#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hry s SER 3 N 0.00 5.48 -0.28 1.08 0.15 -1.26 -3.61 113.70 115.27 3hry s SER 3 Ca 0.00 1.02 -0.22 0.00 0.70 0.00 0.00 55.95 57.45 3hry s SER 3 Cb 0.00 -1.87 0.09 0.00 -1.71 0.00 0.00 66.02 62.53 3hry s SER 3 CO 0.00 -1.27 0.81 -0.63 1.20 0.00 0.00 173.24 173.35 3hry s ILE 4 N -3.27 0.00 0.82 6.45 1.01 -1.10 -4.73 121.20 120.38 3hry s ILE 4 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 61.08 3hry s ILE 4 Cb -0.11 -1.00 0.19 0.00 0.01 0.00 0.00 42.46 41.55 3hry s ILE 4 CO 0.50 0.00 1.12 -0.46 0.00 0.00 0.00 174.94 176.10 3hry n ASN 5 N 3.01 0.11 -4.58 3.58 2.04 -1.26 -0.48 115.26 117.68 3hry n ASN 5 Ca -0.15 -1.42 -0.21 0.00 -0.44 0.00 0.00 54.58 52.36 3hry n ASN 5 Cb 0.56 -0.85 -0.09 0.00 -2.53 0.00 0.00 39.78 36.87 3hry n ASN 5 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 3hry s PHE 6 N -3.44 1.55 -0.29 -2.53 2.99 -1.26 -4.47 117.98 110.53 3hry s PHE 6 Ca 0.64 1.48 -0.11 0.00 0.00 0.00 0.00 56.93 58.94 3hry s PHE 6 Cb -0.02 -3.63 -0.04 0.00 0.00 0.00 0.00 43.02 39.34 3hry s PHE 6 CO 0.45 -0.90 0.18 1.03 -0.00 0.00 0.00 175.22 175.97 3hry s ARG 7 N 7.56 3.77 0.00 0.44 1.81 -1.26 -5.11 118.95 126.16 3hry s ARG 7 Ca 0.76 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 54.32 3hry s ARG 7 Cb -0.03 -3.64 0.00 0.00 -0.45 0.00 0.00 34.95 30.83 3hry s ARG 7 CO 0.16 -0.26 0.00 0.25 -0.68 0.00 0.00 175.30 174.77 3hry n THR 8 N 5.04 0.00 -1.10 0.02 -2.24 -1.26 -5.08 114.28 109.67 3hry n THR 8 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hry n THR 8 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3hry n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hry n SER 14 N 0.63 0.00 -0.06 3.42 2.88 -1.26 -5.28 113.62 113.95 3hry n SER 14 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3hry n SER 14 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 3hry n SER 14 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3hry n GLU 15 N 0.00 0.49 -0.36 -1.46 -0.00 -1.26 -3.62 120.64 114.43 3hry n GLU 15 Ca 0.00 -0.12 0.32 0.00 -0.00 0.00 0.00 57.16 57.36 3hry n GLU 15 Cb 0.00 -1.50 0.66 0.00 -0.00 0.00 0.00 31.44 30.61 3hry n GLU 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3hry h VAL 16 N 0.30 0.39 -0.01 3.84 2.07 -1.98 -0.87 116.25 120.00 3hry h VAL 16 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3hry h VAL 16 Cb 0.36 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3hry h VAL 16 CO 0.00 0.03 -0.04 -0.07 0.02 0.00 0.00 177.57 177.50 3hry h LEU 17 N 0.14 0.05 -1.94 2.57 3.38 -1.96 -3.25 115.31 114.30 3hry h LEU 17 Ca 0.62 -0.69 0.23 0.00 0.09 0.00 0.00 57.88 58.14 3hry h LEU 17 Cb 2.13 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.83 3hry h LEU 17 CO -0.15 0.73 0.58 0.78 0.09 0.00 0.00 178.44 180.47 3hry h ASN 18 N -0.62 0.05 -2.53 -0.43 