#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 4.75 -3.00 1.96 0.00 -1.26 -4.96 120.51 118.01 1tur n ALA 2 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1tur n ALA 2 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.38 0.00 -2.69 0.00 0.00 -1.26 -5.12 120.51 111.07 1tur n ALA 3 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 1tur n ALA 3 Cb 1.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.81 1tur n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1tur s VAL 4 N -1.76 5.03 -0.23 0.00 -7.23 -1.26 -5.03 120.40 109.92 1tur s VAL 4 Ca 0.00 1.33 -0.35 0.00 -1.81 0.00 0.00 61.98 61.14 1tur s VAL 4 Cb 0.00 -4.00 0.15 0.00 0.56 0.00 0.00 36.38 33.09 1tur s VAL 4 CO 0.00 0.17 1.27 -0.94 -0.31 0.00 0.00 175.10 175.29 1tur s SER 5 N 0.98 -0.10 0.01 4.85 1.04 -1.26 -4.92 113.70 114.30 1tur s SER 5 Ca 0.33 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1tur s SER 5 Cb -0.17 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1tur s SER 5 CO 0.14 -0.16 -0.04 -0.69 0.98 0.00 0.00 173.24 173.47 1tur s VAL 6 N -2.15 0.26 -0.58 5.02 1.01 -1.26 -4.96 120.40 117.75 1tur s VAL 6 Ca 0.10 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1tur s VAL 6 Cb -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1tur s VAL 6 CO -0.04 -0.12 1.38 -1.81 0.00 0.00 0.00 175.10 174.51 1tur s ASP 7 N -0.59 6.15 -0.23 3.32 1.01 -1.26 -4.84 116.67 120.23 1tur s ASP 7 Ca -0.04 0.21 0.14 0.00 0.71 0.00 0.00 52.55 53.57 1tur s ASP 7 Cb -0.04 -2.55 0.60 0.00 1.01 0.00 0.00 42.92 41.94 1tur s ASP 7 CO -0.00 -1.70 1.54 0.00 0.21 0.00 0.00 175.17 175.21 1tur h SER 9 N 2.08 0.00 -1.90 0.00 0.87 -1.97 -3.36 113.55 109.27 1tur h SER 9 Ca 0.08 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.06 1tur h SER 9 Cb 1.70 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 63.24 1tur h SER 9 CO 0.37 0.09 -0.72 -1.84 -0.53 0.00 0.00 176.83 174.21 1tur n GLU 10 N -3.22 3.19 -4.10 2.24 0.00 -1.26 -5.03 120.64 112.46 1tur n GLU 10 Ca 0.01 -4.61 -0.11 0.00 0.00 0.00 0.00 57.16 52.45 1tur n GLU 10 Cb 0.37 -2.20 -0.11 0.00 0.00 0.00 0.00 31.44 29.51 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 -3.46 0.70 0.42 -1.84 1.51 -1.26 -4.75 117.35 108.67 1tur s TYR 11 Ca 0.48 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1tur s TYR 11 Cb 0.34 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1tur s TYR 11 CO -0.15 -0.15 0.32 -1.25 -1.11 0.00 0.00 175.55 173.20 1tur s PRO 12 N -2.66 2.42 0.14 -1.71 0.05 -1.26 -5.05 135.00 126.93 1tur s PRO 12 Ca -0.01 -1.66 0.06 0.00 0.05 0.00 0.00 61.00 59.45 1tur s PRO 12 Cb -0.02 -2.24 -0.04 0.00 0.05 0.00 0.00 34.50 32.25 1tur s PRO 12 CO -0.03 -0.19 -0.14 0.15 0.05 0.00 0.00 177.00 176.84 1tur s LYS 13 N -4.07 1.11 0.40 4.56 1.02 -1.26 -5.04 119.74 116.46 1tur s LYS 13 Ca 0.45 -1.33 0.21 0.00 0.02 0.00 0.00 55.97 55.32 1tur s LYS 13 Cb -0.01 -0.97 0.72 0.00 -0.52 0.00 0.00 37.83 37.05 1tur s LYS 13 CO 0.26 0.18 1.74 -1.00 -0.92 0.00 0.00 175.35 175.61 1tur h PRO 14 N 3.28 0.00 0.00 -1.68 0.14 -2.02 -3.46 132.00 128.25 1tur h PRO 14 Ca -0.40 0.00 0.17 0.00 0.14 0.00 0.00 66.00 65.91 1tur h PRO 14 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.31 1tur h PRO 14 CO 0.53 0.30 0.46 0.00 0.14 0.00 0.00 178.00 179.43 1tur n ALA 15 N -2.24 -1.88 -3.03 -0.56 0.00 -1.26 -5.19 120.51 106.35 1tur n ALA 15 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 1tur n ALA 15 Cb 0.50 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 1tur n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tur s THR 17 N -3.98 2.06 -1.55 0.00 -4.23 -1.26 -4.89 115.64 101.79 1tur s THR 17 Ca 0.19 0.04 0.22 0.00 -1.18 0.00 0.00 61.69 60.96 1tur s THR 17 Cb 0.01 -3.02 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1tur s THR 17 CO 0.04 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.15 1tur n LEU 18 N -0.97 1.51 -4.75 4.79 -0.00 -1.26 -4.93 117.00 111.40 1tur n LEU 18 Ca 0.10 -0.61 -0.41 0.00 -0.00 0.00 0.00 56.01 55.08 1tur n LEU 18 Cb 0.45 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.84 1tur n LEU 18 CO 0.53 0.31 1.23 -1.83 -0.00 0.00 0.00 177.39 177.63 1tur s GLU 19 N -2.72 4.14 -0.49 1.47 1.03 -1.26 -4.85 118.70 116.02 1tur s GLU 19 Ca 0.14 2.53 -0.15 0.00 0.03 0.00 0.00 54.97 57.53 1tur s GLU 19 Cb 0.17 -3.04 0.10 0.00 -0.80 0.00 0.00 34.13 30.56 1tur s GLU 19 CO 0.71 -0.60 0.41 -0.47 -1.33 0.00 0.00 175.26 173.97 1tur s TYR 20 N 0.06 3.27 -0.60 4.83 5.04 -1.26 -4.88 117.35 123.81 1tur s TYR 20 Ca 0.63 -1.18 0.06 0.00 -2.44 0.00 0.00 57.07 54.14 1tur s TYR 20 Cb -0.47 -3.39 0.24 0.00 0.35 0.00 0.00 41.96 38.69 1tur s TYR 20 CO 0.46 -0.89 0.67 0.54 -1.34 0.00 0.00 175.55 174.99 1tur n ARG 21 N 5.17 2.08 -0.68 4.97 5.12 -1.01 -5.05 116.66 127.26 1tur n ARG 21 Ca -0.12 -4.36 -0.31 0.00 -1.93 0.00 0.00 57.85 51.12 1tur n ARG 21 Cb 0.42 -2.06 0.17 0.00 -1.16 0.00 0.00 32.46 29.83 1tur n ARG 21 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1tur n PRO 22 N 1.11 -0.64 -3.66 5.56 -0.02 -0.81 -3.98 135.00 132.56 1tur n PRO 22 Ca 0.27 -0.13 -0.21 0.00 -2.02 0.00 0.00 63.50 61.41 1tur n PRO 22 Cb 0.43 -2.21 -0.18 0.00 -0.02 0.00 0.00 33.50 31.52 1tur n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1tur s LEU 23 N -5.19 0.17 0.57 2.45 1.02 -0.17 0.98 118.68 118.51 1tur s LEU 23 Ca 0.64 -0.03 -0.19 0.00 0.02 0.00 0.00 54.13 54.58 1tur s LEU 23 Cb -0.22 -0.14 -0.05 0.00 0.02 0.00 0.00 46.19 45.80 1tur s LEU 23 CO 0.61 -0.27 1.16 0.00 0.02 0.00 0.00 176.35 177.88 1tur n GLY 25 N 0.28 2.78 0.08 0.00 0.00 -0.80 -3.26 105.19 104.26 1tur n GLY 25 Ca 0.12 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 44.02 1tur n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tur n SER 26 N -1.97 0.62 0.16 1.61 7.64 0.03 -3.78 113.62 117.93 1tur n SER 26 Ca -0.00 0.16 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 1tur n SER 26 Cb 0.37 0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 64.38 1tur n SER 26 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1tur h ASP 27 N 0.00 -0.34 0.00 6.43 2.03 -1.95 -3.49 116.42 119.11 1tur h ASP 27 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1tur h ASP 27 Cb 0.95 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1tur h ASP 27 CO 0.00 -0.23 0.00 -3.20 -1.03 0.00 0.00 179.24 174.78 1tur n ASN 28 N -3.14 -0.12 -3.79 4.15 4.05 -1.25 -5.17 115.26 109.99 1tur n ASN 28 Ca -0.05 0.14 -0.30 0.00 0.45 0.00 0.00 54.58 54.83 1tur n ASN 28 Cb 0.16 0.27 0.26 0.00 1.23 0.00 0.00 39.78 41.70 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1tur s LYS 29 N -2.00 -1.94 -0.14 