#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9g h SER 2 N 0.00 -0.01 -0.63 1.61 0.02 -2.05 -1.54 113.55 110.96 2d9g h SER 2 Ca 0.00 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 2d9g h SER 2 Cb 0.00 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 62.61 2d9g h SER 2 CO 0.00 -0.02 -0.30 -1.28 -1.14 0.00 0.00 176.83 174.09 2d9g h SER 3 N 0.26 -1.04 -3.73 3.07 0.87 -2.12 -3.41 113.55 107.44 2d9g h SER 3 Ca 0.38 0.23 -0.21 0.00 -1.23 0.00 0.00 61.79 60.95 2d9g h SER 3 Cb 0.61 0.55 -0.28 0.00 -0.44 0.00 0.00 62.40 62.84 2d9g h SER 3 CO -0.48 -0.29 -0.59 -0.83 -0.53 0.00 0.00 176.83 174.12 2d9g s GLY 4 N -3.26 -0.08 -0.10 5.77 0.00 -0.58 -5.05 107.32 104.02 2d9g s GLY 4 Ca -0.14 0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 2d9g s GLY 4 CO 0.71 0.36 0.62 1.76 0.00 0.00 0.00 173.10 176.54 2d9g h SER 5 N 6.13 0.37 -2.68 1.64 0.02 -1.81 -3.32 113.55 113.90 2d9g h SER 5 Ca -0.27 -0.86 -0.56 0.00 -0.84 0.00 0.00 61.79 59.26 2d9g h SER 5 Cb 1.19 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2d9g h SER 5 CO 0.44 1.55 1.10 -0.44 -1.14 0.00 0.00 176.83 178.34 2d9g s SER 6 N -6.99 6.54 0.00 3.07 0.01 -1.26 -4.86 113.70 110.21 2d9g s SER 6 Ca -0.19 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2d9g s SER 6 Cb 0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2d9g s SER 6 CO 0.77 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2d9g n GLY 7 N 4.35 2.76 3.83 3.44 0.00 -1.26 -5.10 105.19 113.21 2d9g n GLY 7 Ca 0.18 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2d9g n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d9g s ASP 8 N 1.00 6.06 -1.56 1.61 -1.08 -1.26 -4.42 116.67 117.02 2d9g s ASP 8 Ca 0.00 0.36 -0.14 0.00 -0.52 0.00 0.00 52.55 52.25 2d9g s ASP 8 Cb 0.00 -1.89 0.10 0.00 -1.46 0.00 0.00 42.92 39.67 2d9g s ASP 8 CO 0.00 0.38 0.94 1.21 0.52 0.00 0.00 175.17 178.22 2d9g n GLU 9 N 1.89 -5.06 -2.02 4.34 4.07 -1.26 -4.88 120.64 117.72 2d9g n GLU 9 Ca -0.19 0.55 -0.28 0.00 -0.06 0.00 0.00 57.16 57.19 2d9g n GLU 9 Cb 0.54 -5.40 0.03 0.00 -0.06 0.00 0.00 31.44 26.55 2d9g n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2d9g n GLY 10 N -1.64 6.13 3.34 8.31 0.00 -1.26 -5.00 105.19 115.07 2d9g n GLY 10 Ca 0.04 -2.62 -0.13 0.00 0.00 0.00 0.00 46.02 43.31 2d9g n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d9g s TYR 11 N -3.67 -0.30 -0.03 1.61 -0.85 -1.26 -0.73 117.35 112.12 2d9g s TYR 11 Ca 0.53 0.29 0.06 0.00 -0.52 0.00 0.00 57.07 57.43 2d9g s TYR 11 Cb 0.43 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 43.00 2d9g s TYR 11 CO -0.07 -0.58 -0.22 1.67 -1.52 0.00 0.00 175.55 174.82 2d9g s TRP 12 N -2.41 2.10 -0.17 -3.49 1.48 -1.23 -4.80 118.94 110.42 2d9g s TRP 12 Ca -0.06 -0.50 -0.27 0.00 -1.06 0.00 0.00 56.10 54.22 2d9g s TRP 12 Cb -0.01 -1.37 -0.01 0.00 -1.16 0.00 0.00 33.47 30.92 2d9g s TRP 12 CO -0.02 -0.11 0.90 0.16 -4.06 0.00 0.00 176.95 173.82 2d9g s ASP 13 N -0.33 7.02 0.80 -2.66 -4.77 -1.26 -3.32 116.67 112.15 2d9g s ASP 13 Ca 0.03 1.26 -0.11 0.00 -3.30 0.00 0.00 52.55 50.43 2d9g s ASP 13 Cb -0.11 -2.48 0.07 0.00 -1.09 0.00 0.00 42.92 39.31 2d9g s ASP 13 CO 0.01 -0.46 1.09 0.00 0.70 0.00 0.00 175.17 176.51 2d9g n SER 15 N -3.57 3.70 0.31 0.00 3.41 -1.26 -3.68 113.62 112.53 2d9g