#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 2.45 -0.92 1.96 0.00 -1.26 -5.11 120.51 117.63 1tur n ALA 2 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1tur n ALA 2 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.31 0.00 -3.66 0.00 0.00 -1.26 -4.83 120.51 107.45 1tur n ALA 3 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 1tur n ALA 3 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 -0.71 -0.24 0.00 0.11 -1.26 -5.12 120.40 113.19 1tur s VAL 4 Ca 0.00 0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1tur s VAL 4 Cb 0.00 -0.76 0.09 0.00 -1.53 0.00 0.00 36.38 34.19 1tur s VAL 4 CO 0.00 0.05 0.18 -0.55 -3.33 0.00 0.00 175.10 171.45 1tur s SER 5 N 2.63 2.27 1.13 3.54 0.15 -1.26 -4.79 113.70 117.37 1tur s SER 5 Ca -0.03 -0.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.78 1tur s SER 5 Cb -0.12 0.05 0.26 0.00 -1.71 0.00 0.00 66.02 64.50 1tur s SER 5 CO -0.15 -0.38 1.05 -0.69 1.20 0.00 0.00 173.24 174.28 1tur s VAL 6 N 2.22 2.01 -0.15 4.45 1.01 -1.26 -5.00 120.40 123.69 1tur s VAL 6 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1tur s VAL 6 Cb -0.16 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1tur s VAL 6 CO -0.22 -0.01 -0.11 -1.81 0.00 0.00 0.00 175.10 172.95 1tur s ASP 7 N -2.49 4.11 -0.01 3.32 1.11 -1.26 -4.98 116.67 116.47 1tur s ASP 7 Ca 0.68 -0.32 0.11 0.00 0.18 0.00 0.00 52.55 53.21 1tur s ASP 7 Cb -0.25 -1.64 0.19 0.00 1.07 0.00 0.00 42.92 42.29 1tur s ASP 7 CO 0.64 0.14 1.08 0.00 1.18 0.00 0.00 175.17 178.20 1tur h SER 9 N 0.43 0.00 -0.63 0.00 0.87 -1.96 -3.36 113.55 108.90 1tur h SER 9 Ca -0.09 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.12 1tur h SER 9 Cb 1.58 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 63.33 1tur h SER 9 CO 0.04 0.00 0.19 -0.62 -0.53 0.00 0.00 176.83 175.91 1tur n GLU 10 N -2.95 2.13 -4.04 2.24 4.71 -1.26 -4.98 120.64 116.48 1tur n GLU 10 Ca 0.01 -3.20 -0.10 0.00 -0.01 0.00 0.00 57.16 53.86 1tur n GLU 10 Cb 0.29 -2.00 -0.11 0.00 -1.01 0.00 0.00 31.44 28.61 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 -3.34 0.46 0.40 -0.32 1.51 -1.26 -4.64 117.35 110.17 1tur s TYR 11 Ca 0.51 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1tur s TYR 11 Cb 0.44 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.98 1tur s TYR 11 CO 0.03 -0.21 0.57 -1.25 -1.11 0.00 0.00 175.55 173.59 1tur s PRO 12 N -2.25 2.99 0.39 -1.71 0.04 -1.26 -4.92 135.00 128.29 1tur s PRO 12 Ca -0.07 -0.90 0.08 0.00 0.04 0.00 0.00 61.00 60.15 1tur s PRO 12 Cb -0.05 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1tur s PRO 12 CO -0.03 -0.16 0.36 0.15 0.04 0.00 0.00 177.00 177.36 1tur s LYS 13 N -4.36 2.60 0.01 4.56 1.02 -1.26 -5.04 119.74 117.28 1tur s LYS 13 Ca 0.49 -1.45 0.16 0.00 0.02 0.00 0.00 55.97 55.19 1tur s LYS 13 Cb -0.10 -2.42 -0.17 0.00 -0.52 0.00 0.00 37.83 34.62 1tur s LYS 13 CO 0.34 -0.11 0.71 -0.35 -0.92 0.00 0.00 175.35 175.02 1tur n PRO 14 N -1.51 0.63 -3.82 -1.68 -0.05 -1.26 -5.02 135.00 122.29 1tur n PRO 14 Ca 0.02 0.20 -0.12 0.00 -0.05 0.00 0.00 63.50 63.55 1tur n PRO 14 Cb 0.61 -1.77 -0.09 0.00 -0.05 0.00 0.00 33.50 32.20 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 -2.85 -0.52 0.08 0.55 0.00 -1.26 -5.17 121.76 112.59 1tur s ALA 15 Ca -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1tur s ALA 15 Cb 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1tur s ALA 15 CO 0.82 -0.23 -0.02 0.00 0.00 0.00 0.00 175.76 176.33 1tur s THR 17 N -3.89 3.99 -0.12 0.00 -4.23 -1.26 -4.99 115.64 105.15 1tur s THR 17 Ca 0.12 1.