#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fom s SER 44 N 0.00 3.91 -0.04 1.61 0.15 -1.26 -5.01 113.70 113.05 2fom s SER 44 Ca 0.00 -0.31 0.13 0.00 0.70 0.00 0.00 55.95 56.46 2fom s SER 44 Cb 0.00 -0.72 0.44 0.00 -1.71 0.00 0.00 66.02 64.02 2fom s SER 44 CO 0.00 0.30 1.32 0.00 1.20 0.00 0.00 173.24 176.06 2fom n HIS 45 N 1.90 0.82 -3.96 3.44 -0.00 -1.26 -4.90 115.22 111.26 2fom n HIS 45 Ca -0.16 -0.35 -0.29 0.00 -0.00 0.00 0.00 57.72 56.91 2fom n HIS 45 Cb 0.52 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.99 30.36 2fom n HIS 45 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2fom s MET 46 N -1.59 3.30 0.43 -1.40 1.00 -1.26 -5.08 119.30 114.70 2fom s MET 46 Ca 0.32 -0.56 -0.24 0.00 0.00 0.00 0.00 55.69 55.21 2fom s MET 46 Cb 0.19 -2.93 -0.08 0.00 0.00 0.00 0.00 34.83 32.01 2fom s MET 46 CO 0.18 0.57 1.14 -0.51 0.00 0.00 0.00 175.02 176.39 2fom s LEU 47 N -2.75 4.10 0.23 -0.03 1.43 -1.26 -4.92 118.68 115.48 2fom s LEU 47 Ca 0.34 2.25 -0.06 0.00 -1.03 0.00 0.00 54.13 55.63 2fom s LEU 47 Cb -0.12 -4.16 0.21 0.00 0.03 0.00 0.00 46.19 42.16 2fom s LEU 47 CO 0.27 -0.73 1.76 1.05 0.23 0.00 0.00 176.35 178.93 2fom h GLU 48 N 2.35 1.06 -3.48 1.70 -0.00 -1.98 -3.45 114.58 110.79 2fom h GLU 48 Ca -0.49 -0.23 -0.18 0.00 -0.00 0.00 0.00 59.36 58.46 2fom h GLU 48 Cb 1.24 -0.15 -0.25 0.00 -0.00 0.00 0.00 28.75 29.58 2fom h GLU 48 CO 0.61 0.92 -0.55 0.00 -0.00 0.00 0.00 179.01 179.99 2fom s ALA 49 N -5.33 -0.30 -0.65 1.06 0.00 -1.26 -5.09 121.76 110.19 2fom s ALA 49 Ca -0.11 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 2fom s ALA 49 Cb 0.15 -0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.33 2fom s ALA 49 CO 0.83 -0.11 0.62 0.34 0.00 0.00 0.00 175.76 177.44 2fom s ASP 50 N -0.41 6.40 -0.28 0.00 2.15 -1.26 -5.01 116.67 118.25 2fom s ASP 50 Ca -0.05 -2.09 -0.09 0.00 0.43 0.00 0.00 52.55 50.75 2fom s ASP 50 Cb -0.03 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 2fom s ASP 50 CO 0.00 -0.78 0.14 -0.76 -0.17 0.00 0.00 175.17 173.61 2fom s LEU 51 N 1.18 3.88 -0.01 -1.34 1.43 -1.26 -5.08 118.68 117.47 2fom s LEU 51 Ca 0.09 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2fom s LEU 51 Cb -0.22 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2fom s LEU 51 CO -0.01 -0.10 -0.21 -1.61 0.23 0.00 0.00 176.35 174.65 2fom s GLU 52 N 1.67 2.20 0.05 1.70 0.41 -1.26 -5.13 118.70 118.34 2fom s GLU 52 Ca 0.06 -0.88 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2fom s GLU 52 Cb -0.16 -2.18 -0.06 0.00 -1.78 0.00 0.00 34.13 29.96 2fom s GLU 52 CO 0.07 0.57 0.39 -0.51 -0.49 0.00 0.00 175.26 175.29 2fom s LEU 53 N -0.87 4.39 -0.06 1.80 1.43 -1.26 -5.09 118.68 119.02 2fom s LEU 53 Ca 0.12 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2fom s LEU 53 Cb -0.10 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.33 2fom s LEU 53 CO 0.01 0.23 0.02 -0.70 0.23 0.00 0.00 176.35 176.14 2fom s GLU 54 N -1.63 0.35 0.26 1.70 2.12 -1.26 -5.02 118.70 115.22 2fom s GLU 54 Ca 0.29 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 2fom s GLU 54 Cb -0.15 -0.76 -0.09 0.00 0.26 0.00 0.00 34.13 33.40 2fom s GLU 54 CO 0.16 -0.29 1.20 0.50 -0.54 0.00 0.00 175.26 176.29 2fom s ARG 55 N 1.89 4.51 0.00 4.30 3.52 -1.26 -4.93 118.95 126.99 2fom s ARG 55 Ca 0.03 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.58 2fom s ARG 55 Cb -0.12 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2fom s ARG 55 CO -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 175.30 174.44 2fom n ALA 56 N 1.58 1.32 -3.51 6.12 0.00 -1.26 -5.06 120.51 119.71 2fom n ALA 56 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2fom n ALA 56 Cb 0.44 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2fom n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fom s ALA 57 N -1.32 -1.77 0.38 0.00 0.00 -1.26 -4.93 121.76 112.85 2fom s ALA 57 Ca 0.00 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 2fom s ALA 57 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 2fom s ALA 57 CO 0.00 -0.50 1.09 -0.51 0.00 0.00 0.00 175.76 175.84 2fom s ASP 58 N -1.73 6.79 -0.46 0.00 1.01 -1.26 -5.01 116.67 116.01 2fom s ASP 58 Ca -0.04 2.16 -0.25 0.00 0.71 0.00 0.00 52.55 55.13 2fom s ASP 58 Cb -0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.35 2fom s ASP 58 CO 0.00 -0.48 0.90 -0.69 0.21 0.00 0.00 175.17 175.12 2fom s VAL 59 N -1.50 4.50 0.13 -1.27 1.01 -1.26 -4.97 120.40 117.04 2fom s VAL 59 Ca 0.55 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.94 2fom s VAL 59 Cb -0.26 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.77 2fom s VAL 59 CO 0.33 -0.83 0.82 0.00 0.00 0.00 0.00 175.10 175.42 2fom s ARG 60 N 3.68 1.22 0.12 2.72 1.70 -1.26 -5.14 118.95 121.99 2fom s ARG 60 Ca 0.35 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 2fom s ARG 60 Cb -0.11 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2fom s ARG 60 CO 0.25 -0.55 1.00 -0.46 -1.08 0.00 0.00 175.30 174.46 2fom s TRP 61 N -3.45 3.75 -0.37 5.89 -0.11 -1.26 -5.02 118.94 118.37 2fom s TRP 61 Ca 0.08 1.74 -0.13 0.00 1.22 0.00 0.00 56.10 59.01 2fom s TRP 61 Cb -0.02 -3.11 0.01 0.00 -1.50 0.00 0.00 33.47 28.84 2fom s TRP 61 CO -0.03 -0.01 0.25 -1.21 -4.62 0.00 0.00 176.95 171.33 2fom s GLU 62 N 0.01 3.16 0.33 5.86 0.41 -1.26 -4.97 118.70 122.24 2fom s GLU 62 Ca 0.48 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 54.19 2fom s GLU 62 Cb -0.25 -3.84 0.62 0.00 -1.78 0.00 0.00 34.13 28.88 2fom s GLU 62 CO 0.31 -0.61 1.93 0.93 -0.49 0.00 0.00 175.26 177.33 2fom h GLU 63 N 8.53 0.89 -0.16 1.61 3.07 -2.00 -1.56 114.58 124.95 2fom h GLU 63 Ca -0.29 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.47 2fom h GLU 63 Cb 1.13 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2fom h GLU 63 CO 0.68 0.59 -0.13 0.37 -1.40 0.00 0.00 179.01 179.11 2fom h GLN 64 N 0.92 0.25 -0.02 2.33 5.75 -1.96 -2.02 115.11 120.36 2fom h GLN 64 Ca 0.36 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.64 2fom h GLN 64 Cb 0.23 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2fom h GLN 64 CO -0.13 0.40 -0.72 0.00 -2.65 0.00 0.00 178.83 175.73 2fom h ALA 65 N 1.63 0.77 -0.35 3.38 0.00 -1.53 -0.88 119.26 122.27 2fom h ALA 65 Ca 0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2fom h ALA 65 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2fom h ALA 65 CO 