#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h91 s GLN 10 N 0.00 4.17 -0.10 3.49 0.74 -1.26 -4.99 119.66 121.71 3h91 s GLN 10 Ca 0.00 2.49 -0.03 0.00 0.05 0.00 0.00 55.36 57.87 3h91 s GLN 10 Cb 0.00 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 3h91 s GLN 10 CO 0.00 -0.52 0.02 0.08 -0.55 0.00 0.00 175.29 174.32 3h91 s VAL 11 N -0.46 4.48 0.22 1.34 1.01 -1.26 -5.12 120.40 120.61 3h91 s VAL 11 Ca 0.58 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.45 3h91 s VAL 11 Cb -0.46 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3h91 s VAL 11 CO 0.52 0.59 -0.10 -0.36 0.00 0.00 0.00 175.10 175.75 3h91 s PHE 12 N -0.76 1.70 -0.29 5.22 0.08 -1.26 -5.11 117.98 117.57 3h91 s PHE 12 Ca 0.12 -0.66 -0.27 0.00 0.12 0.00 0.00 56.93 56.24 3h91 s PHE 12 Cb -0.12 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 3h91 s PHE 12 CO 0.02 0.26 0.94 0.00 -0.10 0.00 0.00 175.22 176.35 3h91 s ALA 13 N -3.07 3.57 -0.07 5.36 0.00 -1.26 -5.02 121.76 121.26 3h91 s ALA 13 Ca 0.24 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 3h91 s ALA 13 Cb 0.01 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3h91 s ALA 13 CO 0.07 -1.23 0.57 0.00 0.00 0.00 0.00 175.76 175.17 3h91 s ALA 14 N 3.23 3.44 0.02 0.00 0.00 -1.26 -1.27 121.76 125.91 3h91 s ALA 14 Ca 0.39 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 3h91 s ALA 14 Cb -0.14 -2.75 -0.21 0.00 0.00 0.00 0.00 23.12 20.02 3h91 s ALA 14 CO 0.11 0.02 1.16 1.49 0.00 0.00 0.00 175.76 178.54 3h91 h GLU 15 N 6.44 0.44 -1.39 0.00 4.57 -0.85 -3.45 114.58 120.34 3h91 h GLU 15 Ca -0.42 -0.41 0.24 0.00 -1.18 0.00 0.00 59.36 57.59 3h91 h GLU 15 Cb 1.19 0.10 -0.21 0.00 -0.16 0.00 0.00 28.75 29.68 3h91 h GLU 15 CO 0.74 1.06 0.82 0.00 -1.18 0.00 0.00 179.01 180.45 3h91 s ILE 17 N -2.05 5.22 -0.19 0.00 1.01 -1.26 -1.86 121.20 122.07 3h91 s ILE 17 Ca 0.08 0.72 0.13 0.00 0.00 0.00 0.00 60.65 61.58 3h91 s ILE 17 Cb -0.01 -3.69 -0.23 0.00 0.01 0.00 0.00 42.46 38.53 3h91 s ILE 17 CO -0.05 0.42 0.09 0.18 0.00 0.00 0.00 174.94 175.58 3h91 n LEU 18 N 3.18 0.86 -3.61 2.97 4.77 0.58 -4.87 117.00 120.88 3h91 n LEU 18 Ca -0.11 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 3h91 n LEU 18 Cb 0.52 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3h91 n LEU 18 CO 0.40 0.60 0.57 -0.44 -1.33 0.00 0.00 177.39 177.18 3h91 s SER 19 N -5.85 -0.36 0.10 -1.43 0.01 -1.25 -4.98 113.70 99.93 3h91 s SER 19 Ca -0.15 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 56.95 3h91 s SER 19 Cb 0.07 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 3h91 s SER 19 CO 0.78 -0.94 -0.14 -1.59 0.41 0.00 0.00 173.24 171.76 3h91 s LYS 20 N -3.51 0.92 0.20 12.44 -2.85 -1.26 -0.83 119.74 124.86 3h91 s LYS 20 Ca 0.07 -1.11 -0.11 0.00 -1.00 0.00 0.00 55.97 53.82 3h91 s LYS 20 Cb -0.02 -0.86 -0.00 0.00 -2.06 0.00 0.00 37.83 34.88 3h91 s LYS 20 CO -0.04 0.18 0.38 -0.98 0.10 0.00 0.00 175.35 174.99 3h91 s ARG 21 N -2.24 1.34 -0.15 1.78 1.70 -0.36 -5.00 118.95 116.02 3h91 s ARG 21 Ca 0.04 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.07 3h91 s ARG 21 Cb -0.07 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 3h91 s ARG 21 CO 0.02 -0.53 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.17 3h91 s LEU 22 N -2.99 3.24 -0.15 -1.89 1.43 -1.26 -1.14 118.68 115.93 3h91 s LEU 22 Ca 0.20 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3h91 s LEU 22 Cb 0.01 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3h91 s LEU 22 CO 