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.86 1tur s THR 17 Cb 0.07 -3.49 -0.18 0.00 1.34 0.00 0.00 72.50 70.24 1tur s THR 17 CO -0.06 -0.41 0.10 0.00 -0.54 0.00 0.00 174.62 173.71 1tur n LEU 18 N -1.35 0.00 -4.77 4.79 -0.00 -1.26 -4.93 117.00 109.49 1tur n LEU 18 Ca 0.08 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.68 1tur n LEU 18 Cb 0.53 0.28 -0.01 0.00 -0.00 0.00 0.00 43.42 44.22 1tur n LEU 18 CO 0.43 0.28 1.16 -1.83 -0.00 0.00 0.00 177.39 177.43 1tur s GLU 19 N -2.47 4.14 -0.38 1.47 1.03 -1.26 -4.88 118.70 116.35 1tur s GLU 19 Ca -0.07 2.54 -0.24 0.00 0.03 0.00 0.00 54.97 57.23 1tur s GLU 19 Cb 0.05 -3.00 0.01 0.00 -0.80 0.00 0.00 34.13 30.39 1tur s GLU 19 CO 0.58 -0.54 0.83 -0.47 -1.33 0.00 0.00 175.26 174.33 1tur s TYR 20 N -0.67 3.08 -0.47 4.83 5.04 -1.26 -4.81 117.35 123.10 1tur s TYR 20 Ca 0.56 0.58 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 1tur s TYR 20 Cb -0.46 -3.53 0.15 0.00 0.35 0.00 0.00 41.96 38.47 1tur s TYR 20 CO 0.56 -0.80 0.29 1.03 -1.34 0.00 0.00 175.55 175.29 1tur s ARG 21 N 3.26 1.33 0.38 4.97 0.52 -0.98 -5.06 118.95 123.37 1tur s ARG 21 Ca 0.33 -2.16 -0.28 0.00 -0.52 0.00 0.00 55.73 53.10 1tur s ARG 21 Cb -0.13 -2.25 -0.11 0.00 0.52 0.00 0.00 34.95 32.98 1tur s ARG 21 CO 0.18 -1.22 1.49 -1.25 0.02 0.00 0.00 175.30 174.52 1tur s PRO 22 N 0.10 4.10 -0.09 3.54 0.04 -1.26 -3.99 135.00 137.45 1tur s PRO 22 Ca 0.21 2.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.83 1tur s PRO 22 Cb -0.17 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 31.43 1tur s PRO 22 CO -0.06 -0.54 -0.04 -0.51 0.04 0.00 0.00 177.00 175.90 1tur s LEU 23 N -2.08 0.91 0.41 -3.56 1.02 -1.00 0.97 118.68 115.35 1tur s LEU 23 Ca 0.53 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.46 1tur s LEU 23 Cb -0.47 -0.62 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 1tur s LEU 23 CO 0.63 -0.15 0.67 0.00 0.02 0.00 0.00 176.35 177.53 1tur n GLY 25 N -1.94 3.33 0.13 0.00 0.00 -0.83 -3.43 105.19 102.45 1tur n GLY 25 Ca -0.02 -2.31 0.07 0.00 0.00 0.00 0.00 46.02 43.76 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 0.79 0.00 0.00 1.61 0.87 -1.28 -2.08 113.55 113.46 1tur h SER 26 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1tur h SER 26 Cb 1.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1tur h SER 26 CO 0.51 0.21 0.01 -2.24 -0.53 0.00 0.00 176.83 174.80 1tur h ASP 27 N 0.00 0.00 -1.09 6.23 2.03 -1.96 -3.45 116.42 118.18 1tur h ASP 27 Ca -0.04 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.09 1tur h ASP 27 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1tur h ASP 27 CO 0.02 0.00 -0.20 -3.20 -1.03 0.00 0.00 179.24 174.83 1tur n ASN 28 N -3.01 -3.03 -4.82 4.15 2.85 -0.78 -5.06 115.26 105.57 1tur n ASN 28 Ca -0.03 0.01 -0.23 0.00 -0.11 0.00 0.00 54.58 54.22 1tur n ASN 28 Cb 0.08 -2.23 -0.05 0.00 1.24 0.00 0.00 39.78 38.82 1tur n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1tur s LYS 29 N -4.24 2.36 