#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loe s THR 2 N 0.00 2.18 -0.05 3.84 -1.32 -1.26 -4.97 115.64 114.06 1loe s THR 2 Ca 0.00 0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.59 1loe s THR 2 Cb 0.00 -3.05 0.01 0.00 -1.51 0.00 0.00 72.50 67.95 1loe s THR 2 CO 0.00 0.01 -0.12 -0.44 -2.21 0.00 0.00 174.62 171.85 1loe s SER 3 N 1.40 1.71 -0.03 8.08 0.01 -1.26 -5.14 113.70 118.47 1loe s SER 3 Ca 0.75 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.80 1loe s SER 3 Cb -0.48 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 1loe s SER 3 CO 0.32 0.07 -0.23 -0.31 0.41 0.00 0.00 173.24 173.50 1loe s TYR 4 N 0.41 2.14 0.05 2.43 1.51 -1.26 -5.13 117.35 117.49 1loe s TYR 4 Ca -0.09 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1loe s TYR 4 Cb -0.13 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1loe s TYR 4 CO 0.03 -0.07 -0.10 0.99 -1.11 0.00 0.00 175.55 175.28 1loe s THR 5 N -0.45 0.74 -0.11 -0.71 2.01 -1.26 -5.15 115.64 110.71 1loe s THR 5 Ca 0.06 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 1loe s THR 5 Cb -0.10 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.69 1loe s THR 5 CO 0.00 -0.29 0.27 -0.22 -0.69 0.00 0.00 174.62 173.69 1loe s LEU 6 N -1.53 0.62 0.02 4.42 2.96 -1.26 -5.17 118.68 118.75 1loe s LEU 6 Ca -0.06 0.56 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1loe s LEU 6 Cb -0.09 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 47.43 1loe s LEU 6 CO 0.01 -0.14 -0.15 0.20 -1.32 0.00 0.00 176.35 174.95 1loe s ASN 7 N 0.79 1.80 -0.02 3.68 0.01 -1.26 -5.15 114.94 114.78 1loe s ASN 7 Ca -0.05 -0.40 -0.20 0.00 -0.71 0.00 0.00 52.86 51.49 1loe s ASN 7 Cb -0.07 -0.15 0.04 0.00 0.41 0.00 0.00 41.25 41.49 1loe s ASN 7 CO -0.05 0.10 0.44 -0.70 -1.51 0.00 0.00 177.10 175.38 1loe s GLU 8 N -0.88 0.81 -0.28 -0.60 2.56 -1.26 -5.11 118.70 113.94 1loe s GLU 8 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.75 1loe s GLU 8 Cb -0.07 0.37 -0.01 0.00 2.00 0.00 0.00 34.13 36.42 1loe s GLU 8 CO 0.01 -0.24 0.66 0.08 -0.56 0.00 0.00 175.26 175.21 1loe s VAL 9 N -1.32 4.93 -0.19 3.70 1.01 -1.26 -5.02 120.40 122.25 1loe s VAL 9 Ca -0.12 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 1loe s VAL 9 Cb -0.03 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1loe s VAL 9 CO 0.06 -0.08 0.02 0.54 0.00 0.00 0.00 175.10 175.64 1loe s VAL 10 N 2.63 0.67 -1.23 2.92 0.11 -1.26 -5.06 120.40 119.17 1loe s VAL 10 Ca 0.27 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 1loe s VAL 10 Cb -0.15 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1loe s VAL 10 CO 0.10 -0.16 1.82 -2.84 -3.33 0.00 0.00 175.10 170.69 1loe s PRO 11 N 1.79 3.32 0.35 1.54 0.02 -1.26 -4.85 135.00 135.90 1loe s PRO 11 Ca -0.01 -1.59 0.13 0.00 0.02 0.00 0.00 61.00 59.56 1loe s PRO 11 Cb -0.17 -5.40 0.99 0.00 0.02 0.00 0.00 34.50 29.94 1loe s PRO 11 CO -0.08 -3.01 1.73 -0.07 -0.33 0.00 0.00 177.00 175.24 1loe h LEU 12 N 14.87 0.58 -0.68 -5.54 3.38 -1.99 -0.78 115.31 125.14 1loe h LEU 12 Ca 0.34 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1loe h LEU 12 Cb 0.91 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1loe h LEU 12 CO 1.35 0.06 0.00 2.29 0.09 0.00 0.00 