4.21 -1.40 -3.02 115.58 111.84 3hry h ASN 18 Ca -0.00 0.01 -0.60 0.00 1.21 0.00 0.00 56.30 56.91 3hry h ASN 18 Cb 0.73 -0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.52 3hry h ASN 18 CO 0.01 0.02 -0.72 0.59 -1.29 0.00 0.00 177.43 176.04 3hry n ASN 19 N -4.32 2.26 -4.77 5.81 3.02 -1.03 -5.10 115.26 111.13 3hry n ASN 19 Ca 0.17 -3.07 -0.40 0.00 -0.03 0.00 0.00 54.58 51.24 3hry n ASN 19 Cb 0.85 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 3hry n ASN 19 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hry s VAL 20 N -1.48 2.65 0.05 2.41 1.01 -1.14 -4.87 120.40 119.03 3hry s VAL 20 Ca 0.32 0.64 -0.24 0.00 0.00 0.00 0.00 61.98 62.71 3hry s VAL 20 Cb 0.06 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 3hry s VAL 20 CO -0.12 0.14 1.37 1.05 0.00 0.00 0.00 175.10 177.54 3hry h GLU 21 N 3.22 -0.65 -1.11 2.72 4.11 -1.94 -3.49 114.58 117.45 3hry h GLU 21 Ca -0.49 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 3hry h GLU 21 Cb 1.23 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 30.41 3hry h GLU 21 CO 0.65 -0.43 -0.42 0.00 0.07 0.00 0.00 179.01 178.87 3hry s ALA 22 N -4.95 -2.20 -0.38 1.06 0.00 -1.26 -5.07 121.76 108.95 3hry s ALA 22 Ca -0.12 0.74 0.11 0.00 0.00 0.00 0.00 51.96 52.69 3hry s ALA 22 Cb 0.03 -2.51 0.40 0.00 0.00 0.00 0.00 23.12 21.04 3hry s ALA 22 CO 0.39 -1.91 1.31 0.41 0.00 0.00 0.00 175.76 175.97 3hry n GLY 23 N 5.19 1.43 3.13 0.00 0.00 -1.26 -4.74 105.19 108.94 3hry n GLY 23 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3hry n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hry s GLU 24 N -0.36 0.73 0.00 1.61 2.12 -1.26 -5.16 118.70 116.38 3hry s GLU 24 Ca 0.22 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.27 3hry s GLU 24 Cb 0.41 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.78 3hry s GLU 24 CO -0.07 -0.06 0.00 0.39 -0.54 0.00 0.00 175.26 174.98 3hry n GLU 25 N 0.04 2.43 -3.35 4.30 -0.58 -1.26 -4.93 120.64 117.29 3hry n GLU 25 Ca -0.13 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.42 3hry n GLU 25 Cb 0.61 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.54 3hry n GLU 25 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hry n VAL 26 N 0.00 -8.46 -2.68 2.62 0.31 -1.26 -4.17 118.33 104.70 3hry n VAL 26 Ca 0.00 -1.25 -0.43 0.00 -0.01 0.00 0.00 64.34 62.66 3hry n VAL 26 Cb 0.00 -6.04 -0.01 0.00 -0.91 0.00 0.00 33.84 26.88 3hry n VAL 26 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hry s GLU 27 N -4.73 3.90 -0.17 5.55 -1.05 -1.24 -2.59 118.70 118.36 3hry s GLU 27 Ca 0.46 -1.91 -0.35 0.00 -0.15 0.00 0.00 54.97 53.01 3hry s GLU 27 Cb -0.08 -5.36 -0.12 0.00 -0.44 0.00 0.00 34.13 28.13 3hry s GLU 27 CO 0.77 -2.11 1.93 -0.89 0.95 0.00 0.00 175.26 175.90 3hry n ILE 28 N 6.08 0.47 -2.56 1.83 5.41 -0.81 -2.71 119.36 127.06 3hry n ILE 28 Ca 0.41 -0.14 -0.22 