#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s ARG 6 N 0.00 3.29 0.00 5.55 3.00 -1.26 -1.80 118.95 127.73 2wrj s ARG 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55.73 55.73 2wrj s ARG 6 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 34.95 32.56 2wrj s ARG 6 CO 0.00 -0.33 0.00 -0.89 0.00 0.00 0.00 175.30 174.08 2wrj n ILE 7 N -2.29 0.00 0.00 1.52 -0.00 -1.26 -4.52 119.36 112.80 2wrj n ILE 7 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 2wrj n ILE 7 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 2wrj n ILE 7 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2wrj n LYS 8 N -2.00 2.24 0.00 0.38 3.00 -1.22 -3.32 118.16 117.25 2wrj n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wrj n LYS 8 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.06 2wrj n LYS 8 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2wrj n LEU 9 N -1.67 0.00 -4.85 3.14 -0.00 -0.75 -2.90 117.00 109.97 2wrj n LEU 9 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 2wrj n LEU 9 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.66 2wrj n LEU 9 CO 0.00 0.00 0.69 -1.48 -0.00 0.00 0.00 177.39 176.60 2wrj s LEU 10 N 0.00 3.51 0.35 1.47 2.34 -1.26 -2.13 118.68 122.95 2wrj s LEU 10 Ca 0.00 1.55 -0.16 0.00 0.06 0.00 0.00 54.13 55.58 2wrj s LEU 10 Cb 0.00 -4.50 0.04 0.00 -0.56 0.00 0.00 46.19 41.17 2wrj s LEU 10 CO 0.00 -0.71 0.74 -1.48 -1.06 0.00 0.00 176.35 173.84 2wrj s LEU 11 N -4.41 -0.00 0.12 1.48 -0.00 -1.13 -4.79 118.68 109.94 2wrj s LEU 11 Ca 0.58 -1.01 0.05 0.00 -0.00 0.00 0.00 54.13 53.75 2wrj s LEU 11 Cb -0.11 2.71 -0.04 0.00 -0.00 0.00 0.00 46.19 48.76 2wrj s LEU 11 CO 0.38 -1.56 -0.12 -1.61 -0.00 0.00 0.00 176.35 173.44 2wrj s GLU 12 N -2.84 0.97 0.10 1.48 2.02 -1.17 -1.62 118.70 117.63 2wrj s GLU 12 Ca 0.15 -1.24 0.07 0.00 0.02 0.00 0.00 54.97 53.97 2wrj s GLU 12 Cb -0.05 -0.73 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 2wrj s GLU 12 CO 0.11 0.13 -0.08 0.00 0.02 0.00 0.00 175.26 175.44 2wrj s THR 14 N -1.25 0.68 0.42 0.00 -1.32 -1.03 -2.17 115.64 110.98 2wrj s THR 14 Ca 0.23 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.35 2wrj s THR 14 Cb -0.11 -0.76 -0.09 0.00 -1.51 0.00 0.00 72.50 70.03 2wrj s THR 14 CO 0.15 0.30 1.38 -0.70 -2.21 0.00 0.00 174.62 173.54 2wrj s GLU 15 N 1.66 3.86 0.00 7.08 2.12 -1.07 -2.92 118.70 129.43 2wrj s GLU 15 Ca 0.02 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.68 2wrj s GLU 15 Cb -0.13 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.52 2wrj s GLU 15 CO -0.05 -0.64 0.00 0.00 -0.54 0.00 0.00 175.26 174.03 2wrj n LYS 17 N -0.32 -6.72 -0.02 0.00 4.01 -1.26 -4.76 118.16 109.09 2wrj n LYS 17 Ca 0.00 0.72 0.00 0.00 -0.51 0.00 0.00 58.31 58.52 2wrj n LYS 17 Cb 0.00 -5.68 0.00 0.00 -0.51 0.00 0.00 35.03 28.84 2wrj n LYS 17 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2wrj n ARG 18 N -4.78 0.00 0.00 1.97 3.00 -1.24 -4.54 116.66 111.07 2wrj n ARG 18 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2wrj n ARG 18 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 33.00 2wrj n ARG 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wrj n ARG 19 N -0.11 0.00 0.00 -0.14 3.00 -1.26 -4.77 116.66 113.38 2wrj n ARG 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wrj n ARG 19 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 2wrj n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2wrj n ASN 20 N 1.51 0.00 -4.47 0.55 3.02 -1.26 -4.49 115.26 110.12 2wrj n ASN 20 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 2wrj n ASN 20 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2wrj n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wrj s TYR 21 N 0.00 1.76 0.00 3.10 1.51 -1.26 -2.60 117.35 119.86 2wrj s TYR 21 Ca 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 2wrj s TYR 21 Cb 0.00 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 2wrj s TYR 21 CO 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 175.55 174.40 2wrj n ALA 22 N -1.17 0.78 -1.70 3.71 0.00 -0.92 -4.89 120.51 116.32 2wrj n ALA 22 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wrj