0.44 1.20 -0.14 -1.26 -4.93 119.74 113.17 1tur s LYS 29 Ca 0.00 -1.74 0.08 0.00 -1.36 0.00 0.00 55.97 52.95 1tur s LYS 29 Cb 0.00 -2.16 0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1tur s LYS 29 CO 0.00 -0.21 0.54 0.99 -0.76 0.00 0.00 175.35 175.91 1tur s THR 30 N -2.57 2.75 0.01 2.17 2.01 -1.26 -1.96 115.64 116.79 1tur s THR 30 Ca 0.43 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1tur s THR 30 Cb 0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1tur s THR 30 CO 0.24 0.00 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.82 1tur s TYR 31 N -2.44 0.39 0.41 4.92 2.02 -0.36 -4.95 117.35 117.33 1tur s TYR 31 Ca 0.53 -0.20 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 1tur s TYR 31 Cb -0.07 -0.24 0.86 0.00 -0.40 0.00 0.00 41.96 42.11 1tur s TYR 31 CO 0.32 -0.04 2.05 0.78 -1.57 0.00 0.00 175.55 177.08 1tur h GLY 32 N 5.58 0.52 0.00 0.71 0.00 -1.88 -2.66 103.07 105.34 1tur h GLY 32 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1tur h GLY 32 CO 0.47 0.20 0.00 1.16 0.00 0.00 0.00 176.54 178.38 1tur n ASN 33 N -4.46 0.00 0.12 0.19 0.23 -1.26 -2.32 115.26 107.77 1tur n ASN 33 Ca 0.02 -0.08 0.13 0.00 -0.53 0.00 0.00 54.58 54.13 1tur n ASN 33 Cb 0.08 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.07 -3.83 5.09 -1.88 0.81 116.57 116.82 1tur h LYS 34 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 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 0.00 -0.03 0.00 -2.09 0.00 0.00 179.45 177.33 1tur h ASN 36 N -0.61 0.00 0.51 0.00 2.35 -1.90 0.43 115.58 116.36 1tur h ASN 36 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1tur h ASN 36 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1tur h ASN 36 CO 0.02 0.74 -0.25 0.15 -1.65 0.00 0.00 177.43 176.44 1tur h PHE 37 N 0.00 -0.64 0.00 1.19 3.57 -0.93 -2.53 116.94 117.61 1tur h PHE 37 Ca -0.03 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1tur h PHE 37 Cb 1.59 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 1tur h PHE 37 CO 0.00 -0.35 -0.14 0.00 -2.23 0.00 0.00 178.31 175.60 1tur h ASN 39 N 0.00 -0.34 0.67 0.00 2.35 -0.97 -0.53 115.58 116.77 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 0.98 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1tur h ASN 39 CO 0.02 -0.16 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 1tur n ALA 40 N -2.32 1.67 -0.08 -0.83 0.00 -0.59 -0.89 120.51 117.48 1tur n ALA 40 Ca -0.10 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1tur n ALA 40 Cb 0.21 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 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 0.54 0.00 0.00 2.07 -1.15 -2.04 116.25 115.68 1tur h VAL 41 Ca 0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1tur h VAL 41 Cb 0.34 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1tur h VAL 41 CO 0.00 0.18 0.00 1.62 0.02 0.00 0.00 177.57 179.39 1tur h VAL 42 N -1.00 0.00 0.16 2.57 3.04 -0.99 0.39 116.25 120.42 1tur h VAL 42 Ca -0.10 -0.37 -0.29 0.00 -1.01 0.00 0.00 66.70 64.93 1tur h VAL 42 Cb 0.70 1.36 0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1tur h VAL 42 CO -0.06 0.00 -1.30 -0.08 -1.01 0.00 0.00 177.57 175.12 1tur h GLU 43 N 0.00 0.39 0.00 4.17 4.81 -1.17 -3.26 114.58 119.52 1tur h GLU 43 Ca 0.00 -0.63 