1.20 -0.14 -1.26 -4.54 119.74 110.92 1tur s LYS 29 Ca 0.00 0.19 0.01 0.00 -1.36 0.00 0.00 55.97 54.82 1tur s LYS 29 Cb 0.00 -1.49 0.02 0.00 -1.68 0.00 0.00 37.83 34.68 1tur s LYS 29 CO 0.00 -4.24 -0.17 0.99 -0.76 0.00 0.00 175.35 171.17 1tur s THR 30 N -2.57 1.74 0.15 2.17 2.01 -1.26 -1.91 115.64 115.97 1tur s THR 30 Ca 0.69 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1tur s THR 30 Cb -0.14 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1tur s THR 30 CO 0.58 0.49 0.46 -0.31 -0.69 0.00 0.00 174.62 175.15 1tur s TYR 31 N 1.11 3.51 0.36 4.92 2.02 -0.12 -4.91 117.35 124.23 1tur s TYR 31 Ca -0.02 0.80 0.07 0.00 -0.37 0.00 0.00 57.07 57.55 1tur s TYR 31 Cb -0.14 -2.18 0.67 0.00 -0.40 0.00 0.00 41.96 39.91 1tur s TYR 31 CO -0.05 0.41 1.86 0.78 -1.57 0.00 0.00 175.55 176.98 1tur h GLY 32 N 3.13 0.34 0.00 0.71 0.00 -1.88 -0.43 103.07 104.94 1tur h GLY 32 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1tur h GLY 32 CO 0.69 0.21 0.00 1.16 0.00 0.00 0.00 176.54 178.60 1tur n ASN 33 N -4.23 0.00 0.26 0.19 0.23 -1.26 -1.92 115.26 108.53 1tur n ASN 33 Ca -0.00 -0.22 0.14 0.00 -0.53 0.00 0.00 54.58 53.97 1tur n ASN 33 Cb 0.30 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.61 1tur n ASN 33 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1tur h LYS 34 N 0.00 0.00 0.10 -3.83 5.09 -1.93 -0.02 116.57 115.98 1tur h LYS 34 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.52 1tur h LYS 34 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1tur h LYS 34 CO 0.00 0.09 -1.11 0.00 -2.09 0.00 0.00 179.45 176.34 1tur h ASN 36 N -0.46 0.00 0.79 0.00 2.35 -1.95 0.69 115.58 116.99 1tur h ASN 36 Ca -0.24 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 1tur h ASN 36 Cb 1.61 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.99 1tur h ASN 36 CO 0.05 0.46 -0.38 0.15 -1.65 0.00 0.00 177.43 176.07 1tur h PHE 37 N 0.00 -0.98 0.00 1.19 3.57 -1.09 -2.94 116.94 116.70 1tur h PHE 37 Ca -0.03 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1tur h PHE 37 Cb 1.38 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 40.44 1tur h PHE 37 CO 0.00 -0.61 -0.10 0.00 -2.23 0.00 0.00 178.31 175.37 1tur h ASN 39 N 0.00 -0.21 0.99 0.00 2.35 -0.94 -0.16 115.58 117.61 1tur h ASN 39 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1tur h ASN 39 Cb 0.71 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1tur h ASN 39 CO 0.01 -0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 1tur h ALA 40 N 0.46 1.00 0.21 -0.83 0.00 -1.05 -0.47 119.26 118.59 1tur h ALA 40 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tur h ALA 40 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tur h ALA 40 CO 0.04 0.00 -0.10 0.28 0.00 0.00 0.00 179.25 179.47 1tur h VAL 41 N 0.00 0.00 0.00 0.00 2.07 -1.20 -2.44 116.25 114.68 1tur h VAL 41 Ca 0.00 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1tur h VAL 41 Cb 0.50 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1tur h VAL 41 CO 0.00 0.00 -0.12 1.62 0.02 0.00 0.00 177.57 179.09 1tur h VAL 42 N -0.89 0.65 0.14 2.57 3.04 -0.85 -0.55 116.25 120.35 1tur h VAL 42 Ca -0.03 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 1tur h VAL 42 Cb 0.22 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1tur h VAL 42 CO 0.05 0.12 