#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tur n ALA 2 N 0.00 5.47 -3.64 -1.18 0.00 -1.26 -4.89 120.51 115.02 1tur n ALA 2 Ca 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 53.44 49.81 1tur n ALA 2 Cb 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 1tur n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur s ALA 3 N -3.63 -1.98 -0.14 0.00 0.00 -1.26 -5.14 121.76 109.61 1tur s ALA 3 Ca 0.56 2.01 -0.06 0.00 0.00 0.00 0.00 51.96 54.47 1tur s ALA 3 Cb 0.45 -1.43 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1tur s ALA 3 CO 0.02 -0.29 0.31 0.14 0.00 0.00 0.00 175.76 175.94 1tur s VAL 4 N 0.57 -0.30 -0.33 0.00 -7.23 -1.26 -5.10 120.40 106.75 1tur s VAL 4 Ca -0.01 0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1tur s VAL 4 Cb -0.05 -0.50 0.17 0.00 0.56 0.00 0.00 36.38 36.57 1tur s VAL 4 CO -0.07 0.08 0.48 -0.94 -0.31 0.00 0.00 175.10 174.33 1tur s SER 5 N 1.99 -0.20 1.14 4.85 1.04 -1.26 -4.76 113.70 116.50 1tur s SER 5 Ca -0.04 -0.57 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 1tur s SER 5 Cb -0.11 1.34 0.27 0.00 0.10 0.00 0.00 66.02 67.62 1tur s SER 5 CO -0.10 -0.29 1.04 -0.69 0.98 0.00 0.00 173.24 174.18 1tur s VAL 6 N 2.27 2.03 -0.14 5.02 1.01 -1.26 -5.01 120.40 124.32 1tur s VAL 6 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1tur s VAL 6 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1tur s VAL 6 CO -0.20 -0.01 0.02 -0.62 0.00 0.00 0.00 175.10 174.28 1tur s ASP 7 N -2.61 5.30 -0.04 3.32 2.15 -1.26 -4.98 116.67 118.55 1tur s ASP 7 Ca 0.68 0.07 0.05 0.00 0.43 0.00 0.00 52.55 53.78 1tur s ASP 7 Cb -0.24 -1.75 0.08 0.00 -0.30 0.00 0.00 42.92 40.71 1tur s ASP 7 CO 0.64 0.26 0.94 0.00 -0.17 0.00 0.00 175.17 176.83 1tur h SER 9 N 0.00 0.00 -0.73 0.00 0.02 -1.96 -3.32 113.55 107.56 1tur h SER 9 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1tur h SER 9 Cb 0.96 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.22 1tur h SER 9 CO 0.00 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.18 1tur n GLU 10 N -3.42 2.73 -4.11 3.45 4.71 -1.26 -5.00 120.64 117.74 1tur n GLU 10 Ca -0.01 -3.55 -0.14 0.00 -0.01 0.00 0.00 57.16 53.45 1tur n GLU 10 Cb 0.27 -2.14 -0.11 0.00 -1.01 0.00 0.00 31.44 28.44 1tur n GLU 10 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1tur s TYR 11 N -3.55 0.84 0.50 -0.32 1.51 -1.25 -4.58 117.35 110.50 1tur s TYR 11 Ca 0.54 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1tur s TYR 11 Cb 0.44 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.83 1tur s TYR 11 CO 0.02 -0.05 0.72 -1.25 -1.11 0.00 0.00 175.55 173.87 1tur s PRO 12 N -1.96 2.75 0.28 -1.71 0.04 -1.26 -4.99 135.00 128.15 1tur s PRO 12 Ca -0.05 -0.71 0.10 0.00 0.04 0.00 0.00 61.00 60.38 1tur s PRO 12 Cb -0.08 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1tur s PRO 12 CO 0.00 -0.52 -0.05 0.15 0.04 0.00 0.00 177.00 176.62 1tur s LYS 13 N -4.66 2.12 -0.33 4.56 1.02 -1.26 -5.03 119.74 116.17 1tur s LYS 13 Ca 0.54 -1.54 0.10 0.00 0.02 0.00 0.00 55.97 55.09 1tur s LYS 13 Cb -0.10 -2.04 0.70 0.00 -0.52 0.00 0.00 37.83 35.87 1tur s LYS 13 CO 0.38 0.33 1.76 -0.35 -0.92 0.00 0.00 175.35 176.55 1tur n PRO 14 N -0.84 3.30 -3.59 -1.68 -0.04 -1.26 -4.97 135.00 125.92 1tur n PRO 14 Ca -0.06 -3.08 -0.05 0.00 -0.04 0.00 0.00 63.50 60.28 1tur n PRO 14 Cb 0.60 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1tur