#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5b s LEU 10 N 0.00 4.09 -0.00 -1.96 2.01 -1.26 -2.90 118.68 118.66 3d5b s LEU 10 Ca 0.00 0.67 0.01 0.00 0.01 0.00 0.00 54.13 54.82 3d5b s LEU 10 Cb 0.00 -2.77 -0.04 0.00 0.01 0.00 0.00 46.19 43.39 3d5b s LEU 10 CO 0.00 -0.29 0.01 -0.22 1.01 0.00 0.00 176.35 176.86 3d5b s LEU 11 N 2.15 3.56 -0.07 1.79 1.98 -0.59 -4.82 118.68 122.68 3d5b s LEU 11 Ca 0.25 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.50 3d5b s LEU 11 Cb -0.16 -2.04 0.02 0.00 0.66 0.00 0.00 46.19 44.68 3d5b s LEU 11 CO 0.09 0.28 -0.06 -1.83 -1.89 0.00 0.00 176.35 172.95 3d5b s GLU 12 N -1.56 1.11 -0.28 1.98 1.03 -1.26 -1.05 118.70 118.67 3d5b s GLU 12 Ca 0.20 -0.15 -0.11 0.00 0.03 0.00 0.00 54.97 54.95 3d5b s GLU 12 Cb -0.12 -1.17 -0.04 0.00 -0.80 0.00 0.00 34.13 32.01 3d5b s GLU 12 CO 0.10 -0.17 0.17 0.00 -1.33 0.00 0.00 175.26 174.04 3d5b n THR 14 N 5.04 0.00 -4.43 0.00 5.66 -0.70 -0.85 114.28 119.00 3d5b n THR 14 Ca -0.14 -0.98 -0.26 0.00 -3.05 0.00 0.00 64.05 59.62 3d5b n THR 14 Cb 0.52 -1.22 -0.09 0.00 -1.55 0.00 0.00 70.33 67.98 3d5b n THR 14 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3d5b s GLU 15 N -4.52 1.99 -0.24 1.09 2.12 -1.01 -3.36 118.70 114.78 3d5b s GLU 15 Ca 0.48 -1.88 -0.18 0.00 0.36 0.00 0.00 54.97 53.75 3d5b s GLU 15 Cb -0.02 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.52 3d5b s GLU 15 CO 0.33 0.08 0.53 0.00 -0.54 0.00 0.00 175.26 175.66 3d5b n LYS 17 N 5.28 -1.50 0.00 0.00 4.76 -1.26 -4.93 118.16 120.51 3d5b n LYS 17 Ca -0.04 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.53 3d5b n LYS 17 Cb 0.50 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 28.09 3d5b n LYS 17 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3d5b n ARG 18 N -2.62 0.00 -2.76 1.97 1.74 -1.26 -5.12 116.66 108.62 3d5b n ARG 18 Ca -0.22 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.76 3d5b n ARG 18 Cb 0.68 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.17 3d5b n ARG 18 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3d5b n ARG 19 N 0.00 1.12 -4.48 5.56 1.85 -1.26 -4.73 116.66 114.72 3d5b n ARG 19 Ca 0.00 -2.63 -0.30 0.00 -1.00 0.00 0.00 57.85 53.92 3d5b n ARG 19 Cb 0.00 -0.89 -0.13 0.00 -1.05 0.00 0.00 32.46 30.39 3d5b n ARG 19 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3d5b s ASN 20 N -2.15 3.55 0.44 2.89 3.84 -1.26 -5.00 114.94 117.25 3d5b s ASN 20 Ca 0.27 -0.62 0.06 0.00 0.21 0.00 0.00 52.86 52.78 3d5b s ASN 20 Cb 0.40 -0.40 -0.05 0.00 -0.55 0.00 0.00 41.25 40.66 3d5b s ASN 20 CO -0.03 0.20 0.10 -0.31 -2.79 0.00 0.00 177.10 174.27 3d5b s TYR 21 N -1.03 2.36 0.01 0.43 4.12 -1.26 -2.40 117.35 119.58 3d5b s TYR 21 Ca 0.15 -0.71 -0.15 0.00 0.02 0.00 0.00 57.07 56.38 3d5b s TYR 21 Cb -0.10 -1.82 0.03 0.00 -1.52 0.00 0.00 41.96 38.54 3d5b s TYR 21 CO 0.07 0.24 0.33 0.00 0.02 0.00 0.00 175.55 176.21 3d5b s ALA 22 N -2.71 -0.82 0.02 3.71 0.00 -0.03 -4.93 121.76 117.00 3d5b s ALA 22 Ca 0.32 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 3d5b s ALA 22 Cb 0.05 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3d5b s ALA 22 CO 0.17 -0.33 0.90 0.95 0.00 0.00 0.00 175.76 177.46 3d5b s THR 23 N -1.78 4.79 0.27 0.00 -4.23 -1.26 -1.91 115.64 111.52 3d5b s THR 23 Ca -0.10 1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 62.21 3d5b s THR 23 Cb -0.03 -4.25 -0.00 0.00 1.34 0.00 0.00 72.50 69.56 3d5b s THR 23 CO 0.02 0.24 0.49 -1.61 -0.54 0.00 0.00 174.62 173.21 3d5b s GLU 24 N 0.59 1.65 -0.28 3.99 0.41 -0.22 -4.88 118.70 119.96 3d5b s GLU 24 Ca 0.47 -1.36 0.01 0.00 -0.41 0.00 0.00 54.97 53.67 3d5b s GLU 24 Cb -0.21 0.47 0.15 0.00 -1.78 0.00 0.00 34.13 32.76 3d5b s GLU 24 CO 0.26 -0.69 0.38 0.21 -0.49 0.00 0.00 175.26 174.93 3d5b s LYS 25 N -3.74 0.38 0.91 1.61 2.20 -1.26 -1.55 119.74 118.30 3d5b s LYS 25 Ca 0.24 0.14 -0.13 0.00 -0.36 0.00 0.00 55.97 55.86 3d5b s LYS 25 Cb -0.01 -0.41 0.19 0.00 -1.51 0.00 0.00 37.83 36.09 3d5b s LYS 25 CO 0.11 -0.97 1.26 1.21 -0.36 0.00 0.00 175.35 176.60 3d5b s ASN 26 N 2.51 3.36 -0.19 1.43 2.47 -1.14 -4.85 114.94 118.52 3d5b s ASN 26 Ca 0.10 0.12 -0.03 0.00 0.42 0.00 0.00 52.86 53.47 3d5b s ASN 26 Cb -0.13 -0.23 -0.01 0.00 -1.45 0.00 0.00 41.25 39.43 3d5b s ASN 26 CO -0.28 -2.56 -0.06 -0.54 -3.72 0.00 0.00 177.10 169.94 3d5b s LYS 27 N -5.74 3.43 0.00 0.43 -0.14 -1.26 -3.78 119.74 112.68 3d5b s LYS 27 Ca 0.73 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 3d5b s LYS 27 Cb -0.04 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 3d5b s LYS 27 CO 0.51 -0.05 0.32 -2.13 -0.76 0.00 0.00 175.35 173.24 3d5b n ARG 28 N 4.36 0.00 -0.02 1.68 3.00 -1.26 -4.23 116.66 120.19 3d5b n ARG 28 Ca -0.18 0.23 -0.18 0.00 -0.00 0.00 0.00 57.85 57.72 3d5b n ARG 28 Cb 0.51 -0.82 -0.14 0.00 0.00 0.00 0.00 32.46 32.02 3d5b n ARG 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3d5b n ASN 29 N -0.55 1.79 -4.42 6.15 4.05 -1.26 -4.83 115.26 116.19 3d5b n ASN 29 Ca 0.00 0.19 -0.50 0.00 0.45 0.00 0.00 54.58 54.72 3d5b n ASN 29 Cb 0.00 -0.57 -0.04 0.00 1.23 0.00 0.00 39.78 40.40 3d5b n ASN 29 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3d5b n THR 30 N -3.34 1.62 -0.99 -0.44 -1.04 -1.26 -4.34 114.28 104.49 3d5b n THR 30 Ca -0.31 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 3d5b n THR 30 Cb 1.