#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 -3.16 4.02 0.77 0.00 1.43 -1.26 -0.11 118.68 120.38 1myn s LEU 3 Ca 0.27 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1myn s LEU 3 Cb -0.01 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.89 1myn s LEU 3 CO 0.16 -0.27 1.08 -0.94 0.23 0.00 0.00 176.35 176.62 1myn s SER 4 N -3.78 4.63 -0.04 2.29 1.04 0.55 -4.63 113.70 113.76 1myn s SER 4 Ca 0.41 1.54 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1myn s SER 4 Cb -0.10 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1myn s SER 4 CO 0.35 -1.91 -0.04 0.61 0.98 0.00 0.00 173.24 173.22 1myn n GLY 5 N -1.74 -0.06 0.00 7.32 0.00 -1.26 -4.62 105.19 104.82 1myn n GLY 5 Ca 0.08 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.87 0.39 -3.70 1.61 1.74 -1.26 -4.66 116.66 107.90 1myn n ARG 6 Ca -0.08 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 1myn n ARG 6 Cb 0.57 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1myn n ARG 6 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1myn s TYR 7 N -2.61 3.31 -0.40 -1.55 6.14 -1.26 -5.01 117.35 115.96 1myn s TYR 7 Ca 0.27 0.20 0.08 0.00 0.64 0.00 0.00 57.07 58.26 1myn s TYR 7 Cb 0.20 -2.24 0.26 0.00 0.42 0.00 0.00 41.96 40.60 1myn s TYR 7 CO 0.47 0.09 0.60 1.17 0.64 0.00 0.00 175.55 178.51 1myn n LYS 8 N 4.15 0.75 -2.95 4.97 0.00 -1.26 -4.85 118.16 118.97 1myn n LYS 8 Ca -0.15 -3.03 -0.08 0.00 0.00 0.00 0.00 58.31 55.05 1myn n LYS 8 Cb 0.52 -1.29 -0.02 0.00 0.00 0.00 0.00 35.03 34.24 1myn n LYS 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1myn n GLY 9 N 1.31 2.65 3.80 3.14 0.00 -1.26 -5.14 105.19 109.69 1myn n GLY 9 Ca 0.20 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.48 4.29 -0.18 1.61 0.04 -1.26 -4.75 135.00 132.28 1myn s PRO 10 Ca 0.17 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1myn s PRO 10 Cb -0.00 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1myn s PRO 10 CO 0.12 0.01 -0.14 0.00 0.04 0.00 0.00 177.00 177.04 1myn n ALA 12 N 4.70 0.00 0.26 0.00 0.00 -1.26 -4.11 120.51 120.09 1myn n ALA 12 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1myn n ALA 12 Cb 0.48 0.00 0.65 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 0.69 0.07 -0.41 0.00 -1.51 -2.00 0.24 116.25 113.33 1myn h VAL 13 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1myn h VAL 13 Cb 0.00 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1myn h VAL 13 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.67 1myn n TRP 14 N -3.00 0.53 -0.05 5.19 2.14 -1.26 -4.51 117.44 116.49 1myn n TRP 14 Ca 0.01 -0.31 -0.09 0.00 2.07 0.00 0.00 57.50 59.19 1myn n TRP 14 Cb 0.59 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.05 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 1.30 1.80 0.00 -0.67 8.00 0.80 -4.77 116.55 123.01 1myn n ASP 15 Ca 0.18 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1myn n ASP 15 Cb 0.55 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -3.17 0.00 -0.31 -2.24 0.23 -1.02 0.18 115.26 108.94 1myn n ASN 16 Ca -0.19 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 53.94 1myn n ASN 16 Cb 0.66 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.59 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 0.66 -0.76 -3.83 4.81 -1.89 0.23 114.58 113.80 1myn h GLU 17 Ca 0.00 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1myn h GLU 17 Cb 0.00 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.14 1myn h GLU 17 CO 0.00 0.44 0.33 1.15 -0.73 0.00 0.00 179.01 180.19 1myn h THR 18 N 0.68 0.70 0.06 0.32 2.02 0.16 0.19 112.91 117.04 1myn h THR 18 Ca 0.48 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 1myn h THR 18 Cb 0.65 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1myn h THR 18 CO -0.35 0.09 -0.03 0.00 0.37 0.00 0.00 175.52 175.60 1myn h ARG 20 N -0.26 -0.26 0.19 0.00 3.08 0.10 0.31 114.38 117.55 1myn h ARG 20 Ca -0.01 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1myn h ARG 20 Cb 0.23 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1myn h ARG 20 CO 0.01 -0.18 -0.53 -0.09 -1.07 0.00 0.00 179.97 178.12 1myn h ARG 21 N -0.27 -0.78 -0.22 0.04 9.65 -0.43 0.46 114.38 122.82 1myn h ARG 21 Ca 0.10 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1myn h ARG 21 Cb 0.54 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.24 1myn h ARG 21 CO -0.71 -0.52 -0.10 0.28 2.80 0.00 0.00 179.97 181.73 1myn h VAL 22 N -0.81 0.68 -0.88 0.20 2.07 0.17 0.48 116.25 118.16 1myn h VAL 22 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1myn h VAL 