n SER 15 Ca 0.08 -0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2d9g n SER 15 Cb 0.54 0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 65.03 2d9g n SER 15 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9g h VAL 16 N 0.00 0.01 -0.26 -3.33 2.07 -1.96 -3.35 116.25 109.43 2d9g h VAL 16 Ca -0.14 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2d9g h VAL 16 Cb 1.32 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2d9g h VAL 16 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2d9g n THR 18 N 0.47 -0.57 -3.12 0.00 5.66 -1.24 -4.91 114.28 110.56 2d9g n THR 18 Ca 0.10 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.79 2d9g n THR 18 Cb 0.38 -1.36 -0.05 0.00 -1.55 0.00 0.00 70.33 67.76 2d9g n THR 18 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2d9g s PHE 19 N -2.60 3.43 -0.15 1.09 5.36 -1.26 -4.68 117.98 119.16 2d9g s PHE 19 Ca 0.15 1.02 -0.23 0.00 -0.96 0.00 0.00 56.93 56.92 2d9g s PHE 19 Cb -0.08 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.18 2d9g s PHE 19 CO 0.19 0.07 0.70 0.50 -1.46 0.00 0.00 175.22 175.22 2d9g s ARG 20 N -3.31 4.30 0.48 10.12 3.52 -1.26 -2.31 118.95 130.49 2d9g s ARG 20 Ca 0.51 0.79 0.02 0.00 -0.13 0.00 0.00 55.73 56.92 2d9g s ARG 20 Cb -0.10 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2d9g s ARG 20 CO 0.24 -0.17 0.03 -0.80 -0.81 0.00 0.00 175.30 173.80 2d9g s ASN 21 N 1.06 3.79 -0.07 -2.12 0.01 -1.21 -4.99 114.94 111.40 2d9g s ASN 21 Ca 0.34 -1.65 -0.07 0.00 -0.71 0.00 0.00 52.86 50.77 2d9g s ASN 21 Cb -0.16 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.94 2d9g s ASN 21 CO 0.13 -0.86 0.19 -0.94 -1.51 0.00 0.00 177.10 174.11 2d9g s SER 22 N -3.80 6.44 0.29 -1.22 1.04 -1.26 -3.48 113.70 111.70 2d9g s SER 22 Ca 0.11 0.51 0.02 0.00 0.48 0.00 0.00 55.95 57.07 2d9g s SER 22 Cb 0.02 -2.08 0.70 0.00 0.10 0.00 0.00 66.02 64.77 2d9g s SER 22 CO 0.06 0.35 1.67 0.00 0.98 0.00 0.00 173.24 176.30 2d9g h ALA 23 N 4.59 1.32 0.09 5.32 0.00 -1.24 -0.52 119.26 128.82 2d9g h ALA 23 Ca -0.53 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2d9g h ALA 23 Cb 1.22 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2d9g h ALA 23 CO 0.62 -0.42 -0.23 1.49 0.00 0.00 0.00 179.25 180.71 2d9g h GLU 24 N 0.28 -0.39 -6.21 0.00 4.57 -1.94 -3.41 114.58 107.48 2d9g h GLU 24 Ca 0.55 0.03 -0.64 0.00 -1.18 0.00 0.00 59.36 58.11 2d9g h GLU 24 Cb 1.08 0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2d9g h GLU 24 CO -0.60 -0.26 1.12 0.00 -1.18 0.00 0.00 179.01 178.09 2d9g n ALA 25 N -2.56 0.75 0.11 2.92 0.00 -0.20 -4.84 120.51 116.68 2d9g n ALA 25 Ca -0.06 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 2d9g n ALA 25 Cb 0.26 -2.47 0.03 0.00 0.00 0.00 0.00 19.45 17.27 2d9g n ALA 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2d9g h PHE 26 N 9.47 0.00 -2.11 0.00 -0.00 -1.83 -3.44 116.94 119.04 2d9g h PHE 26 Ca -0.46 0.00 -0.58 0.00 -0.00 0.00 0.00 57.97 56.93 2d9g h PHE 26 Cb 1.28 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.10 2d9g h PHE 26 CO 0.87 0.71 -0.66 -1.59 -0.00 0.00 0.00 178.31 177.64 2d9g s LYS 27 N -3.05 1.77 0.68 6.09 0.00 -1.26 -4.05 119.74 119.91 2d9g s LYS 27 Ca 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 55.97 53.93 2d9g s LYS 27 Cb 0.10 -1.52 