#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d49 s THR 2 N 0.00 3.35 -0.29 0.00 -1.32 -1.26 -5.08 115.64 111.04 2d49 s THR 2 Ca 0.00 -0.59 -0.29 0.00 -1.21 0.00 0.00 61.69 59.60 2d49 s THR 2 Cb 0.00 -2.37 0.20 0.00 -1.51 0.00 0.00 72.50 68.82 2d49 s THR 2 CO 0.00 0.57 1.38 0.00 -2.21 0.00 0.00 174.62 174.36 2d49 s ALA 4 N -0.99 3.81 0.07 0.00 0.00 -1.26 -5.04 121.76 118.35 2d49 s ALA 4 Ca 0.09 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2d49 s ALA 4 Cb -0.01 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 2d49 s ALA 4 CO -0.08 0.54 1.88 -2.37 0.00 0.00 0.00 175.76 175.72 2d49 n THR 5 N -0.43 0.52 -1.56 0.00 5.66 -1.26 -3.20 114.28 114.01 2d49 n THR 5 Ca -0.07 -0.09 -0.43 0.00 -3.05 0.00 0.00 64.05 60.40 2d49 n THR 5 Cb 0.54 -2.15 -0.00 0.00 -1.55 0.00 0.00 70.33 67.17 2d49 n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d49 n ALA 6 N 6.33 -0.48 -1.56 1.79 0.00 -1.26 -2.01 120.51 123.32 2d49 n ALA 6 Ca 0.19 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2d49 n ALA 6 Cb 0.37 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 17.86 2d49 n ALA 6 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2d49 n TRP 7 N -0.24 0.63 -3.71 0.00 -0.00 -0.99 -4.71 117.44 108.43 2d49 n TRP 7 Ca 0.10 0.59 -0.22 0.00 -0.00 0.00 0.00 57.50 57.97 2d49 n TRP 7 Cb 0.35 -2.15 -0.18 0.00 -0.00 0.00 0.00 31.31 29.34 2d49 n TRP 7 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2d49 s SER 8 N -0.82 1.48 0.57 5.87 0.01 -1.26 -5.00 113.70 114.55 2d49 s SER 8 Ca 0.63 -0.08 0.36 0.00 1.31 0.00 0.00 55.95 58.18 2d49 s SER 8 Cb -0.58 -0.28 1.59 0.00 0.21 0.00 0.00 66.02 66.95 2d49 s SER 8 CO 0.57 -0.24 2.06 0.77 0.41 0.00 0.00 173.24 176.81 2d49 h SER 9 N 8.39 0.00 -0.69 2.44 4.64 -1.96 -2.37 113.55 124.00 2d49 h SER 9 Ca -0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.88 2d49 h SER 9 Cb 1.12 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2d49 h SER 9 CO 0.21 0.00 0.36 -1.20 -0.87 0.00 0.00 176.83 175.34 2d49 n SER 10 N -3.06 3.94 -3.24 4.97 7.64 -1.26 -4.26 113.62 118.36 2d49 n SER 10 Ca -0.00 -3.11 -0.02 0.00 1.01 0.00 0.00 58.87 56.75 2d49 n SER 10 Cb 0.25 -0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2d49 n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d49 s SER 11 N -0.75 -0.60 0.19 6.43 0.01 -0.89 -5.14 113.70 112.95 2d49 s SER 11 Ca 0.44 0.21 -0.32 0.00 1.31 0.00 0.00 55.95 57.59 2d49 s SER 11 Cb 0.36 1.61 -0.11 0.00 0.21 0.00 0.00 66.02 68.10 2d49 s SER 11 CO 0.10 -0.31 1.61 0.54 0.41 0.00 0.00 173.24 175.59 2d49 s VAL 12 N 2.70 2.42 -0.11 3.43 0.11 -1.26 -4.70 120.40 122.97 2d49 s VAL 12 Ca 0.13 0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.46 2d49 s VAL 12 Cb -0.13 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 2d49 s VAL 12 CO -0.24 0.03 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.24 2d49 s TYR 13 N 1.06 3.11 0.22 1.54 2.02 -0.91 -4.94 117.35 119.46 2d49 s TYR 13 Ca 0.71 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.45 2d49 s TYR 13 Cb -0.46 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 2d49 s TYR 13 CO 0.33 0.28 0.13 0.25 -1.57 0.00 0.00 175.55 174.96 2d49 n THR 14 N 2.69 0.00 -1.64 -0.71 -2.24 -1.26 -0.32 114.28 110.81 2d49 n THR 14 Ca -0.18 -0.93 -0.49 0.00 -2.27 0.00 0.00 64.05 60.18 2d49 n THR 14 