#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 3.25 0.11 1.61 3.41 -1.26 -4.34 113.62 116.39 2k7y n SER 38 Ca 0.00 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.57 2k7y n SER 38 Cb 0.00 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 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 3.67 0.00 0.00 -1.33 2.04 -2.04 1.61 117.51 121.46 2k7y h ILE 39 Ca 0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2k7y h ILE 39 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2k7y h ILE 39 CO 0.00 0.00 0.17 0.44 0.00 0.00 0.00 178.15 178.76 2k7y h ASP 40 N -0.99 0.00 0.00 1.72 5.19 -1.94 0.58 116.42 120.99 2k7y h ASP 40 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2k7y h ASP 40 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2k7y h ASP 40 CO 0.06 0.00 -1.77 -1.14 -3.12 0.00 0.00 179.24 173.27 2k7y n ARG 41 N -2.72 0.61 -0.35 3.56 0.00 -1.19 -4.22 116.66 112.35 2k7y n ARG 41 Ca -0.02 -0.16 0.08 0.00 -0.00 0.00 0.00 57.85 57.75 2k7y n ARG 41 Cb 0.21 -1.45 0.25 0.00 0.00 0.00 0.00 32.46 31.47 2k7y n ARG 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2k7y h LEU 42 N 0.00 0.87 -1.45 6.15 7.12 0.80 0.35 115.31 129.15 2k7y h LEU 42 Ca 0.00 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.11 2k7y h LEU 42 Cb 0.83 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 2k7y h LEU 42 CO 0.00 0.44 0.41 0.40 -0.13 0.00 0.00 178.44 179.56 2k7y h ILE 43 N 0.93 1.06 -1.01 4.05 2.04 -1.74 0.08 117.51 122.91 2k7y h ILE 43 Ca 0.50 -0.24 0.26 0.00 1.00 0.00 0.00 64.86 66.38 2k7y h ILE 43 Cb 0.56 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2k7y h ILE 43 CO -0.29 0.13 0.67 -0.78 0.00 0.00 0.00 178.15 177.88 2k7y h ASP 44 N 0.70 0.37 1.55 1.72 1.82 -0.53 2.13 116.42 124.19 2k7y h ASP 44 Ca 0.25 0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.87 2k7y h ASP 44 Cb 0.12 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2k7y h ASP 44 CO -0.07 0.09 -0.45 0.03 -1.61 0.00 0.00 179.24 177.23 2k7y h ARG 45 N 0.34 0.00 0.00 0.28 -0.00 -0.99 1.29 114.38 115.30 2k7y h ARG 45 Ca 0.55 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.89 2k7y h ARG 45 Cb 1.51 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.45 2k7y h ARG 45 CO -0.22 0.39 -1.06 0.82 0.00 0.00 0.00 179.97 179.89 2k7y h ILE 46 N 0.00 0.61 -0.03 2.04 1.08 0.21 -3.31 117.51 118.11 2k7y h ILE 46 Ca -0.01 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.43 2k7y h ILE 46 Cb 1.31 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 2k7y h ILE 46 CO 0.05 0.35 0.00 1.07 -0.69 0.00 0.00 178.15 178.93 2k7y n THR 47 N -3.00 0.05 -0.28 -0.27 5.66 0.61 -4.59 114.28 112.46 2k7y n THR 47 Ca -0.05 -0.52 0.33 0.00 -3.05 0.00 0.00 64.05 60.76 2k7y n THR 47 Cb 0.79 1.18 0.62 0.00 -1.55 0.00 0.00 70.33 71.36 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 1.97 0.00 0.00 1.09 -0.00 0.16 1.76 114.58 119.55 2k7y h GLU 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k7y h GLU 48 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2k7y h GLU 48 CO 0.00 0.00 0.11 0.07 -0.00 0.00 0.00 179.01 179.19 2k7y h ARG 49 N 0.00 0.00 0.00 1.06 0.11 -1.82 0.89 114.38 114.62 2k7y h ARG 49 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 2k7y h ARG 49 Cb 2.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.76 2k7y h ARG 49 CO -0.01 0.00 -0.09 0.00 0.10 0.00 0.00 179.97 179.98 2k7y h ALA 50 N 1.75 0.00 0.00 0.08 0.00 0.24 -3.36 119.26 117.97 2k7y h ALA 50 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k7y h ALA 50 Cb 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k7y h ALA 50 CO 0.00 0.09 -0.07 1.05 0.00 0.00 0.00 179.25 180.31 2k7y h GLU 51 N -0.65 0.00 -1.70 0.00 4.11 -1.55 -0.75 114.58 114.04 2k7y h GLU 51 Ca 0.00 0.00 0.52 0.00 0.07 0.00 0.00 59.36 59.95 2k7y h GLU 51 Cb 0.