0.00 0.00 0.00 0.00 0.00 37.83 36.41 2d9g s LYS 27 CO 0.77 0.07 1.06 0.00 0.00 0.00 0.00 175.35 177.25 2d9g n MET 29 N -2.88 1.18 -0.04 0.00 2.81 -1.26 -3.45 117.12 113.47 2d9g n MET 29 Ca 0.08 -0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.90 2d9g n MET 29 Cb 0.53 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.65 2d9g n MET 29 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 2d9g h MET 30 N 0.00 0.00 0.00 0.03 1.85 -1.96 -3.39 114.93 111.46 2d9g h MET 30 Ca -0.28 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2d9g h MET 30 Cb 1.56 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.59 2d9g h MET 30 CO 0.02 0.00 -0.49 0.00 -0.40 0.00 0.00 176.91 176.03 2d9g n ASP 32 N -2.90 -4.29 -4.46 0.00 -0.08 -1.22 -4.99 116.55 98.61 2d9g n ASP 32 Ca 0.02 -0.66 -0.33 0.00 -1.51 0.00 0.00 54.79 52.31 2d9g n ASP 32 Cb 0.54 -4.64 -0.13 0.00 2.34 0.00 0.00 41.12 39.23 2d9g n ASP 32 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2d9g s VAL 33 N -3.38 3.22 0.54 5.18 1.01 -1.26 -4.79 120.40 120.92 2d9g s VAL 33 Ca 0.39 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 2d9g s VAL 33 Cb -0.18 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 2d9g s VAL 33 CO 0.77 0.56 0.80 -2.11 0.00 0.00 0.00 175.10 175.12 2d9g n ARG 34 N 2.82 0.85 -0.18 2.72 0.00 -1.26 -3.25 116.66 118.36 2d9g n ARG 34 Ca -0.18 0.32 0.06 0.00 -0.00 0.00 0.00 57.85 58.05 2d9g n ARG 34 Cb 0.52 -1.94 0.16 0.00 -0.00 0.00 0.00 32.46 31.20 2d9g n ARG 34 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2d9g n LYS 35 N -0.32 2.82 -2.04 2.89 2.85 -1.26 -4.93 118.16 118.16 2d9g n LYS 35 Ca 0.12 -2.06 -0.30 0.00 -1.05 0.00 0.00 58.31 55.02 2d9g n LYS 35 Cb 0.45 -1.28 0.01 0.00 -0.65 0.00 0.00 35.03 33.56 2d9g n LYS 35 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2d9g s GLY 36 N -1.00 1.62 -0.11 2.58 0.00 -1.26 -5.02 107.32 104.14 2d9g s GLY 36 Ca 0.24 -0.20 -0.19 0.00 0.00 0.00 0.00 44.72 44.57 2d9g s GLY 36 CO 0.17 0.05 0.62 -0.91 0.00 0.00 0.00 173.10 173.03 2d9g h THR 37 N -0.21 1.22 -3.32 0.90 1.35 -2.04 -3.46 112.91 107.35 2d9g h THR 37 Ca -0.45 -2.40 -0.60 0.00 -0.55 0.00 0.00 66.41 62.41 2d9g h THR 37 Cb 1.20 2.86 -0.34 0.00 -1.73 0.00 0.00 68.15 70.13 2d9g h THR 37 CO 0.62 0.65 -0.85 -0.55 -0.25 0.00 0.00 175.52 175.14 2d9g s SER 38 N -6.90 2.52 -0.47 5.36 0.15 -1.26 -5.09 113.70 108.01 2d9g s SER 38 Ca -0.19 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.72 2d9g s SER 38 Cb 0.03 -1.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 2d9g s SER 38 CO 0.75 0.07 1.46 -0.89 1.20 0.00 0.00 173.24 175.83 2d9g s THR 39 N 0.69 3.81 -0.20 6.45 2.01 -1.26 -4.86 115.64 122.27 2d9g s THR 39 Ca -0.13 0.77 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 2d9g s THR 39 Cb -0.16 -4.24 -0.17 0.00 0.01 0.00 0.00 72.50 67.94 2d9g s THR 39 CO 0.03 -0.89 0.16 0.54 -0.69 0.00 0.00 174.62 173.77 2d9g n ARG 40 N 8.35 0.55 -2.64 4.92 1.74 -1.26 -4.90 116.66 123.43 2d9g n ARG 40 Ca 0.16 0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 2d9g n ARG 40 Cb 0.49 -1.74 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 2d9g n ARG 40 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2d9g s LYS 41 N -2.35 4.64 0.00 5.56 2.47 -1.26 -4.91 119.74 123.89 2d9g