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 1tur h GLU 43 Cb 0.37 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1tur h GLU 43 CO 0.00 1.29 -0.02 1.03 -0.73 0.00 0.00 179.01 180.58 1tur h SER 44 N 0.12 0.00 -4.02 1.04 0.87 0.47 -3.46 113.55 108.57 1tur h SER 44 Ca -0.17 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 1tur h SER 44 Cb 2.00 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 64.06 1tur h SER 44 CO 0.23 0.02 -0.41 -3.20 -0.53 0.00 0.00 176.83 172.95 1tur n ASN 45 N -3.64 -3.23 -3.36 6.23 2.85 -0.25 -4.17 115.26 109.69 1tur n ASN 45 Ca -0.03 -0.33 -0.20 0.00 -0.11 0.00 0.00 54.58 53.91 1tur n ASN 45 Cb 0.12 -2.82 0.08 0.00 1.24 0.00 0.00 39.78 38.40 1tur n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1tur n GLY 46 N -1.22 -0.41 0.00 8.20 0.00 -1.18 -4.85 105.19 105.73 1tur n GLY 46 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.57 0.00 -3.79 2.61 5.66 -1.26 -5.01 114.28 107.91 1tur n THR 47 Ca -0.08 -0.03 -0.36 0.00 -3.05 0.00 0.00 64.05 60.53 1tur n THR 47 Cb 0.59 0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 69.75 1tur n THR 47 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1tur s LEU 48 N -0.42 4.31 0.21 1.09 2.96 -1.26 -4.99 118.68 120.58 1tur s LEU 48 Ca 0.00 0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1tur s LEU 48 Cb 0.00 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1tur s LEU 48 CO 0.00 0.30 0.35 0.42 -1.32 0.00 0.00 176.35 176.10 1tur s THR 49 N -0.40 0.02 -0.22 3.68 -4.23 -1.26 -4.79 115.64 108.44 1tur s THR 49 Ca 0.12 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1tur s THR 49 Cb -0.12 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 1tur s THR 49 CO 0.02 -0.09 0.01 -0.22 -0.54 0.00 0.00 174.62 173.80 1tur s LEU 50 N -3.03 3.23 0.18 4.79 0.20 -1.26 -0.79 118.68 122.00 1tur s LEU 50 Ca 0.24 -0.25 0.12 0.00 0.69 0.00 0.00 54.13 54.93 1tur s LEU 50 Cb 0.02 -1.84 -0.08 0.00 -0.43 0.00 0.00 46.19 43.87 1tur s LEU 50 CO 0.07 0.01 1.30 -1.28 -0.29 0.00 0.00 176.35 176.16 1tur h SER 51 N 7.87 0.00 -4.20 3.68 0.87 -1.79 -3.46 113.55 116.51 1tur h SER 51 Ca -0.38 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.39 1tur h SER 51 Cb 1.17 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.94 1tur h SER 51 CO 0.60 0.73 0.74 -1.38 -0.53 0.00 0.00 176.83 176.99 1tur s HIS 52 N -2.84 -0.18 0.79 2.24 0.00 -1.26 -4.84 115.29 109.20 1tur s HIS 52 Ca 0.02 0.15 -0.13 0.00 -3.00 0.00 0.00 55.06 52.10 1tur s HIS 52 Cb 0.09 0.51 0.20 0.00 -4.00 0.00 0.00 32.58 29.38 1tur s HIS 52 CO 0.78 -0.26 0.49 1.19 -1.00 0.00 0.00 174.74 175.94 1tur n PHE 53 N 0.01 -3.04 -4.26 0.38 3.01 -1.26 -2.36 117.46 109.95 1tur n PHE 53 Ca -0.02 -0.46 0.04 0.00 1.01 0.00 0.00 57.45 58.02 1tur n PHE 53 Cb 0.59 -0.68 -0.01 0.00 -0.01 0.00 0.00 39.48 39.37 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 -2.99 -1.17 3.92 1.37 0.00 0.27 -4.51 105.19 102.08 1tur n GLY 54 Ca 0.08 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.41 3.55 0.00 1.61 0.00 -1.24 -3.12 119.74 120.12 1tur s LYS 55 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 55.97 55.83 1tur s LYS 55 Cb 0.00 -2.66 0.22 0.00 0.00 0.00 0.00 37.83 35.39 1tur s LYS 55 CO 0.00 0.18 0.70 0.00 0.00 0.00 0.00 175.35 176.23