#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLY 2 N 0.00 2.36 0.00 3.41 0.00 -1.26 -4.95 107.32 106.88 3cma s GLY 2 Ca 0.00 0.53 0.30 0.00 0.00 0.00 0.00 44.72 45.55 3cma s GLY 2 CO 0.00 0.86 1.97 0.00 0.00 0.00 0.00 173.10 175.92 3cma n ALA 3 N -1.41 2.56 -1.39 3.20 0.00 -1.26 -3.13 120.51 119.08 3cma n ALA 3 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3cma n ALA 3 Cb 0.53 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3cma n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 4 N 1.33 0.69 0.21 0.00 0.00 -1.26 -4.56 105.19 101.60 3cma n GLY 4 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 3cma n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cma h THR 5 N 0.00 0.64 -0.84 2.61 2.02 -2.00 -1.90 112.91 113.45 3cma h THR 5 Ca 0.00 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.18 3cma h THR 5 Cb 0.00 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 3cma h THR 5 CO 0.00 0.03 0.55 1.55 0.37 0.00 0.00 175.52 178.02 3cma h PRO 6 N 0.19 0.91 -0.00 6.66 0.13 -1.90 -1.39 132.00 136.60 3cma h PRO 6 Ca 0.27 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3cma h PRO 6 Cb 0.40 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.32 3cma h PRO 6 CO -0.39 0.61 -0.00 0.43 -0.23 0.00 0.00 178.00 178.41 3cma n SER 7 N -4.48 0.01 0.20 1.44 7.64 -0.75 -3.19 113.62 114.49 3cma n SER 7 Ca 0.12 0.32 0.10 0.00 1.01 0.00 0.00 58.87 60.42 3cma n SER 7 Cb 0.19 -0.43 0.14 0.00 -1.01 0.00 0.00 64.21 63.10 3cma n SER 7 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3cma h GLN 8 N 0.00 0.00 0.00 1.43 1.08 -0.79 -3.26 115.11 113.57 3cma h GLN 8 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3cma h GLN 8 Cb 0.44 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3cma h GLN 8 CO 0.00 0.08 -0.13 0.78 -0.95 0.00 0.00 178.83 178.61 3cma h GLY 9 N 3.92 0.00 1.21 3.46 0.00 -1.53 -2.74 103.07 107.39 3cma h GLY 9 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cma h GLY 9 CO 0.01 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.82 3cma n LYS 10 N -3.52 0.71 -2.77 4.80 5.02 -1.23 -4.77 118.16 116.40 3cma n LYS 10 Ca -0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3cma n LYS 10 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3cma n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cma s LYS 11 N -2.33 3.30 0.00 1.97 1.02 -1.03 -4.69 119.74 117.97 3cma s LYS 11 Ca 0.36 -0.95 0.14 0.00 0.02 0.00 0.00 55.97 55.54 3cma s LYS 11 Cb 0.21 -4.53 0.23 0.00 -0.52 0.00 0.00 37.83 33.22 3cma s LYS 11 CO 0.43 -1.93 1.07 0.27 -0.92 0.00 0.00 175.35 174.27 3cma n ASN 12 N 7.97 0.48 -4.87 2.83 6.94 -1.26 -5.09 115.26 122.27 3cma n ASN 12 Ca 0.09 -1.97 -0.34 0.00 -0.02 0.00 0.00 54.58 52.34 3cma n ASN 12 Cb 0.48 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 3cma n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3cma s THR 13 N 0.00 5.06 -0.22 5.53 2.01 -1.26 -5.08 115.64 121.69 3cma s THR 13 Ca 0.18 0.42 -0.07 0.00 0.31 0.00 0.00 61.69 62.53 3cma s THR 13 Cb 0.21 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3cma s THR 13 CO -0.09 0.20 0.06 -0.89 -0.69 0.00 0.00 174.62 173.21 3cma s THR 14 N -1.50 4.42 0.00 -0.82 2.01 -1.26 -4.97 115.64 113.52 3cma s THR 14 Ca 0.36 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3cma s THR 14 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3cma