178.44 182.24 1loe n LYS 13 N -4.82 0.12 0.22 1.13 2.85 -1.26 -0.67 118.16 115.73 1loe n LYS 13 Ca 0.27 0.46 0.12 0.00 -1.05 0.00 0.00 58.31 58.11 1loe n LYS 13 Cb 0.84 -1.79 0.18 0.00 -0.65 0.00 0.00 35.03 33.62 1loe n LYS 13 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1loe h GLU 14 N 0.00 0.00 0.00 -1.58 4.39 -1.55 -3.39 114.58 112.45 1loe h GLU 14 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1loe h GLU 14 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1loe h GLU 14 CO 0.00 0.00 -1.32 1.19 -1.16 0.00 0.00 179.01 177.72 1loe n PHE 15 N -3.07 0.00 -4.18 4.33 3.72 0.16 -5.05 117.46 113.37 1loe n PHE 15 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.21 1loe n PHE 15 Cb 0.52 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 1loe n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1loe s VAL 16 N -2.11 4.05 1.11 -4.37 -7.23 -0.21 -5.11 120.40 106.53 1loe s VAL 16 Ca -0.05 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 1loe s VAL 16 Cb 0.02 -3.15 0.26 0.00 0.56 0.00 0.00 36.38 34.07 1loe s VAL 16 CO 0.16 -0.30 1.05 -2.84 -0.31 0.00 0.00 175.10 172.86 1loe s PRO 17 N -3.58 -0.53 0.22 4.82 0.02 -1.26 -4.75 135.00 129.94 1loe s PRO 17 Ca 0.31 0.98 -0.08 0.00 0.02 0.00 0.00 61.00 62.24 1loe s PRO 17 Cb -0.08 -1.59 0.19 0.00 0.02 0.00 0.00 34.50 33.04 1loe s PRO 17 CO 0.22 -3.50 1.84 0.93 -0.33 0.00 0.00 177.00 176.16 1loe h GLU 18 N -2.47 1.18 -5.76 5.54 5.08 -1.98 -3.41 114.58 112.76 1loe h GLU 18 Ca -0.58 -0.14 -0.66 0.00 -1.00 0.00 0.00 59.36 56.98 1loe h GLU 18 Cb 1.32 -0.23 -0.17 0.00 0.50 0.00 0.00 28.75 30.17 1loe h GLU 18 CO 0.49 0.86 -0.63 -1.58 -1.00 0.00 0.00 179.01 177.14 1loe s TRP 19 N -5.85 3.11 0.05 4.33 0.52 -1.26 -5.12 118.94 114.72 1loe s TRP 19 Ca -0.13 0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 1loe s TRP 19 Cb 0.16 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1loe s TRP 19 CO 0.82 0.30 -0.03 0.14 0.02 0.00 0.00 176.95 178.19 1loe s VAL 20 N -0.44 0.24 0.00 4.03 -7.23 -1.26 -5.14 120.40 110.59 1loe s VAL 20 Ca 0.08 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1loe s VAL 20 Cb -0.12 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 1loe s VAL 20 CO 0.02 -0.95 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.59 1loe s ARG 21 N -3.70 2.32 0.14 4.82 0.52 -1.26 -5.14 118.95 116.65 1loe s ARG 21 Ca 0.05 -0.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 1loe s ARG 21 Cb 0.06 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1loe s ARG 21 CO -0.09 0.58 0.04 0.96 0.02 0.00 0.00 175.30 176.81 1loe s ILE 22 N -0.87 4.04 0.00 1.52 -4.36 -1.26 -5.12 121.20 115.16 1loe s ILE 22 Ca 0.14 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 1loe s ILE 22 Cb -0.11 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.60 1loe s ILE 22 CO 0.04 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1loe n GLY 23 N 0.10 1.23 3.32 6.27 0.00 -1.26 -5.16 105.19 109.69 1loe n GLY 23 Ca -0.10 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1loe n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1loe s PHE 24 N -2.97 1.91 0.01 1.61 0.08 -1.26 -5.15 117.98 112.21 1loe s PHE 24 Ca 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1loe