#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1log s THR 2 N 0.00 1.79 0.11 6.31 -1.32 -1.26 -5.13 115.64 116.15 1log s THR 2 Ca 0.00 -0.79 0.07 0.00 -1.21 0.00 0.00 61.69 59.76 1log s THR 2 Cb 0.00 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 1log s THR 2 CO 0.00 0.50 -0.07 -0.44 -2.21 0.00 0.00 174.62 172.40 1log s SER 3 N 1.18 4.55 -0.01 8.08 0.01 -1.26 -5.14 113.70 121.11 1log s SER 3 Ca -0.00 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.95 1log s SER 3 Cb -0.14 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1log s SER 3 CO -0.07 0.16 -0.17 -0.31 0.41 0.00 0.00 173.24 173.26 1log s TYR 4 N -1.31 1.54 0.02 2.43 1.51 -1.26 -5.16 117.35 115.12 1log s TYR 4 Ca 0.23 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1log s TYR 4 Cb -0.11 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1log s TYR 4 CO 0.15 -0.02 -0.03 0.99 -1.11 0.00 0.00 175.55 175.53 1log s THR 5 N -0.44 0.14 -0.13 -0.71 2.01 -1.26 -5.15 115.64 110.10 1log s THR 5 Ca 0.06 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1log s THR 5 Cb -0.07 -0.37 0.05 0.00 0.01 0.00 0.00 72.50 72.12 1log s THR 5 CO -0.00 -0.53 0.33 -0.22 -0.69 0.00 0.00 174.62 173.50 1log s LEU 6 N -1.58 0.36 -0.00 4.42 2.96 -1.26 -5.16 118.68 118.42 1log s LEU 6 Ca -0.14 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1log s LEU 6 Cb -0.09 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.66 1log s LEU 6 CO -0.02 -0.16 -0.10 0.20 -1.32 0.00 0.00 176.35 174.96 1log s ASN 7 N 0.94 1.18 0.02 3.68 0.01 -1.26 -5.16 114.94 114.36 1log s ASN 7 Ca -0.06 -0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 51.79 1log s ASN 7 Cb -0.07 -0.12 -0.00 0.00 0.41 0.00 0.00 41.25 41.47 1log s ASN 7 CO -0.07 0.10 0.14 -0.70 -1.51 0.00 0.00 177.10 175.06 1log s GLU 8 N -0.39 0.56 -0.33 -0.60 2.56 -1.26 -5.12 118.70 114.13 1log s GLU 8 Ca 0.03 -0.55 -0.24 0.00 0.00 0.00 0.00 54.97 54.21 1log s GLU 8 Cb -0.04 0.23 0.01 0.00 2.00 0.00 0.00 34.13 36.32 1log s GLU 8 CO -0.00 -0.14 0.84 0.08 -0.56 0.00 0.00 175.26 175.48 1log s VAL 9 N -1.99 4.71 -0.18 3.70 1.01 -1.26 -5.02 120.40 121.37 1log s VAL 9 Ca -0.10 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 1log s VAL 9 Cb -0.04 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.17 1log s VAL 9 CO -0.01 -0.37 -0.00 0.54 0.00 0.00 0.00 175.10 175.26 1log s VAL 10 N 3.15 0.80 -1.08 2.92 0.11 -1.26 -5.06 120.40 119.99 1log s VAL 10 Ca 0.35 -0.61 -0.22 0.00 -2.93 0.00 0.00 61.98 58.56 1log s VAL 10 Cb -0.13 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 1log s VAL 10 CO 0.15 -0.07 1.67 -2.16 -3.33 0.00 0.00 175.10 171.36 1log s PRO 11 N 1.74 3.35 0.39 1.54 0.04 -1.26 -4.85 135.00 135.95 1log s PRO 11 Ca -0.01 -1.16 0.15 0.00 0.04 0.00 0.00 61.00 60.01 1log s PRO 11 Cb -0.16 -5.33 0.99 0.00 0.04 0.00 0.00 34.50 30.04 1log s PRO 11 CO -0.07 -2.66 1.84 -0.07 0.04 0.00 0.00 177.00 176.07 1log h LEU 12 N 14.33 0.51 -0.18 -3.56 3.38 -1.99 -0.14 115.31 127.66 1log h LEU 12 Ca 0.24 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1log h LEU 12 Cb 0.97 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1log h LEU 12 CO 1.37 0.20 0.00 2.29 0.09 0.00 0.00 178.44 182.39 1log n LYS 13 N -4.57 0.04 0.11 1.13 2.85 -1.26 -0.72 118.16 115.74 1log n LYS 13 Ca 0.20 0.35 0.13 0.00 -1.05 0.00 0.00 58.31 57.94 1log n LYS 13 Cb 0.66 -1.58 0.35 0.00 -0.65 0.00 0.00 35.03 33.82 1log n LYS 13 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1log