#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7y h SER 38 N 0.00 0.72 0.53 1.61 0.02 -2.05 -1.13 113.55 113.25 2k7y h SER 38 Ca 0.00 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 2k7y h SER 38 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2k7y h SER 38 CO 0.00 0.88 -0.26 0.40 -1.14 0.00 0.00 176.83 176.72 2k7y h ILE 39 N 0.54 0.84 -0.19 3.27 2.04 -2.07 -0.02 117.51 121.91 2k7y h ILE 39 Ca 0.11 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 2k7y h ILE 39 Cb 0.54 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2k7y h ILE 39 CO 0.03 0.25 -0.32 0.44 0.00 0.00 0.00 178.15 178.55 2k7y h ASP 40 N 0.00 0.61 -0.42 1.72 3.32 -1.89 -2.94 116.42 116.82 2k7y h ASP 40 Ca -0.00 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 2k7y h ASP 40 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2k7y h ASP 40 CO 0.03 1.03 0.01 -2.11 -1.72 0.00 0.00 179.24 176.48 2k7y n ARG 41 N -4.33 3.71 0.12 3.56 1.85 -0.47 -4.08 116.66 117.03 2k7y n ARG 41 Ca -0.06 -2.23 -0.24 0.00 -1.00 0.00 0.00 57.85 54.32 2k7y n ARG 41 Cb 0.49 -2.04 -0.16 0.00 -1.05 0.00 0.00 32.46 29.70 2k7y n ARG 41 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2k7y h LEU 42 N 2.77 0.76 -1.82 2.89 5.85 -0.81 -3.19 115.31 121.75 2k7y h LEU 42 Ca 0.01 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 57.87 2k7y h LEU 42 Cb 1.58 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2k7y h LEU 42 CO 0.37 1.68 0.45 0.40 -0.34 0.00 0.00 178.44 181.00 2k7y h ILE 43 N 0.05 0.14 -0.24 4.05 5.03 -1.73 0.11 117.51 124.93 2k7y h ILE 43 Ca -0.26 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.54 2k7y h ILE 43 Cb 2.08 0.59 -0.05 0.00 -3.03 0.00 0.00 36.82 36.41 2k7y h ILE 43 CO 0.24 0.00 -0.10 -0.78 -0.68 0.00 0.00 178.15 176.83 2k7y h ASP 44 N 0.00 -0.33 0.00 1.72 3.58 -1.84 1.92 116.42 121.47 2k7y h ASP 44 Ca 0.09 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2k7y h ASP 44 Cb 1.00 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2k7y h ASP 44 CO -0.00 -0.13 0.00 0.54 -2.88 0.00 0.00 179.24 176.77 2k7y n ARG 45 N -5.26 0.93 -0.01 0.28 3.00 0.36 0.12 116.66 116.08 2k7y n ARG 45 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.87 2k7y n ARG 45 Cb 0.18 -1.34 -0.08 0.00 0.00 0.00 0.00 32.46 31.22 2k7y n ARG 45 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2k7y n ILE 46 N -0.84 0.07 0.13 0.55 2.08 0.15 -4.54 119.36 116.96 2k7y n ILE 46 Ca 0.15 -0.25 0.01 0.00 0.56 0.00 0.00 62.75 63.23 2k7y n ILE 46 Cb 0.07 0.15 -0.00 0.00 -0.75 0.00 0.00 39.64 39.11 2k7y n ILE 46 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2k7y n THR 47 N -1.91 0.00 -0.45 1.39 5.66 0.60 -4.67 114.28 114.91 2k7y n THR 47 Ca -0.03 -0.47 0.38 0.00 -3.05 0.00 0.00 64.05 60.88 2k7y n THR 47 Cb 0.32 1.03 0.66 0.00 -1.55 0.00 0.00 70.33 70.80 2k7y n THR 47 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2k7y h GLU 48 N 0.31 0.06 -0.38 1.09 4.11 0.80 1.67 114.58 122.25 2k7y h GLU 48 Ca 0.00 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.54 2k7y h GLU 48 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2k7y h GLU 48 CO 0.00 0.04 0.67 0.07 0.07 0.00 0.00 179.01 179.86 2k7y h ARG 49 N 0.07 0.00 0.53 1.06 -0.00 -1.83 1.60 114.38 115.81 2k7y h ARG 49 Ca 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.79 2k7y h ARG 49 Cb 2.65 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 32.63 2k7y h ARG 49 CO -0.42 0.00 -0.25 0.00 -0.00 0.00 0.00 179.97 179.29 2k7y h ALA 50 N 1.02 -0.71 0.00 0.08 0.00 0.21 -3.27 119.26 116.60 2k7y h ALA 50 Ca 0.18 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2k7y h ALA 50 Cb 1.51 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2k7y h ALA 50 CO -0.00 -0.69 -0.66 1.05 0.00 0.00 0.00 179.25 178.95 2k7y h GLU 51 N -1.13 0.00 -1.97 0.00 4.11 -0.88 -0.26 114.58 114.44 2k7y h GLU 51 Ca -0.07 0.00 0.57 0.00 0.07 0.00 0.00 59.36 59.93 2k7y h GLU 51 Cb 0.59 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 