#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 -3.38 4.07 0.56 0.00 1.43 -1.26 0.08 118.68 120.18 1myn s LEU 3 Ca 0.36 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 1myn s LEU 3 Cb 0.04 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1myn s LEU 3 CO 0.20 -0.26 1.27 -0.55 0.23 0.00 0.00 176.35 177.23 1myn s SER 4 N -4.03 5.28 0.00 2.29 0.15 0.53 -4.58 113.70 113.34 1myn s SER 4 Ca 0.39 2.54 0.13 0.00 0.70 0.00 0.00 55.95 59.70 1myn s SER 4 Cb -0.09 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1myn s SER 4 CO 0.34 -1.54 0.83 0.61 1.20 0.00 0.00 173.24 174.68 1myn n GLY 5 N 0.63 -0.15 0.02 9.45 0.00 -1.26 -4.49 105.19 109.39 1myn n GLY 5 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1myn n GLY 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1myn n ARG 6 N 0.36 1.55 -2.23 1.61 0.63 -1.26 -4.98 116.66 112.33 1myn n ARG 6 Ca 0.07 0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 1myn n ARG 6 Cb 0.29 -1.08 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1myn s TYR 7 N -2.07 3.02 -0.27 -0.14 6.14 -1.26 -4.99 117.35 117.77 1myn s TYR 7 Ca -0.04 0.91 0.00 0.00 0.64 0.00 0.00 57.07 58.59 1myn s TYR 7 Cb 0.01 -3.64 0.08 0.00 0.42 0.00 0.00 41.96 38.84 1myn s TYR 7 CO 0.10 -2.29 0.03 -1.59 0.64 0.00 0.00 175.55 172.45 1myn s LYS 8 N 1.92 1.14 0.00 4.97 -2.85 -1.26 -4.83 119.74 118.84 1myn s LYS 8 Ca 0.63 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1myn s LYS 8 Cb -0.32 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 1myn s LYS 8 CO 0.28 -0.80 0.00 0.41 0.10 0.00 0.00 175.35 175.33 1myn n GLY 9 N 4.71 0.79 3.82 0.59 0.00 -1.26 -5.10 105.19 108.74 1myn n GLY 9 Ca -0.05 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.19 3.73 -0.63 1.61 0.04 -1.26 -4.72 135.00 132.57 1myn s PRO 10 Ca 0.00 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1myn s PRO 10 Cb 0.00 -2.10 0.16 0.00 0.04 0.00 0.00 34.50 32.60 1myn s PRO 10 CO 0.00 -0.47 0.44 0.00 0.04 0.00 0.00 177.00 177.01 1myn n ALA 12 N 3.22 -0.61 0.31 0.00 0.00 -1.26 -3.97 120.51 118.21 1myn n ALA 12 Ca 0.09 -1.47 0.14 0.00 0.00 0.00 0.00 53.44 52.19 1myn n ALA 12 Cb 0.36 0.08 0.69 0.00 0.00 0.00 0.00 19.45 20.58 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 -1.15 0.03 -0.46 0.00 -1.51 -1.97 0.18 116.25 111.36 1myn h VAL 13 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1myn h VAL 13 Cb 0.96 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1myn h VAL 13 CO 0.26 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.93 1myn n TRP 14 N -2.89 0.72 -0.07 5.19 2.14 -1.26 -4.54 117.44 116.73 1myn n TRP 14 Ca -0.01 -0.54 -0.11 0.00 2.07 0.00 0.00 57.50 58.91 1myn n TRP 14 Cb 0.50 -0.06 -0.06 0.00 -0.81 0.00 0.00 31.31 30.88 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 0.77 2.37 -0.03 -0.67 8.00 0.62 -4.75 116.55 122.86 1myn n ASP 15 Ca 0.17 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.67 1myn n ASP 15 Cb 0.55 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1myn n ASP 15 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1myn n ASN 16 N -3.12 -0.07 -0.14 -2.24 0.23 -1.17 0.22 115.26 108.97 1myn n ASN 16 Ca -0.25 0.14 -0.04 0.00 -0.53 0.00 0.00 54.58 53.90 1myn n ASN 16 Cb 0.74 -0.03 0.03 0.00 -2.08 0.00 0.00 39.78 38.44 1myn n ASN 16 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1myn h GLU 17 N 0.00 0.01 -0.86 -3.83 4.22 -1.90 0.14 114.58 112.36 1myn h GLU 17 Ca 0.02 -0.00 0.22 0.00 0.08 0.00 0.00 59.36 59.68 1myn h GLU 17 Cb 0.04 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.15 1myn h GLU 17 CO -0.08 0.01 0.25 1.15 -2.18 0.00 0.00 179.01 178.17 1myn h THR 18 N 0.01 0.37 -0.05 0.32 2.02 0.24 0.79 112.91 116.61 1myn h THR 18 Ca 0.22 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1myn h THR 18 Cb 0.34 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1myn h THR 18 CO -0.46 0.05 0.02 0.00 0.37 0.00 0.00 175.52 175.50 1myn h ARG 20 N -0.06 -0.08 0.24 0.00 2.43 0.12 0.40 114.38 117.43 1myn h ARG 20 Ca 0.02 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1myn h ARG 20 Cb 0.15 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1myn h ARG 20 CO -0.00 -0.06 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.20 1myn h ARG 21 N -0.09 -0.31 0.05 0.20 2.43 -0.78 0.13 114.38 116.01 1myn h ARG 21 Ca 0.28 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1myn h ARG 21 Cb 0.57 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1myn h ARG 21 CO -0.83 -0.20 -0.02 0.28 -1.51 0.00 0.00 179.97 177.69 1myn h VAL 22 N -0.34 0.99 -0.09 0.20 2.07 0.15 0.34 116.25 119.57 1myn h VAL 22 Ca -0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1myn