#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psm s ALA 2 N 0.00 -0.83 0.00 0.62 0.00 -1.26 -4.88 121.76 115.41 1psm s ALA 2 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1psm s ALA 2 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1psm s ALA 2 CO 0.00 -0.68 0.06 2.48 0.00 0.00 0.00 175.76 177.62 1psm n TYR 3 N 5.34 0.00 0.00 0.00 4.11 -1.26 -5.11 117.16 120.24 1psm n TYR 3 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 1psm n TYR 3 Cb 0.50 0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1psm n TYR 3 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1psm n LYS 4 N 0.00 0.00 -0.91 -3.48 5.02 -1.26 -5.00 118.16 112.53 1psm n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1psm n LYS 4 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1psm n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1psm n LYS 5 N 1.73 -0.07 -1.67 1.97 3.00 -1.26 -4.92 118.16 116.95 1psm n LYS 5 Ca 0.00 0.02 -0.40 0.00 -0.00 0.00 0.00 58.31 57.93 1psm n LYS 5 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 35.03 32.00 1psm n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1psm n ALA 6 N 1.00 6.91 -2.93 3.14 0.00 -1.26 -4.79 120.51 122.59 1psm n ALA 6 Ca 0.00 -3.82 -0.28 0.00 0.00 0.00 0.00 53.44 49.34 1psm n ALA 6 Cb 0.02 -3.17 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 1psm n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1psm s LYS 7 N 1.07 3.41 -0.22 0.00 -0.14 -1.26 -5.00 119.74 117.60 1psm s LYS 7 Ca 0.60 -0.54 0.12 0.00 -1.36 0.00 0.00 55.97 54.79 1psm s LYS 7 Cb 0.17 -2.98 0.44 0.00 -1.68 0.00 0.00 37.83 33.78 1psm s LYS 7 CO -0.07 0.56 1.20 1.04 -0.76 0.00 0.00 175.35 177.31 1psm n GLN 8 N -0.17 2.10 0.00 1.68 1.13 -1.26 -4.63 117.38 116.23 1psm n GLN 8 Ca -0.06 -3.47 0.10 0.00 -1.94 0.00 0.00 57.00 51.63 1psm n GLN 8 Cb 0.53 -1.66 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 1psm n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1psm n ALA 9 N -0.76 3.84 -2.42 -1.58 0.00 -1.26 -5.00 120.51 113.33 1psm n ALA 9 Ca 0.25 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1psm n ALA 9 Cb 0.84 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1psm n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1psm n SER 10 N -0.50 -4.82 -0.05 0.00 7.64 -1.26 -4.87 113.62 109.76 1psm n SER 10 Ca 0.07 -0.06 0.01 0.00 1.01 0.00 0.00 58.87 59.90 1psm n SER 10 Cb 0.40 -3.88 -0.16 0.00 -1.01 0.00 0.00 64.21 59.56 1psm n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1psm n GLN 11 N -2.69 0.73 -0.13 1.43 10.64 -1.26 -4.12 117.38 121.97 1psm n GLN 11 Ca -0.17 -0.11 -0.25 0.00 -1.83 0.00 0.00 57.00 54.65 1psm n GLN 11 Cb 0.63 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.42 1psm n GLN 11 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1psm n ASP 12 N -2.45 1.92 0.07 2.61 8.00 -1.26 -4.22 116.55 121.22 1psm n ASP 12 Ca -0.16 0.19 0.12 0.00 0.71 0.00 0.00 54.79 55.64 1psm n ASP 12 Cb 0.81 -0.65 0.05 0.00 -0.02 0.00 0.00 41.12 41.31 1psm n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1psm n ALA 13 N -3.89 2.84 -0.02 2.24 0.00 -1.26 -0.23 120.51 120.19 1psm n ALA 13 Ca -0.49 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.57 1psm n ALA 13 Cb 0.89 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 1psm n ALA 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1psm n GLU 14 N -2.34 0.65 0.00 0.00 0.00 -1.26 -4.38 120.64 113.32 1psm n GLU 14 Ca 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 57.16 57.36 1psm n GLU 14 Cb 0.49 -1.77 -0.13 0.00 0.00 0.00 0.00 31.44 30.03 1psm n GLU 14 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1psm h GLN 15 N 0.01 0.01 0.00 5.31 5.75 -1.68 -3.28 115.11 121.22 1psm h GLN 15 Ca -0.32 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1psm h GLN 15 Cb 2.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.59 1psm h GLN 15 CO 0.08 0.65 0.00 0.00 -2.65 0.00 0.00 178.83 176.90 1psm h ALA 16 N 0.98 1.00 0.00 3.38 0.00 -0.81 -1.01 119.26 122.81 1psm h ALA 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1psm h ALA 16 Cb 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1psm h ALA 16 CO 0.09 0.00 -0.84 0.00 0.00 0.00 0.00 179.25 178.51 1psm n ALA 17 N -1.80 3.01 0.54 0.00 0.00 -1.24 -4.27 120.51 116.76 1psm n ALA 17 Ca 0.01 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.27 1psm n ALA 17 Cb 0.19 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 18.66 1psm n ALA 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1psm n LYS 18 N -2.15 0.31 0.00 0.00 4.76 -0.39 -4.65 118.16 116.04 1psm n LYS 18 Ca 0.02 0.06 0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1psm n LYS 18 Cb 0.46 -1.66 0.17 0.00 -1.84 0.00 0.00 35.03 32.15 1psm n LYS 18 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1psm n ASP 19 N -2.09 0.00 -0.01 4.39 2.03 -1.19 -0.20 116.55 119.48 1psm n ASP 19 Ca 0.03 -0.19 -0.20 0.00 0.52 0.00 0.00 54.79 54.95 1psm n ASP 19 Cb 0.44 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.71 1psm n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1psm n ALA 20 N -0.98 0.99 