#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 3.59 -1.23 -1.18 0.00 -1.26 -5.07 120.51 115.36 1tur n ALA 2 Ca 0.00 -4.41 0.14 0.00 0.00 0.00 0.00 53.44 49.16 1tur n ALA 2 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1tur n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur n ALA 3 N 1.39 -2.58 -3.73 0.00 0.00 -1.26 -4.75 120.51 109.58 1tur n ALA 3 Ca 0.26 0.31 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 1tur n ALA 3 Cb 0.41 -0.89 -0.17 0.00 0.00 0.00 0.00 19.45 18.80 1tur n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tur s VAL 4 N -1.60 1.77 -0.30 0.00 0.11 -1.26 -5.09 120.40 114.03 1tur s VAL 4 Ca 0.00 -0.80 -0.16 0.00 -2.93 0.00 0.00 61.98 58.09 1tur s VAL 4 Cb 0.00 -1.60 0.18 0.00 -1.53 0.00 0.00 36.38 33.43 1tur s VAL 4 CO 0.00 0.49 1.13 -0.94 -3.33 0.00 0.00 175.10 172.46 1tur s SER 5 N 0.99 -0.29 0.18 3.54 1.04 -1.26 -4.20 113.70 113.70 1tur s SER 5 Ca -0.05 0.44 -0.15 0.00 0.48 0.00 0.00 55.95 56.67 1tur s SER 5 Cb -0.15 1.21 -0.07 0.00 0.10 0.00 0.00 66.02 67.11 1tur s SER 5 CO -0.03 -0.07 0.59 0.54 0.98 0.00 0.00 173.24 175.25 1tur s VAL 6 N 1.59 4.81 0.26 5.02 0.11 -1.26 -5.02 120.40 125.90 1tur s VAL 6 Ca -0.06 0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 59.56 1tur s VAL 6 Cb -0.03 -3.73 -0.09 0.00 -1.53 0.00 0.00 36.38 30.99 1tur s VAL 6 CO -0.14 0.17 1.00 -0.62 -3.33 0.00 0.00 175.10 172.18 1tur s ASP 7 N -1.83 7.49 -0.01 3.54 2.15 -1.26 -4.95 116.67 121.81 1tur s ASP 7 Ca 0.41 2.08 0.04 0.00 0.43 0.00 0.00 52.55 55.51 1tur s ASP 7 Cb -0.14 -2.62 0.07 0.00 -0.30 0.00 0.00 42.92 39.93 1tur s ASP 7 CO 0.20 0.04 1.03 0.00 -0.17 0.00 0.00 175.17 176.26 1tur h SER 9 N 0.13 0.00 -1.70 0.00 0.87 -1.96 -3.34 113.55 107.56 1tur h SER 9 Ca -0.03 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 1tur h SER 9 Cb 1.44 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.98 1tur h SER 9 CO 0.01 0.09 -0.88 -1.84 -0.53 0.00 0.00 176.83 173.68 1tur n GLU 10 N -3.50 2.53 -4.29 2.24 0.00 -1.26 -5.05 120.64 111.31 1tur n GLU 10 Ca -0.02 -4.17 -0.23 0.00 0.00 0.00 0.00 57.16 52.74 1tur n GLU 10 Cb 0.22 -1.95 -0.12 0.00 0.00 0.00 0.00 31.44 29.59 1tur n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1tur s TYR 11 N -3.26 1.76 0.39 -1.84 1.51 -1.25 -4.69 117.35 109.96 1tur s TYR 11 Ca 0.43 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1tur s TYR 11 Cb 0.37 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 1tur s TYR 11 CO -0.11 0.22 0.37 -1.25 -1.11 0.00 0.00 175.55 173.68 1tur s PRO 12 N -2.11 2.64 0.44 -1.71 0.04 -1.26 -4.94 135.00 128.09 1tur s PRO 12 Ca 0.08 -1.42 0.08 0.00 0.04 0.00 0.00 61.00 59.78 1tur s PRO 12 Cb -0.09 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1tur s PRO 12 CO 0.05 -0.10 0.47 0.15 0.04 0.00 0.00 177.00 177.60 1tur s LYS 13 N -4.11 2.57 -0.01 4.56 -0.14 -1.26 -5.04 119.74 116.30 1tur s LYS 13 Ca 0.47 -1.50 0.16 0.00 -1.36 0.00 0.00 55.97 53.73 1tur s LYS 13 Cb -0.05 -2.48 -0.19 0.00 -1.68 0.00 0.00 37.83 33.43 1tur s LYS 13 CO 0.28 -0.31 0.64 -0.35 -0.76 0.00 0.00 175.35 174.85 1tur n PRO 14 N -1.71 0.64 -4.05 -1.68 -0.05 -1.26 -5.04 135.00 121.86 1tur n PRO 14 Ca 0.05 0.18 -0.09 0.00 -0.05 0.00 0.00 63.50 63.59 1tur n PRO 14 Cb 0.61 -1.74 -0.09 0.00 -0.05 0.00 0.00 33.50 32.23 1tur n PRO 