#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x93 s ARG 32 N 0.00 2.38 0.04 1.09 1.81 -1.26 -4.95 118.95 118.06 1x93 s ARG 32 Ca 0.00 -0.99 -0.33 0.00 -1.72 0.00 0.00 55.73 52.70 1x93 s ARG 32 Cb 0.00 -5.20 -0.11 0.00 -0.45 0.00 0.00 34.95 29.19 1x93 s ARG 32 CO 0.00 -4.04 1.82 0.00 -0.68 0.00 0.00 175.30 172.40 1x93 n ALA 33 N 14.82 1.44 -3.52 2.13 0.00 -1.26 -4.99 120.51 129.14 1x93 n ALA 33 Ca 0.44 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.97 1x93 n ALA 33 Cb 0.47 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 1x93 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x93 s VAL 34 N 3.12 -0.21 -0.04 0.00 1.01 -1.26 -5.14 120.40 117.87 1x93 s VAL 34 Ca 0.86 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1x93 s VAL 34 Cb -0.59 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1x93 s VAL 34 CO 0.43 -0.38 -0.18 -0.55 0.00 0.00 0.00 175.10 174.42 1x93 s SER 35 N 2.23 3.70 0.22 3.32 0.15 -1.26 -5.14 113.70 116.92 1x93 s SER 35 Ca 0.06 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.42 1x93 s SER 35 Cb -0.16 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1x93 s SER 35 CO -0.20 0.33 0.11 -0.76 1.20 0.00 0.00 173.24 173.92 1x93 s LEU 36 N -0.64 1.36 -0.59 3.45 1.02 -1.26 -5.13 118.68 116.89 1x93 s LEU 36 Ca 0.10 -1.38 0.04 0.00 0.02 0.00 0.00 54.13 52.91 1x93 s LEU 36 Cb -0.11 0.24 0.16 0.00 0.02 0.00 0.00 46.19 46.51 1x93 s LEU 36 CO 0.00 -0.79 0.42 -0.31 0.02 0.00 0.00 176.35 175.69 1x93 s TYR 37 N -4.00 2.76 0.91 0.29 2.02 -1.26 -5.10 117.35 112.97 1x93 s TYR 37 Ca 0.38 -2.98 -0.15 0.00 -0.37 0.00 0.00 57.07 53.94 1x93 s TYR 37 Cb 0.07 -2.18 0.21 0.00 -0.40 0.00 0.00 41.96 39.66 1x93 s TYR 37 CO 0.12 -0.65 1.21 1.19 -1.57 0.00 0.00 175.55 175.85 1x93 n PHE 38 N 2.42 -3.99 -4.10 2.71 3.01 -1.26 -5.14 117.46 111.11 1x93 n PHE 38 Ca 0.20 -1.07 -0.10 0.00 1.01 0.00 0.00 57.45 57.49 1x93 n PHE 38 Cb 0.38 -0.95 -0.09 0.00 -0.01 0.00 0.00 39.48 38.82 1x93 n PHE 38 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1x93 s SER 39 N -5.41 0.14 0.14 4.37 0.01 -1.26 -5.01 113.70 106.68 1x93 s SER 39 Ca 0.69 -1.15 -0.28 0.00 1.31 0.00 0.00 55.95 56.52 1x93 s SER 39 Cb -0.02 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1x93 s SER 39 CO 0.48 -0.86 1.58 0.44 0.41 0.00 0.00 173.24 175.29 1x93 h ASP 40 N 2.63 -1.42 -0.06 2.44 5.19 -2.00 -0.37 116.42 122.83 1x93 h ASP 40 Ca -0.33 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1x93 h ASP 40 Cb 1.23 0.60 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 1x93 h ASP 40 CO 0.51 -0.39 0.01 -0.33 -3.12 0.00 0.00 179.24 175.92 1x93 h GLU 41 N -0.39 0.03 -0.66 3.56 4.39 -1.99 0.04 114.58 119.56 1x93 h GLU 41 Ca 0.11 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1x93 h GLU 41 Cb 0.60 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1x93 h GLU 41 CO -0.51 0.02 0.28 1.96 -1.16 0.00 0.00 179.01 179.60 1x93 h GLN 42 N 0.03 0.95 0.19 2.33 7.50 -1.83 0.26 115.11 124.55 1x93 h GLN 42 Ca 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 58.65 59.02 1x93 h GLN 42 Cb 0.02 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.39 1x93 h GLN 42 CO -0.04 0.77 -0.09 -0.92 -1.50 0.00 0.00 178.83 177.05 1x93 h TYR 43 N 0.94 -0.24 -0.20 2.96 5.03 -0.92 -3.25 116.97 121.29 1x93 h TYR 43 Ca 0.22 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.44 1x93 h TYR 43 Cb 0.16 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1x93 h TYR 43 CO 0.01 0.12 -0.25 1.96 -1.32 0.00 0.00 178.16 178.68 1x93 h GLN 44 N -0.65 0.38 -0.75 1.82 7.50 -0.70 0.86 115.11 123.57 1x93 h GLN 44 Ca -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 1x93 h GLN 44 Cb 0.47 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.94 1x93 h GLN 44 CO 0.04 0.61 0.39 0.87 -1.50 0.00 0.00 178.83 179.25 1x93 h LYS 45 N 0.34 1.06 -0.02 1.46 6.56 -1.09 0.12 116.57 125.00 1x93 h LYS 45 Ca 0.05 -0.13 -0.22 0.00 -1.06 0.00 0.00 60.65 59.29 1x93 h LYS 45 Cb 0.63 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1x93 h LYS 45 CO 0.05 0.79 -0.90 -0.07 -2.06 0.00 0.00 179.45 177.25 1x93 h LEU 46 N 1.06 0.57 -1.08 2.94 3.38 -1.35 -3.08 115.31 117.74 1x93 h LEU 46 Ca 0.26 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1x93 h LEU 46 Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1x93 h LEU 46 CO -0.04 1.22 0.19 -0.08 0.09 0.00 0.00 178.44 179.82 1x93 h GLU 47 N 0.26 0.84 -0.63 1.13 4.81 -0.72 -0.40 114.58 119.88 1x93 h GLU 47 Ca -0.07 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1x93 h GLU 47 Cb 1.53 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 1x93 h GLU 47 CO 0.16 0.72 0.23 -0.22 -0.73 0.00 0.00 179.01 179.17 1x93 h LYS 48 N 0.82 0.93 -0.17 1.92 3.64 -0.79 0.06 116.57 122.98 1x93 h LYS 48 Ca 0.19 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1x93 h LYS 48 Cb 0.22 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1x93 h LYS 48 CO -0.01 0.77 -0.30 0.52 -2.27 0.00 0.00 179.45 178.16 1x93 h MET 49 N 0.91 0.51 -0.43 1.90 2.86 -1.41 -3.32 114.93 115.95 1x93 h MET 49 Ca 0.21 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1x93 h MET 49 Cb 0.20 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1x93 h MET 49 CO -0.02 0.92 0.22 0.00 1.06 0.00 0.00 176.91 179.10 1x93 h ALA 50 N 0.59 1.59 -0.16 6.32 0.00 -0.62 -1.95 119.26 125.02 1x93 h ALA 50 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1x93 h ALA 50 Cb 0.88 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1x93 h ALA 50 CO 0.07 0.34 0.16 -0.97 0.00 0.00 0.00 179.25 178.85 1x93 h ASN 51 N 0.59 0.00 0.43 0.00 -1.24 -1.09 0.78 115.58 115.04 1x93 h ASN 51 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1x93 h ASN 51 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1x93 h ASN 51 CO -0.02 0.00 -0.06 -0.62 -1.29 0.00 0.00 177.43 175.43 1x93 n GLU 52 N -3.94 0.60 0.00 6.67 -0.58 -0.73 -3.37 120.64 119.28 1x93 n GLU 52 Ca 0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1x93 n GLU 52 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1x93 n GLU 52 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x93 n GLU 53 N -1.09 -0.42 -0.70 3.49 4.07 -0.36 -5.04 120.64 120.59 1x93 n GLU 53 Ca 0.15 -0.41 0.00 0.00 -0.06 0.00 0.00 57.16 56.84 1x93 n GLU 53 Cb 0.25 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.80 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1x93 n GLU 54 N -0.03 0.00 -3.30 5.31 2.13 0.06 -4.78 120.64 120.03 1x93 n GLU 54 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1x93 n GLU 54 Cb 0.11 -0.79 0.02 0.00 0.27 0.00 0.00 31.44 31.05 1x93 n GLU 54 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x93 n GLU 55 N -0.25 -2.01 -2.38 5.31 4.71 -0.02 -4.94 120.64 121.06 1x93 n GLU 55 Ca 0.00 1.59 -0.16 0.00 -0.01 0.00 0.00 57.16 58.58 1x93 n GLU 55 Cb 0.16 -3.47 0.03 0.00 -1.01 0.00 0.00 31.44 27.15 1x93 n GLU 55 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1x93 n SER 56 N -0.56 3.59 -0.28 1.62 2.88 -1.26 -4.99 113.62 114.63 1x93 n SER 56 Ca -0.04 -3.14 0.06 0.00 -1.33 0.00 0.00 58.87 54.42 1x93 n SER 56 Cb 0.60 -0.41 0.20 0.00 -0.75 0.00 0.00 64.21 63.85 1x93 n SER 56 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1x93 h VAL 57 N 3.33 0.72 -0.94 2.46 2.07 -1.91 -0.16 116.25 121.82 1x93 h VAL 57 Ca 0.17 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1x93 h VAL 57 Cb 1.34 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1x93 h VAL 57 CO 0.58 0.10 0.62 1.23 0.02 0.00 0.00 177.57 180.12 1x93 h GLY 58 N 0.56 1.34 1.55 2.17 0.00 -1.98 0.67 103.07 107.38 1x93 h GLY 58 Ca 0.44 -0.48 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1x93 h GLY 58 CO -0.37 0.45 -1.06 1.76 0.00 0.00 0.00 176.54 177.33 1x93 h SER 59 N 1.24 0.53 -0.72 0.19 0.02 -1.75 -3.16 113.55 109.89 1x93 h SER 59 Ca 0.36 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1x93 