s PHE 24 Cb 0.00 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1loe s PHE 24 CO 0.00 0.26 -0.01 0.45 -0.10 0.00 0.00 175.22 175.81 1loe s SER 25 N -2.06 0.14 -0.02 1.36 0.15 -1.26 -5.17 113.70 106.84 1loe s SER 25 Ca 0.10 -0.15 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 1loe s SER 25 Cb -0.09 0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.25 1loe s SER 25 CO 0.05 -0.08 0.19 0.00 1.20 0.00 0.00 173.24 174.60 1loe s ALA 26 N -0.42 -0.46 0.14 5.45 0.00 -1.26 -5.18 121.76 120.03 1loe s ALA 26 Ca -0.04 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1loe s ALA 26 Cb -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1loe s ALA 26 CO -0.00 -0.19 -0.01 0.95 0.00 0.00 0.00 175.76 176.51 1loe s THR 27 N -1.02 0.55 0.24 0.00 -4.23 -1.26 -5.12 115.64 104.79 1loe s THR 27 Ca -0.11 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1loe s THR 27 Cb -0.06 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 1loe s THR 27 CO 0.02 -0.62 -0.02 0.42 -0.54 0.00 0.00 174.62 173.87 1loe s THR 28 N -3.74 1.21 0.00 3.99 -4.23 -1.26 -4.88 115.64 106.73 1loe s THR 28 Ca 0.19 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1loe s THR 28 Cb 0.06 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1loe s THR 28 CO 0.00 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1loe n GLY 29 N -0.46 4.51 0.30 3.99 0.00 -1.26 -5.01 105.19 107.26 1loe n GLY 29 Ca -0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1loe n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1loe h ALA 30 N 1.00 0.83 -2.78 4.61 0.00 -2.07 -3.42 119.26 117.44 1loe h ALA 30 Ca 0.00 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 1loe h ALA 30 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1loe h ALA 30 CO 0.00 0.67 -0.38 -1.21 0.00 0.00 0.00 179.25 178.33 1loe s GLU 31 N -4.94 3.55 0.25 0.00 2.02 -1.26 -5.11 118.70 113.21 1loe s GLU 31 Ca -0.11 -0.23 -0.09 0.00 0.02 0.00 0.00 54.97 54.56 1loe s GLU 31 Cb 0.13 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 1loe s GLU 31 CO 0.86 0.51 0.41 -0.59 0.02 0.00 0.00 175.26 176.47 1loe s PHE 32 N -1.62 0.63 -0.05 1.61 -0.71 -1.26 -4.79 117.98 111.79 1loe s PHE 32 Ca 0.39 -0.95 -0.29 0.00 -1.04 0.00 0.00 56.93 55.04 1loe s PHE 32 Cb -0.12 0.00 0.11 0.00 -1.21 0.00 0.00 43.02 41.79 1loe s PHE 32 CO 0.26 -0.95 0.90 0.00 -1.34 0.00 0.00 175.22 174.09 1loe s ALA 33 N -3.89 -1.85 0.21 1.99 0.00 -1.26 -5.07 121.76 111.90 1loe s ALA 33 Ca 0.27 1.20 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 1loe s ALA 33 Cb 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 1loe s ALA 33 CO 0.11 -0.55 0.85 0.00 0.00 0.00 0.00 175.76 176.18 1loe s ALA 34 N -2.37 3.38 -0.23 0.00 0.00 -1.26 -4.91 121.76 116.37 1loe s ALA 34 Ca 0.02 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1loe s ALA 34 Cb -0.01 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1loe s ALA 34 CO -0.04 0.25 -0.06 -1.01 0.00 0.00 0.00 175.76 174.89 1loe s HIS 35 N -1.22 2.38 0.08 0.00 3.76 -1.26 -5.11 115.29 113.92 1loe s HIS 35 Ca 0.39 -1.70 0.05 0.00 -0.15 0.00 0.00 55.06 53.65 1loe s HIS 35 Cb -0.24 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1loe s