s THR 14 CO 0.20 0.39 0.00 0.35 -0.69 0.00 0.00 174.62 174.87 3cma n THR 15 N 4.33 0.00 -2.44 -0.82 -2.24 -1.26 -4.73 114.28 107.12 3cma n THR 15 Ca -0.16 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3cma n THR 15 Cb 0.52 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3cma n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cma s HIS 16 N -0.40 3.18 0.20 4.78 3.76 -1.26 0.90 115.29 126.46 3cma s HIS 16 Ca 0.00 1.19 0.03 0.00 -0.15 0.00 0.00 55.06 56.13 3cma s HIS 16 Cb 0.00 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 3cma s HIS 16 CO 0.00 -1.39 -0.01 0.95 -0.85 0.00 0.00 174.74 173.43 3cma s THR 17 N 2.16 0.94 0.05 1.30 -4.23 0.37 -4.80 115.64 111.43 3cma s THR 17 Ca 0.57 -2.02 -0.36 0.00 -1.18 0.00 0.00 61.69 58.70 3cma s THR 17 Cb -0.25 -2.22 -0.15 0.00 1.34 0.00 0.00 72.50 71.22 3cma s THR 17 CO 0.23 -0.42 1.57 1.17 -0.54 0.00 0.00 174.62 176.63 3cma n LYS 18 N -0.34 1.71 -3.06 3.99 3.00 -1.26 0.07 118.16 122.28 3cma n LYS 18 Ca -0.06 0.62 -0.41 0.00 -0.00 0.00 0.00 58.31 58.47 3cma n LYS 18 Cb 0.63 -2.35 -0.06 0.00 0.00 0.00 0.00 35.03 33.25 3cma n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3cma h ARG 20 N 7.60 0.13 0.00 0.00 2.43 -1.90 -0.30 114.38 122.33 3cma h ARG 20 Ca -0.29 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3cma h ARG 20 Cb 1.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3cma h ARG 20 CO 0.79 0.08 -0.54 -0.09 -1.51 0.00 0.00 179.97 178.71 3cma h ARG 21 N 0.13 0.00 0.00 0.20 2.43 -1.97 -3.43 114.38 111.75 3cma h ARG 21 Ca 0.67 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.79 3cma h ARG 21 Cb 2.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.82 3cma h ARG 21 CO -0.17 0.25 -1.57 0.00 -1.51 0.00 0.00 179.97 176.97 3cma n GLY 23 N 1.28 0.74 3.81 0.00 0.00 -0.13 -5.00 105.19 105.89 3cma n GLY 23 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3cma n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 24 N -0.75 4.30 -1.38 1.61 0.41 -1.26 -4.50 118.70 117.12 3cma s GLU 24 Ca 0.00 0.94 -0.13 0.00 -0.41 0.00 0.00 54.97 55.37 3cma s GLU 24 Cb 0.00 -2.85 -0.03 0.00 -1.78 0.00 0.00 34.13 29.48 3cma s GLU 24 CO 0.00 0.37 2.40 1.17 -0.49 0.00 0.00 175.26 178.70 3cma n LYS 25 N 0.65 2.88 0.00 1.61 4.81 -1.26 -0.26 118.16 126.59 3cma n LYS 25 Ca -0.01 -2.31 0.00 0.00 -0.87 0.00 0.00 58.31 55.12 3cma n LYS 25 Cb 0.51 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.52 3cma n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3cma n SER 26 N 5.41 0.99 -4.55 3.14 7.64 -0.92 -4.35 113.62 120.98 3cma n SER 26 Ca 0.59 -1.44 -0.43 0.00 1.01 0.00 0.00 58.87 58.60 3cma n SER 26 Cb 0.33 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 3cma n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3cma s TYR 27 N -0.44 2.90 -0.69 1.43 5.04 0.11 -1.31 117.35 124.39 3cma s TYR 27 Ca 0.00 0.22 -0.26 0.00 -2.44 0.00 0.00 57.07 54.59 3cma s TYR 27 Cb 0.00 -3.94 -0.01 0.00 0.35 0.00 0.00 41.96 38.35 3cma s TYR 27 CO 0.00 -1.16 1.77 -1.58 -1.34 0.00 0.00 175.55 173.25 3cma s HIS 28 N 3.72 1.80 -0.58 4.97 5.65 -0.25 0.14 115.29 130.75 3cma s HIS 28 Ca 0.34 0.58 0.06 0.00 0.25 0.00 0.00 55.06 56.29 3cma s HIS 28 Cb -0.11 -4.19 0.35 0.00 -1.18 0.00 0.00 32.58 27.45 3cma s HIS 28 CO 0.23 -2.18 1.13 -2.37 -0.65 0.00 0.00 174.74 170.91 3cma n THR 29 N 7.17 1.39 -0.07 0.89 5.66 0.26 