0.02 0.84 -0.05 1.49 0.00 0.00 0.00 179.25 181.56 2fom h GLU 66 N 0.07 0.57 0.06 0.00 4.81 -1.12 0.41 114.58 119.39 2fom h GLU 66 Ca -0.02 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2fom h GLU 66 Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2fom h GLU 66 CO 0.10 0.63 -0.03 0.82 -0.73 0.00 0.00 179.01 179.80 2fom h ILE 67 N 0.54 1.24 0.00 2.32 2.04 -0.84 -3.38 117.51 119.43 2fom h ILE 67 Ca 0.11 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2fom h ILE 67 Cb 0.42 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2fom h ILE 67 CO 0.02 0.33 -1.43 -1.54 0.00 0.00 0.00 178.15 175.53 2fom n SER 68 N -4.83 0.46 0.00 1.72 3.41 -0.38 -4.99 113.62 109.01 2fom n SER 68 Ca -0.08 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2fom n SER 68 Cb 0.30 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 2fom n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fom n GLY 69 N 1.34 3.31 3.44 5.00 0.00 0.15 -5.00 105.19 113.43 2fom n GLY 69 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2fom n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fom s SER 70 N -0.58 -0.56 -0.13 1.61 0.15 -1.22 -4.86 113.70 108.10 2fom s SER 70 Ca 0.00 1.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.47 2fom s SER 70 Cb 0.00 1.03 0.05 0.00 -1.71 0.00 0.00 66.02 65.39 2fom s SER 70 CO 0.00 -0.24 0.52 -0.55 1.20 0.00 0.00 173.24 174.17 2fom s SER 71 N 0.09 -0.51 0.42 5.45 0.15 -1.26 -4.54 113.70 113.49 2fom s SER 71 Ca -0.02 0.81 -0.25 0.00 0.70 0.00 0.00 55.95 57.20 2fom s SER 71 Cb -0.04 0.83 -0.08 0.00 -1.71 0.00 0.00 66.02 65.02 2fom s SER 71 CO 0.02 -0.32 1.22 -2.16 1.20 0.00 0.00 173.24 173.19 2fom s PRO 72 N -0.32 3.94 -0.33 5.44 0.04 -1.26 -4.90 135.00 137.61 2fom s PRO 72 Ca -0.05 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2fom s PRO 72 Cb -0.03 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2fom s PRO 72 CO 0.03 -0.45 0.31 0.42 0.04 0.00 0.00 177.00 177.35 2fom s ILE 73 N -1.38 5.22 0.18 0.56 1.01 -1.26 -5.00 121.20 120.52 2fom s ILE 73 Ca 0.59 0.05 -0.33 0.00 0.00 0.00 0.00 60.65 60.95 2fom s ILE 73 Cb -0.33 -3.75 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 2fom s ILE 73 CO 0.41 -0.01 1.55 -0.11 0.00 0.00 0.00 174.94 176.79 2fom n LEU 74 N 5.27 3.14 -4.27 2.97 7.94 -1.26 -4.95 117.00 125.83 2fom n LEU 74 Ca -0.11 1.09 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 2fom n LEU 74 Cb 0.50 -1.43 -0.11 0.00 0.53 0.00 0.00 43.42 42.91 2fom n LEU 74 CO 0.38 -0.31 -0.46 -0.44 -1.11 0.00 0.00 177.39 175.46 2fom s SER 75 N 0.79 2.20 0.41 1.96 0.01 -1.26 -5.04 113.70 112.78 2fom s SER 75 Ca 0.77 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 57.22 2fom s SER 75 Cb -0.67 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 2fom s SER 75 CO 0.40 -0.13 0.04 -0.63 0.41 0.00 0.00 173.24 173.33 2fom s ILE 76 N -2.24 1.36 0.00 1.44 1.01 -1.26 -0.54 121.20 120.98 2fom s ILE 76 Ca 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.77 2fom s ILE 76 Cb -0.04 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2fom s ILE 76 CO 0.04 0.00 0.00 -0.24 0.00 0.00 0.00 174.94 174.74 2fom n SER 85 N -1.01 0.00 -4.73 3.58 