#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 0.42 0.63 1.61 0.02 -2.02 0.32 113.55 114.53 2k7y h SER 38 Ca 0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 2k7y h SER 38 Cb 0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2k7y h SER 38 CO 0.00 0.21 -1.48 -0.38 -1.14 0.00 0.00 176.83 174.05 2k7y n ILE 39 N -4.49 1.02 0.11 3.27 5.41 -1.26 -3.21 119.36 120.21 2k7y n ILE 39 Ca 0.15 -0.67 -0.13 0.00 1.00 0.00 0.00 62.75 63.10 2k7y n ILE 39 Cb 0.53 -0.60 -0.08 0.00 -0.71 0.00 0.00 39.64 38.78 2k7y n ILE 39 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k7y h ASP 40 N 0.00 -0.21 0.86 4.38 5.19 -1.14 -2.42 116.42 123.09 2k7y h ASP 40 Ca -0.15 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2k7y h ASP 40 Cb 1.50 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.06 2k7y h ASP 40 CO 0.03 0.05 0.00 -2.11 -3.12 0.00 0.00 179.24 174.09 2k7y n ARG 41 N -5.10 0.15 -0.21 3.56 1.85 0.82 -2.73 116.66 115.00 2k7y n ARG 41 Ca -0.09 0.30 -0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2k7y n ARG 41 Cb 0.20 -1.74 0.23 0.00 -1.05 0.00 0.00 32.46 30.09 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 0.87 -0.99 2.89 5.85 -1.40 -0.55 115.31 121.98 2k7y h LEU 42 Ca 0.00 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2k7y h LEU 42 Cb 0.43 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2k7y h LEU 42 CO 0.00 0.66 -0.39 0.40 -0.34 0.00 0.00 178.44 178.77 2k7y h ILE 43 N 1.01 1.30 -1.04 4.05 2.04 -1.50 -2.58 117.51 120.78 2k7y h ILE 43 Ca 0.26 -1.45 0.27 0.00 1.00 0.00 0.00 64.86 64.94 2k7y h ILE 43 Cb -0.05 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 2k7y h ILE 43 CO -0.05 0.43 0.68 -0.78 0.00 0.00 0.00 178.15 178.43 2k7y h ASP 44 N 0.19 0.39 1.52 1.72 3.58 -1.21 2.21 116.42 124.81 2k7y h ASP 44 Ca 0.02 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 2k7y h ASP 44 Cb 0.77 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2k7y h ASP 44 CO 0.06 0.08 -0.48 0.03 -2.88 0.00 0.00 179.24 176.05 2k7y h ARG 45 N 0.35 0.00 0.00 0.28 -0.00 -1.45 1.45 114.38 115.00 2k7y h ARG 45 Ca 0.58 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.93 2k7y h ARG 45 Cb 1.56 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.51 2k7y h ARG 45 CO -0.25 0.47 -0.98 0.82 0.00 0.00 0.00 179.97 180.02 2k7y h ILE 46 N 0.00 0.60 -0.01 2.04 1.08 0.20 -3.31 117.51 118.12 2k7y h ILE 46 Ca -0.01 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 2k7y h ILE 46 Cb 1.36 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.26 2k7y h ILE 46 CO 0.06 0.34 -0.16 1.07 -0.69 0.00 0.00 178.15 178.77 2k7y n THR 47 N -3.01 0.00 -0.56 -0.27 5.66 0.63 -4.58 114.28 112.15 2k7y n THR 47 Ca -0.04 -0.42 0.46 0.00 -3.05 0.00 0.00 64.05 61.00 2k7y n THR 47 Cb 0.77 1.16 0.72 0.00 -1.55 0.00 0.00 70.33 71.42 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 1.52 0.00 -0.04 1.09 -0.00 0.19 1.63 114.58 118.97 2k7y h GLU 48 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 2k7y h GLU 48 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.15 2k7y h GLU 48 CO 0.00 0.00 0.41 0.07 -0.00 0.00 0.00 179.01 179.49 2k7y h ARG 49 N 0.00 0.00 0.00 1.06 0.11 -1.82 0.68 114.38 114.42 2k7y h ARG 49 Ca 0.80 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.88 2k7y h ARG 49 Cb 3.