n ALA 22 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2wrj n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wrj n THR 23 N -2.41 -6.90 0.00 0.00 -2.24 -1.26 -4.85 114.28 96.62 2wrj n THR 23 Ca 0.00 2.51 0.00 0.00 -2.27 0.00 0.00 64.05 64.29 2wrj n THR 23 Cb 0.00 -3.65 0.00 0.00 -2.10 0.00 0.00 70.33 64.58 2wrj n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wrj n GLU 24 N 0.70 0.08 -3.73 -0.78 -0.58 -0.64 -4.89 120.64 110.81 2wrj n GLU 24 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2wrj n GLU 24 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 2wrj n GLU 24 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2wrj s LYS 25 N 4.38 0.67 0.00 3.49 2.20 -1.26 -2.85 119.74 126.38 2wrj s LYS 25 Ca 0.00 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2wrj s LYS 25 Cb 0.00 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2wrj s LYS 25 CO 0.00 -0.18 0.00 0.09 -0.36 0.00 0.00 175.35 174.90 2wrj n ASN 26 N 1.48 0.00 0.00 1.43 3.02 -0.91 -4.93 115.26 115.36 2wrj n ASN 26 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2wrj n ASN 26 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2wrj n ASN 26 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2wrj n LYS 27 N 0.00 0.00 0.00 3.52 0.00 -1.20 -4.79 118.16 115.69 2wrj n LYS 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2wrj n LYS 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wrj n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wrj n ARG 28 N 0.00 0.00 -0.14 1.64 1.74 -1.21 -0.64 116.66 118.06 2wrj n ARG 28 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2wrj n ARG 28 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2wrj n ARG 28 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 2wrj h ASN 29 N 0.00 -0.52 -3.36 0.55 7.08 -1.82 -3.22 115.58 114.28 2wrj h ASN 29 Ca 0.00 0.15 -0.54 0.00 -3.08 0.00 0.00 56.30 52.83 2wrj h ASN 29 Cb 0.00 0.32 0.21 0.00 -2.08 0.00 0.00 38.32 36.77 2wrj h ASN 29 CO 0.00 -0.18 -0.54 1.07 -2.08 0.00 0.00 177.43 175.70 2wrj n THR 30 N -5.36 0.43 -0.50 6.14 5.66 0.19 -4.07 114.28 116.76 2wrj n THR 30 Ca 0.03 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2wrj n THR 30 Cb 0.27 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 2wrj n THR 30 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2wrj n PRO 31 N -1.46 0.00 -3.40 1.09 -0.02 -1.26 -4.72 135.00 125.22 2wrj n PRO 31 Ca 0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.53 2wrj n PRO 31 Cb 0.53 -0.50 -0.05 0.00 -0.02 0.00 0.00 33.50 33.46 2wrj n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2wrj s ASN 32 N 0.09 -0.74 0.00 2.55 0.01 -1.22 -5.01 114.94 110.62 2wrj s ASN 32 Ca 0.00 0.89 0.00 0.00 -0.71 0.00 0.00 52.86 53.04 2wrj s ASN 32 Cb 0.00 1.80 0.00 0.00 0.41 0.00 0.00 41.25 43.46 2wrj s ASN 32 CO 0.00 -0.26 0.00 1.17 -1.51 0.00 0.00 177.10 176.50 2wrj n LYS 33 N 5.41 0.00 -4.32 -0.60 4.81 -1.26 -4.63 118.16 117.57 2wrj n LYS 33 Ca -0.05 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.09 2wrj n LYS 33 Cb 0.50 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.44 2wrj n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wrj s LEU 34 N 0.00 2.76 0.53 3.14 1.43 -1.26 -5.00 118.68 120.28 2wrj s LEU 34 Ca 0.00 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 2wrj s LEU 34 Cb 0.00 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 2wrj s LEU 34 CO 0.00 0.19 1.02 -0.70 0.23 0.00 0.00 176.35 177.09 2wrj s GLU 35 N -2.08 3.69 -0.30 1.70 2.56 -1.26 -4.91 118.70 118.10 2wrj s GLU 35 Ca 0.18 1.18 -0.14 0.00 0.00 0.00 0.00 54.97 56.19 2wrj s GLU 35 Cb -0.11 -2.09 0.18 0.00 2.00 0.00 0.00 34.13 34.12 2wrj s GLU 35 CO 0.10 -0.50 1.13 -1.17 -0.56 0.00 0.00 175.26 174.26 2wrj s LEU 36 N -4.00 -0.21 -0.17 2.70 2.96 -1.26 -2.48 118.68 116.21 2wrj s LEU 36 Ca 0.63 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 2wrj s LEU 36 Cb -0.14 1.14 0.06 0.00 0.50 0.00 0.00 46.19 47.75 2wrj s LEU 36 CO 0.29 -0.04 0.43 0.00 -1.32 0.00 0.00 176.35 175.70 2wrj s ARG 37 N 2.98 0.43 0.08 1.98 1.70 -1.10 -5.01 118.95 