0.04 0.18 -0.16 -0.60 0.23 0.00 0.00 176.35 176.04 3h91 s ARG 23 N 0.32 2.46 -1.35 1.70 3.52 -0.01 -4.64 118.95 120.95 3h91 s ARG 23 Ca -0.04 -0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 54.86 3h91 s ARG 23 Cb -0.14 -2.18 0.05 0.00 -1.56 0.00 0.00 34.95 31.12 3h91 s ARG 23 CO 0.03 -0.20 0.51 1.63 -0.81 0.00 0.00 175.30 176.46 3h91 n LYS 24 N 4.63 -3.77 -0.93 5.12 4.76 -1.26 -1.15 118.16 125.56 3h91 n LYS 24 Ca -0.18 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 3h91 n LYS 24 Cb 0.50 -5.34 0.00 0.00 -1.84 0.00 0.00 35.03 28.35 3h91 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h91 n GLY 25 N -1.26 1.13 3.78 0.72 0.00 -1.26 -5.02 105.19 103.28 3h91 n GLY 25 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3h91 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h91 s LYS 26 N -0.01 3.20 0.03 1.61 1.02 -0.30 -5.00 119.74 120.30 3h91 s LYS 26 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 3h91 s LYS 26 Cb 0.00 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3h91 s LYS 26 CO 0.00 0.74 1.09 -1.17 -0.92 0.00 0.00 175.35 175.09 3h91 s LEU 27 N -0.95 4.37 0.08 3.17 2.96 -1.26 -0.83 118.68 126.22 3h91 s LEU 27 Ca 0.14 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 55.93 3h91 s LEU 27 Cb -0.12 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3h91 s LEU 27 CO 0.03 -0.36 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.99 3h91 s GLU 28 N 1.02 0.78 -0.04 1.98 2.02 -0.29 -3.91 118.70 120.26 3h91 s GLU 28 Ca 0.55 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.53 3h91 s GLU 28 Cb -0.25 -0.52 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 3h91 s GLU 28 CO 0.29 0.09 -0.19 0.71 0.02 0.00 0.00 175.26 176.18 3h91 s TYR 29 N -2.11 1.81 -0.17 1.61 2.02 0.32 -1.23 117.35 119.60 3h91 s TYR 29 Ca 0.02 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 56.01 3h91 s TYR 29 Cb -0.05 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3h91 s TYR 29 CO 0.00 -0.15 0.66 -1.17 -1.57 0.00 0.00 175.55 173.32 3h91 s LEU 30 N -0.09 4.18 -0.13 -1.29 2.96 -0.01 -0.46 118.68 123.84 3h91 s LEU 30 Ca -0.02 0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 3h91 s LEU 30 Cb -0.11 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 3h91 s LEU 30 CO 0.02 -0.25 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.99 3h91 s VAL 31 N 1.73 3.19 -0.14 1.68 1.01 0.05 -0.31 120.40 127.62 3h91 s VAL 31 Ca 0.31 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 3h91 s VAL 31 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3h91 s VAL 31 CO 0.12 0.52 0.66 -0.75 0.00 0.00 0.00 175.10 175.64 3h91 s LYS 32 N 0.36 4.32 -0.16 2.72 2.47 -0.78 -2.20 119.74 126.47 3h91 s LYS 32 Ca -0.10 0.74 -0.10 0.00 -1.56 0.00 0.00 55.97 54.95 3h91 s LYS 32 Cb -0.16 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.66 3h91 s LYS 32 CO 0.05 -0.09 0.17 -1.58 0.16 0.00 0.00 175.35 174.07 3h91 s TRP 33 N 1.36 3.49 0.23 4.03 0.52 -1.26 -0.14 118.94 127.17 3h91 s TRP 33 Ca 0.33 0.46 -0.31 0.00 0.02 0.00 0.00 56.10 56.60 3h91 s TRP 33 Cb -0.16 -2.13 -0.11 0.00 -1.15 0.00 0.00 33.47 29.92 3h91 s TRP 33 CO 0.13 0.43 1.57 0.50 0.02 0.00 0.00 176.95 179.60 3h91 s ARG 34 N -0.09 4.19 0.00 4.98 3.52 -0.40 -2.26 118.95 128.89 3h91 s ARG 34 Ca 0.12 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 3h91 s ARG 34 Cb -0.12 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3h91 s ARG 34 CO 0.01 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 