s LYS 41 Ca -0.27 1.55 0.08 0.00 -1.56 0.00 0.00 55.97 55.77 2d9g s LYS 41 Cb 0.06 -3.35 0.49 0.00 -1.46 0.00 0.00 37.83 33.56 2d9g s LYS 41 CO 0.55 0.12 0.93 -0.35 0.16 0.00 0.00 175.35 176.76 2d9g n PRO 42 N 2.81 0.49 -3.38 4.03 -0.04 -1.26 -4.65 135.00 133.00 2d9g n PRO 42 Ca 0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 2d9g n PRO 42 Cb 0.48 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2d9g n PRO 42 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2d9g s ARG 43 N -2.00 3.81 -0.02 0.54 1.70 -1.26 -4.98 118.95 116.74 2d9g s ARG 43 Ca 0.12 -0.15 -0.25 0.00 -0.47 0.00 0.00 55.73 54.98 2d9g s ARG 43 Cb 0.06 -3.73 -0.19 0.00 -0.57 0.00 0.00 34.95 30.52 2d9g s ARG 43 CO 0.09 -0.41 1.19 -1.00 -1.08 0.00 0.00 175.30 174.09 2d9g h PRO 44 N 8.32 -0.11 -2.19 3.89 0.13 -2.04 -3.47 132.00 136.52 2d9g h PRO 44 Ca -0.31 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2d9g h PRO 44 Cb 1.15 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2d9g h PRO 44 CO 0.68 0.33 0.08 0.14 -0.23 0.00 0.00 178.00 179.00 2d9g s VAL 45 N -4.18 0.01 -0.24 1.56 -7.23 -1.26 -4.91 120.40 104.14 2d9g s VAL 45 Ca -0.15 -0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.75 2d9g s VAL 45 Cb 0.02 -0.92 0.06 0.00 0.56 0.00 0.00 36.38 36.10 2d9g s VAL 45 CO 0.61 -0.03 0.64 -0.44 -0.31 0.00 0.00 175.10 175.57 2d9g s SER 46 N -0.71 -0.69 -0.21 4.85 0.01 -1.26 -5.14 113.70 110.54 2d9g s SER 46 Ca -0.08 1.31 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 2d9g s SER 46 Cb -0.02 1.31 0.06 0.00 0.21 0.00 0.00 66.02 67.58 2d9g s SER 46 CO 0.06 -0.22 -0.02 -1.58 0.41 0.00 0.00 173.24 171.89 2d9g s GLN 47 N 0.50 1.23 -0.03 12.44 0.74 -1.26 -5.12 119.66 128.17 2d9g s GLN 47 Ca -0.01 -0.74 -0.04 0.00 0.05 0.00 0.00 55.36 54.62 2d9g s GLN 47 Cb -0.05 -2.37 0.01 0.00 1.10 0.00 0.00 33.01 31.70 2d9g s GLN 47 CO -0.02 -0.60 0.10 0.45 -0.55 0.00 0.00 175.29 174.67 2d9g s SER 48 N 1.59 -0.06 0.00 6.67 0.15 -1.26 -5.11 113.70 115.68 2d9g s SER 48 Ca -0.04 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2d9g s SER 48 Cb -0.18 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2d9g s SER 48 CO -0.07 -0.10 0.10 0.61 1.20 0.00 0.00 173.24 174.98 2d9g n GLY 49 N 2.70 0.52 3.77 9.45 0.00 -1.26 -4.90 105.19 115.47 2d9g n GLY 49 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2d9g n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9g s PRO 50 N -0.47 3.84 -0.19 1.61 0.04 -1.26 -4.99 135.00 133.57 2d9g s PRO 50 Ca 0.00 1.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 2d9g s PRO 50 Cb 0.00 -2.49 -0.21 0.00 0.04 0.00 0.00 34.50 31.85 2d9g s PRO 50 CO 0.00 -0.50 0.34 1.03 0.04 0.00 0.00 177.00 177.91 2d9g h SER 51 N 2.21 0.00 -0.99 6.66 0.87 -2.06 -3.36 113.55 116.88 2d9g h SER 51 Ca -0.49 -0.62 0.33 0.00 -1.23 0.00 0.00 61.79 59.78 2d9g h SER 51 Cb 1.24 -0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.02 2d9g h SER 51 CO 0.61 1.39 0.23 -0.24 -0.53 0.00 0.00 176.83 178.29 2d9g n SER 52 N -4.47 0.07 -0.39 6.23 2.88 -1.26 -5.22 113.62 111.47 2d9g n SER 52 Ca -0.27 1.67 0.05 0.00 -1.33 0.00 0.00 58.87 58.99 2d9g n SER 52 Cb 0.64 -0.69 0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2d9g n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42