#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myn s LEU 3 N -3.18 3.92 0.37 0.00 1.43 -1.26 -0.08 118.68 119.87 1myn s LEU 3 Ca 0.34 0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 53.35 1myn s LEU 3 Cb 0.03 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.98 1myn s LEU 3 CO 0.16 0.31 1.43 -0.55 0.23 0.00 0.00 176.35 177.94 1myn s SER 4 N -1.47 6.45 0.01 2.29 0.15 -0.34 -4.85 113.70 115.95 1myn s SER 4 Ca 0.20 2.95 0.22 0.00 0.70 0.00 0.00 55.95 60.02 1myn s SER 4 Cb -0.12 -2.66 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1myn s SER 4 CO 0.10 -0.79 0.99 0.61 1.20 0.00 0.00 173.24 175.36 1myn n GLY 5 N 0.55 -1.10 0.09 9.45 0.00 -1.26 -4.34 105.19 108.58 1myn n GLY 5 Ca 0.01 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1myn n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 6 N -1.70 1.05 -2.78 1.61 3.00 -1.26 -4.97 116.66 111.61 1myn n ARG 6 Ca 0.03 0.03 -0.36 0.00 -0.01 0.00 0.00 57.85 57.55 1myn n ARG 6 Cb 0.38 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.35 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1myn s TYR 7 N -2.41 3.55 0.08 -1.55 6.14 -1.26 -5.06 117.35 116.84 1myn s TYR 7 Ca -0.15 1.72 -0.10 0.00 0.64 0.00 0.00 57.07 59.18 1myn s TYR 7 Cb 0.06 -2.91 0.01 0.00 0.42 0.00 0.00 41.96 39.54 1myn s TYR 7 CO 0.63 0.07 0.24 0.15 0.64 0.00 0.00 175.55 177.27 1myn s LYS 8 N -2.44 0.86 0.00 4.97 1.02 -1.26 -4.87 119.74 118.02 1myn s LYS 8 Ca 0.54 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1myn s LYS 8 Cb -0.16 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1myn s LYS 8 CO 0.20 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1myn n GLY 9 N 0.05 1.65 3.76 -3.33 0.00 -1.26 -4.96 105.19 101.11 1myn n GLY 9 Ca -0.16 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 1myn n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1myn s PRO 10 N -1.85 4.42 -0.31 1.61 0.05 -1.26 -4.81 135.00 132.84 1myn s PRO 10 Ca 0.00 1.88 -0.07 0.00 0.05 0.00 0.00 61.00 62.87 1myn s PRO 10 Cb 0.00 -3.00 0.02 0.00 0.05 0.00 0.00 34.50 31.56 1myn s PRO 10 CO 0.00 -0.02 0.09 0.00 0.05 0.00 0.00 177.00 177.12 1myn n ALA 12 N 4.85 0.22 0.24 0.00 0.00 -1.26 -3.96 120.51 120.61 1myn n ALA 12 Ca -0.14 -0.95 0.13 0.00 0.00 0.00 0.00 53.44 52.48 1myn n ALA 12 Cb 0.47 0.49 0.53 0.00 0.00 0.00 0.00 19.45 20.94 1myn n ALA 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1myn h VAL 13 N 0.99 0.05 -0.54 0.00 -1.51 -1.98 0.20 116.25 113.46 1myn h VAL 13 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1myn h VAL 13 Cb 0.53 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1myn h VAL 13 CO 0.28 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.95 1myn n TRP 14 N -2.93 0.71 -0.02 5.19 2.14 -1.26 -4.36 117.44 116.91 1myn n TRP 14 Ca 0.02 -0.37 0.00 0.00 2.07 0.00 0.00 57.50 59.22 1myn n TRP 14 Cb 0.71 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.21 1myn n TRP 14 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1myn n ASP 15 N 1.51 1.33 0.05 -0.67 8.00 0.70 -4.82 116.55 122.65 1myn n ASP 15 Ca 0.21 -1.35 -0.13 0.00 0.71 0.00 0.00 54.79 54.24 1myn n ASP 15 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 1myn