0.34 -1.67 0.00 -1.26 -4.36 120.51 113.56 1psm n ALA 20 Ca 0.04 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 52.94 1psm n ALA 20 Cb 0.02 -0.63 0.16 0.00 0.00 0.00 0.00 19.45 19.00 1psm n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1psm h GLU 21 N 0.06 0.00 0.00 0.00 5.08 -0.93 -3.36 114.58 115.43 1psm h GLU 21 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1psm h GLU 21 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1psm h GLU 21 CO 0.07 0.00 0.00 -0.97 -1.00 0.00 0.00 179.01 177.11 1psm h ASN 22 N 0.00 0.00 0.06 1.42 -0.73 -1.48 -2.90 115.58 111.95 1psm h ASN 22 Ca 0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1psm h ASN 22 Cb 0.90 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1psm h ASN 22 CO 0.00 0.00 -0.03 0.00 -0.37 0.00 0.00 177.43 177.03 1psm h ALA 23 N 2.27 -0.08 -0.38 1.57 0.00 -1.81 -3.30 119.26 117.53 1psm h ALA 23 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1psm h ALA 23 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1psm h ALA 23 CO 0.00 -0.34 0.00 0.45 0.00 0.00 0.00 179.25 179.36 1psm n SER 24 N -4.94 2.27 0.14 0.00 2.88 -1.21 -4.11 113.62 108.65 1psm n SER 24 Ca -0.08 -1.94 0.04 0.00 -1.33 0.00 0.00 58.87 55.56 1psm n SER 24 Cb 0.22 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1psm n SER 24 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1psm h LYS 25 N 2.61 0.00 0.05 -1.46 3.11 -1.59 -3.15 116.57 116.14 1psm h LYS 25 Ca 0.00 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.52 1psm h LYS 25 Cb 0.59 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.78 1psm h LYS 25 CO 0.00 0.35 -1.80 -1.91 -2.81 0.00 0.00 179.45 173.28 1psm n GLU 26 N -3.12 0.68 0.10 1.90 4.07 -1.26 -4.30 120.64 118.71 1psm n GLU 26 Ca 0.01 0.29 -0.05 0.00 -0.06 0.00 0.00 57.16 57.34 1psm n GLU 26 Cb 0.70 -1.77 0.03 0.00 -0.06 0.00 0.00 31.44 30.34 1psm n GLU 26 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1psm h ALA 27 N 0.67 0.64 0.66 4.31 0.00 -1.78 -3.35 119.26 120.42 1psm h ALA 27 Ca -0.33 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 1psm h ALA 27 Cb 2.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1psm h ALA 27 CO 0.09 0.95 -0.38 1.49 0.00 0.00 0.00 179.25 181.39 1psm h GLU 28 N 0.04 -0.93 0.00 0.00 4.81 -1.73 0.30 114.58 117.06 1psm h GLU 28 Ca -0.02 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1psm h GLU 28 Cb 1.42 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1psm h GLU 28 CO 0.11 -0.62 -0.26 0.93 -0.73 0.00 0.00 179.01 178.44 1psm h GLU 29 N -0.97 0.00 0.09 1.92 5.08 -1.81 -2.86 114.58 116.04 1psm h GLU 29 Ca -0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 1psm h GLU 29 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1psm h GLU 29 CO 0.10 0.26 -0.93 0.00 -1.00 0.00 0.00 179.01 177.45 1psm h ALA 30 N 1.74 0.06 -0.56 3.43 0.00 -1.68 -3.26 119.26 118.99 1psm h ALA 30 Ca -0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 54.91 53.75 1psm h ALA 30 Cb 0.49 0.28 -0.17 0.00 0.00 0.00 0.00 17.79 18.40 1psm h ALA 30 CO 0.03 0.50 0.39 0.00 0.00 0.00 0.00 179.25 180.17 1psm n ALA 31 N -2.84 4.39 -1.48 0.00 0.00 0.10 -2.92 120.51 117.76 1psm n ALA 31 Ca -0.19 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.58 1psm n ALA 31 Cb 0.77 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1psm n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1psm n LYS 32 N -0.34 0.00 0.19 0.00 5.02 -1.08 -4.34 118.16 117.60 1psm n LYS 32 Ca 0.34 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.66 1psm n LYS 32 Cb 1.08 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 36.46 1psm n LYS 32 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1psm h GLU 33 N 0.00 0.00 -0.18 1.97 5.08 -1.73 0.41 114.58 120.13 1psm h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1psm h GLU 33 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1psm h GLU 33 CO 0.00 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 1psm n ALA 34 N -2.46 2.51 0.07 3.43 0.00 -1.15 -4.23 120.51 118.68 1psm n ALA 34 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1psm n ALA 34 Cb 0.40 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1psm n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1psm n VAL 35 N 0.53 0.22 -0.11 0.00 0.31 -1.12 -4.95 118.33 113.21 1psm n VAL 35 Ca 0.17 0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 1psm n VAL 35 Cb 0.39 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 32.58 1psm n VAL 35 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1psm n ASN 36 N -3.11 1.31 0.00 4.52 0.23 -0.24 -5.02 115.26 112.95 1psm n ASN 36 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1psm n ASN 36 Cb 0.00 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1psm n ASN 36 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1psm n LEU 37 N -3.00 0.00 0.00 -4.53 7.94 0.13 -4.99 117.00 112.54 1psm n LEU 37 Ca -0.38 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1psm n LEU 37 Cb 1.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.98 1psm n LEU 37 CO 0.31 0.00 0.17 0.29 -1.11 0.00 0.00 177.39 177.05