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 2k7y h GLU 51 CO 0.00 0.07 1.18 0.22 0.07 0.00 0.00 179.01 180.56 2k7y h ASP 52 N 0.00 0.08 0.00 3.06 3.58 0.65 -3.01 116.42 120.79 2k7y h ASP 52 Ca -0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2k7y h ASP 52 Cb 0.18 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2k7y h ASP 52 CO 0.01 -0.09 -0.15 -1.20 -2.88 0.00 0.00 179.24 174.93 2k7y n SER 53 N -4.25 0.41 0.00 2.28 7.64 -0.91 -5.02 113.62 113.77 2k7y n SER 53 Ca 0.41 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2k7y n SER 53 Cb 1.78 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 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 2.34 0.00 4.70 0.23 0.00 -1.08 -4.98 105.19 106.40 2k7y n GLY 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.33 -4.80 115.26 113.34 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 -2.08 120.64 120.53 2k7y n GLU 56 Ca 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 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 0.45 1.18 0.00 0.00 177.13 178.76 2k7y n SER 57 N 7.70 0.00 -0.46 1.62 2.88 -1.26 -4.95 113.62 119.14 2k7y n SER 57 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2k7y n SER 57 Cb 0.38 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.84 0.00 -0.56 -1.46 0.00 -1.08 -4.97 120.64 110.73 2k7y n GLU 58 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 57.16 56.27 2k7y n GLU 58 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 31.44 31.05 2k7y n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k7y n GLY 59 N 0.00 2.74 0.66 8.31 0.00 -0.88 -3.29 105.19 112.73 2k7y n GLY 59 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 4.31 1.36 0.15 1.61 8.00 -1.26 -4.54 116.55 126.18 2k7y n ASP 60 Ca 0.34 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 2k7y n ASP 60 Cb 0.11 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.45 0.00 -1.24 5.75 -2.01 -3.17 115.11 113.99 2k7y h GLN 61 Ca 0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2k7y h GLN 61 Cb 0.68 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2k7y h GLN 61 CO 0.00 -0.20 -0.01 1.05 -2.65 0.00 0.00 178.83 177.03 2k7y h GLU 62 N -1.06 0.00 -1.08 1.69 4.11 -1.90 -0.13 114.58 116.21 2k7y h GLU 62 Ca -0.05 0.00 0.29 0.00 0.07 0.00 0.00 59.36 59.68 2k7y h GLU 62 Cb 0.45 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2k7y h GLU 62 CO 0.08 0.01 0.69 1.49 0.07 0.00 0.00 179.01 181.34 2k7y h GLU 63 N 0.00 0.34 0.00 1.06 4.81 -1.79 1.61 114.58 120.61 2k7y h GLU 63 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k7y h GLU 63 Cb 0.02 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2k7y h GLU 63 CO 0.00 0.22 -0.66 1.47 -0.73 0.00 0.00 179.01 179.31 2k7y n LEU 64 N -4.66 0.17 -0.07 1.64 -0.00 -0.74 -4.42 117.00 108.92 2k7y n LEU 64 Ca 0.28 -0.31 -0.10 0.00 -0.00 0.00 0.00 56.01 55.88 2k7y n LEU 64 Cb 0.97 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.33 2k7y n LEU 64 CO 0.24 0.04 -0.17 -1.28 -0.00 0.00 0.00 177.39 176.22 2k7y h SER 65 N 0.00 0.00 0.00 1.45 0.87 0.75 -3.32 113.55 113.29 2k7y h SER 65 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2k7y h SER 65 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2k7y h SER 65 CO 0.00 0.92 0.11 0.00 -0.53 0.00 0.00 176.83 177.34 2k7y h ALA 66 N -0.69 1.10 -0.14 6.23 0.00 0.20 1.03 119.26 126.99 2k7y h ALA 66 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k7y h ALA 66 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k7y h ALA 66 CO -0.05 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.38 2k7y n LEU 67 N -2.66 0.94 -0.02 