2k7y h GLU 51 CO 0.12 0.66 1.42 0.22 0.07 0.00 0.00 179.01 181.50 2k7y h ASP 52 N 0.00 0.00 0.00 3.06 1.82 0.21 -2.34 116.42 119.17 2k7y h ASP 52 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k7y h ASP 52 Cb 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2k7y h ASP 52 CO 0.09 -0.00 -0.40 -0.24 -1.61 0.00 0.00 179.24 177.07 2k7y n SER 53 N -3.94 0.84 0.00 2.28 2.88 -1.20 -5.02 113.62 109.46 2k7y n SER 53 Ca 0.44 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2k7y n SER 53 Cb 2.02 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 2k7y n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k7y n GLY 54 N 1.74 0.00 5.00 0.46 0.00 -0.88 -4.97 105.19 106.53 2k7y n GLY 54 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k7y n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7y n ASN 55 N 0.00 0.00 -3.54 1.61 5.15 -0.12 -4.77 115.26 113.59 2k7y n ASN 55 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 2k7y n ASN 55 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 2k7y n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k7y n GLU 56 N 0.00 1.01 0.00 1.20 1.02 -1.26 -2.18 120.64 120.43 2k7y n GLU 56 Ca 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 2k7y n GLU 56 Cb 0.00 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 28.69 2k7y n GLU 56 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2k7y n SER 57 N 7.70 0.00 -0.67 1.62 3.41 -1.26 -4.95 113.62 119.47 2k7y n SER 57 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2k7y n SER 57 Cb 0.38 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2k7y n SER 57 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k7y n GLU 58 N -1.83 0.00 -0.58 4.33 4.07 -1.06 -4.97 120.64 120.60 2k7y n GLU 58 Ca 0.00 -1.07 -0.19 0.00 -0.06 0.00 0.00 57.16 55.84 2k7y n GLU 58 Cb 0.00 -0.36 -0.02 0.00 -0.06 0.00 0.00 31.44 31.00 2k7y n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k7y n GLY 59 N 0.08 2.64 1.18 8.31 0.00 -0.93 -3.12 105.19 113.36 2k7y n GLY 59 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k7y n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k7y n ASP 60 N 4.79 0.36 -0.12 1.61 8.00 -1.26 -4.85 116.55 125.09 2k7y n ASP 60 Ca 0.34 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 2k7y n ASP 60 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2k7y n ASP 60 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2k7y h GLN 61 N 0.00 0.59 0.00 -1.24 5.75 -2.00 -3.44 115.11 114.77 2k7y h GLN 61 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2k7y h GLN 61 Cb 0.30 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2k7y h GLN 61 CO 0.00 0.70 0.00 -0.85 -2.65 0.00 0.00 178.83 176.03 2k7y n GLU 62 N -4.54 2.49 0.00 1.69 0.28 -1.26 -3.73 120.64 115.57 2k7y n GLU 62 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 2k7y n GLU 62 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 2k7y n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k7y n GLU 63 N 0.00 0.00 0.00 3.44 2.13 -1.26 -3.10 120.64 121.85 2k7y n GLU 63 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 2k7y n GLU 63 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2k7y n GLU 63 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2k7y n LEU 64 N 0.00 0.89 -0.01 4.31 -0.00 -1.26 -3.88 117.00 117.05 2k7y n LEU 64 Ca 0.00 -0.42 0.06 0.00 -0.00 0.00 0.00 56.01 55.65 2k7y n LEU 64 Cb 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.29 2k7y n LEU 64 CO 0.00 0.22 -0.67 -1.20 -0.00 0.00 0.00 177.39 175.74 2k7y n SER 65 N -1.56 1.99 0.03 1.45 7.64 -1.18 -4.23 113.62 117.76 2k7y n SER 65 Ca 0.04 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.05 2k7y n SER 65 Cb 0.35 1.55 0.43 0.00 -1.01 0.00 0.00 64.21 65.52 2k7y n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k7y n ALA 66 N -1.99 2.66 -0.03 -0.43 0.00 -1.26 -2.55 120.51 116.91 2k7y n ALA 66 Ca -0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 2k7y n ALA 66 Cb 0.38 