HIS 35 CO 0.28 -0.76 -0.14 -1.21 -0.85 0.00 0.00 174.74 172.06 1loe s GLU 36 N 1.40 0.85 -0.11 1.40 2.02 -1.26 -5.07 118.70 117.94 1loe s GLU 36 Ca -0.05 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 53.96 1loe s GLU 36 Cb -0.18 -0.82 -0.00 0.00 0.10 0.00 0.00 34.13 33.23 1loe s GLU 36 CO -0.07 0.17 -0.23 0.08 0.02 0.00 0.00 175.26 175.24 1loe s VAL 37 N -1.50 2.18 -0.11 2.63 1.01 -1.26 -5.03 120.40 118.33 1loe s VAL 37 Ca 0.00 -0.97 0.16 0.00 0.00 0.00 0.00 61.98 61.17 1loe s VAL 37 Cb -0.09 -1.84 -0.19 0.00 0.00 0.00 0.00 36.38 34.26 1loe s VAL 37 CO 0.02 0.56 0.64 0.18 0.00 0.00 0.00 175.10 176.50 1loe n LEU 38 N 3.55 0.69 -3.60 3.92 4.32 -1.26 -5.01 117.00 119.61 1loe n LEU 38 Ca -0.19 0.31 -0.12 0.00 -0.02 0.00 0.00 56.01 55.99 1loe n LEU 38 Cb 0.53 0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 42.44 1loe n LEU 38 CO 0.28 0.26 0.23 -0.94 -1.22 0.00 0.00 177.39 176.00 1loe s SER 39 N -5.75 -0.36 -0.13 -1.43 1.04 -1.26 -5.17 113.70 100.64 1loe s SER 39 Ca -0.05 -0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 1loe s SER 39 Cb 0.08 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1loe s SER 39 CO 0.82 -0.77 0.32 0.86 0.98 0.00 0.00 173.24 175.45 1loe s TRP 40 N -2.97 -0.43 0.03 5.02 -0.00 -1.26 -5.16 118.94 114.17 1loe s TRP 40 Ca -0.02 0.97 0.06 0.00 -0.00 0.00 0.00 56.10 57.11 1loe s TRP 40 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 33.47 33.59 1loe s TRP 40 CO -0.06 -0.26 -0.17 -0.47 -0.00 0.00 0.00 176.95 175.99 1loe s TYR 41 N 1.13 1.46 -0.07 5.86 5.04 -1.26 -5.16 117.35 124.35 1loe s TYR 41 Ca -0.08 -0.34 -0.07 0.00 -2.44 0.00 0.00 57.07 54.14 1loe s TYR 41 Cb -0.08 -0.88 0.02 0.00 0.35 0.00 0.00 41.96 41.36 1loe s TYR 41 CO -0.09 0.04 0.20 0.12 -1.34 0.00 0.00 175.55 174.49 1loe s PHE 42 N -0.71 -0.20 -0.01 4.97 5.36 -1.26 -5.16 117.98 120.97 1loe s PHE 42 Ca 0.05 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1loe s PHE 42 Cb -0.08 0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.69 1loe s PHE 42 CO 0.01 -0.13 0.02 -1.58 -1.46 0.00 0.00 175.22 172.08 1loe s HIS 43 N -0.05 0.06 0.10 10.12 5.65 -1.26 -5.15 115.29 124.76 1loe s HIS 43 Ca -0.02 0.07 0.03 0.00 0.25 0.00 0.00 55.06 55.39 1loe s HIS 43 Cb -0.02 -0.19 -0.04 0.00 -1.18 0.00 0.00 32.58 31.15 1loe s HIS 43 CO 0.00 -0.07 -0.08 -1.54 -0.65 0.00 0.00 174.74 172.41 1loe s SER 44 N 0.74 1.24 -0.11 9.88 1.04 -1.26 -5.14 113.70 120.08 1loe s SER 44 Ca -0.06 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1loe s SER 44 Cb -0.09 0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.14 1loe s SER 44 CO -0.02 -0.37 0.21 -0.70 0.98 0.00 0.00 173.24 173.34 1loe s GLU 45 N -3.28 0.09 -0.29 4.02 2.56 -1.26 -5.12 118.70 115.42 1loe s GLU 45 Ca 0.08 0.61 -0.05 0.00 0.00 0.00 0.00 54.97 55.62 1loe s GLU 45 Cb 0.01 -0.24 0.02 0.00 2.00 0.00 0.00 34.13 35.92 1loe s GLU 45 CO -0.02 -0.32 0.04 -1.17 -0.56 0.00 0.00 175.26 173.22 1loe s LEU 46 N 2.35 3.72 0.00 2.70 2.96 -1.26 -5.36 118.68 123.78 1loe s LEU 46 Ca 0.03 -0.86 0.06 0.00 -0.22 0.00 0.00 54.13 53.14 1loe s LEU 46 Cb -0.12 -1.80 0.37 0.00 0.50 0.00 0.00 46.19 45.13 1loe s LEU 46 CO -0.07 -0.20 0.83 0.00 -1.32 0.00 0.00 176.35 175.59