#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3j n ILE 2 N 0.00 0.01 -1.04 0.00 -6.64 -1.26 -4.83 119.36 105.60 1q3j n ILE 2 Ca 0.00 -0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 60.81 1q3j n ILE 2 Cb 0.00 -0.56 -0.04 0.00 -1.44 0.00 0.00 39.64 37.60 1q3j n ILE 2 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1q3j n LYS 3 N 2.33 1.91 -3.67 6.28 4.81 -1.26 -4.74 118.16 123.82 1q3j n LYS 3 Ca 0.19 -1.46 -0.28 0.00 -0.87 0.00 0.00 58.31 55.90 1q3j n LYS 3 Cb 0.15 -1.76 0.02 0.00 0.02 0.00 0.00 35.03 33.45 1q3j n LYS 3 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q3j n ASN 4 N 1.12 -4.80 0.00 3.14 3.02 -1.26 -4.71 115.26 111.76 1q3j n ASN 4 Ca 0.34 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1q3j n ASN 4 Cb 0.63 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q3j n GLY 5 N -1.56 0.00 3.80 7.41 0.00 -1.22 -4.81 105.19 108.80 1q3j n GLY 5 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1q3j n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q3j s ASN 6 N 0.00 6.16 0.02 1.61 3.84 -1.26 -4.93 114.94 120.37 1q3j s ASN 6 Ca 0.00 0.34 -0.30 0.00 0.21 0.00 0.00 52.86 53.11 1q3j s ASN 6 Cb 0.00 -2.01 -0.08 0.00 -0.55 0.00 0.00 41.25 38.61 1q3j s ASN 6 CO 0.00 0.32 1.92 -0.83 -2.79 0.00 0.00 177.10 175.73 1q3j s GLY 7 N -0.52 1.45 -0.24 1.21 0.00 -1.26 -3.59 107.32 104.37 1q3j s GLY 7 Ca 0.12 1.25 -0.16 0.00 0.00 0.00 0.00 44.72 45.94 1q3j s GLY 7 CO 0.02 3.41 -0.29 0.00 0.00 0.00 0.00 173.10 176.24 1q3j s GLN 9 N -2.59 0.81 0.16 0.00 1.11 -1.24 -0.25 119.66 117.65 1q3j s GLN 9 Ca -0.34 -1.07 -0.04 0.00 0.01 0.00 0.00 55.36 53.92 1q3j s GLN 9 Cb 0.10 -2.11 0.03 0.00 -1.01 0.00 0.00 33.01 30.02 1q3j s GLN 9 CO 0.47 -0.94 1.43 -1.00 0.01 0.00 0.00 175.29 175.26 1q3j h PRO 10 N 8.06 0.53 -0.13 2.91 0.13 -1.79 -1.60 132.00 140.10 1q3j h PRO 10 Ca -0.13 -0.41 -0.25 0.00 -0.87 0.00 0.00 66.00 64.34 1q3j h PRO 10 Cb 1.03 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.06 1q3j h PRO 10 CO 0.46 1.03 -0.47 0.27 -0.23 0.00 0.00 178.00 179.06 1q3j n ASN 11 N -3.89 -1.95 -1.65 1.44 6.94 -1.26 -4.05 115.26 110.84 1q3j n ASN 11 Ca -0.05 -3.26 -0.09 0.00 -0.02 0.00 0.00 54.58 51.16 1q3j n ASN 11 Cb 0.69 1.46 0.03 0.00 -2.36 0.00 0.00 39.78 39.59 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q3j n GLY 12 N 0.05 0.40 2.50 4.83 0.00 -1.26 -5.01 105.19 106.70 1q3j n GLY 12 Ca 0.04 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1q3j n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3j s SER 13 N -3.12 0.59 -0.13 1.61 0.01 -1.26 -5.11 113.70 106.29 1q3j s SER 13 Ca 0.21 -2.66 -0.29 0.00 1.31 0.00 0.00 55.95 54.52 1q3j s SER 13 Cb -0.09 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.33 1q3j s SER 13 CO 0.27 -0.14 1.88 -1.58 0.41 0.00 0.00 173.24 174.09 1q3j s GLN 14 N 0.32 3.74 -0.02 12.44 0.74 -1.25 -4.27 119.66 131.37 1q3j s GLN 14 Ca 0.32 2.07 -0.03 0.00 0.05 0.00 0.00 55.36 57.78 1q3j s GLN 14 Cb 0.02 -4.16 -0.01 0.00 1.10 0.00 0.00 33.01 29.96 1q3j s GLN 14 CO -0.15 -1.39 0.28 0.78 -0.55 0.00 0.00 175.29 174.26 1q3j h GLY 15 N 12.20 -0.09 -4.90 2.59 0.00 -0.93 -3.49 103.07 108.44 1q3j h GLY 15 Ca -0.41 0.04 0.21 0.00 0.00 0.00 0.00 47.33 47.17 1q3j h GLY 15 CO 0.97 -0.03 0.88 0.54 0.00 0.00 0.00 176.54 178.90 1q3j s ASN 16 N -3.43 -0.10 -0.20 0.19 4.22 -1.26 -5.14 114.94 109.22 1q3j s ASN 16 Ca -0.01 0.11 -0.16 0.00 -2.14 0.00 0.00 52.86 50.66 1q3j s ASN 16 Cb 0.00 0.08 0.06 0.00 1.28 0.00 0.00 41.25 42.67 1q3j s ASN 16 CO 0.04 -0.09 0.52 0.00 -2.04 0.00 0.00 177.10 175.54 1q3j h SER 19 N 0.44 0.29 0.00 0.00 4.64 -1.97 -3.49 113.55 113.46 1q3j h SER 19 Ca 0.12 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1q3j h SER 19 Cb 0.