22 Cb 0.79 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1myn h VAL 22 CO -0.25 0.00 0.48 0.00 0.02 0.00 0.00 177.57 177.83 1myn h LYS 24 N 1.23 0.92 0.09 0.00 3.64 0.83 0.04 116.57 123.31 1myn h LYS 24 Ca 0.31 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1myn h LYS 24 Cb 0.03 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 1myn h LYS 24 CO -0.05 0.82 -0.38 1.49 -2.27 0.00 0.00 179.45 179.06 1myn h GLU 25 N 0.84 -0.57 -0.53 1.90 4.22 0.86 0.46 114.58 121.76 1myn h GLU 25 Ca 0.19 0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.78 1myn h GLU 25 Cb 0.28 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.56 1myn h GLU 25 CO -0.01 -0.38 -0.07 1.49 -2.18 0.00 0.00 179.01 177.86 1myn h GLU 26 N -0.59 0.05 0.00 1.92 4.22 -0.56 -3.45 114.58 116.16 1myn h GLU 26 Ca 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1myn h GLU 26 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1myn h GLU 26 CO -0.25 0.03 0.00 0.41 -2.18 0.00 0.00 179.01 177.03 1myn n GLY 27 N -1.35 0.98 0.00 1.92 0.00 0.15 -5.11 105.19 101.77 1myn n GLY 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.50 -0.09 1.61 3.00 -0.18 -4.99 116.66 119.51 1myn n ARG 28 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.69 1myn n ARG 28 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 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 -4.40 0.55 0.87 -0.67 -3.43 113.55 106.46 1myn h SER 29 Ca 0.00 -0.44 0.32 0.00 -1.23 0.00 0.00 61.79 60.44 1myn h SER 29 Cb 0.00 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 1myn h SER 29 CO 0.00 1.18 0.94 -0.44 -0.53 0.00 0.00 176.83 177.98 1myn s SER 30 N -6.41 -0.04 0.05 6.23 0.01 -1.05 -4.77 113.70 107.72 1myn s SER 30 Ca -0.22 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1myn s SER 30 Cb 0.03 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1myn s SER 30 CO 0.48 -0.08 0.03 -0.83 0.41 0.00 0.00 173.24 173.25 1myn s GLY 31 N -2.22 1.94 0.30 3.44 0.00 -1.24 0.87 107.32 110.42 1myn s GLY 31 Ca 0.12 -1.02 0.10 0.00 0.00 0.00 0.00 44.72 43.92 1myn s GLY 31 CO -0.03 -0.95 -0.12 0.30 0.00 0.00 0.00 173.10 172.29 1myn s HIS 32 N -1.25 2.24 0.37 1.90 3.76 0.33 -2.93 115.29 119.71 1myn s HIS 32 Ca 0.24 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1myn s HIS 32 Cb -0.12 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 1myn s HIS 32 CO 0.16 0.56 0.56 0.00 -0.85 0.00 0.00 174.74 175.17 1myn s SER 34 N -4.09 3.32 0.62 0.00 0.15 0.27 -4.85 113.70 109.12 1myn s SER 34 Ca 0.42 -0.68 0.28 0.00 0.70 0.00 0.00 55.95 56.68 1myn s SER 34 Cb -0.10 -0.27 1.48 0.00 -1.71 0.00 0.00 66.02 65.42 1myn s SER 34 CO 0.36 0.21 1.88 -0.65 1.20 0.00 0.00 173.24 176.23 1myn h PRO 35 N 4.18 0.00 -1.32 5.44 0.11 -1.92 -1.02 132.00 137.48 1myn h PRO 35 Ca -0.49 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.10 1myn h PRO 35 Cb 1.16 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1myn h PRO 35 CO 0.41 0.00 0.66 0.43 -0.21 0.00 0.00 178.00 179.29 1myn n SER 36 N -3.41 7.10 -4.29 -2.05 7.64 -1.26 -4.83 113.62 112.52 1myn n SER 36 Ca 0.05 -3.44 -0.31 0.00 1.01 0.00 0.00 58.87 56.17 1myn n SER 36 Cb 0.59 -1.03 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.26 -0.92 -4.19 -3.43 7.99 -0.39 -4.88 117.00 110.92 1myn n LEU 37 Ca 0.47 -1.24 -0.14 0.00 -0.01 0.00 0.00 56.01 55.09 1myn n LEU 37 Cb 0.60 -1.55 -0.11 0.00 -0.11 0.00 0.00 43.42 42.26 1myn n LEU 37 CO 0.58 0.42 -0.41 -0.75 -1.51 0.00 0.00 177.39 175.72 1myn s LYS 38 N -7.25 0.89 -0.26 3.23 2.47 -1.20 -0.59 119.74 117.04 1myn s LYS 38 Ca 0.09 -1.24 -0.09 0.00 -1.56 0.00 0.00 55.97 53.17 1myn s LYS 38 Cb -0.05 -0.53 -0.04 0.00 -1.46 0.00 0.00 37.83 35.75 1myn s LYS 38 CO 0.98 0.07 0.12 0.00 0.16 0.00 0.00 175.35 176.67 1myn s TRP 40 N 1.61 3.14 -0.07 0.00 0.52 0.54 -0.33 118.94 124.34 1myn s TRP 40 Ca 0.06 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1myn s TRP 40 Cb -0.15 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 1myn s TRP 40 CO 0.06 0.41 -0.21 0.00 0.02 0.00 0.00 176.95 177.23 1myn s GLU 42 N -0.15 3.40 0.00 0.00 2.12 0.25 -1.79 118.70 122.54 1myn s GLU 42 Ca -0.03 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1myn s GLU 42 Cb -0.14 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1myn s GLU 42 CO 0.04 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1myn n GLY 43 N 4.43 0.78 0.00 -1.50 0.00 -1.26 0.03 105.19 107.67 1myn n GLY 43 Ca -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1myn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32