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.57 2k7y h ARG 49 CO -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 179.97 180.02 2k7y h ALA 50 N 1.22 0.00 0.00 0.08 0.00 0.21 -3.34 119.26 117.43 2k7y h ALA 50 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k7y h ALA 50 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k7y h ALA 50 CO -0.00 0.04 0.21 1.05 0.00 0.00 0.00 179.25 180.56 2k7y h GLU 51 N -0.27 0.00 -0.00 0.00 -0.00 -1.41 0.94 114.58 113.84 2k7y h GLU 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k7y h GLU 51 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.79 2k7y h GLU 51 CO 0.00 0.00 0.04 0.22 -0.00 0.00 0.00 179.01 179.27 2k7y h ASP 52 N 0.00 0.00 0.00 3.06 3.58 0.24 -3.34 116.42 119.96 2k7y h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k7y h ASP 52 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2k7y h ASP 52 CO 0.00 0.00 -0.06 -0.24 -2.88 0.00 0.00 179.24 176.06 2k7y n SER 53 N -3.06 0.06 0.00 2.28 2.88 0.90 -5.08 113.62 111.60 2k7y n SER 53 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2k7y n SER 53 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 1.60 -1.90 0.00 0.46 0.00 0.29 -5.00 105.19 100.64 2k7y n GLY 54 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.29 0.00 -3.80 1.61 5.15 -1.21 -3.42 115.26 113.31 2k7y n ASN 55 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2k7y n ASN 55 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 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 2.42 0.00 1.20 1.02 -1.26 -1.31 120.64 122.71 2k7y n GLU 56 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 2k7y n GLU 56 Cb 0.00 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.21 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 7.06 0.00 -0.17 1.62 2.88 -1.26 -4.94 113.62 118.81 2k7y n SER 57 Ca 0.51 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 2k7y n SER 57 Cb 0.40 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 2k7y n SER 57 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7y n GLU 58 N -1.07 0.46 -0.58 -1.46 4.71 -1.16 -4.94 120.64 116.61 2k7y n GLU 58 Ca 0.00 -0.94 -0.18 0.00 -0.01 0.00 0.00 57.16 56.03 2k7y n GLU 58 Cb 0.00 -0.64 -0.02 0.00 -1.01 0.00 0.00 31.44 29.78 2k7y n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k7y n GLY 59 N -0.17 2.74 0.26 0.62 0.00 -0.43 -3.98 105.19 104.23 2k7y n GLY 59 Ca 0.01 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 2k7y n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k7y n ASP 60 N 4.53 1.69 -0.07 1.61 2.03 -1.26 -4.00 116.55 121.09 2k7y n ASP 60 Ca 0.34 0.29 -0.11 0.00 0.52 0.00 0.00 54.79 55.83 2k7y n ASP 60 Cb 0.11 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 39.71 2k7y n ASP 60 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k7y h GLN 61 N -0.85 -0.00 0.00 -0.67 5.75 -2.02 -3.28 115.11 114.04 2k7y h GLN 61 Ca -0.53 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2k7y h GLN 61 Cb 1.45 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.00 2k7y h GLN 61 CO -0.32 0.79 -0.01 1.05 -2.65 0.00 0.00 178.83 177.68 2k7y h GLU 62 N -1.00 0.00 -1.38 1.69 4.11 -1.85 -2.57 114.58 113.59 2k7y h GLU 62 Ca -0.00 0.00 0.46 0.00 0.07 0.00 0.00 59.36 59.89 2k7y h GLU 62 Cb 0.79 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.92 2k7y h GLU 62 CO 0.00 0.01 0.90 -1.91 0.07 0.00 0.00 179.01 178.09 2k7y n GLU 63 N -3.49 -0.03 -0.03 1.06 4.07 -1.24 0.19 120.64 121.17 2k7y n GLU 63 Ca -0.03 1.16 -0.04 0.00 -0.06 0.00 0.00 57.16 58.20 2k7y n GLU 63 Cb 0.10 -2.34 -0.05 0.00 -0.06 0.00 0.00 31.44 29.09 2k7y n GLU 63 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2k7y n LEU 64 N -4.50 0.58 0.10 4.31 -0.00 -1.01 -4.48 117.00 112.00 2k7y n LEU 64 Ca 0.39 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 56.26 2k7y n LEU 64 Cb 1.54 0.07 -0.08 0.00 -0.00 0.00 0.00 43.42 44.95 2k7y n LEU 64 CO 0.20 0.25 0.66 -1.28 -0.00 0.00 0.00 177.39 177.22 2k7y h SER 65 N 0.00 -0.20 0.00 1.45 0.87 -0.45 -2.04 113.55 113.18 2k7y h SER 65 Ca -0.17 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2k7y h SER 65 Cb 1.37 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2k7y h SER 65 CO 0.00 0.10 0.15 0.00 -0.53 0.00 0.00 176.83 176.55 2k7y h ALA 66 