Cb 0.53 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 2d49 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2d49 n ASN 15 N -1.74 2.46 0.00 3.42 5.15 -1.25 -0.47 115.26 122.83 2d49 n ASN 15 Ca -0.03 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 2d49 n ASN 15 Cb 0.26 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 2d49 n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 16 N 3.06 3.12 3.55 8.20 0.00 -1.24 -4.91 105.19 116.98 2d49 n GLY 16 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2d49 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d49 s GLY 17 N -2.16 -0.29 0.25 -0.02 0.00 0.38 -4.81 107.32 100.67 2d49 s GLY 17 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 2d49 s GLY 17 CO 0.00 3.98 0.59 -1.59 0.00 0.00 0.00 173.10 176.08 2d49 s THR 18 N 11.47 4.87 0.37 0.90 2.01 -1.26 -2.48 115.64 131.52 2d49 s THR 18 Ca 0.91 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.47 2d49 s THR 18 Cb -0.16 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2d49 s THR 18 CO 0.25 -0.08 0.53 0.68 -0.69 0.00 0.00 174.62 175.31 2d49 s VAL 19 N -1.84 0.00 0.07 3.82 -7.23 0.43 -4.27 120.40 111.38 2d49 s VAL 19 Ca 0.49 -1.52 0.08 0.00 -1.81 0.00 0.00 61.98 59.21 2d49 s VAL 19 Cb -0.11 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2d49 s VAL 19 CO 0.20 0.00 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.84 2d49 s SER 20 N -3.25 2.54 -0.29 4.85 1.04 -0.85 -0.45 113.70 117.29 2d49 s SER 20 Ca 0.29 -0.59 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 2d49 s SER 20 Cb -0.01 -0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.11 2d49 s SER 20 CO 0.21 0.12 1.37 -0.47 0.98 0.00 0.00 173.24 175.46 2d49 s TYR 21 N -0.95 -0.11 -1.93 5.02 5.04 0.72 -2.34 117.35 122.81 2d49 s TYR 21 Ca 0.07 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2d49 s TYR 21 Cb -0.09 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2d49 s TYR 21 CO 0.03 -0.06 0.00 -1.71 -1.34 0.00 0.00 175.55 172.47 2d49 n ASN 22 N 1.52 -5.25 0.00 4.32 5.15 -1.26 -1.16 115.26 118.59 2d49 n ASN 22 Ca -0.09 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2d49 n ASN 22 Cb 0.57 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.45 2d49 n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d49 n GLY 23 N -0.73 2.17 2.37 8.20 0.00 -1.26 -5.01 105.19 110.93 2d49 n GLY 23 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2d49 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d49 n ARG 24 N -2.00 0.95 -4.89 1.61 1.74 -0.30 -0.39 116.66 113.38 2d49 n ARG 24 Ca 0.00 -2.10 -0.32 0.00 -0.77 0.00 0.00 57.85 54.65 2d49 n ARG 24 Cb 0.00 0.17 -0.16 0.00 -1.02 0.00 0.00 32.46 31.44 2d49 n ARG 24 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2d49 s ASN 25 N -3.04 3.20 -0.15 0.55 0.01 -1.01 -0.20 114.94 114.31 2d49 s ASN 25 Ca 0.22 -0.56 -0.06 0.00 -0.71 0.00 0.00 52.86 51.75 2d49 s ASN 25 Cb -0.02 -1.45 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 2d49 s ASN 25 CO 0.14 0.12 0.07 -0.31 -1.51 0.00 0.00 177.10 175.61 2d49 s TYR 26 N 0.60 3.31 -0.22 2.20 2.02 0.40 -0.17 117.35 125.48 2d49 s TYR 26 Ca -0.12 0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2d49 s TYR 26 Cb -0.17 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 2d49 s TYR 26 CO 0.03 0.36 -0.09 0.99 -1.57 