h VAL 22 Cb 0.26 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1myn h VAL 22 CO 0.05 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 177.65 1myn h LYS 24 N 0.13 0.46 -0.46 0.00 3.64 -0.16 0.15 116.57 120.33 1myn h LYS 24 Ca 0.03 -0.45 0.05 0.00 -1.27 0.00 0.00 60.65 59.02 1myn h LYS 24 Cb 0.13 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1myn h LYS 24 CO 0.00 1.09 0.20 1.05 -2.27 0.00 0.00 179.45 179.52 1myn h GLU 25 N -0.00 0.38 0.00 1.90 4.11 0.70 0.21 114.58 121.88 1myn h GLU 25 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1myn h GLU 25 Cb 1.26 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1myn h GLU 25 CO 0.12 0.25 -0.01 1.49 0.07 0.00 0.00 179.01 180.93 1myn h GLU 26 N 0.39 0.00 0.00 1.06 4.22 -0.90 -3.46 114.58 115.90 1myn h GLU 26 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1myn h GLU 26 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1myn h GLU 26 CO -0.18 0.01 0.00 0.41 -2.18 0.00 0.00 179.01 177.07 1myn n GLY 27 N -1.39 1.80 0.00 1.92 0.00 0.72 -5.10 105.19 103.14 1myn n GLY 27 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.80 1.15 0.01 1.61 3.00 0.48 -5.01 116.66 117.11 1myn n ARG 28 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.71 1myn n ARG 28 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.36 1myn n ARG 28 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1myn h SER 29 N 0.00 -0.06 0.00 0.55 0.02 -0.32 -3.41 113.55 110.33 1myn h SER 29 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1myn h SER 29 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1myn h SER 29 CO 0.00 0.46 0.00 -1.20 -1.14 0.00 0.00 176.83 174.95 1myn n SER 30 N -4.87 0.00 -4.89 3.07 7.64 -1.19 -4.80 113.62 108.57 1myn n SER 30 Ca -0.09 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.45 1myn n SER 30 Cb 0.27 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1myn n SER 30 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1myn s GLY 31 N 0.00 2.19 -0.19 0.23 0.00 -1.25 0.31 107.32 108.61 1myn s GLY 31 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 44.72 44.01 1myn s GLY 31 CO 0.00 -0.54 -0.04 0.30 0.00 0.00 0.00 173.10 172.82 1myn s HIS 32 N -1.24 1.83 0.95 1.90 3.76 0.30 -3.97 115.29 118.81 1myn s HIS 32 Ca 0.24 -1.26 -0.12 0.00 -0.15 0.00 0.00 55.06 53.78 1myn s HIS 32 Cb -0.13 -1.36 0.16 0.00 1.11 0.00 0.00 32.58 32.36 1myn s HIS 32 CO 0.15 -0.66 1.09 0.00 -0.85 0.00 0.00 174.74 174.46 1myn s SER 34 N -3.31 4.33 0.48 0.00 0.15 -0.69 -4.91 113.70 109.75 1myn s SER 34 Ca 0.64 -0.33 0.37 0.00 0.70 0.00 0.00 55.95 57.34 1myn s SER 34 Cb -0.19 -0.86 1.54 0.00 -1.71 0.00 0.00 66.02 64.80 1myn s SER 34 CO 0.58 0.23 1.62 -0.65 1.20 0.00 0.00 173.24 176.22 1myn h PRO 35 N 4.08 0.05 -2.23 5.44 0.11 -1.94 -0.43 132.00 137.07 1myn h PRO 35 Ca -0.48 -0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.84 1myn h PRO 35 Cb 1.16 -0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.02 1myn h PRO 35 CO 0.52 0.03 1.18 -1.13 -0.21 0.00 0.00 178.00 178.39 1myn n SER 36 N -4.42 7.45 -2.26 -2.05 3.41 -1.26 -4.88 113.62 109.61 1myn n SER 36 Ca 0.39 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1myn n SER 36 Cb 1.60 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1myn n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1myn n LEU 37 N 0.09 0.00 -4.35 1.04 -0.00 -0.17 -4.89 117.00 108.71 1myn n LEU 37 Ca 0.50 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.30 1myn n LEU 37 Cb 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.58 1myn n LEU 37 CO 0.53 0.00 -0.47 -0.75 -0.00 0.00 0.00 177.39 176.70 1myn s LYS 38 N -2.63 1.34 -0.48 1.47 2.47 -1.24 -0.04 119.74 120.64 1myn s LYS 38 Ca 0.00 -1.50 -0.12 0.00 -1.56 0.00 0.00 55.97 52.79 1myn s LYS 38 Cb 0.00 -1.35 0.10 0.00 -1.46 0.00 0.00 37.83 35.12 1myn s LYS 38 CO 0.00 0.26 0.37 0.00 0.16 0.00 0.00 175.35 176.14 1myn s TRP 40 N 1.49 3.31 -0.08 0.00 0.52 -1.19 -0.35 118.94 122.65 1myn s TRP 40 Ca 0.04 0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.33 1myn s TRP 40 Cb -0.26 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1myn s TRP 40 CO 0.02 0.54 -0.19 0.00 0.02 0.00 0.00 176.95 177.35 1myn s GLU 42 N -0.11 3.86 0.00 0.00 -6.30 0.15 -1.16 118.70 115.13 1myn s GLU 42 Ca -0.03 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 52.03 1myn s GLU 42 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 34.13 30.82 1myn s GLU 42 CO 0.04 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1myn n GLY 43 N 3.75 0.63 0.00 -1.50 0.00 -1.26 0.37 105.19 107.18 1myn n GLY 43 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32