h GLU 14 N 0.00 0.00 0.00 -1.58 4.39 -1.42 -3.41 114.58 112.55 1log h GLU 14 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1log h GLU 14 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1log h GLU 14 CO 0.00 0.00 -1.40 1.19 -1.16 0.00 0.00 179.01 177.64 1log n PHE 15 N -2.34 0.00 -3.76 4.33 3.72 0.10 -5.07 117.46 114.44 1log n PHE 15 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 1log n PHE 15 Cb 0.44 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1log n PHE 15 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1log s VAL 16 N -2.14 5.09 1.19 -4.37 -7.23 -0.94 -5.11 120.40 106.89 1log s VAL 16 Ca -0.10 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 1log s VAL 16 Cb 0.03 -3.81 0.28 0.00 0.56 0.00 0.00 36.38 33.43 1log s VAL 16 CO 0.15 -0.37 1.05 -2.84 -0.31 0.00 0.00 175.10 172.78 1log s PRO 17 N -4.09 -1.08 0.24 4.82 0.02 -1.26 -4.83 135.00 128.82 1log s PRO 17 Ca 0.37 0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.70 1log s PRO 17 Cb -0.09 -1.58 0.28 0.00 0.02 0.00 0.00 34.50 33.13 1log s PRO 17 CO 0.31 -3.70 1.63 0.93 -0.33 0.00 0.00 177.00 175.85 1log h GLU 18 N -2.58 0.51 -5.83 5.54 5.08 -1.99 -3.42 114.58 111.89 1log h GLU 18 Ca -0.51 -0.24 -0.67 0.00 -1.00 0.00 0.00 59.36 56.93 1log h GLU 18 Cb 1.32 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 1log h GLU 18 CO 0.43 0.81 -0.70 -1.58 -1.00 0.00 0.00 179.01 176.97 1log s TRP 19 N -4.29 2.94 0.08 4.33 0.52 -1.26 -5.12 118.94 116.14 1log s TRP 19 Ca -0.07 -0.14 0.00 0.00 0.02 0.00 0.00 56.10 55.91 1log s TRP 19 Cb 0.13 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1log s TRP 19 CO 0.81 0.17 -0.03 0.14 0.02 0.00 0.00 176.95 178.06 1log s VAL 20 N -0.37 0.41 0.02 4.03 -7.23 -1.26 -5.14 120.40 110.86 1log s VAL 20 Ca 0.05 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1log s VAL 20 Cb -0.12 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1log s VAL 20 CO 0.02 -0.87 -0.11 -0.13 -0.31 0.00 0.00 175.10 173.69 1log s ARG 21 N -3.90 2.36 0.28 4.82 0.52 -1.26 -5.14 118.95 116.64 1log s ARG 21 Ca 0.11 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1log s ARG 21 Cb 0.07 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1log s ARG 21 CO -0.06 0.58 0.05 0.96 0.02 0.00 0.00 175.30 176.85 1log s ILE 22 N -0.96 3.45 -1.47 1.52 -4.36 -1.26 -5.12 121.20 113.01 1log s ILE 22 Ca 0.16 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 1log s ILE 22 Cb -0.11 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.66 1log s ILE 22 CO 0.06 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.53 1log n GLY 23 N -0.99 -0.95 3.25 6.27 0.00 -1.26 -5.16 105.19 106.35 1log n GLY 23 Ca -0.06 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1log n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1log s PHE 24 N -3.00 1.53 0.03 1.61 0.08 -1.26 -5.14 117.98 111.83 1log s PHE 24 Ca 0.00 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.61 1log s PHE 24 Cb 0.00 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 1log s PHE 24 CO 0.00 0.16 -0.08 0.45 -0.10 0.00 0.00 175.22 175.65 1log s SER 25 N -2.06 0.92 -0.14 1.36 0.15 -1.26 -5.16 113.70 107.51 1log s SER 25 Ca 0.05 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 1log s SER 25 Cb -0.08 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1log s SER 25 CO 0.04 -0.10 0.35 0.00 1.20 0.00 0.00 173.24 174.73 1log s ALA 26 N -0.97 -0.87 0.26 5.45 0.00 -1.26 -5.18 121.76 119.18 1log s