n ASP 15 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1myn h ASN 16 N 0.00 -0.13 -0.87 -2.24 7.08 -1.75 -2.89 115.58 114.78 1myn h ASN 16 Ca 0.00 -0.33 0.19 0.00 -3.08 0.00 0.00 56.30 53.09 1myn h ASN 16 Cb 0.19 0.03 -0.11 0.00 -2.08 0.00 0.00 38.32 36.35 1myn h ASN 16 CO 0.00 0.28 0.40 -0.08 -2.08 0.00 0.00 177.43 175.95 1myn h GLU 17 N -0.55 0.46 -0.56 4.14 4.81 -1.89 0.80 114.58 121.79 1myn h GLU 17 Ca -0.02 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1myn h GLU 17 Cb 0.44 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1myn h GLU 17 CO 0.03 0.30 -0.00 1.15 -0.73 0.00 0.00 179.01 179.76 1myn h THR 18 N 0.47 0.54 0.15 0.32 2.02 -1.85 0.45 112.91 115.02 1myn h THR 18 Ca 0.52 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 1myn h THR 18 Cb 0.91 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1myn h THR 18 CO -0.47 0.02 -0.09 0.00 0.37 0.00 0.00 175.52 175.35 1myn h ARG 20 N -0.23 0.10 0.09 0.00 3.08 0.25 0.28 114.38 117.96 1myn h ARG 20 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1myn h ARG 20 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1myn h ARG 20 CO 0.02 0.07 -0.05 0.00 -1.07 0.00 0.00 179.97 178.94 1myn h ARG 21 N 0.10 -0.12 -0.40 0.04 3.08 -0.07 -1.27 114.38 115.74 1myn h ARG 21 Ca 0.46 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.57 1myn h ARG 21 Cb 0.85 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 1myn h ARG 21 CO -0.71 0.37 0.13 0.28 -1.07 0.00 0.00 179.97 178.97 1myn h VAL 22 N -0.71 0.86 -0.51 2.04 2.07 -0.10 0.50 116.25 120.40 1myn h VAL 22 Ca -0.01 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1myn h VAL 22 Cb 0.55 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1myn h VAL 22 CO 0.02 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 1myn h LYS 24 N 0.84 0.97 0.28 0.00 3.64 -0.26 0.70 116.57 122.73 1myn h LYS 24 Ca 0.14 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1myn h LYS 24 Cb 0.63 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1myn h LYS 24 CO 0.04 0.84 -0.34 0.93 -2.27 0.00 0.00 179.45 178.66 1myn h GLU 25 N 0.94 -0.64 -1.00 1.90 4.39 0.83 0.33 114.58 121.33 1myn h GLU 25 Ca 0.21 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.14 1myn h GLU 25 Cb 0.28 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 1myn h GLU 25 CO -0.01 -0.43 0.61 1.49 -1.16 0.00 0.00 179.01 179.52 1myn h GLU 26 N -0.66 0.72 0.00 2.33 4.22 -0.70 -3.45 114.58 117.03 1myn h GLU 26 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1myn h GLU 26 Cb 0.62 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1myn h GLU 26 CO -0.10 0.47 0.00 0.41 -2.18 0.00 0.00 179.01 177.62 1myn n GLY 27 N -1.34 1.58 0.00 1.92 0.00 0.10 -5.12 105.19 102.33 1myn n GLY 27 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1myn n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1myn n ARG 28 N -0.07 2.30 -0.07 1.61 3.00 0.13 -4.99 116.66 118.57 1myn n ARG 28 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.74 1myn n ARG 28 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1myn n ARG 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1myn h SER 29 N 0.00 0.00 -4.64 0.55 0.87 -0.96 -3.41 113.55 