0.00 1.00 0.00 0.00 62.75 63.80 3hry n ILE 28 Cb 0.47 -1.78 0.04 0.00 -0.71 0.00 0.00 39.64 37.67 3hry n ILE 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3hry s THR 29 N 4.73 2.58 -0.18 1.39 -1.32 0.37 -1.92 115.64 121.28 3hry s THR 29 Ca 0.97 -0.60 -0.28 0.00 -1.21 0.00 0.00 61.69 60.57 3hry s THR 29 Cb -0.76 -2.98 0.09 0.00 -1.51 0.00 0.00 72.50 67.34 3hry s THR 29 CO 0.53 0.00 0.82 -0.13 -2.21 0.00 0.00 174.62 173.63 3hry s ARG 30 N -4.86 0.80 0.13 7.08 0.52 -1.26 -4.20 118.95 117.16 3hry s ARG 30 Ca 0.58 0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 56.01 3hry s ARG 30 Cb -0.10 0.38 -0.09 0.00 0.52 0.00 0.00 34.95 35.67 3hry s ARG 30 CO 0.40 -0.18 1.46 1.03 0.02 0.00 0.00 175.30 178.02 3hry s ARG 31 N -0.42 4.28 -1.65 3.54 1.81 -1.26 -3.08 118.95 122.17 3hry s ARG 31 Ca -0.03 2.18 -0.15 0.00 -1.72 0.00 0.00 55.73 56.01 3hry s ARG 31 Cb -0.03 -3.23 0.13 0.00 -0.45 0.00 0.00 34.95 31.37 3hry s ARG 31 CO 0.03 -0.51 0.70 0.41 -0.68 0.00 0.00 175.30 175.25 3hry n GLY 32 N 3.60 -0.40 3.32 -3.53 0.00 -1.26 -4.95 105.19 101.98 3hry n GLY 32 Ca 0.12 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3hry n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hry s ARG 33 N -6.88 0.48 0.17 1.61 6.06 -1.18 -5.13 118.95 114.09 3hry s ARG 33 Ca 0.59 0.67 -0.33 0.00 -2.50 0.00 0.00 55.73 54.16 3hry s ARG 33 Cb -0.32 0.17 -0.13 0.00 0.06 0.00 0.00 34.95 34.72 3hry s ARG 33 CO 0.92 -0.09 1.61 0.39 -2.50 0.00 0.00 175.30 175.64 3hry n GLU 34 N 3.27 2.31 -2.16 5.12 -0.58 -1.26 -4.33 120.64 123.00 3hry n GLU 34 Ca -0.16 0.83 -0.38 0.00 -0.42 0.00 0.00 57.16 57.03 3hry n GLU 34 Cb 0.57 -2.62 -0.00 0.00 -0.57 0.00 0.00 31.44 28.81 3hry n GLU 34 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3hry s PRO 35 N 0.97 3.74 0.51 3.49 0.02 -1.26 -4.88 135.00 137.59 3hry s PRO 35 Ca 0.78 1.91 0.08 0.00 0.02 0.00 0.00 61.00 63.78 3hry s PRO 35 Cb -0.64 -2.47 0.05 0.00 0.02 0.00 0.00 34.50 31.46 3hry s PRO 35 CO 0.36 -0.61 0.69 0.00 -0.33 0.00 0.00 177.00 177.12 3hry s ALA 36 N -1.45 4.50 0.13 -1.55 0.00 -0.81 -4.99 121.76 117.59 3hry s ALA 36 Ca 0.63 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3hry s ALA 36 Cb -0.32 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3hry s ALA 36 CO 0.39 -0.60 -0.09 0.08 0.00 0.00 0.00 175.76 175.54 3hry s VAL 37 N -2.55 1.02 -0.50 0.00 1.01 -1.26 -1.93 120.40 116.20 3hry s VAL 37 Ca 0.58 -2.02 0.05 0.00 0.00 0.00 0.00 61.98 60.60 3hry s VAL 37 Cb -0.08 -1.79 0.19 0.00 0.00 0.00 0.00 36.38 34.70 3hry s VAL 37 CO 0.36 -0.78 0.45 0.00 0.00 0.00 0.00 175.10 175.13 3hry n ILE 38 N -0.14 -0.08 -3.50 2.22 0.13 -1.07 -4.91 119.36 112.01 3hry n ILE 38 Ca -0.11 -4.06 -0.32 0.00 -1.10 0.00 0.00 62.75 57.16 3hry n ILE 38 Cb 0.61 -1.88 -0.05 0.00 -0.84 0.00 0.00 39.64 37.47 3hry n ILE 38 