ALA 26 Ca -0.05 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1log s ALA 26 Cb -0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1log s ALA 26 CO 0.00 -0.19 0.02 0.95 0.00 0.00 0.00 175.76 176.54 1log s THR 27 N 0.58 1.06 0.15 0.00 -4.23 -1.26 -5.12 115.64 106.82 1log s THR 27 Ca -0.03 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1log s THR 27 Cb -0.05 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1log s THR 27 CO -0.04 -0.22 -0.06 0.42 -0.54 0.00 0.00 174.62 174.19 1log s THR 28 N -3.40 0.92 0.00 3.99 -4.23 -1.26 -4.89 115.64 106.77 1log s THR 28 Ca 0.31 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1log s THR 28 Cb 0.06 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1log s THR 28 CO 0.11 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1log n GLY 29 N -0.19 3.15 0.14 3.99 0.00 -1.26 -4.97 105.19 106.05 1log n GLY 29 Ca -0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1log n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1log h ALA 30 N 1.00 0.41 -1.98 4.61 0.00 -2.07 -3.43 119.26 117.80 1log h ALA 30 Ca 0.00 -0.73 -0.50 0.00 0.00 0.00 0.00 54.91 53.68 1log h ALA 30 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1log h ALA 30 CO 0.00 0.88 -0.48 -1.21 0.00 0.00 0.00 179.25 178.45 1log s GLU 31 N -3.18 2.81 0.33 0.00 2.02 -1.26 -5.14 118.70 114.29 1log s GLU 31 Ca -0.04 -1.20 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1log s GLU 31 Cb 0.09 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.82 1log s GLU 31 CO 0.85 0.21 0.50 1.97 0.02 0.00 0.00 175.26 178.81 1log n PHE 32 N -1.31 -1.52 0.00 1.61 1.16 -1.26 -4.73 117.46 111.41 1log n PHE 32 Ca -0.04 -2.11 0.00 0.00 -1.87 0.00 0.00 57.45 53.43 1log n PHE 32 Cb 0.59 0.57 0.00 0.00 -1.61 0.00 0.00 39.48 39.03 1log n PHE 32 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1log n ALA 33 N -0.85 0.00 -2.03 1.98 0.00 -1.26 -5.07 120.51 113.28 1log n ALA 33 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1log n ALA 33 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1log n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1log s ALA 34 N -2.00 3.47 -0.16 0.00 0.00 -1.26 -4.94 121.76 116.87 1log s ALA 34 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1log s ALA 34 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1log s ALA 34 CO 0.00 0.31 -0.11 -1.01 0.00 0.00 0.00 175.76 174.95 1log s HIS 35 N -1.17 2.09 0.13 0.00 3.76 -1.26 -5.13 115.29 113.71 1log s HIS 35 Ca 0.35 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.06 1log s HIS 35 Cb -0.22 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 1log s HIS 35 CO 0.25 -0.67 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.16 1log s GLU 36 N 1.51 0.99 -0.07 1.40 2.02 -1.26 -5.08 118.70 118.20 1log s GLU 36 Ca 0.03 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.71 1log s GLU 36 Cb -0.14 -0.64 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1log s GLU 36 CO -0.09 0.09 -0.13 0.08 0.02 0.00 0.00 175.26 175.23 1log s VAL 37 N -2.85 1.20 -0.10 2.63 1.01 -1.26 -5.03 120.40 116.00 1log s VAL 37 Ca 0.12 -0.51 0.15 0.00 0.00 0.00 0.00 61.98 61.74 1log s VAL 37 Cb -0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 36.38 35.05 1log s VAL 37 CO 0.01 0.37 0.52 0.18 0.00 0.00 0.00 175.10 176.18 1log n LEU 38 N 3.90 0.60 -3.50 3.92 4.32 -1.26 -5.00 117.00 119.98 1log n LEU 38 Ca -0.22 0.28 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 1log n LEU 38 