105.96 1myn h SER 29 Ca 0.00 -0.51 0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1myn h SER 29 Cb 0.00 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.79 1myn h SER 29 CO 0.00 0.92 0.79 -0.55 -0.53 0.00 0.00 176.83 177.45 1myn s SER 30 N -6.08 -0.13 -0.07 6.23 0.15 -1.22 -4.73 113.70 107.85 1myn s SER 30 Ca -0.15 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 1myn s SER 30 Cb -0.00 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1myn s SER 30 CO 0.42 -0.29 0.42 -0.83 1.20 0.00 0.00 173.24 174.16 1myn s GLY 31 N -2.40 2.41 -0.01 9.45 0.00 -1.21 -0.83 107.32 114.73 1myn s GLY 31 Ca 0.10 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.64 1myn s GLY 31 CO -0.05 0.43 -0.16 0.30 0.00 0.00 0.00 173.10 173.62 1myn s HIS 32 N -0.22 2.63 0.34 1.90 3.76 0.12 -3.66 115.29 120.16 1myn s HIS 32 Ca 0.24 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1myn s HIS 32 Cb -0.16 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 1myn s HIS 32 CO 0.11 0.20 0.56 0.00 -0.85 0.00 0.00 174.74 174.75 1myn s SER 34 N -3.90 3.65 0.48 0.00 0.15 -0.52 -4.93 113.70 108.64 1myn s SER 34 Ca 0.41 -0.52 0.27 0.00 0.70 0.00 0.00 55.95 56.81 1myn s SER 34 Cb -0.10 -0.49 1.33 0.00 -1.71 0.00 0.00 66.02 65.05 1myn s SER 34 CO 0.36 0.23 1.84 -0.65 1.20 0.00 0.00 173.24 176.21 1myn h PRO 35 N 4.33 0.16 -1.64 5.44 0.11 -1.91 -0.70 132.00 137.80 1myn h PRO 35 Ca -0.48 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 1myn h PRO 35 Cb 1.16 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.10 1myn h PRO 35 CO 0.46 0.11 0.36 -1.13 -0.21 0.00 0.00 178.00 177.58 1myn n SER 36 N -4.38 6.36 -4.00 -2.05 3.41 -1.26 -4.83 113.62 106.87 1myn n SER 36 Ca 0.22 -3.02 -0.42 0.00 -0.26 0.00 0.00 58.87 55.39 1myn n SER 36 Cb 0.95 -1.10 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1myn n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1myn n LEU 37 N 0.57 -0.73 -4.20 1.04 7.99 -0.27 -4.88 117.00 116.51 1myn n LEU 37 Ca 0.31 -1.22 -0.12 0.00 -0.01 0.00 0.00 56.01 54.97 1myn n LEU 37 Cb 0.58 -1.67 -0.10 0.00 -0.11 0.00 0.00 43.42 42.11 1myn n LEU 37 CO 0.34 0.71 -0.39 -0.75 -1.51 0.00 0.00 177.39 175.79 1myn s LYS 38 N -6.86 0.94 -0.46 3.23 2.47 -1.20 -1.98 119.74 115.87 1myn s LYS 38 Ca 0.40 -1.39 -0.05 0.00 -1.56 0.00 0.00 55.97 53.37 1myn s LYS 38 Cb -0.21 -0.36 0.12 0.00 -1.46 0.00 0.00 37.83 35.91 1myn s LYS 38 CO 0.95 0.01 0.28 0.00 0.16 0.00 0.00 175.35 176.75 1myn s TRP 40 N 1.03 3.49 -0.09 0.00 0.52 -0.44 -1.19 118.94 122.26 1myn s TRP 40 Ca 0.09 0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.51 1myn s TRP 40 Cb -0.23 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1myn s TRP 40 CO -0.03 0.47 -0.16 0.00 0.02 0.00 0.00 176.95 177.25 1myn s GLU 42 N -0.14 3.91 0.00 0.00 2.12 -0.01 -2.16 118.70 122.43 1myn s GLU 42 Ca -0.02 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1myn s GLU 42 Cb -0.14 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1myn s GLU 42 CO 0.04 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1myn n GLY 43 N 3.65 0.82 0.00 -1.50 0.00 -1.26 -0.36 105.19 106.55 1myn n GLY 43 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32