3h91 n GLY 35 N 2.99 0.92 3.15 8.12 0.00 -1.26 -4.83 105.19 114.28 3h91 n GLY 35 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 3h91 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h91 s TRP 36 N -3.08 1.38 1.02 1.61 0.52 -0.96 -5.14 118.94 114.29 3h91 s TRP 36 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 3h91 s TRP 36 Cb 0.00 -0.85 0.20 0.00 -1.15 0.00 0.00 33.47 31.67 3h91 s TRP 36 CO 0.00 0.02 1.08 -1.54 0.02 0.00 0.00 176.95 176.53 3h91 s SER 37 N -0.79 2.37 0.63 2.95 1.04 -1.26 -4.56 113.70 114.08 3h91 s SER 37 Ca 0.04 1.32 0.39 0.00 0.48 0.00 0.00 55.95 58.19 3h91 s SER 37 Cb -0.07 -2.01 2.16 0.00 0.10 0.00 0.00 66.02 66.20 3h91 s SER 37 CO 0.01 -3.31 2.30 0.77 0.98 0.00 0.00 173.24 173.99 3h91 h SER 38 N -2.01 0.00 -0.01 7.02 4.64 -1.99 -1.06 113.55 120.13 3h91 h SER 38 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3h91 h SER 38 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3h91 h SER 38 CO 0.55 0.01 0.06 0.11 -0.87 0.00 0.00 176.83 176.69 3h91 h LYS 39 N 0.00 0.00 -0.51 4.77 1.57 -2.01 -1.97 116.57 118.43 3h91 h LYS 39 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h91 h LYS 39 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3h91 h LYS 39 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 3h91 n HIS 40 N -3.24 0.90 -1.73 -1.35 8.25 -0.40 -4.97 115.22 112.67 3h91 n HIS 40 Ca -0.02 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.45 3h91 n HIS 40 Cb 0.13 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 3h91 n HIS 40 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3h91 n ASN 41 N 0.83 3.16 -4.10 0.41 3.02 -0.74 -4.83 115.26 113.01 3h91 n ASN 41 Ca 0.19 1.22 -0.15 0.00 -0.03 0.00 0.00 54.58 55.81 3h91 n ASN 41 Cb 0.64 -1.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.16 3h91 n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h91 s SER 42 N -0.24 1.14 -0.16 6.41 1.04 -0.93 -4.91 113.70 116.05 3h91 s SER 42 Ca 0.55 -0.58 -0.24 0.00 0.48 0.00 0.00 55.95 56.16 3h91 s SER 42 Cb -0.53 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.57 3h91 s SER 42 CO 0.63 -0.16 0.77 0.26 0.98 0.00 0.00 173.24 175.71 3h91 s TRP 43 N -1.37 3.43 0.05 5.02 0.52 -1.26 -0.77 118.94 124.57 3h91 s TRP 43 Ca -0.07 1.18 0.08 0.00 0.02 0.00 0.00 56.10 57.30 3h91 s TRP 43 Cb -0.10 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 3h91 s TRP 43 CO 0.01 -0.19 -0.22 -1.21 0.02 0.00 0.00 176.95 175.37 3h91 s GLU 44 N 1.93 1.41 0.72 4.98 0.41 0.39 -4.86 118.70 123.69 3h91 s GLU 44 Ca 0.36 -1.01 -0.14 0.00 -0.41 0.00 0.00 54.97 53.77 3h91 s GLU 44 Cb -0.17 -1.57 0.04 0.00 -1.78 0.00 0.00 34.13 30.65 3h91 s GLU 44 CO 0.13 0.40 1.14 -1.25 -0.49 0.00 0.00 175.26 175.19 3h91 s PRO 45 N -1.31 2.31 0.41 0.39 0.04 -1.26 -0.52 135.00 135.06 3h91 s PRO 45 Ca 0.08 1.50 0.15 0.00 0.04 0.00 0.00 61.00 62.78 3h91 s PRO 45 Cb -0.09 -1.88 1.01 0.00 0.04 0.00 0.00 34.50 33.58 3h91 s PRO 45 CO 0.02 -1.65 1.87 1.49 0.04 0.00 0.00 177.00 178.78 3h91 h GLU 46 N -0.43 0.46 0.00 4.56 4.81 -1.96 -0.38 114.58 121.64 3h91 h GLU 46 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3h91 h GLU 46 Cb 1.