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.33 1tur h GLU 43 N 0.00 -0.18 0.00 4.17 4.39 -1.20 -3.27 114.58 118.49 1tur h GLU 43 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1tur h GLU 43 Cb 0.30 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1tur h GLU 43 CO 0.02 0.19 0.00 0.66 -1.16 0.00 0.00 179.01 178.71 1tur h SER 44 N -0.59 0.00 -4.25 1.42 4.64 -0.61 -3.46 113.55 110.71 1tur h SER 44 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1tur h SER 44 Cb 0.45 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.60 1tur h SER 44 CO 0.03 0.00 -0.23 -3.20 -0.87 0.00 0.00 176.83 172.56 1tur n ASN 45 N -2.32 -4.69 -3.32 4.97 5.15 -0.78 -4.38 115.26 109.89 1tur n ASN 45 Ca -0.01 -0.21 -0.19 0.00 -0.60 0.00 0.00 54.58 53.58 1tur n ASN 45 Cb 0.09 -3.08 0.08 0.00 -0.53 0.00 0.00 39.78 36.34 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 -1.38 -0.37 1.25 8.20 0.00 -1.21 -4.90 105.19 106.78 1tur n GLY 46 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.32 0.41 -1.78 2.61 -2.24 -1.26 -5.04 114.28 102.66 1tur n THR 47 Ca -0.15 0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 1tur n THR 47 Cb 0.61 -1.29 0.05 0.00 -2.10 0.00 0.00 70.33 67.60 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 -6.30 3.43 0.02 3.22 2.96 -1.26 -4.99 118.68 115.75 1tur s LEU 48 Ca 0.00 2.08 -0.29 0.00 -0.22 0.00 0.00 54.13 55.70 1tur s LEU 48 Cb 0.00 -4.56 0.10 0.00 0.50 0.00 0.00 46.19 42.23 1tur s LEU 48 CO 0.00 -1.67 1.11 0.28 -1.32 0.00 0.00 176.35 174.75 1tur s THR 49 N -2.20 0.00 -0.28 3.68 -1.32 -1.26 -4.86 115.64 109.40 1tur s THR 49 Ca 0.69 -0.30 -0.11 0.00 -1.21 0.00 0.00 61.69 60.76 1tur s THR 49 Cb -0.22 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 1tur s THR 49 CO 0.40 0.00 0.18 -0.22 -2.21 0.00 0.00 174.62 172.77 1tur s LEU 50 N -2.77 4.02 -0.02 9.08 2.96 -1.26 -0.79 118.68 129.90 1tur s LEU 50 Ca 0.11 -0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.74 1tur s LEU 50 Cb 0.01 -2.10 -0.27 0.00 0.50 0.00 0.00 46.19 44.33 1tur s LEU 50 CO -0.03 -0.07 1.01 -1.28 -1.32 0.00 0.00 176.35 174.66 1tur h SER 51 N 8.37 0.49 -4.33 3.68 0.87 -1.73 -3.47 113.55 117.43 1tur h SER 51 Ca -0.35 -0.84 0.18 0.00 -1.23 0.00 0.00 61.79 59.55 1tur h SER 51 Cb 1.18 -0.15 -0.18 0.00 -0.44 0.00 0.00 62.40 62.81 1tur h SER 51 CO 0.56 1.28 0.66 -1.38 -0.53 0.00 0.00 176.83 177.43 1tur s HIS 52 N -2.88 -0.24 0.90 2.24 0.00 -1.26 -4.97 115.29 109.08 1tur s HIS 52 Ca -0.13 0.20 -0.15 0.00 -3.00 0.00 0.00 55.06 51.97 1tur s HIS 52 Cb 0.02 0.52 0.23 0.00 -4.00 0.00 0.00 32.58 29.35 1tur s HIS 52 CO 0.82 -0.35 0.56 1.19 -1.00 0.00 0.00 174.74 175.97 1tur n PHE 53 N -0.03 -3.19 -3.86 0.38 3.01 -1.26 -2.33 117.46 110.19 1tur n PHE 53 Ca -0.04 -0.52 0.06 0.00 1.01 0.00 0.00 57.45 57.95 1tur n PHE 53 Cb 0.60 -0.77 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 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 -3.38 -1.26 3.95 1.37 0.00 0.28 -4.41 105.19 101.73 1tur n GLY 54 Ca 0.09 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.68 3.48 0.00 1.61 0.00 -1.25 -2.47 119.74 120.43 1tur s LYS 55 Ca 0.00 -0.44 0.27 0.00 0.00 0.00 0.00 55.97 55.80 1tur s LYS 55 Cb 0.00 -2.74 1.59 0.00 0.00 0.00 0.00 37.83 36.68 1tur s LYS 55 CO 0.00 0.25 1.94 0.00 0.00 0.00 0.00 175.35 177.55