0.00 7.99 -1.21 -1.48 117.00 120.56 2k7y n LEU 67 Ca -0.02 -0.44 -0.03 0.00 -0.01 0.00 0.00 56.01 55.51 2k7y n LEU 67 Cb 0.16 -0.09 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 2k7y n LEU 67 CO 0.14 0.22 -0.64 0.52 -1.51 0.00 0.00 177.39 176.12 2k7y n VAL 68 N -0.07 0.24 -0.02 4.08 0.31 0.35 -4.93 118.33 118.30 2k7y n VAL 68 Ca 0.10 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2k7y n VAL 68 Cb 0.18 -0.66 -0.01 0.00 -0.91 0.00 0.00 33.84 32.43 2k7y n VAL 68 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k7y n GLU 69 N -2.63 0.18 0.00 5.55 -0.58 -0.99 -5.04 120.64 117.12 2k7y n GLU 69 Ca -0.07 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2k7y n GLU 69 Cb 0.58 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 2k7y n GLU 69 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k7y n ARG 70 N -3.36 -0.21 0.00 3.49 5.12 -0.55 -4.97 116.66 116.18 2k7y n ARG 70 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2k7y n ARG 70 Cb 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 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 0.00 0.01 0.11 -0.13 0.00 -1.24 -4.70 105.19 99.25 2k7y n GLY 71 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.70 -4.37 1.61 -0.00 -1.26 -4.85 115.22 107.05 2k7y n HIS 72 Ca 0.00 0.28 -0.38 0.00 -0.00 0.00 0.00 57.72 57.62 2k7y n HIS 72 Cb 0.00 -0.95 -0.06 0.00 -0.00 0.00 0.00 29.99 28.98 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 -2.14 -1.23 -3.19 2.39 4.77 -1.26 -4.84 117.00 111.49 2k7y n LEU 73 Ca 0.02 -1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 54.61 2k7y n LEU 73 Cb 0.21 -1.80 -0.05 0.00 -2.33 0.00 0.00 43.42 39.44 2k7y n LEU 73 CO 0.18 0.23 -0.13 0.00 -1.33 0.00 0.00 177.39 176.34 2k7y n ALA 74 N -4.26 2.99 0.12 -1.18 0.00 -1.26 -4.89 120.51 112.02 2k7y n ALA 74 Ca 0.02 -3.88 -0.03 0.00 0.00 0.00 0.00 53.44 49.56 2k7y n ALA 74 Cb 0.51 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 19.19 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 3.52 0.00 0.03 0.00 0.13 -1.96 1.51 132.00 135.22 2k7y h PRO 75 Ca 0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.95 2k7y h PRO 75 Cb 0.80 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2k7y h PRO 75 CO 0.60 0.72 -1.66 0.11 -0.23 0.00 0.00 178.00 177.55 2k7y h TRP 76 N 0.00 0.10 0.00 1.56 0.09 -1.90 -3.40 115.95 112.40 2k7y h TRP 76 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 58.89 58.90 2k7y h TRP 76 Cb 1.31 -0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.55 2k7y h TRP 76 CO 0.00 1.13 -0.10 0.22 0.09 0.00 0.00 178.44 179.79 2k7y h ASP 77 N 0.02 0.00 0.00 0.11 3.58 -1.91 -3.46 116.42 114.75 2k7y h ASP 77 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2k7y h ASP 77 Cb 1.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.04 2k7y h ASP 77 CO 0.09 0.40 0.00 0.52 -2.88 0.00 0.00 179.24 177.37 2k7y n VAL 78 N -3.93 0.00 -2.43 2.25 0.31 0.52 -4.55 118.33 110.49 2k7y n VAL 78 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2k7y n VAL 78 Cb 0.05 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2k7y n VAL 78 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k7y n ASP 79 N 1.47 -2.56 0.00 4.52 5.68 -1.26 -4.28 116.55 120.12 2k7y n ASP 79 Ca 0.00 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 2k7y n ASP 79 Cb 0.00 -2.25 0.00 0.00 -1.14 0.00 0.00 41.12 37.73 2k7y n ASP 79 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k7y n ASP 80 N -1.62 -0.26 0.00 -1.12 8.00 -1.26 -5.27 116.55 115.02 2k7y n ASP 80 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2k7y n ASP 80 Cb 0.55 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 2k7y n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81