2.88 -1.26 -4.62 113.62 108.46 2fom n SER 85 Ca -0.08 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 2fom n SER 85 Cb 0.67 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2fom n SER 85 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2fom s ILE 86 N 0.00 3.58 -0.30 2.46 1.01 -1.26 -4.99 121.20 121.70 2fom s ILE 86 Ca 0.00 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 2fom s ILE 86 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2fom s ILE 86 CO 0.00 0.15 0.35 -0.75 0.00 0.00 0.00 174.94 174.70 2fom s LYS 87 N 0.32 3.85 0.10 2.79 2.20 0.30 -4.94 119.74 124.36 2fom s LYS 87 Ca 0.57 -0.16 0.23 0.00 -0.36 0.00 0.00 55.97 56.25 2fom s LYS 87 Cb -0.33 -3.71 0.07 0.00 -1.51 0.00 0.00 37.83 32.34 2fom s LYS 87 CO 0.34 -0.36 1.05 0.09 -0.36 0.00 0.00 175.35 176.11 2fom n ASN 88 N 5.33 0.64 -3.65 1.43 3.02 -1.26 -4.65 115.26 116.12 2fom n ASN 88 Ca -0.09 0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 2fom n ASN 88 Cb 0.50 0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 40.27 2fom n ASN 88 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2fom s GLU 89 N -3.26 0.72 -0.11 3.52 2.12 -1.26 -5.14 118.70 115.29 2fom s GLU 89 Ca 0.02 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.11 2fom s GLU 89 Cb 0.13 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2fom s GLU 89 CO 0.79 -0.12 0.81 -2.00 -0.54 0.00 0.00 175.26 174.20 2fom s GLU 90 N 0.87 4.38 -0.39 4.30 2.56 -1.26 -5.04 118.70 124.12 2fom s GLU 90 Ca -0.04 1.03 -0.09 0.00 0.00 0.00 0.00 54.97 55.87 2fom s GLU 90 Cb -0.05 -3.52 0.06 0.00 2.00 0.00 0.00 34.13 32.62 2fom s GLU 90 CO -0.07 -0.16 0.21 -1.21 -0.56 0.00 0.00 175.26 173.47 2fom s GLU 91 N 1.54 2.65 0.32 4.30 2.02 -1.26 -4.98 118.70 123.28 2fom s GLU 91 Ca 0.40 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 54.10 2fom s GLU 91 Cb -0.18 -3.70 0.62 0.00 0.10 0.00 0.00 34.13 30.98 2fom s GLU 91 CO 0.16 -0.84 1.90 1.49 0.02 0.00 0.00 175.26 178.00 2fom h GLU 92 N 8.37 0.89 0.00 1.61 4.81 -1.97 -2.92 114.58 125.36 2fom h GLU 92 Ca -0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2fom h GLU 92 Cb 1.09 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2fom h GLU 92 CO 0.70 0.59 0.00 -0.56 -0.73 0.00 0.00 179.01 179.01 2fom h GLN 93 N 0.92 0.00 -6.10 1.92 -0.00 -1.98 -3.43 115.11 106.44 2fom h GLN 93 Ca 0.40 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 58.37 2fom h GLN 93 Cb 0.33 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 27.66 2fom h GLN 93 CO -0.16 0.00 -0.65 0.95 -0.00 0.00 0.00 178.83 178.96 2fom s THR 94 N -3.39 4.04 -0.43 1.86 -4.23 -1.11 -5.06 115.64 107.32 2fom s THR 94 Ca 0.04 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 59.84 2fom s THR 94 Cb 0.09 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2fom s THR 94 CO 0.46 0.51 0.88 -0.22 -0.54 0.00 0.00 174.62 175.71 2fom s LEU 95 N -1.12 4.07 0.00 4.79 2.96 -1.26 -4.88 118.68 123.23 2fom s LEU 95 Ca 0.15 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2fom s LEU 95 Cb -0.11 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2fom s LEU 95 CO 0.05 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.74