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 2k7y n ALA 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k7y h LEU 67 N 0.00 0.20 -0.84 0.00 7.12 -1.73 0.42 115.31 120.49 2k7y h LEU 67 Ca 0.00 -0.82 -0.07 0.00 0.13 0.00 0.00 57.88 57.12 2k7y h LEU 67 Cb 0.59 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 2k7y h LEU 67 CO 0.00 1.40 0.10 1.62 -0.13 0.00 0.00 178.44 181.43 2k7y h VAL 68 N -0.66 1.25 0.00 1.05 3.04 -1.73 -3.37 116.25 115.83 2k7y h VAL 68 Ca -0.21 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 2k7y h VAL 68 Cb 1.43 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2k7y h VAL 68 CO -0.01 0.36 0.00 1.21 -1.01 0.00 0.00 177.57 178.12 2k7y n GLU 69 N -4.23 0.00 0.00 4.17 2.13 -1.06 -5.02 120.64 116.63 2k7y n GLU 69 Ca 0.04 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2k7y n GLU 69 Cb 0.27 -0.71 0.00 0.00 0.27 0.00 0.00 31.44 31.27 2k7y n GLU 69 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k7y n ARG 70 N -2.19 3.23 0.00 5.31 5.12 0.14 -4.98 116.66 123.29 2k7y n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2k7y n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k7y n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7y n GLY 71 N 5.00 0.02 0.17 -0.13 0.00 -0.71 -4.21 105.19 105.34 2k7y n GLY 71 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2k7y n GLY 71 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2k7y h HIS 72 N 0.00 0.00 -6.75 1.61 2.07 -1.87 -3.46 115.15 106.75 2k7y h HIS 72 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 2k7y h HIS 72 Cb 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 29.79 2k7y h HIS 72 CO 0.00 0.00 -0.85 1.28 -3.07 0.00 0.00 177.93 175.29 2k7y n LEU 73 N -2.45 -1.71 -3.18 6.12 4.77 -1.26 -4.87 117.00 114.43 2k7y n LEU 73 Ca 0.01 -1.04 -0.23 0.00 -0.03 0.00 0.00 56.01 54.73 2k7y n LEU 73 Cb 0.22 -2.06 -0.05 0.00 -2.33 0.00 0.00 43.42 39.20 2k7y n LEU 73 CO 0.20 0.31 -0.14 0.00 -1.33 0.00 0.00 177.39 176.44 2k7y n ALA 74 N -4.38 2.91 0.14 -1.18 0.00 -1.26 -4.89 120.51 111.85 2k7y n ALA 74 Ca -0.01 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2k7y n ALA 74 Cb 0.53 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.26 2k7y n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k7y h PRO 75 N 3.45 0.00 0.09 0.00 0.13 -1.98 1.51 132.00 135.20 2k7y h PRO 75 Ca 0.11 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.91 2k7y h PRO 75 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2k7y h PRO 75 CO 0.60 0.61 -1.83 -2.67 -0.23 0.00 0.00 178.00 174.48 2k7y n TRP 76 N -3.55 1.17 -0.03 1.56 2.14 -1.26 -4.30 117.44 113.17 2k7y n TRP 76 Ca -0.00 0.30 -0.15 0.00 2.07 0.00 0.00 57.50 59.72 2k7y n TRP 76 Cb 0.67 -1.14 -0.09 0.00 -0.81 0.00 0.00 31.31 29.93 2k7y n TRP 76 CO 0.00 0.00 0.00 0.22 2.07 0.00 0.00 177.69 179.98 2k7y h ASP 77 N -0.21 0.40 -7.08 -0.67 3.58 -1.93 -3.47 116.42 107.04 2k7y h ASP 77 Ca -0.41 -0.64 -0.61 0.00 0.42 0.00 0.00 57.03 55.78 2k7y h ASP 77 Cb 1.85 -0.12 -0.27 0.00 1.72 0.00 0.00 39.33 42.51 2k7y h ASP 77 CO 0.00 0.97 -0.93 1.33 -2.88 0.00 0.00 179.24 177.74 2k7y n VAL 78 N -4.43 -0.74 -0.05 2.25 0.24 0.52 -4.81 118.33 111.31 2k7y n VAL 78 Ca -0.08 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 2k7y n VAL 78 Cb 0.50 -0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 31.89 2k7y n VAL 78 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k7y n ASP 79 N -2.71 1.70 -3.51 -1.34 2.03 -1.26 -4.70 116.55 106.75 2k7y n ASP 79 Ca -0.12 0.27 -0.38 0.00 0.52 0.00 0.00 54.79 55.08 2k7y n ASP 79 Cb 0.59 -0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 2k7y n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2k7y n ASP 80 N -4.18 2.96 0.00 1.67 2.03 -1.26 -5.20 116.55 112.57 2k7y n ASP 80 Ca -0.10 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.62 2k7y n ASP 80 Cb 0.37 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 2k7y n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46