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1tur s ALA 15 N -2.80 0.41 0.02 0.55 0.00 -1.26 -5.18 121.76 113.50 1tur s ALA 15 Ca -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1tur s ALA 15 Cb 0.08 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1tur s ALA 15 CO 0.82 -0.52 0.01 0.00 0.00 0.00 0.00 175.76 176.07 1tur s THR 17 N -1.58 3.46 -0.08 0.00 -4.23 -1.26 -4.94 115.64 107.01 1tur s THR 17 Ca -0.14 1.22 0.14 0.00 -1.18 0.00 0.00 61.69 61.73 1tur s THR 17 Cb -0.08 -3.78 -0.22 0.00 1.34 0.00 0.00 72.50 69.75 1tur s THR 17 CO -0.01 0.19 0.58 0.00 -0.54 0.00 0.00 174.62 174.84 1tur n LEU 18 N 2.53 0.70 -4.75 4.79 -0.00 -1.26 -4.88 117.00 114.13 1tur n LEU 18 Ca 0.05 0.33 -0.41 0.00 -0.00 0.00 0.00 56.01 55.97 1tur n LEU 18 Cb 0.44 0.21 -0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1tur n LEU 18 CO 0.56 0.37 1.22 -1.83 -0.00 0.00 0.00 177.39 177.71 1tur s GLU 19 N -2.64 4.15 -0.33 1.47 1.03 -1.26 -4.91 118.70 116.21 1tur s GLU 19 Ca -0.05 2.53 -0.21 0.00 0.03 0.00 0.00 54.97 57.26 1tur s GLU 19 Cb 0.08 -3.04 -0.00 0.00 -0.80 0.00 0.00 34.13 30.37 1tur s GLU 19 CO 0.83 -0.59 0.69 -0.47 -1.33 0.00 0.00 175.26 174.38 1tur s TYR 20 N -0.02 3.17 -0.41 4.83 5.04 -1.26 -4.82 117.35 123.89 1tur s TYR 20 Ca 0.62 0.54 0.04 0.00 -2.44 0.00 0.00 57.07 55.83 1tur s TYR 20 Cb -0.47 -3.15 0.17 0.00 0.35 0.00 0.00 41.96 38.86 1tur s TYR 20 CO 0.47 -0.58 0.33 1.03 -1.34 0.00 0.00 175.55 175.46 1tur s ARG 21 N 2.79 0.88 0.97 4.97 0.52 -1.15 -5.09 118.95 122.84 1tur s ARG 21 Ca 0.27 -2.06 -0.12 0.00 -0.52 0.00 0.00 55.73 53.30 1tur s ARG 21 Cb -0.14 -1.40 0.10 0.00 0.52 0.00 0.00 34.95 34.02 1tur s ARG 21 CO 0.14 -1.38 0.65 -0.35 0.02 0.00 0.00 175.30 174.38 1tur n PRO 22 N 2.92 -0.60 -3.81 3.54 -0.04 -1.23 -4.35 135.00 131.44 1tur n PRO 22 Ca 0.29 -0.13 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 1tur n PRO 22 Cb 0.47 -2.03 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tur s LEU 23 N -3.31 1.24 0.44 1.53 1.02 -0.71 0.76 118.68 119.66 1tur s LEU 23 Ca 0.61 -0.60 -0.23 0.00 0.02 0.00 0.00 54.13 53.93 1tur s LEU 23 Cb -0.21 -0.69 -0.08 0.00 0.02 0.00 0.00 46.19 45.22 1tur s LEU 23 CO 0.64 -0.23 1.08 0.00 0.02 0.00 0.00 176.35 177.86 1tur s GLY 25 N -1.59 1.61 0.31 0.00 0.00 0.09 -3.30 107.32 104.44 1tur s GLY 25 Ca 0.62 -1.50 0.24 0.00 0.00 0.00 0.00 44.72 44.07 1tur s GLY 25 CO 0.28 -1.43 1.49 0.23 0.00 0.00 0.00 173.10 173.67 1tur h SER 26 N 1.06 0.00 0.50 1.64 0.87 0.05 -3.05 113.55 114.62 1tur h SER 26 Ca -0.46 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 1tur h SER 26 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1tur h SER 26 CO 0.56 0.01 -0.24 -2.24 -0.53 0.00 0.00 176.83 174.39 1tur h ASP 27 N 0.00 -0.57 0.00 6.23 3.04 -1.84 -3.46 116.42 119.82 1tur h ASP 27 Ca 0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1tur h ASP 27 Cb 0.92 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 1tur h ASP 27 CO 0.00 -0.17 0.00 -0.46 -2.04 0.00 0.00 179.24 176.57 1tur n ASN 28 N -5.12 -0.44 -3.92 4.15 0.23 -1.15 -5.17 115.26 103.84 1tur n ASN 28 Ca -0.08 0.30 -0.29 0.00 -0.53 0.00 0.00 54.58 53.98 1tur n ASN 28 Cb 0.27 0.66 0.28 0.00 -2.08 0.00 0.00 39.78 38.90 1tur n ASN 28 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1tur n LYS 29 N -2.61 -3.59 -4.39 -3.83 4.76 -1.26 -4.40 118.16 102.83 1tur n LYS 29 Ca 0.00 -1.04 -0.27 0.00 -2.87 0.00 0.00 58.31 54.12 1tur n LYS 29 Cb 0.00 -2.03 -0.08 0.00 -1.84 0.00 0.00 35.03 31.08 1tur n LYS 29 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1tur s THR 30 N -2.26 2.00 -0.04 -0.18 2.01 -1.26 -0.73 115.64 115.18 1tur s THR 30 Ca 0.67 -1.