h SER 59 Cb -0.09 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1x93 h SER 59 CO -0.09 1.29 0.42 0.22 -1.14 0.00 0.00 176.83 177.54 1x93 h TYR 60 N 0.18 0.96 0.04 3.45 5.03 -0.30 0.60 116.97 126.94 1x93 h TYR 60 Ca -0.11 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.22 1x93 h TYR 60 Cb 1.72 -0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.64 1x93 h TYR 60 CO 0.07 0.66 -0.43 0.82 -1.32 0.00 0.00 178.16 177.95 1x93 h ILE 61 N 0.99 0.14 -0.25 1.81 2.04 -0.98 0.63 117.51 121.88 1x93 h ILE 61 Ca 0.26 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.12 1x93 h ILE 61 Cb -0.01 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1x93 h ILE 61 CO -0.05 0.00 0.15 0.50 0.00 0.00 0.00 178.15 178.76 1x93 h LYS 62 N -0.61 0.30 -0.01 2.37 3.64 -1.46 -2.46 116.57 118.35 1x93 h LYS 62 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1x93 h LYS 62 Cb 0.67 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1x93 h LYS 62 CO -0.30 0.20 -0.13 -0.09 -2.27 0.00 0.00 179.45 176.86 1x93 h ARG 63 N 0.31 0.02 -0.17 1.90 2.43 -0.63 -1.50 114.38 116.74 1x93 h ARG 63 Ca 0.10 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1x93 h ARG 63 Cb -0.01 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1x93 h ARG 63 CO -0.04 0.15 -0.60 -0.92 -1.51 0.00 0.00 179.97 177.06 1x93 h TYR 64 N 0.02 0.72 -0.35 2.20 3.20 -0.41 0.17 116.97 122.51 1x93 h TYR 64 Ca 0.00 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 1x93 h TYR 64 Cb 0.25 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1x93 h TYR 64 CO 0.00 1.02 0.15 0.82 -1.64 0.00 0.00 178.16 178.51 1x93 h ILE 65 N 0.42 1.18 -0.28 1.81 2.04 -1.20 -2.02 117.51 119.47 1x93 h ILE 65 Ca -0.00 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.20 1x93 h ILE 65 Cb 1.16 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1x93 h ILE 65 CO 0.11 0.19 -0.34 -0.07 0.00 0.00 0.00 178.15 178.05 1x93 h LEU 66 N 0.43 0.62 -0.82 1.44 4.07 -1.02 0.64 115.31 120.67 1x93 h LEU 66 Ca 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1x93 h LEU 66 Cb 0.16 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.69 1x93 h LEU 66 CO -0.01 0.92 0.47 0.50 -1.08 0.00 0.00 178.44 179.23 1x93 h LYS 67 N 0.51 1.13 -0.15 1.13 3.64 -0.60 -2.23 116.57 119.99 1x93 h LYS 67 Ca 0.06 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1x93 h LYS 67 Cb 0.83 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1x93 h LYS 67 CO 0.07 0.81 -0.51 0.00 -2.27 0.00 0.00 179.45 177.55 1x93 h ALA 68 N 1.25 0.83 0.00 5.00 0.00 -1.01 -3.32 119.26 122.01 1x93 h ALA 68 Ca 0.29 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1x93 h ALA 68 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1x93 h ALA 68 CO -0.05 0.68 -0.13 1.25 0.00 0.00 0.00 179.25 181.00 1x93 h LEU 69 N 0.33 0.00 -2.56 0.00 5.85 -0.27 -1.25 115.31 117.42 1x93 h LEU 69 Ca 0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1x93 h LEU 69 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1x93 h LEU 69 CO 0.09 0.13 0.08 0.03 -0.34 0.00 0.00 178.44 178.43 1x93 h ARG 70 N 0.00 0.00 -0.22 1.25 3.08 -1.59 -3.34 114.38 113.56 1x93 h ARG 70 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1x93 h ARG 70 Cb 0.29 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.15 1x93 h ARG 70 CO 0.02 0.00 -0.52 0.36 -1.07 0.00 0.00 179.97 178.75 1x93 n LYS 71 N -3.48 1.16 -0.31 0.04 2.85 -0.51 -5.02 118.16 112.90 1x93 n LYS 71 Ca -0.02 -2.11 0.15 0.00 -1.05 0.00 0.00 58.31 55.28 1x93 n LYS 71 Cb 0.16 -0.41 0.33 0.00 -0.65 0.00 0.00 35.03 34.46 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1x93 h ILE 72 N 2.26 0.32 0.00 0.58 2.04 -1.58 -3.49 117.51 117.63 1x93 h ILE 72 Ca -0.22 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1x93 h ILE 72 Cb 1.24 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1x93 h ILE 72 CO 0.06 0.04 0.00 1.21 0.00 0.00 0.00 178.15 179.47