120.00 2wrj s ARG 37 Ca 0.23 0.78 -0.36 0.00 -0.47 0.00 0.00 55.73 55.91 2wrj s ARG 37 Cb -0.02 0.03 -0.18 0.00 -0.57 0.00 0.00 34.95 34.20 2wrj s ARG 37 CO -0.20 -0.14 0.95 1.17 -1.08 0.00 0.00 175.30 176.00 2wrj n LYS 38 N 4.03 0.20 -3.57 3.89 4.81 -1.18 -4.35 118.16 121.98 2wrj n LYS 38 Ca -0.22 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.14 2wrj n LYS 38 Cb 0.56 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 2wrj n LYS 38 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2wrj s TYR 39 N -0.27 -0.49 -0.23 5.64 5.04 -1.23 -4.90 117.35 120.91 2wrj s TYR 39 Ca 0.81 0.71 -0.11 0.00 -2.44 0.00 0.00 57.07 56.03 2wrj s TYR 39 Cb -1.11 0.34 -0.05 0.00 0.35 0.00 0.00 41.96 41.49 2wrj s TYR 39 CO 0.56 -0.60 0.19 0.00 -1.34 0.00 0.00 175.55 174.36 2wrj s PRO 41 N 0.97 3.17 0.02 0.00 0.04 -1.18 -4.98 135.00 133.04 2wrj s PRO 41 Ca 0.09 -0.66 -0.05 0.00 0.04 0.00 0.00 61.00 60.43 2wrj s PRO 41 Cb -0.13 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2wrj s PRO 41 CO 0.04 0.34 0.51 1.87 0.04 0.00 0.00 177.00 179.80 2wrj n TRP 42 N 3.16 -0.07 -1.54 0.56 -0.00 -1.26 -3.49 117.44 114.80 2wrj n TRP 42 Ca -0.18 0.20 -0.30 0.00 -0.00 0.00 0.00 57.50 57.22 2wrj n TRP 42 Cb 0.53 -0.33 -0.09 0.00 -0.00 0.00 0.00 31.31 31.42 2wrj n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2wrj n ARG 44 N 8.48 0.00 0.00 0.00 1.74 -1.23 -5.00 116.66 120.65 2wrj n ARG 44 Ca 0.48 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2wrj n ARG 44 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 2wrj n ARG 44 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wrj n LYS 45 N 1.36 0.70 -3.55 5.56 5.02 -1.26 -4.87 118.16 121.12 2wrj n LYS 45 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2wrj n LYS 45 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2wrj n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2wrj s HIS 46 N 4.06 3.54 0.00 2.13 3.76 -1.26 -3.09 115.29 124.43 2wrj s HIS 46 Ca 0.00 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2wrj s HIS 46 Cb 0.00 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2wrj s HIS 46 CO 0.00 0.45 0.00 -2.37 -0.85 0.00 0.00 174.74 171.97 2wrj n THR 47 N 0.57 0.00 0.00 1.30 5.66 0.23 -4.93 114.28 117.11 2wrj n THR 47 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2wrj n THR 47 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2wrj n THR 47 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wrj n VAL 48 N 0.00 0.00 -0.36 1.08 0.24 -1.26 -3.67 118.33 114.36 2wrj n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wrj n VAL 48 Cb 0.00 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2wrj n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wrj n HIS 49 N -2.38 -1.00 -4.18 6.34 8.25 -1.15 -3.12 115.22 117.99 2wrj n HIS 49 Ca 0.00 0.54 -0.11 0.00 -0.26 0.00 0.00 57.72 57.89 2wrj n HIS 49 Cb 0.00 -1.31 -0.10 0.00 1.12 0.00 0.00 29.99 29.70 2wrj n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2wrj s ARG 50 N -4.60 1.09 1.21 -0.41 1.70 -1.18 -2.70 118.95 114.05 2wrj s ARG 50 Ca 0.00 -1.55 -0.20 0.00 -0.47 0.00 0.00 55.73 53.51 2wrj s ARG 50 Cb 0.00 0.26 0.30 0.00 -0.57 0.00 0.00 34.95 34.94 2wrj s ARG 50 CO 0.00 -0.33 1.05 -1.91 -1.08 0.00 0.00 175.30 173.02 2wrj n GLU 51 N -0.20 -3.20 0.00 3.89 2.13 -1.04 -2.46 120.64 119.77 2wrj n GLU 51 Ca -0.01 -1.68 0.00 0.00 0.66 0.00 0.00 57.16 56.13 2wrj n GLU 51 Cb 0.65 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.75 2wrj n GLU 51 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2wrj n VAL 52 N -4.86 0.00 -1.48 6.31 3.14 -0.93 -4.74 118.33 115.78 2wrj n VAL 52 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2wrj n VAL 52 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 2wrj n VAL 52 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2wrj n LYS 53 N -1.08 0.00 0.00 1.45 3.00 -1.26 -3.04 118.16 117.23 2wrj n LYS 53 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2wrj n LYS 53 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 35.03 35.42 2wrj n LYS 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84