h TYR 28 N 3.60 0.58 0.08 -5.34 3.20 -1.87 -0.78 116.97 116.44 3mon h TYR 28 Ca -0.47 -0.18 -0.32 0.00 3.14 0.00 0.00 58.73 60.89 3mon h TYR 28 Cb 1.22 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3mon h TYR 28 CO 0.58 0.85 -1.77 0.87 -1.64 0.00 0.00 178.16 177.05 3mon h LYS 29 N 0.15 0.17 0.00 1.82 1.57 -1.94 -3.39 116.57 114.95 3mon h LYS 29 Ca 0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3mon h LYS 29 Cb 0.76 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3mon h LYS 29 CO 0.05 0.94 -0.93 0.25 -0.57 0.00 0.00 179.45 179.19 3mon n THR 30 N -3.32 0.07 -1.38 -0.16 -2.24 -1.26 -4.95 114.28 101.04 3mon n THR 30 Ca -0.23 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3mon n THR 30 Cb 1.05 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 3mon n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mon n ARG 31 N -1.73 -1.53 -2.38 -0.78 1.74 -0.30 -4.93 116.66 106.75 3mon n ARG 31 Ca 0.03 0.95 -0.43 0.00 -0.77 0.00 0.00 57.85 57.64 3mon n ARG 31 Cb 0.39 -5.31 -0.02 0.00 -1.02 0.00 0.00 32.46 26.50 3mon n ARG 31 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3mon s GLY 32 N -2.53 1.65 0.03 -0.13 0.00 -1.26 -4.49 107.32 100.59 3mon s GLY 32 Ca 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.23 3mon s GLY 32 CO 0.00 2.54 0.16 0.50 0.00 0.00 0.00 173.10 176.30 3mon s ARG 33 N 3.50 3.28 -0.03 2.90 0.52 -1.26 -1.02 118.95 126.83 3mon s ARG 33 Ca 0.57 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 3mon s ARG 33 Cb -0.23 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.30 3mon s ARG 33 CO 0.16 0.63 0.06 0.21 0.02 0.00 0.00 175.30 176.38 3mon s LYS 34 N -2.18 -0.04 -0.25 3.54 2.20 -1.13 -4.95 119.74 116.93 3mon s LYS 34 Ca 0.30 0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.90 3mon s LYS 34 Cb -0.13 -0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.84 3mon s LYS 34 CO 0.22 -0.23 1.71 -1.17 -0.36 0.00 0.00 175.35 175.52 3mon s LEU 35 N 1.49 3.76 -0.17 5.43 2.96 -1.26 -2.07 118.68 128.82 3mon s LEU 35 Ca -0.04 1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 55.20 3mon s LEU 35 Cb -0.13 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 3mon s LEU 35 CO -0.03 -1.43 0.36 -0.07 -1.32 0.00 0.00 176.35 173.86 3mon h LEU 36 N 12.45 0.00 -7.29 -0.68 3.38 -1.37 -3.49 115.31 118.30 3mon h LEU 36 Ca -0.34 -0.60 -0.10 0.00 0.09 0.00 0.00 57.88 56.93 3mon h LEU 36 Cb 1.16 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.71 3mon h LEU 36 CO 1.01 1.14 -0.11 -0.13 0.09 0.00 0.00 178.44 180.44 3mon s ARG 37 N -2.22 0.75 -0.29 1.13 0.52 -1.07 -5.00 118.95 112.77 3mon s ARG 37 Ca -0.21 0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3mon s ARG 37 Cb 0.02 0.35 0.20 0.00 0.52 0.00 0.00 34.95 36.03 3mon s ARG 37 CO 0.54 -0.19 0.62 0.12 0.02 0.00 0.00 175.30 176.40 3mon s PHE 38 N -0.87 -1.72 0.09 -0.53 2.19 -1.26 -1.38 117.98 114.51 3mon s PHE 38 Ca -0.09 1.20 0.04 0.00 0.33 0.00 0.00 56.93 58.41 3mon s PHE 38 Cb -0.03 0.37 -0.03 0.00 -1.31 0.00 0.00 43.02 42.01 3mon s PHE 38 CO 0.05 -0.99 -0.11 -0.80 1.83 0.00 0.00 175.22 175.20 3mon s ASN 39 N 2.85 1.55 0.00 6.13 0.02 -1.12 -5.00 114.94 119.37 3mon s ASN 39 Ca 0.13 -0.76 0.00 0.00 -1.02 0.00 0.00 52.86 51.21 3mon s ASN 39 Cb -0.11 -0.01 0.00 0.00 0.02 0.00 0.00 41.25 41.15 3mon s ASN 39 CO -0.24 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 177.28 3mon n GLY 40 N 0.74 -0.89 3.74 0.66 0.00 -1.26 -1.96 105.19 106.21 3mon n GLY 40 Ca -0.17 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 3mon n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mon s PRO 41 N -2.00 2.62 0.34 1.61 0.04 -1.26 -5.07 135.00 131.29 3mon s PRO 41 Ca 0.00 1.91 0.04 0.00 0.04 0.00 0.00 61.00 62.99 3mon s PRO 41 Cb 0.00 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 3mon s PRO 41 CO 0.00 -1.50 0.06 0.14 0.04 0.00 0.00 177.00 175.74 3mon s VAL 42 N -1.60 1.21 0.21 -0.36 -7.23 -1.02 -5.02 120.40 106.60 3mon s VAL 42 Ca 0.79 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 3mon s VAL 42 Cb -0.33 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.77 3mon s VAL 42 CO 0.38 0.00 0.58 -2.84 -0.31 0.00 0.00 175.10 172.91 3mon s PRO 43 N -3.87 3.91 0.29 4.82 0.02 -1.26 -4.67 135.00 134.25 3mon s PRO 43 Ca 0.35 0.43 -0.29 0.00 0.02 0.00 0.00 61.00 61.50 3mon s PRO 43 Cb 0.08 -2.73 -0.10 0.00 0.02 0.00 0.00 34.50 31.77 3mon s PRO 43 CO 0.15 0.36 1.38 -1.25 -0.33 0.00 0.00 177.00 177.31 3mon s PRO 44 N -2.49 4.30 0.00 5.54 0.04 -1.26 -5.10 135.00 136.03 3mon s PRO 44 Ca 0.45 2.27 0.31 0.00 0.04 0.00 0.00 61.00 64.06 3mon s PRO 44 Cb -0.13 -3.09 1.69 0.00 0.04 0.00 0.00 34.50 33.02 3mon s PRO 44 CO 0.20 -0.32 2.11 -0.35 0.04 0.00 0.00 177.00 178.68