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 3hry s VAL 39 N -0.81 5.01 0.88 9.51 0.11 -1.26 -4.82 120.40 129.02 3hry s VAL 39 Ca 0.32 0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 59.62 3hry s VAL 39 Cb 0.06 -3.63 0.12 0.00 -1.53 0.00 0.00 36.38 31.40 3hry s VAL 39 CO -0.16 0.01 1.09 -0.55 -3.33 0.00 0.00 175.10 172.17 3hry s SER 40 N -2.29 3.62 0.40 3.54 0.15 -1.26 -4.87 113.70 112.98 3hry s SER 40 Ca 0.44 1.51 0.21 0.00 0.70 0.00 0.00 55.95 58.81 3hry s SER 40 Cb -0.12 -2.19 0.58 0.00 -1.71 0.00 0.00 66.02 62.58 3hry s SER 40 CO 0.22 -2.55 1.68 0.11 1.20 0.00 0.00 173.24 173.90 3hry h LYS 41 N -1.49 0.00 -0.25 5.44 1.57 -1.98 -1.27 116.57 118.59 3hry h LYS 41 Ca -0.49 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 3hry h LYS 41 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 3hry h LYS 41 CO 0.54 0.27 -0.28 0.00 -0.57 0.00 0.00 179.45 179.41 3hry h ALA 42 N 1.73 0.38 0.00 3.86 0.00 -1.98 -2.87 119.26 120.39 3hry h ALA 42 Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3hry h ALA 42 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hry h ALA 42 CO 0.03 0.39 -0.61 1.15 0.00 0.00 0.00 179.25 180.22 3hry h THR 43 N 0.36 1.33 -1.88 0.00 2.02 -1.82 -3.37 112.91 109.54 3hry h THR 43 Ca 0.04 -2.14 -0.70 0.00 0.77 0.00 0.00 66.41 64.37 3hry h THR 43 Cb 0.85 2.19 -0.15 0.00 -1.74 0.00 0.00 68.15 69.30 3hry h THR 43 CO 0.07 0.59 1.38 0.12 0.37 0.00 0.00 175.52 178.06 3hry s PHE 44 N -3.48 3.16 -0.12 3.16 5.36 -0.49 -4.76 117.98 120.80 3hry s PHE 44 Ca -0.01 -1.70 0.15 0.00 -0.96 0.00 0.00 56.93 54.41 3hry s PHE 44 Cb 0.12 -4.43 -0.24 0.00 -0.34 0.00 0.00 43.02 38.13 3hry s PHE 44 CO 0.75 -1.55 0.36 0.39 -1.46 0.00 0.00 175.22 173.70 3hry n GLU 45 N 6.74 0.66 -3.92 10.12 -0.58 -1.26 -4.82 120.64 127.58 3hry n GLU 45 Ca 0.35 0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 57.14 3hry n GLU 45 Cb 0.46 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 3hry n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hry s ALA 46 N -2.54 -0.09 0.00 0.62 0.00 -1.26 -5.14 121.76 113.35 3hry s ALA 46 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3hry s ALA 46 Cb 0.07 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3hry s ALA 46 CO 0.82 -0.59 0.00 0.66 0.00 0.00 0.00 175.76 176.65 3hry n TYR 47 N -0.16 -0.16 -3.68 0.00 4.02 -1.26 -5.11 117.16 110.81 3hry n TYR 47 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.69 3hry n TYR 47 Cb 0.63 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.84 3hry n TYR 47 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3hry s LYS 48 N -0.36 0.36 0.00 -0.72 3.01 -1.26 -5.32 119.74 115.46 3hry s LYS 48 Ca 0.00 0.86 0.19 0.00 -1.01 0.00 0.00 55.97 56.01 3hry s LYS 48 Cb 0.00 0.08 1.13 0.00 -1.01 0.00 0.00 37.83 38.04 3hry s LYS 48 CO 0.00 -0.19 1.53 1.63 0.51 0.00 0.00 175.35 178.83