0.23 114.28 129.81 3cma n THR 29 Ca 0.21 0.59 -0.14 0.00 -3.05 0.00 0.00 64.05 61.65 3cma n THR 29 Cb 0.51 -1.59 -0.14 0.00 -1.55 0.00 0.00 70.33 67.56 3cma n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3cma n LYS 30 N -1.69 0.68 0.04 1.09 5.02 -1.26 -4.27 118.16 117.78 3cma n LYS 30 Ca -0.00 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 3cma n LYS 30 Cb 0.10 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 3cma n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cma n LYS 31 N -3.10 0.45 -3.72 1.97 5.02 -0.22 -4.95 118.16 113.61 3cma n LYS 31 Ca -0.34 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.69 3cma n LYS 31 Cb 1.07 -1.64 0.05 0.00 -0.02 0.00 0.00 35.03 34.49 3cma n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cma n LYS 32 N -2.21 -6.42 -3.97 1.97 4.76 0.62 -4.98 118.16 107.93 3cma n LYS 32 Ca 0.00 0.71 -0.14 0.00 -2.87 0.00 0.00 58.31 56.01 3cma n LYS 32 Cb 0.49 -5.62 -0.14 0.00 -1.84 0.00 0.00 35.03 27.92 3cma n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3cma s VAL 33 N -3.37 0.15 -0.30 -0.18 1.01 -1.21 -4.55 120.40 111.95 3cma s VAL 33 Ca 0.46 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 3cma s VAL 33 Cb -0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3cma s VAL 33 CO 0.78 0.05 0.34 0.00 0.00 0.00 0.00 175.10 176.28 3cma n SER 35 N 5.31 0.00 -0.01 0.00 3.41 -0.42 -0.51 113.62 121.39 3cma n SER 35 Ca -0.09 0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 58.84 3cma n SER 35 Cb 0.50 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3cma n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3cma n SER 36 N -1.42 0.32 0.00 4.04 2.88 -1.26 -4.72 113.62 113.46 3cma n SER 36 Ca 0.05 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.88 3cma n SER 36 Cb 0.15 -0.55 0.16 0.00 -0.75 0.00 0.00 64.21 63.21 3cma n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cma n GLY 38 N 1.48 0.72 3.62 0.00 0.00 0.33 0.12 105.19 111.46 3cma n GLY 38 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 3cma n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cma n PHE 39 N -2.47 1.70 0.00 1.61 7.35 -1.25 0.28 117.46 124.68 3cma n PHE 39 Ca 0.00 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 3cma n PHE 39 Cb 0.00 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.47 3cma n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3cma n GLY 40 N 1.91 2.75 0.36 7.13 0.00 -1.26 -0.43 105.19 115.65 3cma n GLY 40 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3cma n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cma n LYS 41 N -2.00 0.39 -3.92 1.61 4.81 0.14 -4.85 118.16 114.34 3cma n LYS 41 Ca 0.00 0.15 -0.10 0.00 -0.87 0.00 0.00 58.31 57.49 3cma n LYS 41 Cb 0.00 -1.18 -0.11 0.00 0.02 0.00 0.00 35.03 33.76 3cma n LYS 41 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3cma s SER 42 N -6.35 0.11 0.26 3.14 1.04 -0.45 -5.03 113.70 106.42 3cma s SER 42 Ca -0.24 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 3cma s SER 42 Cb 0.09 0.15 0.32 0.00 0.10 0.00 0.00 66.02 66.68 3cma s SER 42 CO 0.33 -0.29 1.77 0.00 0.98 0.00 0.00 173.24 176.03 3cma h ALA 43 N 4.68 1.11 -2.30 5.32 0.00 -1.97 -3.41 119.26 122.70 3cma h ALA 43 Ca -0.31 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 3cma h ALA 43 Cb 1.20 -0.21 0.05 0.00 0.00 0.00 0.00 17.79 18.83 3cma h ALA 43 CO 