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 3d5b n THR 30 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3d5b n PRO 31 N 1.09 0.00 -3.23 -2.82 -0.02 -1.26 -4.67 135.00 124.09 3d5b n PRO 31 Ca 0.18 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 3d5b n PRO 31 Cb 0.22 -0.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 3d5b n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3d5b s ASN 32 N 1.77 -1.21 0.01 2.55 0.01 -1.26 -5.06 114.94 111.75 3d5b s ASN 32 Ca 0.00 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 3d5b s ASN 32 Cb 0.00 2.08 0.00 0.00 0.41 0.00 0.00 41.25 43.74 3d5b s ASN 32 CO 0.00 -0.23 0.00 0.29 -1.51 0.00 0.00 177.10 175.65 3d5b n LYS 33 N 5.42 0.00 -4.40 -0.60 4.76 -1.26 -4.63 118.16 117.45 3d5b n LYS 33 Ca -0.04 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.16 3d5b n LYS 33 Cb 0.51 -0.47 -0.09 0.00 -1.84 0.00 0.00 35.03 33.14 3d5b n LYS 33 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 3d5b s LEU 34 N -6.05 2.79 -0.38 -0.35 -0.00 -1.26 -5.07 118.68 108.36 3d5b s LEU 34 Ca 0.00 -0.86 0.02 0.00 -0.00 0.00 0.00 54.13 53.29 3d5b s LEU 34 Cb 0.00 -1.34 0.11 0.00 -0.00 0.00 0.00 46.19 44.97 3d5b s LEU 34 CO 0.00 0.04 0.13 -0.70 -0.00 0.00 0.00 176.35 175.82 3d5b s GLU 35 N -3.43 1.33 -0.44 1.48 2.56 -1.26 -4.97 118.70 113.97 3d5b s GLU 35 Ca 0.29 -1.81 0.04 0.00 0.00 0.00 0.00 54.97 53.49 3d5b s GLU 35 Cb -0.06 -2.77 0.60 0.00 2.00 0.00 0.00 34.13 33.91 3d5b s GLU 35 CO 0.16 -1.02 1.82 1.47 -0.56 0.00 0.00 175.26 177.13 3d5b n LEU 36 N 4.10 6.27 -4.68 2.70 -0.00 -1.26 -2.15 117.00 121.97 3d5b n LEU 36 Ca 0.03 -3.76 -0.43 0.00 -0.00 0.00 0.00 56.01 51.86 3d5b n LEU 36 Cb 0.39 -0.80 -0.02 0.00 -0.00 0.00 0.00 43.42 42.98 3d5b n LEU 36 CO 0.22 1.18 0.83 -0.13 -0.00 0.00 0.00 177.39 179.49 3d5b s ARG 37 N -3.36 4.37 0.99 1.47 3.00 -1.25 -4.75 118.95 119.41 3d5b s ARG 37 Ca 0.55 1.39 -0.12 0.00 0.00 0.00 0.00 55.73 57.55 3d5b s ARG 37 Cb 0.47 -3.57 0.14 0.00 0.00 0.00 0.00 34.95 31.99 3d5b s ARG 37 CO 0.07 -0.42 0.84 1.17 0.00 0.00 0.00 175.30 176.97 3d5b n LYS 38 N 5.43 -0.87 0.00 3.54 4.81 -1.26 -3.20 118.16 126.61 3d5b n LYS 38 Ca 0.10 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3d5b n LYS 38 Cb 0.48 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3d5b n LYS 38 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3d5b n TYR 39 N -4.24 0.00 -3.47 5.64 9.36 -1.12 -4.74 117.16 118.58 3d5b n TYR 39 Ca 0.08 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.30 3d5b n TYR 39 Cb 0.54 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.21 3d5b n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3d5b n PRO 41 N 5.44 -0.50 -0.12 0.00 -0.02 -1.26 -4.83 135.00 133.70 3d5b n PRO 41 Ca -0.08 -1.03 -0.16 0.00 -2.02 0.00 0.00 63.50 