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3h91 h GLU 46 CO 0.51 0.30 0.00 1.05 -0.73 0.00 0.00 179.01 180.14 3h91 h GLU 47 N 0.47 0.00 -0.00 1.92 9.09 -1.93 -0.35 114.58 123.78 3h91 h GLU 47 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3h91 h GLU 47 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.09 3h91 h GLU 47 CO -0.17 0.00 -0.31 0.09 0.05 0.00 0.00 179.01 178.67 3h91 n ASN 48 N -2.32 0.73 -4.39 3.06 4.13 -0.15 -4.69 115.26 111.62 3h91 n ASN 48 Ca 0.00 -0.57 -0.45 0.00 1.68 0.00 0.00 54.58 55.25 3h91 n ASN 48 Cb 0.14 0.12 -0.04 0.00 -1.54 0.00 0.00 39.78 38.47 3h91 n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3h91 s ILE 49 N -2.69 4.86 -0.10 2.41 -1.09 -0.14 -4.90 121.20 119.55 3h91 s ILE 49 Ca 0.20 -1.26 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 3h91 s ILE 49 Cb 0.19 -4.57 -0.27 0.00 -1.58 0.00 0.00 42.46 36.22 3h91 s ILE 49 CO 0.58 -1.23 0.53 -0.07 -1.23 0.00 0.00 174.94 173.52 3h91 h LEU 50 N 9.90 0.43 -9.20 2.97 3.38 -1.83 -3.44 115.31 117.52 3h91 h LEU 50 Ca -0.14 -0.88 -0.57 0.00 0.09 0.00 0.00 57.88 56.39 3h91 h LEU 50 Cb 1.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3h91 h LEU 50 CO 1.06 1.70 0.66 -0.62 0.09 0.00 0.00 178.44 181.34 3h91 s ASP 51 N -7.09 7.18 0.58 -0.43 -1.08 -1.26 -4.92 116.67 109.64 3h91 s ASP 51 Ca -0.20 1.50 0.38 0.00 -0.52 0.00 0.00 52.55 53.71 3h91 s ASP 51 Cb 0.05 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 40.91 3h91 s ASP 51 CO 0.78 -0.54 2.16 1.55 0.52 0.00 0.00 175.17 179.64 3h91 h PRO 52 N 7.27 0.00 0.00 4.34 0.13 -2.03 -2.31 132.00 139.40 3h91 h PRO 52 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3h91 h PRO 52 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3h91 h PRO 52 CO 0.90 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.46 3h91 h ARG 53 N 0.00 0.00 -0.10 0.86 3.08 -1.98 -2.16 114.38 114.08 3h91 h ARG 53 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h91 h ARG 53 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3h91 h ARG 53 CO 0.00 0.22 0.04 -0.07 -1.07 0.00 0.00 179.97 179.08 3h91 h LEU 54 N 0.00 0.14 -0.24 3.04 3.38 -1.83 -0.51 115.31 119.31 3h91 h LEU 54 Ca -0.00 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.59 3h91 h LEU 54 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3h91 h LEU 54 CO 0.03 0.28 -0.90 -0.07 0.09 0.00 0.00 178.44 177.87 3h91 h LEU 55 N -0.00 0.15 -0.19 1.67 3.38 -1.74 -2.39 115.31 116.18 3h91 h LEU 55 Ca 0.03 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3h91 h LEU 55 Cb 0.19 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3h91 h LEU 55 CO -0.00 0.97 -0.06 0.25 0.09 0.00 0.00 178.44 179.69 3h91 h LEU 56 N 0.05 -0.21 -0.47 1.67 5.85 -1.23 -0.46 115.31 120.51 3h91 h LEU 56 Ca -0.03 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3h91 h LEU 56 Cb 1.56 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3h91 h LEU 56 CO 0.13 -0.08 0.14 0.00 -0.34 0.00 0.00 178.44 178.30 3h91 h ALA 57 N 1.17 0.62 -0.36 1.25 0.00 -1.11 -2.97 119.26 117.87 3h91 h ALA 57 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h91 h ALA 57 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h91 h ALA 57 CO -0.21 0.28 0.24 0.35 0.00 0.00 0.00 179.25 179.91 3h91 h PHE 58 N 0.63 0.40 -0.01 0.00 3.57 -0.98 -2.72 116.94 117.82 3h91 h PHE 58 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3h91 h PHE 58 Cb 0.28 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3h91 h PHE 58 CO 0.01 0.24 0.00 1.04 -2.23 0.00 0.00 178.31 177.38 3h91 n GLN 59 N -4.49 1.33 0.00 1.11 6.02 -0.22 -5.09 117.38 116.05 3h91 n GLN 59 Ca 0.03 -0.49 0.06 0.00 -0.01 0.00 0.00 57.00 56.59 3h91 n GLN 59 Cb 0.11 -1.48 0.33 0.00 1.02 0.00 0.00 30.24 30.23 3h91 n GLN 59 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68