0.42 0.58 0.40 0.15 0.00 0.00 0.00 179.25 180.79 3cma s LYS 44 N -5.08 3.64 0.15 0.00 1.02 -1.26 -5.02 119.74 113.19 3cma s LYS 44 Ca -0.10 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 3cma s LYS 44 Cb 0.15 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 3cma s LYS 44 CO 0.81 -0.53 1.04 1.03 -0.92 0.00 0.00 175.35 176.78 3cma s ARG 45 N -4.72 4.64 0.05 1.68 1.81 -1.26 -4.85 118.95 116.29 3cma s ARG 45 Ca 0.57 1.60 -0.30 0.00 -1.72 0.00 0.00 55.73 55.88 3cma s ARG 45 Cb -0.11 -3.32 -0.08 0.00 -0.45 0.00 0.00 34.95 30.99 3cma s ARG 45 CO 0.45 0.14 1.73 0.50 -0.68 0.00 0.00 175.30 177.44 3cma s ARG 46 N -0.20 4.18 -0.20 3.54 3.52 0.31 -4.94 118.95 125.16 3cma s ARG 46 Ca 0.48 2.39 -0.25 0.00 -0.13 0.00 0.00 55.73 58.23 3cma s ARG 46 Cb -0.27 -3.77 0.07 0.00 -1.56 0.00 0.00 34.95 29.42 3cma s ARG 46 CO 0.32 -0.81 0.66 0.34 -0.81 0.00 0.00 175.30 175.01 3cma s ASP 47 N 2.98 -0.68 0.04 -2.12 -1.08 -1.26 -4.72 116.67 109.83 3cma s ASP 47 Ca 0.77 1.18 -0.03 0.00 -0.52 0.00 0.00 52.55 53.95 3cma s ASP 47 Cb -0.40 1.16 -0.02 0.00 -1.46 0.00 0.00 42.92 42.20 3cma s ASP 47 CO 0.34 -0.32 0.03 -0.31 0.52 0.00 0.00 175.17 175.42 3cma s TYR 48 N -0.04 0.31 0.04 -5.34 1.51 -1.26 -5.04 117.35 107.52 3cma s TYR 48 Ca -0.03 -0.68 0.19 0.00 -1.01 0.00 0.00 57.07 55.55 3cma s TYR 48 Cb -0.04 -0.23 0.53 0.00 -0.11 0.00 0.00 41.96 42.12 3cma s TYR 48 CO 0.03 -0.33 1.66 0.93 -1.11 0.00 0.00 175.55 176.73 3cma h GLU 49 N 3.76 0.00 0.00 -0.62 4.39 -2.02 -3.06 114.58 117.03 3cma h GLU 49 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3cma h GLU 49 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3cma h GLU 49 CO 0.52 0.37 0.00 -2.67 -1.16 0.00 0.00 179.01 176.07 3cma n TRP 50 N -3.38 0.00 1.82 4.33 4.27 -1.26 -2.81 117.44 120.42 3cma n TRP 50 Ca 0.01 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.68 3cma n TRP 50 Cb 0.56 0.00 0.32 0.00 -1.36 0.00 0.00 31.31 30.84 3cma n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3cma n GLN 51 N -0.73 1.15 -3.68 -2.67 6.02 -1.16 -4.80 117.38 111.51 3cma n GLN 51 Ca 0.09 -0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 56.75 3cma n GLN 51 Cb 0.04 -1.21 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 3cma n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3cma s SER 52 N -1.35 -0.29 0.42 1.08 1.04 -1.12 -5.11 113.70 108.37 3cma s SER 52 Ca 0.19 -0.40 -0.26 0.00 0.48 0.00 0.00 55.95 55.97 3cma s SER 52 Cb 0.09 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.69 3cma s SER 52 CO 0.15 -1.01 1.36 -0.54 0.98 0.00 0.00 173.24 174.17 3cma s LYS 53 N -3.85 3.88 0.22 4.02 -0.14 -1.26 -4.91 119.74 117.70 3cma s LYS 53 Ca 0.07 2.27 -0.17 0.00 -1.36 0.00 0.00 55.97 56.78 3cma s LYS 53 Cb -0.01 -2.73 0.22 0.00 -1.68 0.00 0.00 37.83 33.63 3cma s LYS 53 CO -0.05 -0.61 1.57 0.00 -0.76 0.00 0.00 175.35 175.50 3cma h ALA 54 N 2.57 0.17 -0.35 5.17 0.00 -1.97 -0.11 119.26 124.74 3cma h ALA 54 Ca -0.50 0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 3cma h ALA 54 Cb 1.25 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 19.78 3cma h ALA 54 CO 0.62 -0.59 0.22 0.41 0.00 0.00 0.00 179.25 179.91 3cma n GLY 55 N -1.47 2.83 0.00 0.00 0.00 -1.26 -5.15 105.19 100.13 3cma n GLY 55 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3cma n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11