60.21 3d5b n PRO 41 Cb 0.50 -0.61 -0.13 0.00 -0.02 0.00 0.00 33.50 33.23 3d5b n PRO 41 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3d5b n TRP 42 N -2.78 0.04 -2.47 6.00 -0.00 -1.26 -4.66 117.44 112.31 3d5b n TRP 42 Ca 0.08 0.01 -0.42 0.00 -0.00 0.00 0.00 57.50 57.17 3d5b n TRP 42 Cb 0.28 -1.01 -0.03 0.00 -0.00 0.00 0.00 31.31 30.56 3d5b n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3d5b n ARG 44 N 5.09 0.00 -3.68 0.00 3.00 -1.26 -4.84 116.66 114.97 3d5b n ARG 44 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.84 3d5b n ARG 44 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.81 3d5b n ARG 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3d5b s LYS 45 N 0.00 0.30 -0.18 5.56 -0.14 -1.26 -4.69 119.74 119.33 3d5b s LYS 45 Ca 0.00 0.86 -0.03 0.00 -1.36 0.00 0.00 55.97 55.44 3d5b s LYS 45 Cb 0.00 0.12 0.01 0.00 -1.68 0.00 0.00 37.83 36.28 3d5b s LYS 45 CO 0.00 -0.22 0.06 0.72 -0.76 0.00 0.00 175.35 175.15 3d5b n HIS 46 N 4.95 -2.80 -4.11 3.18 8.25 -1.26 -4.93 115.22 118.50 3d5b n HIS 46 Ca -0.14 1.40 -0.15 0.00 -0.26 0.00 0.00 57.72 58.56 3d5b n HIS 46 Cb 0.51 -3.16 -0.12 0.00 1.12 0.00 0.00 29.99 28.35 3d5b n HIS 46 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3d5b s THR 47 N -0.85 0.78 0.63 1.59 -4.23 -1.24 -4.97 115.64 107.36 3d5b s THR 47 Ca -0.07 -1.16 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 3d5b s THR 47 Cb 0.00 -0.80 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 3d5b s THR 47 CO 0.53 -0.31 1.27 1.33 -0.54 0.00 0.00 174.62 176.90 3d5b n VAL 48 N 1.41 4.69 -3.96 2.29 0.24 -1.26 -2.81 118.33 118.92 3d5b n VAL 48 Ca -0.22 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.28 3d5b n VAL 48 Cb 0.54 -1.49 -0.16 0.00 -1.47 0.00 0.00 33.84 31.27 3d5b n VAL 48 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3d5b s HIS 49 N -1.38 2.34 0.57 6.34 3.76 -1.19 -3.73 115.29 122.00 3d5b s HIS 49 Ca 0.81 -1.60 -0.15 0.00 -0.15 0.00 0.00 55.06 53.97 3d5b s HIS 49 Cb -0.39 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 3d5b s HIS 49 CO 0.42 -0.74 1.02 1.03 -0.85 0.00 0.00 174.74 175.62 3d5b s ARG 50 N 1.42 3.65 0.00 1.40 1.81 -1.21 -3.83 118.95 122.18 3d5b s ARG 50 Ca -0.03 0.97 0.00 0.00 -1.72 0.00 0.00 55.73 54.95 3d5b s ARG 50 Cb -0.17 -2.09 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 3d5b s ARG 50 CO -0.07 -0.53 0.29 -1.91 -0.68 0.00 0.00 175.30 172.40 3d5b n GLU 51 N -2.05 0.00 -0.22 3.54 2.13 -0.92 -1.72 120.64 121.40 3d5b n GLU 51 Ca 0.07 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3d5b n GLU 51 Cb 0.54 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.46 3d5b n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00