#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7y n SER 38 N 0.00 0.00 0.28 1.61 3.41 -1.26 -4.92 113.62 112.74 2k7y n SER 38 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 2k7y n SER 38 Cb 0.00 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 64.82 2k7y n SER 38 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2k7y h ILE 39 N 0.00 0.00 -0.20 -1.33 1.08 -2.05 1.61 117.51 116.62 2k7y h ILE 39 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2k7y h ILE 39 Cb 0.00 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2k7y h ILE 39 CO 0.00 0.00 -0.25 -0.78 -0.69 0.00 0.00 178.15 176.43 2k7y h ASP 40 N 0.00 0.37 0.00 1.72 3.58 -2.00 -3.11 116.42 116.99 2k7y h ASP 40 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2k7y h ASP 40 Cb 0.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k7y h ASP 40 CO 0.00 0.62 -0.80 -2.11 -2.88 0.00 0.00 179.24 174.07 2k7y n ARG 41 N -4.14 2.60 0.07 0.28 1.85 0.14 -4.41 116.66 113.04 2k7y n ARG 41 Ca -0.01 -0.03 0.04 0.00 -1.00 0.00 0.00 57.85 56.85 2k7y n ARG 41 Cb 0.38 -1.01 0.44 0.00 -1.05 0.00 0.00 32.46 31.23 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 0.00 0.34 0.00 2.89 7.12 0.21 -0.95 115.31 124.94 2k7y h LEU 42 Ca 0.00 -0.03 -0.22 0.00 0.13 0.00 0.00 57.88 57.76 2k7y h LEU 42 Cb 0.27 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 2k7y h LEU 42 CO 0.00 0.31 -1.05 0.40 -0.13 0.00 0.00 178.44 177.98 2k7y h ILE 43 N 0.39 1.65 -1.06 4.05 2.04 -1.77 -3.21 117.51 119.60 2k7y h ILE 43 Ca 0.10 -3.29 0.28 0.00 1.00 0.00 0.00 64.86 62.95 2k7y h ILE 43 Cb 0.07 2.84 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 2k7y h ILE 43 CO -0.01 0.94 0.69 -0.78 0.00 0.00 0.00 178.15 179.00 2k7y h ASP 44 N 0.02 0.39 1.36 1.72 3.58 -1.38 2.15 116.42 124.26 2k7y h ASP 44 Ca -0.04 0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2k7y h ASP 44 Cb 1.79 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.85 2k7y h ASP 44 CO 0.15 0.06 -0.55 0.03 -2.88 0.00 0.00 179.24 176.05 2k7y h ARG 45 N 0.33 0.00 0.00 0.28 -0.00 -1.54 1.45 114.38 114.90 2k7y h ARG 45 Ca 0.60 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.96 2k7y h ARG 45 Cb 1.64 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.59 2k7y h ARG 45 CO -0.27 0.55 -0.92 0.82 0.00 0.00 0.00 179.97 180.15 2k7y h ILE 46 N 0.00 0.65 -0.01 2.04 1.08 0.22 -3.29 117.51 118.20 2k7y h ILE 46 Ca -0.01 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 2k7y h ILE 46 Cb 1.38 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 2k7y h ILE 46 CO 0.07 0.37 -0.09 1.07 -0.69 0.00 0.00 178.15 178.89 2k7y n THR 47 N -3.05 0.00 -0.56 -0.27 5.66 0.60 -4.57 114.28 112.09 2k7y n THR 47 Ca -0.03 -0.46 0.47 0.00 -3.05 0.00 0.00 64.05 60.98 2k7y n THR 47 Cb 0.77 1.21 0.80 0.00 -1.55 0.00 0.00 70.33 71.55 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 1.95 0.00 -0.53 1.09 -0.00 0.19 1.63 114.58 118.91 2k7y h GLU 48 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 59.36 59.51 2k7y h GLU 48 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.19 2k7y h GLU 48 CO 0.00 0.00 0.43 0.07 -0.00 0.00 0.00 179.01 179.51 2k7y h ARG 49 N 0.00 0.00 0.14 1.06 0.11 -1.82 0.93 114.38 114.81 2k7y h ARG 49 Ca 0.80 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.87 2k7y h ARG 49 Cb 3.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.31 2k7y h ARG 49 CO -0.01 0.00 -0.07 0.00 0.10 0.00 0.00 179.97 179.99 2k7y h ALA 50 N 1.64 -0.44 0.00 0.08 0.00 0.21 -3.19 119.26 117.56 2k7y h ALA 50 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k7y h ALA 50 Cb 1.