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 1tur s THR 30 Cb -0.19 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.51 1tur s THR 30 CO 0.61 0.00 0.39 -0.31 -0.69 0.00 0.00 174.62 174.62 1tur s TYR 31 N -2.69 -0.31 0.08 4.92 2.02 -0.54 -4.92 117.35 115.91 1tur s TYR 31 Ca 0.34 0.55 -0.23 0.00 -0.37 0.00 0.00 57.07 57.36 1tur s TYR 31 Cb 0.06 0.16 -0.15 0.00 -0.40 0.00 0.00 41.96 41.63 1tur s TYR 31 CO 0.18 -0.40 1.71 0.78 -1.57 0.00 0.00 175.55 176.25 1tur h GLY 32 N 3.99 0.02 0.00 0.71 0.00 -1.88 -1.88 103.07 104.03 1tur h GLY 32 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1tur h GLY 32 CO 0.37 0.01 0.00 1.16 0.00 0.00 0.00 176.54 178.08 1tur n ASN 33 N -5.06 0.00 0.10 0.19 0.23 -1.26 -2.92 115.26 106.54 1tur n ASN 33 Ca -0.07 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.09 1tur n ASN 33 Cb 0.05 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.20 1tur n ASN 33 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1tur n LYS 34 N 0.00 0.15 -0.02 -3.83 2.85 -1.26 -0.12 118.16 115.93 1tur n LYS 34 Ca 0.00 0.41 -0.00 0.00 -1.05 0.00 0.00 58.31 57.66 1tur n LYS 34 Cb 0.00 -1.80 -0.00 0.00 -0.65 0.00 0.00 35.03 32.58 1tur n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1tur h ASN 36 N -0.47 0.00 0.90 0.00 2.35 -1.93 0.03 115.58 116.46 1tur h ASN 36 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1tur h ASN 36 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1tur h ASN 36 CO 0.00 0.07 -0.43 0.15 -1.65 0.00 0.00 177.43 175.57 1tur h PHE 37 N 0.00 -1.12 0.00 1.19 3.57 -0.63 -3.03 116.94 116.92 1tur h PHE 37 Ca -0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1tur h PHE 37 Cb 0.53 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1tur h PHE 37 CO 0.00 -0.70 -0.34 0.00 -2.23 0.00 0.00 178.31 175.04 1tur h ASN 39 N 0.00 0.57 1.07 0.00 2.35 -1.07 0.74 115.58 119.24 1tur h ASN 39 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1tur h ASN 39 Cb 1.03 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1tur h ASN 39 CO 0.04 0.50 -0.83 0.00 -1.65 0.00 0.00 177.43 175.50 1tur h ALA 40 N 1.59 0.56 0.46 -0.83 0.00 -1.00 -0.68 119.26 119.37 1tur h ALA 40 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1tur h ALA 40 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tur h ALA 40 CO -0.02 0.00 -0.22 0.28 0.00 0.00 0.00 179.25 179.29 1tur h VAL 41 N 0.00 0.00 0.00 0.00 2.07 -0.43 -1.00 116.25 116.89 1tur h VAL 41 Ca 0.00 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1tur h VAL 41 Cb 0.95 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1tur h VAL 41 CO 0.00 0.00 -0.04 1.62 0.02 0.00 0.00 177.57 179.17 1tur h VAL 42 N -1.06 0.61 0.02 2.57 3.04 -0.92 -1.12 116.25 119.39 1tur h VAL 42 Ca -0.06 -0.15 -0.21 0.00 -1.01 0.00 0.00 66.70 65.27 1tur h VAL 42 Cb 0.48 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1tur h VAL 42 CO 0.10 0.03 -0.93 -0.08 -1.01 0.00 0.00 177.57 175.68 1tur h GLU 43 N 0.00 0.25 -0.59 4.17 4.81 -1.14 -3.32 114.58 118.75 