N 0.26 1.13 0.00 6.23 0.00 0.19 1.01 119.26 128.07 2k7y h ALA 66 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2k7y h ALA 66 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k7y h ALA 66 CO 0.04 -0.13 -0.42 1.25 0.00 0.00 0.00 179.25 179.99 2k7y h LEU 67 N 0.00 0.00 0.00 0.00 7.12 -1.43 -1.91 115.31 119.09 2k7y h LEU 67 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k7y h LEU 67 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 2k7y h LEU 67 CO 0.00 0.42 -0.13 0.52 -0.13 0.00 0.00 178.44 179.12 2k7y n VAL 68 N -3.28 0.29 -0.31 1.05 0.31 0.33 -4.45 118.33 112.28 2k7y n VAL 68 Ca 0.02 0.44 0.13 0.00 -0.01 0.00 0.00 64.34 64.91 2k7y n VAL 68 Cb 0.66 -1.68 0.31 0.00 -0.91 0.00 0.00 33.84 32.21 2k7y n VAL 68 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2k7y h GLU 69 N -0.20 0.43 -6.56 5.55 9.09 -1.24 -3.39 114.58 118.25 2k7y h GLU 69 Ca 0.00 -0.03 -0.70 0.00 0.05 0.00 0.00 59.36 58.69 2k7y h GLU 69 Cb 0.13 -0.10 -0.27 0.00 -1.65 0.00 0.00 28.75 26.87 2k7y h GLU 69 CO 0.00 0.28 -0.85 1.03 0.05 0.00 0.00 179.01 179.52 2k7y s ARG 70 N -5.88 2.14 -0.00 1.06 1.81 -0.72 -4.85 118.95 112.50 2k7y s ARG 70 Ca -0.12 -0.92 0.09 0.00 -1.72 0.00 0.00 55.73 53.07 2k7y s ARG 70 Cb 0.25 -2.13 -0.12 0.00 -0.45 0.00 0.00 34.95 32.51 2k7y s ARG 70 CO 0.78 0.56 0.32 0.41 -0.68 0.00 0.00 175.30 176.69 2k7y n GLY 71 N 2.17 -0.07 0.03 -3.53 0.00 -1.26 -3.72 105.19 98.80 2k7y n GLY 71 Ca -0.16 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.45 0.00 -2.66 1.61 -0.00 -1.26 -4.90 115.22 106.56 2k7y n HIS 72 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.63 2k7y n HIS 72 Cb 0.18 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.99 29.86 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 -1.38 -0.70 -3.20 2.39 4.77 -1.26 -4.82 117.00 112.81 2k7y n LEU 73 Ca 0.07 0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 2k7y n LEU 73 Cb 0.33 -1.64 -0.06 0.00 -2.33 0.00 0.00 43.42 39.73 2k7y n LEU 73 CO 0.31 -0.03 -0.14 0.00 -1.33 0.00 0.00 177.39 176.19 2k7y n ALA 74 N -2.57 2.93 0.17 -1.18 0.00 -1.26 -4.89 120.51 113.71 2k7y n ALA 74 Ca -0.06 -3.84 0.04 0.00 0.00 0.00 0.00 53.44 49.58 2k7y n ALA 74 Cb 0.55 -0.85 0.22 0.00 0.00 0.00 0.00 19.45 19.37 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 3.59 0.00 0.08 0.00 0.13 -1.89 1.43 132.00 135.34 2k7y h PRO 75 Ca 0.11 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.87 2k7y h PRO 75 Cb 0.81 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.91 2k7y h PRO 75 CO 0.59 0.44 -2.14 -2.67 -0.23 0.00 0.00 178.00 174.00 2k7y n TRP 76 N -3.42 0.84 0.06 1.56 2.14 -1.26 -4.23 117.44 113.14 2k7y n TRP 76 Ca 0.01 0.19 -0.14 0.00 2.07 0.00 0.00 57.50 59.62 2k7y n TRP 76 Cb 0.60 -1.11 -0.05 0.00 -0.81 0.00 0.00 31.31 29.94 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 0.04 0.57 -7.01 -0.67 3.58 -1.91 -3.47 116.42 107.55 2k7y h ASP 77 Ca -0.47 -0.46 -0.60 0.00 0.42 0.00 0.00 57.03 55.93 2k7y h ASP 77 Cb 2.00 -0.17 -0.11 0.00 1.72 0.00 0.00 39.33 42.77 2k7y h ASP 77 CO 0.03 1.25 -0.97 1.33 -2.88 0.00 0.00 179.24 178.01 2k7y n VAL 78 N -3.76 -1.77 -0.99 2.25 0.24 0.49 -4.80 118.33 109.99 2k7y n VAL 78 Ca -0.07 -0.53 0.07 0.00 -2.04 0.00 0.00 64.34 61.77 2k7y n VAL 78 Cb 0.84 -1.58 0.30 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.40 4.43 -2.91 -1.34 2.03 -1.26 -4.53 116.55 110.57 2k7y n ASP 79 Ca -0.21 -3.03 -0.13 0.00 0.52 0.00 0.00 54.79 51.94 2k7y n ASP 79 Cb 0.61 -0.60 0.04 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.19 -1.15 0.00 1.67 -0.08 -1.26 -5.16 116.55 110.38 2k7y n ASP 80 Ca 0.25 -3.41 0.00 0.00 -1.51 0.00 0.00 54.79 50.12 2k7y n ASP 80 Cb 1.01 0.93 0.00 0.00 2.34 0.00 0.00 41.12 45.41 2k7y n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32