#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 -3.06 4.12 0.22 0.00 1.43 -1.26 -0.29 118.68 119.85 1myn s LEU 3 Ca 0.26 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 1myn s LEU 3 Cb 0.06 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 1myn s LEU 3 CO 0.04 -0.16 1.36 -0.55 0.23 0.00 0.00 176.35 177.28 1myn s SER 4 N -3.44 6.79 0.40 2.29 0.15 -0.13 -4.67 113.70 115.08 1myn s SER 4 Ca 0.40 2.52 0.21 0.00 0.70 0.00 0.00 55.95 59.78 1myn s SER 4 Cb -0.10 -2.62 0.40 0.00 -1.71 0.00 0.00 66.02 61.99 1myn s SER 4 CO 0.31 -0.60 1.61 1.23 1.20 0.00 0.00 173.24 176.99 1myn h GLY 5 N 5.18 0.00 0.00 9.45 0.00 -1.95 -3.34 103.07 112.40 1myn h GLY 5 Ca -0.45 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.50 1myn h GLY 5 CO 0.77 0.00 -2.44 0.54 0.00 0.00 0.00 176.54 175.41 1myn n ARG 6 N -3.17 0.63 -2.00 4.80 3.00 -1.26 -4.86 116.66 113.80 1myn n ARG 6 Ca 0.03 0.15 -0.33 0.00 -0.01 0.00 0.00 57.85 57.68 1myn n ARG 6 Cb 0.57 -1.51 -0.04 0.00 0.00 0.00 0.00 32.46 31.48 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 -2.51 1.66 -0.74 -1.55 6.14 -1.26 -4.88 117.35 114.22 1myn s TYR 7 Ca -0.34 0.82 0.03 0.00 0.64 0.00 0.00 57.07 58.22 1myn s TYR 7 Cb 0.09 -4.02 0.29 0.00 0.42 0.00 0.00 41.96 38.73 1myn s TYR 7 CO 0.59 -2.08 1.01 1.63 0.64 0.00 0.00 175.55 177.34 1myn n LYS 8 N 9.04 3.27 -3.59 4.97 4.76 -1.26 -4.74 118.16 130.61 1myn n LYS 8 Ca 0.30 -4.70 -0.11 0.00 -2.87 0.00 0.00 58.31 50.94 1myn n LYS 8 Cb 0.50 -2.32 -0.00 0.00 -1.84 0.00 0.00 35.03 31.37 1myn n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1myn n GLY 9 N 0.63 1.69 3.77 0.72 0.00 -1.26 -5.14 105.19 105.59 1myn n GLY 9 Ca 0.31 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.42 4.33 -0.29 1.61 0.04 -1.26 -4.75 135.00 132.26 1myn s PRO 10 Ca 0.20 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1myn s PRO 10 Cb -0.03 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.63 1myn s PRO 10 CO 0.15 -0.10 -0.01 0.00 0.04 0.00 0.00 177.00 177.08 1myn n ALA 12 N 4.65 0.21 0.23 0.00 0.00 -1.26 -4.05 120.51 120.29 1myn n ALA 12 Ca -0.14 -0.79 0.15 0.00 0.00 0.00 0.00 53.44 52.66 1myn n ALA 12 Cb 0.44 0.39 0.60 0.00 0.00 0.00 0.00 19.45 20.87 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 0.86 0.08 -0.63 0.00 -1.51 -1.99 0.22 116.25 113.28 1myn h VAL 13 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1myn h VAL 13 Cb 0.44 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1myn h VAL 13 CO 0.22 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.89 1myn n TRP 14 N -3.02 1.40 0.00 5.19 2.14 -1.26 -4.37 117.44 117.52 1myn n TRP 14 Ca 0.03 -0.61 0.00 0.00 2.07 0.00 0.00 57.50 58.99 1myn n TRP 14 Cb 0.68 -0.22 0.00 0.00 -0.81 0.00 0.00 31.31 30.95 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 1.08 4.71 -0.32 -0.67 8.00 0.75 -4.82 116.55 125.28 1myn n ASP 15 Ca 0.25 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.67 1myn n ASP 15 Cb 0.86 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 42.55 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 -1.70 -0.80 -0.25 -2.24 0.23 -1.18 0.34 115.26 109.66 1myn n ASN 16 Ca 0.00 1.41 0.05 0.00 -0.53 0.00 0.00 54.58 55.51 1myn n ASN 16 Cb 0.27 -0.21 0.18 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.32 -0.65 -3.83 4.81 -1.88 0.46 114.58 113.82 1myn h GLU 17 Ca 0.12 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 1myn h GLU 17 Cb 0.31 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 1myn h GLU 17 CO -0.71 0.21 -0.17 1.15 -0.73 0.00 0.00 179.01 178.77 1myn h THR 18 N 0.33 0.34 -0.83 0.32 2.02 -0.43 0.73 112.91 115.39 1myn h THR 18 Ca 0.41 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.71 1myn h THR 18 Cb 0.68 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 1myn h THR 18 CO -0.47 0.00 0.45 0.00 0.37 0.00 0.00 175.52 175.88 1myn h ARG 20 N 0.72 0.85 0.45 0.00 3.08 0.12 0.18 114.38 119.77 1myn h ARG 20 Ca 0.42 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.40 1myn h ARG 20 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1myn h ARG 20 CO -0.29 0.56 -0.22 0.00 -1.07 0.00 0.00 179.97 178.95 1myn h ARG 21 N 0.87 -0.58 -0.66 0.04 2.47 0.20 -0.77 114.38 115.96 1myn h ARG 21 Ca 0.28 0.04 0.13 0.00 -1.26 0.00 0.00 59.98 59.17 1myn h ARG 21 Cb -0.00 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 28.35 1myn h ARG 21 CO -0.10 -0.39 0.14 0.28 0.56 0.00 0.00 179.97 180.46 1myn h VAL 22 N -1.04 0.58 -0.23 2.04 2.07 -0.84 0.48 116.25 119.30 1myn h VAL 22 Ca -0.06 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1myn h VAL 22 Cb 0.46 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1myn h VAL 22 CO 0.10 0.05 -0.38 0.00 0.02 0.00 0.00 177.57 177.36 1myn h LYS 24 N 0.44 0.00 0.12 0.00 3.64 0.75 -1.13 116.57 120.40 1myn h LYS 24 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1myn h LYS 24 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1myn h LYS 24 CO 0.07 0.23 -0.06 0.93 -2.27 0.00 0.00 179.45 178.35 1myn h GLU 25 N 0.00 -0.15 -0.81 1.90 4.39 0.70 -3.16 114.58 117.45 1myn h GLU 25 Ca -0.00 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.88 1myn h GLU 25 Cb 0.61 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.19 1myn h GLU 25 CO 0.03 0.34 0.34 0.93 -1.16 0.00 0.00 179.01 179.49 1myn h GLU 26 N -0.83 0.44 0.00 2.33 4.39 -0.84 -3.45 114.58 116.61 1myn h GLU 26 Ca -0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1myn h GLU 26 Cb 0.56 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1myn h GLU 26 CO 0.03 0.29 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 1myn n GLY 27 N -1.33 1.24 0.00 -3.84 0.00 -0.61 -5.10 105.19 95.54 1myn n GLY 27 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.06 0.00 0.13 1.61 3.00 -0.53 -5.00 116.66 115.82 1myn n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1myn n ARG 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1myn n ARG 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1myn n SER 29 N 0.00 -0.75 -3.59 0.55 7.64 -0.27 -4.84 113.62 112.36 1myn n SER 29 Ca 0.00 0.47 -0.07 0.00 1.01 0.00 0.00 58.87 60.27 1myn n SER 