Cb 0.52 0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 42.52 1log n LEU 38 CO 0.25 0.36 0.36 -0.94 -1.22 0.00 0.00 177.39 176.20 1log s SER 39 N -5.82 -0.53 -0.16 -1.43 1.04 -1.26 -5.17 113.70 100.37 1log s SER 39 Ca -0.06 0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1log s SER 39 Cb 0.08 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.80 1log s SER 39 CO 0.83 -0.81 0.37 0.86 0.98 0.00 0.00 173.24 175.47 1log s TRP 40 N -2.80 -0.55 0.04 5.02 -0.00 -1.26 -5.16 118.94 114.23 1log s TRP 40 Ca -0.03 1.18 0.06 0.00 -0.00 0.00 0.00 56.10 57.31 1log s TRP 40 Cb -0.00 0.21 -0.02 0.00 -0.00 0.00 0.00 33.47 33.65 1log s TRP 40 CO -0.04 -0.33 -0.18 -0.47 -0.00 0.00 0.00 176.95 175.92 1log s TYR 41 N 1.50 1.61 -0.03 5.86 5.04 -1.26 -5.16 117.35 124.90 1log s TYR 41 Ca -0.09 -0.36 -0.12 0.00 -2.44 0.00 0.00 57.07 54.06 1log s TYR 41 Cb -0.09 -0.96 0.02 0.00 0.35 0.00 0.00 41.96 41.28 1log s TYR 41 CO -0.12 0.07 0.27 0.12 -1.34 0.00 0.00 175.55 174.55 1log s PHE 42 N -0.80 -0.17 -0.17 4.97 5.36 -1.26 -5.16 117.98 120.75 1log s PHE 42 Ca 0.06 0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 56.26 1log s PHE 42 Cb -0.08 0.07 0.08 0.00 -0.34 0.00 0.00 43.02 42.75 1log s PHE 42 CO 0.02 -0.31 0.37 -1.58 -1.46 0.00 0.00 175.22 172.25 1log s HIS 43 N -0.99 -0.67 0.23 10.12 5.65 -1.26 -5.15 115.29 123.22 1log s HIS 43 Ca -0.11 1.34 0.11 0.00 0.25 0.00 0.00 55.06 56.65 1log s HIS 43 Cb -0.05 0.19 -0.05 0.00 -1.18 0.00 0.00 32.58 31.50 1log s HIS 43 CO 0.03 -0.44 -0.19 -1.54 -0.65 0.00 0.00 174.74 171.95 1log s SER 44 N 2.52 3.69 -0.25 9.88 1.04 -1.26 -5.13 113.70 124.19 1log s SER 44 Ca -0.01 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 1log s SER 44 Cb -0.12 -0.38 0.12 0.00 0.10 0.00 0.00 66.02 65.74 1log s SER 44 CO -0.11 0.08 0.29 -0.70 0.98 0.00 0.00 173.24 173.78 1log s GLU 45 N -3.09 0.29 -0.34 4.02 2.56 -1.26 -5.12 118.70 115.75 1log s GLU 45 Ca 0.26 0.12 -0.11 0.00 0.00 0.00 0.00 54.97 55.24 1log s GLU 45 Cb -0.07 -0.80 0.01 0.00 2.00 0.00 0.00 34.13 35.27 1log s GLU 45 CO 0.13 -0.83 0.19 -1.17 -0.56 0.00 0.00 175.26 173.02 1log s LEU 46 N 2.39 4.42 -0.12 2.70 2.96 -1.26 -5.04 118.68 124.73 1log s LEU 46 Ca 0.09 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 1log s LEU 46 Cb -0.15 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.44 1log s LEU 46 CO -0.22 -0.28 2.09 0.00 -1.32 0.00 0.00 176.35 176.62 1log n ALA 47 N 5.01 1.58 0.00 5.97 0.00 -1.26 -3.35 120.51 128.46 1log n ALA 47 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1log n ALA 47 Cb 0.48 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1log n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1log n GLY 48 N 5.22 0.46 3.21 0.00 0.00 -1.26 -4.94 105.19 107.87 1log n GLY 48 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1log n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1log s THR 49 N 0.00 3.96 -0.16 2.61 -4.23 -1.21 -5.02 115.64 111.60 1log s THR 49 Ca 0.00 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1log s THR 49 Cb 0.00 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1log s THR 49 CO 0.00 -0.65 -0.09 -0.55 -0.54 0.00 0.00 174.62 172.79 1log s SER 50 N 2.26 4.21 0.00 3.99 0.15 -1.26 -5.08 113.70 117.98 1log s SER 50 Ca 0.05 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1log s SER 50 Cb -0.24 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1log s SER 50 CO -0.01 0.12 0.00 -0.24 1.20 0.00 0.00 173.24 174.31