1tur h GLU 43 Ca -0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1tur h GLU 43 Cb 0.09 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1tur h GLU 43 CO 0.00 1.02 0.00 -1.13 -0.73 0.00 0.00 179.01 178.17 1tur n SER 44 N -3.66 3.39 -3.31 1.04 3.41 -0.38 -4.93 113.62 109.18 1tur n SER 44 Ca -0.05 -2.25 -0.19 0.00 -0.26 0.00 0.00 58.87 56.13 1tur n SER 44 Cb 0.84 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1tur n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tur n ASN 45 N 0.82 -4.10 -3.24 4.04 5.15 -1.07 -2.94 115.26 113.92 1tur n ASN 45 Ca 0.18 -0.54 -0.18 0.00 -0.60 0.00 0.00 54.58 53.45 1tur n ASN 45 Cb 0.62 -4.74 0.08 0.00 -0.53 0.00 0.00 39.78 35.21 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tur n GLY 46 N -1.52 -0.33 0.00 8.20 0.00 -1.15 -4.89 105.19 105.50 1tur n GLY 46 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1tur n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tur n THR 47 N -4.22 0.00 0.00 2.61 5.66 -1.15 -4.88 114.28 112.30 1tur n THR 47 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1tur n THR 47 Cb 0.61 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1tur n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1tur n LEU 48 N -1.62 0.17 -1.20 1.09 7.94 -1.26 -4.72 117.00 117.39 1tur n LEU 48 Ca 0.00 0.65 0.16 0.00 -1.11 0.00 0.00 56.01 55.71 1tur n LEU 48 Cb 0.32 -0.20 -0.04 0.00 0.53 0.00 0.00 43.42 44.03 1tur n LEU 48 CO 0.00 -0.20 -0.23 0.35 -1.11 0.00 0.00 177.39 176.20 1tur n THR 49 N -1.10 0.00 -3.76 1.96 -2.24 -1.26 -1.56 114.28 106.32 1tur n THR 49 Ca 0.00 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1tur n THR 49 Cb 0.00 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.67 1tur n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tur s LEU 50 N -6.08 3.66 -0.09 3.22 2.96 -1.26 -0.87 118.68 120.22 1tur s LEU 50 Ca 0.00 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.13 1tur s LEU 50 Cb 0.00 -1.89 -0.21 0.00 0.50 0.00 0.00 46.19 44.59 1tur s LEU 50 CO 0.00 -0.13 0.88 0.28 -1.32 0.00 0.00 176.35 176.06 1tur h SER 51 N 8.23 -0.03 -5.02 3.68 0.02 -1.68 -3.44 113.55 115.31 1tur h SER 51 Ca -0.34 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 59.92 1tur h SER 51 Cb 1.14 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 1tur h SER 51 CO 0.60 0.73 0.17 -1.38 -1.14 0.00 0.00 176.83 175.81 1tur s HIS 52 N -2.93 -0.31 1.08 3.45 0.00 -1.26 -4.93 115.29 110.40 1tur s HIS 52 Ca -0.16 -0.03 -0.18 0.00 -3.00 0.00 0.00 55.06 51.69 1tur s HIS 52 Cb -0.01 0.56 0.28 0.00 -4.00 0.00 0.00 32.58 29.41 1tur s HIS 52 CO 0.61 -1.00 0.69 1.19 -1.00 0.00 0.00 174.74 175.23 1tur n PHE 53 N -0.40 -3.43 -2.68 0.38 3.01 -1.26 -2.13 117.46 110.94 1tur n PHE 53 Ca -0.11 -0.65 0.09 0.00 1.01 0.00 0.00 57.45 57.80 1tur n PHE 53 Cb 0.62 -0.93 -0.02 0.00 -0.01 0.00 0.00 39.48 39.14 1tur n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tur n GLY 54 N -4.13 -1.63 3.92 1.37 0.00 0.23 -4.38 105.19 100.58 1tur n GLY 54 Ca 0.11 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.17 3.33 0.00 1.61 -2.85 -1.24 -1.34 119.74 118.08 1tur s LYS 55 Ca 0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 1tur s LYS 55 Cb 0.00 -2.44 0.12 0.00 -2.06 0.00 0.00 37.83 33.45 1tur s LYS 55 CO 0.00 -0.25 0.61 0.00 0.10 0.00 0.00 175.35 175.81