29 Cb 0.00 0.88 -0.01 0.00 -1.01 0.00 0.00 64.21 64.07 1myn n SER 29 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1myn s SER 30 N -4.26 -0.18 0.11 6.43 1.04 -0.96 -4.18 113.70 111.70 1myn s SER 30 Ca 0.00 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.77 1myn s SER 30 Cb 0.00 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1myn s SER 30 CO 0.00 -1.42 -0.17 -0.83 0.98 0.00 0.00 173.24 171.80 1myn s GLY 31 N -2.97 1.71 0.12 7.32 0.00 -0.94 0.37 107.32 112.93 1myn s GLY 31 Ca 0.12 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 43.61 1myn s GLY 31 CO 0.08 -1.31 -0.25 -2.38 0.00 0.00 0.00 173.10 169.24 1myn s HIS 32 N -1.15 2.12 0.43 1.90 -3.43 0.91 -3.74 115.29 112.33 1myn s HIS 32 Ca 0.18 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.05 1myn s HIS 32 Cb -0.11 -1.15 -0.01 0.00 -1.43 0.00 0.00 32.58 29.88 1myn s HIS 32 CO 0.11 0.29 0.65 0.00 -2.00 0.00 0.00 174.74 173.79 1myn s SER 34 N -4.18 4.38 0.61 0.00 0.15 0.12 -4.88 113.70 109.91 1myn s SER 34 Ca 0.47 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.14 1myn s SER 34 Cb -0.10 -0.92 1.48 0.00 -1.71 0.00 0.00 66.02 64.78 1myn s SER 34 CO 0.38 0.25 1.88 1.55 1.20 0.00 0.00 173.24 178.50 1myn h PRO 35 N 4.32 0.00 -1.34 5.44 0.13 -1.94 0.11 132.00 138.72 1myn h PRO 35 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1myn h PRO 35 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 1myn h PRO 35 CO 0.52 0.00 0.71 0.43 -0.23 0.00 0.00 178.00 179.43 1myn n SER 36 N -3.42 7.21 -4.17 1.44 7.64 -1.26 -4.85 113.62 116.21 1myn n SER 36 Ca 0.05 -3.52 -0.34 0.00 1.01 0.00 0.00 58.87 56.07 1myn n SER 36 Cb 0.59 -1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 1myn n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1myn n LEU 37 N -0.34 -0.64 -4.31 -3.43 7.99 0.02 -4.86 117.00 111.43 1myn n LEU 37 Ca 0.50 -1.21 -0.18 0.00 -0.01 0.00 0.00 56.01 55.11 1myn n LEU 37 Cb 0.58 -1.49 -0.10 0.00 -0.11 0.00 0.00 43.42 42.30 1myn n LEU 37 CO 0.60 0.55 -0.44 -0.75 -1.51 0.00 0.00 177.39 175.84 1myn s LYS 38 N -7.20 1.23 -0.26 3.23 2.47 -1.20 -0.71 119.74 117.29 1myn s LYS 38 Ca 0.15 -1.50 -0.04 0.00 -1.56 0.00 0.00 55.97 53.02 1myn s LYS 38 Cb -0.08 -1.01 0.01 0.00 -1.46 0.00 0.00 37.83 35.29 1myn s LYS 38 CO 0.93 0.17 -0.00 0.00 0.16 0.00 0.00 175.35 176.61 1myn s TRP 40 N 1.42 3.14 0.02 0.00 0.52 -0.39 -0.96 118.94 122.69 1myn s TRP 40 Ca 0.02 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.20 1myn s TRP 40 Cb -0.16 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1myn s TRP 40 CO -0.02 0.52 -0.04 0.00 0.02 0.00 0.00 176.95 177.43 1myn s GLU 42 N -1.64 2.77 0.00 0.00 2.12 0.16 -2.68 118.70 119.43 1myn s GLU 42 Ca 0.19 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1myn s GLU 42 Cb -0.11 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1myn s GLU 42 CO 0.10 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 1myn n GLY 43 N 3.57 -0.26 0.10 -1.50 0.00 -1.26 -1.12 105.19 104.72 1myn n GLY 43 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32