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1q3j h SER 19 CO -0.02 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.12 1q3j n GLY 20 N 1.84 0.53 2.64 -0.77 0.00 -1.22 -4.96 105.19 103.25 1q3j n GLY 20 Ca -0.26 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 1q3j n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q3j n TYR 21 N -2.77 2.65 -1.59 1.61 9.36 -1.26 -4.89 117.16 120.28 1q3j n TYR 21 Ca 0.00 -2.51 -0.42 0.00 3.32 0.00 0.00 57.90 58.30 1q3j n TYR 21 Cb 0.00 -1.36 -0.03 0.00 -0.63 0.00 0.00 39.34 37.32 1q3j n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q3j s HIS 23 N 4.46 3.75 -0.13 0.00 -0.00 -1.16 -4.77 115.29 117.44 1q3j s HIS 23 Ca 0.53 1.74 -0.30 0.00 -0.00 0.00 0.00 55.06 57.03 1q3j s HIS 23 Cb 0.13 -3.13 0.10 0.00 -0.00 0.00 0.00 32.58 29.67 1q3j s HIS 23 CO 0.02 -0.09 0.84 -1.59 -0.00 0.00 0.00 174.74 173.92 1q3j s LYS 24 N -0.34 0.81 0.20 -0.38 -2.85 -1.26 -2.96 119.74 112.95 1q3j s LYS 24 Ca 0.47 0.30 0.09 0.00 -1.00 0.00 0.00 55.97 55.83 1q3j s LYS 24 Cb -0.26 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 1q3j s LYS 24 CO 0.32 -0.23 -0.08 -0.65 0.10 0.00 0.00 175.35 174.81 1q3j s GLN 25 N -0.92 2.08 0.00 1.78 -1.52 -1.26 -5.00 119.66 114.82 1q3j s GLN 25 Ca -0.05 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 52.04 1q3j s GLN 25 Cb -0.01 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.64 1q3j s GLN 25 CO 0.05 0.42 0.54 -2.30 -0.25 0.00 0.00 175.29 173.75 1q3j n PRO 26 N -0.16 0.45 -0.10 2.91 -0.02 -1.26 -3.40 135.00 133.43 1q3j n PRO 26 Ca -0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.17 1q3j n PRO 26 Cb 0.56 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 1q3j n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q3j n GLY 27 N 0.97 -0.34 2.43 -1.23 0.00 -1.26 -5.04 105.19 100.72 1q3j n GLY 27 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1q3j n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1q3j n TRP 28 N -3.95 -3.23 0.00 1.61 2.14 -1.22 -5.09 117.44 107.70 1q3j n TRP 28 Ca -0.40 -1.05 0.00 0.00 2.07 0.00 0.00 57.50 58.12 1q3j n TRP 28 Cb 0.77 -0.48 0.00 0.00 -0.81 0.00 0.00 31.31 30.79 1q3j n TRP 28 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1q3j n VAL 29 N -2.42 0.00 -3.42 -1.67 0.31 -1.26 -4.94 118.33 104.92 1q3j n VAL 29 Ca 0.10 0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 64.08 1q3j n VAL 29 Cb 0.37 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.89 1q3j n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q3j s ALA 30 N -4.24 3.59 0.56 3.52 0.00 -1.26 -4.52 121.76 119.42 1q3j s ALA 30 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1q3j s ALA 30 Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 1q3j s ALA 30 CO 0.00 0.23 1.01 0.20 0.00 0.00 0.00 175.76 177.21 1q3j s GLY 31 N -0.18 1.96 0.05 0.00 0.00 -0.60 -4.84 107.32 103.71 1q3j s GLY 31 Ca 0.24 0.16 0.04 0.00 0.00 0.00 0.00 44.72 45.15 1q3j s GLY 31 CO 0.11 0.44 -0.11 -2.52 0.00 0.00 0.00 173.10 171.02 1q3j s TYR 32 N -2.74 0.94 0.26 1.90 -0.85 -1.16 0.53 117.35 116.23 1q3j s TYR 32 Ca 0.59 -0.44 -0.30 0.00 -0.52 0.00 0.00 57.07 56.41 1q3j s TYR 32 Cb -0.12 -0.55 -0.09 0.00 0.38 0.00 0.00 41.96 41.59 1q3j s TYR 32 CO 0.39 -0.01 1.14 0.00 -1.52 0.00 0.00 175.55 175.55 1q3j s ARG 34 N -1.13 2.34 -0.06 0.00 3.52 -1.04 -3.43 118.95 119.15 1q3j s ARG 34 Ca 0.47 -0.92 -0.02 0.00 -0.13 0.00 0.00 55.73 55.14 1q3j s ARG 34 Cb -0.33 -2.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1q3j s ARG 34 CO 0.41 0.47 0.02 1.03 -0.81 0.00 0.00 175.30 176.42 1q3j s ARG 35 N -0.38 0.33 0.00 5.12 0.52 -1.26 -4.77 118.95 118.51 1q3j s ARG 35 Ca 0.03 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1q3j s ARG 35 Cb -0.12 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.57 1q3j s ARG 35 CO 0.01 -0.31 0.00 1.63 0.02 0.00 0.00 175.30 176.65