n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tur s ALA 15 N -3.05 -2.06 0.02 0.55 0.00 -1.26 -5.18 121.76 110.78 1tur s ALA 15 Ca 0.53 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1tur s ALA 15 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1tur s ALA 15 CO 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 175.76 175.29 1tur s THR 17 N -1.14 2.07 -0.20 0.00 -4.23 -1.26 -4.97 115.64 105.91 1tur s THR 17 Ca -0.12 0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 1tur s THR 17 Cb -0.08 -2.06 -0.20 0.00 1.34 0.00 0.00 72.50 71.50 1tur s THR 17 CO -0.01 -0.03 0.09 0.18 -0.54 0.00 0.00 174.62 174.31 1tur n LEU 18 N -4.50 2.39 -4.74 4.79 7.99 -1.26 -4.95 117.00 116.73 1tur n LEU 18 Ca 0.08 0.22 -0.42 0.00 -0.01 0.00 0.00 56.01 55.89 1tur n LEU 18 Cb 0.53 -0.99 -0.02 0.00 -0.11 0.00 0.00 43.42 42.83 1tur n LEU 18 CO 0.52 0.67 1.28 -1.83 -1.51 0.00 0.00 177.39 176.53 1tur s GLU 19 N -2.49 4.14 -0.39 3.23 1.03 -1.26 -4.89 118.70 118.06 1tur s GLU 19 Ca -0.29 2.56 -0.16 0.00 0.03 0.00 0.00 54.97 57.11 1tur s GLU 19 Cb 0.08 -3.06 0.01 0.00 -0.80 0.00 0.00 34.13 30.37 1tur s GLU 19 CO 0.64 -0.67 0.35 -0.47 -1.33 0.00 0.00 175.26 173.79 1tur s TYR 20 N 0.52 3.21 -0.41 4.83 5.04 -1.26 -4.91 117.35 124.37 1tur s TYR 20 Ca 0.68 -0.36 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1tur s TYR 20 Cb -0.48 -2.70 0.14 0.00 0.35 0.00 0.00 41.96 39.27 1tur s TYR 20 CO 0.40 -0.57 0.24 1.03 -1.34 0.00 0.00 175.55 175.31 1tur s ARG 21 N 1.91 0.98 0.91 4.97 0.52 -1.21 -5.06 118.95 121.96 1tur s ARG 21 Ca 0.09 -1.75 -0.13 0.00 -0.52 0.00 0.00 55.73 53.42 1tur s ARG 21 Cb -0.18 -1.88 0.03 0.00 0.52 0.00 0.00 34.95 33.45 1tur s ARG 21 CO 0.12 -1.19 0.49 -2.30 0.02 0.00 0.00 175.30 172.43 1tur n PRO 22 N 3.70 -0.18 -3.66 3.54 -0.01 -0.59 -3.97 135.00 133.82 1tur n PRO 22 Ca 0.11 -0.01 -0.19 0.00 -0.01 0.00 0.00 63.50 63.41 1tur n PRO 22 Cb 0.36 -1.90 -0.17 0.00 -0.01 0.00 0.00 33.50 31.79 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1tur s LEU 23 N -1.33 0.05 -0.04 2.45 1.02 0.00 0.98 118.68 121.82 1tur s LEU 23 Ca 0.59 0.14 -0.20 0.00 0.02 0.00 0.00 54.13 54.68 1tur s LEU 23 Cb -0.24 0.04 -0.05 0.00 0.02 0.00 0.00 46.19 45.97 1tur s LEU 23 CO 0.65 -0.26 0.58 0.00 0.02 0.00 0.00 176.35 177.34 1tur n GLY 25 N 2.75 0.42 0.24 0.00 0.00 -0.96 -2.45 105.19 105.19 1tur n GLY 25 Ca -0.06 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 1tur n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tur h SER 26 N -0.53 0.57 0.00 1.61 0.87 -1.51 -2.21 113.55 112.36 1tur h SER 26 Ca -0.25 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1tur h SER 26 Cb 0.87 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1tur h SER 26 CO 0.25 0.84 0.01 -2.24 -0.53 0.00 0.00 176.83 175.16 1tur h ASP 27 N 0.49 0.00 -2.76 6.23 3.04 -1.95 -3.45 116.42 118.01 1tur h ASP 27 Ca 0.06 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.70 1tur h ASP 27 Cb 0.75 0.00 0.05 0.00 -1.04 0.00 0.00 39.33 39.09 1tur h ASP 27 CO 0.06 0.00 -0.25 0.59 -2.04 0.00 0.00 179.24 177.60 1tur n ASN 28 N -3.07 -3.62 -4.64 4.15 4.13 -0.83 -5.07 115.26 106.31 1tur n ASN 28 Ca -0.03 -0.20 -0.24 0.00 1.68 0.00 0.00 54.58 55.80 1tur n ASN 28 Cb 0.08 -2.20 -0.07 0.00 -1.54 0.00 0.00 39.78 36.05 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1tur s LYS 29 N -5.46 2.29 -0.12 3.52 -0.14 -1.26 -4.96 119.74 113.61 1tur s LYS 29 Ca 0.21 -1.37 -0.06 0.00 -1.36 0.00 0.00 55.97 53.39 1tur s LYS 29 Cb -0.09 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 1tur s LYS 29 CO 0.26 0.38 0.12 0.99 -0.76 0.00 0.00 175.35 176.34 1tur s THR 30 N -2.21 5.30 -0.06 2.17 2.01 -1.26 -2.28 115.64 119.31 1tur s THR 30 Ca 0.30 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1tur s THR 30 Cb -0.07 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1tur s THR 30 CO 0.19 0.61 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.25 1tur s TYR 31 N -0.94 2.62 0.36 4.92 2.02 -0.33 -4.99 117.35 121.00 1tur s TYR 31 Ca 0.14 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 1tur s TYR 31 Cb -0.12 -1.64 0.68 0.00 -0.40 0.00 0.00 41.96 40.48 1tur s TYR 31 CO 0.03 0.02 1.99 0.78 -1.57 0.00 0.00 175.55 176.80 1tur h GLY 32 N 5.70 0.74 0.00 0.71 0.00 -1.88 0.05 103.07 108.38 1tur h GLY 32 Ca -0.40 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1tur h GLY 32 CO 0.50 0.30 0.00 1.16 0.00 0.00 0.00 176.54 178.50 1tur n ASN 33 N -4.41 0.00 0.17 0.19 6.94 -1.25 -1.54 115.26 115.36 1tur n ASN 33 Ca 0.04 -0.52 0.02 0.00 -0.02 0.00 0.00 54.58 54.10 1tur n ASN 33 Cb 0.10 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 37.82 1tur n ASN 33 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1tur h LYS 34 N 0.00 0.00 0.74 -3.83 5.09 -1.92 0.55 116.57 117.21 1tur h LYS 34 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.70 1tur h LYS 34 Cb 0.00 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.34 1tur h LYS 34 CO 0.00 0.46 -0.36 0.00 -2.09 0.00 0.00 179.45 177.46 1tur h ASN 36 N -1.07 0.00 0.54 0.00 2.35 -1.91 0.64 115.58 116.13 1tur h ASN 36 Ca -0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1tur h ASN 36 Cb 0.76 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.14 1tur h ASN 36 CO 0.17 0.25 -0.26 0.15 -1.65 0.00 0.00 177.43 176.09 1tur h PHE 37 N 0.00 -0.67 0.00 1.19 3.57 -0.96 -2.98 116.94 117.10 1tur h PHE 37 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1tur h PHE 37 Cb 1.07 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1tur h PHE 37 CO 0.00 -0.41 -0.21 0.00 -2.23 0.00 0.00 178.31 175.46 1tur h ASN 39 N 0.00 -0.10 0.80 0.00 2.35 -1.00 -0.59 115.58 117.04 1tur h ASN 39 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1tur h ASN 39 Cb 0.85 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1tur h ASN 39 CO 0.03 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1tur n ALA 40 N -2.20 1.72 -0.06 -0.83 0.00 -0.61 -0.78 120.51 117.76 1tur n ALA 40 Ca -0.08 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1tur n ALA 40 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1tur n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tur h VAL 41 N 0.00 0.38 0.00 0.00 2.07 -1.15 -1.84 116.25 115.71 1tur h VAL 41 Ca 0.00 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1tur h VAL 41 Cb 0.40 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1tur h VAL 41 CO 0.00 0.13 -0.03 1.62 0.02 0.00 0.00 177.57 179.31 1tur h VAL 42 N -1.00 0.13 0.00 2.57 3.04 -0.94 0.77 116.25 120.82 1tur h VAL 42 Ca -0.01 -0.32 -0.19 0.00 -1.01 0.00 0.00 66.70 65.17 1tur h VAL 42 Cb 0.30 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.83 1tur h VAL 42 CO -0.01 0.03 -0.89 -0.33 -1.01 0.00 0.00 177.57 175.36 1tur h GLU 43 N 0.00 0.01 0.00 4.17 4.39 -1.08 -3.19 114.58 118.88 1tur h GLU 43 Ca -0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1tur h GLU 43 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1tur h GLU 43 CO 0.00 0.89 -0.04 1.03 -1.16 0.00 0.00 179.01 179.73 1tur h SER 44 N 0.00 0.00 -5.05 1.42 0.87 0.14 -3.46 113.55 107.48 1tur h SER 44 Ca -0.01 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 1tur h SER 44 Cb 1.57 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.68 1tur h SER 44 CO 0.12 0.04 -0.69 0.59 -0.53 0.00 0.00 176.83 176.36 1tur n ASN 45 N -3.89 -4.43 -3.29 6.23 3.02 -0.73 -3.74 115.26 108.43 1tur n ASN 45 Ca -0.03 -0.57 -0.19 0.00 -0.03 0.00 0.00 54.58 53.77 1tur n ASN 45 Cb 0.13 -4.42 0.08 0.00 -0.61 0.00 0.00 39.78 34.96 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tur n GLY 46 N -1.21 -0.37 0.65 7.41 0.00 -1.19 -4.89 105.19 105.59 1tur n GLY 46 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tur n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tur n THR 47 N -4.40 0.00 -2.55 2.61 -2.24 -1.25 -4.99 114.28 101.46 1tur n THR 47 Ca -0.11 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1tur n THR 47 Cb 0.60 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1tur n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tur s LEU 48 N -5.05 4.57 0.20 3.22 2.96 -1.26 -4.98 118.68 118.35 1tur s LEU 48 Ca 0.00 2.17 -0.12 0.00 -0.22 0.00 0.00 54.13 55.96 1tur s LEU 48 Cb 0.00 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1tur s LEU 48 CO 0.00 -0.07 0.40 0.42 -1.32 0.00 0.00 176.35 175.78 1tur s THR 49 N -1.06 0.03 -0.34 3.68 -4.23 -1.26 -4.76 115.64 107.69 1tur s THR 49 Ca 0.44 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.47 1tur s THR 49 Cb -0.30 -1.94 -0.00 0.00 1.34 0.00 0.00 72.50 71.60 1tur s THR 49 CO 0.38 -0.14 0.59 -0.22 -0.54 0.00 0.00 174.62 174.69 1tur s LEU 50 N -2.97 4.27 -0.07 4.79 2.96 -1.26 -1.25 118.68 125.14 1tur s LEU 50 Ca 0.18 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 1tur s LEU 50 Cb 0.01 -2.71 -0.30 0.00 0.50 0.00 0.00 46.19 43.69 1tur s LEU 50 CO 0.03 -0.53 0.78 0.28 -1.32 0.00 0.00 176.35 175.60 1tur h SER 51 N 8.41 0.44 -5.00 3.68 0.02 -1.69 -3.46 113.55 115.96 1tur h SER 51 Ca -0.27 -0.92 0.03 0.00 -0.84 0.00 0.00 61.79 59.79 1tur h SER 51 Cb 1.12 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.42 1tur h SER 51 CO 0.80 1.47 0.24 -1.38 -1.14 0.00 0.00 176.83 176.82 1tur s HIS 52 N -2.44 -0.39 1.43 3.45 0.00 -1.24 -4.81 115.29 111.30 1tur s HIS 52 Ca -0.16 0.08 -0.23 0.00 -3.00 0.00 0.00 55.06 51.75 1tur s HIS 52 Cb 0.02 0.62 0.37 0.00 -4.00 0.00 0.00 32.58 29.59 1tur s HIS 52 CO 0.81 -0.99 0.93 -0.06 -1.00 0.00 0.00 174.74 174.44 1tur s PHE 53 N -3.78 -0.74 0.00 0.38 0.40 -1.26 -2.27 117.98 110.70 1tur s PHE 53 Ca 0.05 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1tur s PHE 53 Cb -0.03 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1tur s PHE 53 CO -0.05 -5.03 0.00 0.41 0.70 0.00 0.00 175.22 171.25 1tur n GLY 54 N 1.31 0.75 3.48 4.36 0.00 0.28 -4.40 105.19 110.95 1tur n GLY 54 Ca 0.13 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1tur n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tur s LYS 55 N 0.00 1.70 0.00 1.61 0.00 -1.26 -1.44 119.74 120.36 1tur s LYS 55 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 55.97 54.37 1tur s LYS 55 Cb 0.00 -1.85 0.17 0.00 0.00 0.00 0.00 37.83 36.15 1tur s LYS 55 CO 0.00 0.36 0.66 0.00 0.00 0.00 0.00 175.35 176.37