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k7y h ALA 50 CO -0.00 -0.43 0.00 -0.85 0.00 0.00 0.00 179.25 177.97 2k7y n GLU 51 N -3.14 0.12 -0.91 0.00 0.28 -0.93 0.48 120.64 116.54 2k7y n GLU 51 Ca -0.02 0.60 -0.14 0.00 -0.16 0.00 0.00 57.16 57.44 2k7y n GLU 51 Cb 0.08 -1.87 -0.01 0.00 1.43 0.00 0.00 31.44 31.06 2k7y n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k7y n ASP 52 N -2.12 6.04 0.00 -1.84 9.92 0.32 -3.86 116.55 125.01 2k7y n ASP 52 Ca -0.01 -2.85 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 2k7y n ASP 52 Cb 0.04 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.37 2k7y n ASP 52 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2k7y n SER 53 N 0.99 0.00 0.00 -2.24 7.64 -0.94 -4.92 113.62 114.14 2k7y n SER 53 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2k7y n SER 53 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2k7y n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k7y n GLY 54 N 0.00 -0.07 0.00 0.23 0.00 0.18 -4.93 105.19 100.60 2k7y n GLY 54 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.78 1.61 5.15 -0.59 -3.98 115.26 116.67 2k7y n ASN 55 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 2k7y n ASN 55 Cb 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.39 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 2.07 0.00 1.20 1.02 -1.26 -3.13 120.64 120.54 2k7y n GLU 56 Ca 0.00 -1.08 0.07 0.00 -0.02 0.00 0.00 57.16 56.13 2k7y n GLU 56 Cb 0.00 -1.52 0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2k7y n GLU 56 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k7y n SER 57 N 0.26 2.17 0.04 1.62 2.88 -1.26 -4.69 113.62 114.64 2k7y n SER 57 Ca 0.10 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 2k7y n SER 57 Cb 0.43 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2k7y n SER 57 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k7y n GLU 58 N 0.76 0.00 -2.54 -1.46 2.13 -1.20 -5.02 120.64 113.31 2k7y n GLU 58 Ca 0.08 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.74 2k7y n GLU 58 Cb 0.36 -0.41 0.02 0.00 0.27 0.00 0.00 31.44 31.68 2k7y n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k7y n GLY 59 N 2.95 0.08 0.00 8.31 0.00 -1.18 -4.83 105.19 110.53 2k7y n GLY 59 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.65 0.00 -0.23 1.61 8.00 -1.26 -4.97 116.55 120.35 2k7y n ASP 60 Ca -0.04 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.43 2k7y n ASP 60 Cb 0.41 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.73 0.00 -1.24 5.75 -2.00 -3.42 115.11 114.92 2k7y h GLN 61 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2k7y h GLN 61 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.39 2k7y h GLN 61 CO 0.00 0.48 0.00 -0.85 -2.65 0.00 0.00 178.83 175.81 2k7y n GLU 62 N -4.73 2.12 0.00 1.69 0.28 -1.26 -3.45 120.64 115.28 2k7y n GLU 62 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2k7y n GLU 62 Cb 0.11 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.98 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 -2.97 120.64 121.98 2k7y n GLU 63 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2k7y n GLU 63 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 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 1.07 -0.01 4.31 -0.00 -1.26 -4.01 117.00 117.10 2k7y n LEU 64 Ca 0.00 -0.56 0.05 0.00 -0.00 0.00 0.00 56.01 55.50 2k7y n LEU 64 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2k7y n LEU 64 CO 0.00 0.24 -0.64 -1.20 -0.00 0.00 0.00 177.39 175.79 2k7y n SER 65 N -1.10 2.51 0.04 1.45 7.64 -1.16 -4.18 113.62 118.82 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 0.30 1.47 0.36 0.00 -1.01 0.00 0.00 64.21 65.34 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 -1.90 2.77 0.39 -0.43 0.00 -1.26 -2.59 120.51 117.50 2k7y n ALA 66 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.34 2k7y n ALA 66 Cb 0.30 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 2k7y n ALA 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k7y n LEU 67 N -1.84 0.51 0.00 0.00 -0.00 -1.26 -3.26 117.00 111.15 2k7y n LEU 67 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2k7y n LEU 67 Cb 0.39 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2k7y n LEU 67 CO 0.32 0.03 0.00 0.52 -0.00 0.00 0.00 177.39 178.26 2k7y n VAL 68 N -2.08 0.00 0.07 1.96 0.31 -1.19 -4.74 118.33 112.66 2k7y n VAL 68 Ca 0.00 0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.64 2k7y n VAL 68 Cb 0.48 -1.14 -0.01 0.00 -0.91 0.00 0.00 33.84 32.25 2k7y n VAL 68 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k7y h GLU 69 N 0.00 -0.17 0.00 5.55 4.39 -1.75 -3.45 114.58 119.16 2k7y h GLU 69 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k7y h GLU 69 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k7y h GLU 69 CO 0.00 -0.11 0.00 0.54 -1.16 0.00 0.00 179.01 178.28 2k7y n ARG 70 N -2.49 0.41 0.00 2.33 5.12 -1.23 -5.00 116.66 115.81 2k7y n ARG 70 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2k7y n ARG 70 Cb 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 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 2.57 0.22 0.00 -0.13 0.00 -1.20 -4.54 105.19 102.10 2k7y n GLY 71 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2k7y n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k7y n HIS 72 N 0.00 0.00 -3.04 1.61 -0.00 -1.26 -4.83 115.22 107.70 2k7y n HIS 72 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2k7y n HIS 72 Cb 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 29.55 2k7y n HIS 72 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k7y n LEU 73 N -1.42 -0.22 -3.25 2.39 4.77 -1.26 -4.78 117.00 113.22 2k7y n LEU 73 Ca 0.06 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2k7y n LEU 73 Cb 0.20 -1.16 -0.07 0.00 -2.33 0.00 0.00 43.42 40.06 2k7y n LEU 73 CO 0.17 0.03 -0.12 0.00 -1.33 0.00 0.00 177.39 176.13 2k7y n ALA 74 N -2.91 3.16 0.06 -1.18 0.00 -1.26 -4.90 120.51 113.48 2k7y n ALA 74 Ca 0.03 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.34 2k7y n ALA 74 Cb 0.49 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 3.88 0.44 0.07 0.00 0.13 -1.86 -1.23 132.00 133.43 2k7y h PRO 75 Ca 0.12 -0.43 -0.26 0.00 -0.87 0.00 0.00 66.00 64.56 2k7y h PRO 75 Cb 0.78 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 2k7y h PRO 75 CO 0.63 1.08 -1.28 0.11 -0.23 0.00 0.00 178.00 178.31 2k7y h TRP 76 N 0.27 0.27 -2.14 1.56 0.09 -1.85 -3.33 115.95 110.82 2k7y h TRP 76 Ca -0.06 -0.20 -0.67 0.00 0.09 0.00 0.00 58.89 58.05 2k7y h TRP 76 Cb 1.49 -0.01 -0.37 0.00 0.08 0.00 0.00 29.16 30.35 2k7y h TRP 76 CO 0.06 1.19 -0.04 -3.47 0.09 0.00 0.00 178.44 176.26 2k7y n ASP 77 N -3.40 5.59 0.09 0.11 -0.08 -1.21 -4.75 116.55 112.89 2k7y n ASP 77 Ca -0.08 -3.71 0.09 0.00 -1.51 0.00 0.00 54.79 49.58 2k7y n ASP 77 Cb 1.00 -0.76 0.41 0.00 2.34 0.00 0.00 41.12 44.11 2k7y n ASP 77 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2k7y n VAL 78 N -0.26 1.04 -0.16 5.18 0.31 -0.47 -2.10 118.33 121.87 2k7y n VAL 78 Ca 0.39 0.36 -0.09 0.00 -0.01 0.00 0.00 64.34 64.99 2k7y n VAL 78 Cb 0.38 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 2k7y n VAL 78 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2k7y h ASP 79 N 0.00 0.67 -0.23 4.52 3.58 -1.85 -3.22 116.42 119.88 2k7y h ASP 79 Ca 0.00 -0.19 -0.71 0.00 0.42 0.00 0.00 57.03 56.55 2k7y h ASP 79 Cb 0.23 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2k7y h ASP 79 CO 0.00 0.68 3.02 0.47 -2.88 0.00 0.00 179.24 180.53 2k7y n ASP 80 N -4.55 4.58 -0.40 2.28 8.00 -0.89 -5.25 116.55 120.31 2k7y n ASP 80 Ca 0.01 -2.86 0.05 0.00 0.71 0.00 0.00 54.79 52.70 2k7y n ASP 80 Cb 0.17 -1.62 0.04 0.00 -0.02 0.00 0.00 41.12 39.70 2k7y n ASP 80 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70