0.00 0.00 175.55 175.27 2d49 s THR 27 N -0.24 2.77 1.03 -0.71 2.01 0.48 -0.43 115.64 120.55 2d49 s THR 27 Ca 0.08 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 2d49 s THR 27 Cb -0.12 -2.31 0.20 0.00 0.01 0.00 0.00 72.50 70.28 2d49 s THR 27 CO 0.01 0.34 1.09 0.00 -0.69 0.00 0.00 174.62 175.38 2d49 s ALA 28 N 1.35 0.77 -0.02 7.40 0.00 -1.03 -2.47 121.76 127.76 2d49 s ALA 28 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2d49 s ALA 28 Cb -0.15 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2d49 s ALA 28 CO -0.06 -2.98 0.04 1.17 0.00 0.00 0.00 175.76 173.93 2d49 n LYS 29 N -4.27 1.96 -2.78 0.00 3.00 -1.06 -3.59 118.16 111.41 2d49 n LYS 29 Ca 0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.31 58.32 2d49 n LYS 29 Cb 0.57 -1.09 0.01 0.00 0.00 0.00 0.00 35.03 34.53 2d49 n LYS 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 2d49 n TRP 30 N -1.91 -1.22 -1.63 5.64 2.14 -1.26 -4.12 117.44 115.08 2d49 n TRP 30 Ca -0.03 -0.82 -0.50 0.00 2.07 0.00 0.00 57.50 58.21 2d49 n TRP 30 Cb 0.38 0.40 -0.05 0.00 -0.81 0.00 0.00 31.31 31.23 2d49 n TRP 30 CO 0.00 0.00 0.00 1.87 2.07 0.00 0.00 177.69 181.63 2d49 n TRP 31 N -0.39 1.86 -3.72 -2.67 -0.00 -1.26 -3.77 117.44 107.48 2d49 n TRP 31 Ca -0.02 0.47 -0.13 0.00 -0.00 0.00 0.00 57.50 57.82 2d49 n TRP 31 Cb 0.34 -2.43 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 2d49 n TRP 31 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2d49 s THR 32 N 1.02 -0.01 0.52 5.87 -1.32 0.56 -4.95 115.64 117.33 2d49 s THR 32 Ca 0.84 0.02 -0.03 0.00 -1.21 0.00 0.00 61.69 61.31 2d49 s THR 32 Cb -0.85 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 69.65 2d49 s THR 32 CO 0.45 0.01 0.71 1.67 -2.21 0.00 0.00 174.62 175.25 2d49 n GLN 33 N 3.15 -0.12 -1.48 7.08 -0.06 -1.26 -2.14 117.38 122.55 2d49 n GLN 33 Ca -0.15 -1.66 -0.44 0.00 -2.00 0.00 0.00 57.00 52.74 2d49 n GLN 33 Cb 0.57 -0.55 -0.09 0.00 -4.06 0.00 0.00 30.24 26.10 2d49 n GLN 33 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2d49 n ASN 34 N -3.10 1.50 -3.84 1.69 6.94 -1.26 -4.89 115.26 112.30 2d49 n ASN 34 Ca 0.11 0.09 -0.12 0.00 -0.02 0.00 0.00 54.58 54.63 2d49 n ASN 34 Cb 0.38 -1.22 -0.11 0.00 -2.36 0.00 0.00 39.78 36.47 2d49 n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2d49 s GLU 35 N 7.71 0.31 -0.18 -3.83 2.02 -1.26 -5.06 118.70 118.40 2d49 s GLU 35 Ca 1.16 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.84 2d49 s GLU 35 Cb -0.83 0.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.48 2d49 s GLU 35 CO 0.43 -0.06 2.05 1.03 0.02 0.00 0.00 175.26 178.74 2d49 s ARG 36 N -0.49 3.44 0.42 1.61 0.52 -1.26 -4.95 118.95 118.24 2d49 s ARG 36 Ca -0.06 2.04 -0.24 0.00 -0.52 0.00 0.00 55.73 56.95 2d49 s ARG 36 Cb -0.04 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.08 2d49 s ARG 36 CO 0.01 -1.75 1.18 -1.25 0.02 0.00 0.00 175.30 173.51 2d49 s PRO 37 N 5.69 3.93 0.00 3.54 0.04 -1.26 -3.27 135.00 143.67 2d49 s PRO 37 Ca 0.92 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2d49 s PRO 37 Cb -0.33 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2d49 s PRO 37 CO 0.36 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2d49 n GLY 38 N 0.57 2.86 0.08 0.56 0.00 -1.25 -4.76 105.19 103.26 2d49 n GLY 38 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 2d49 n GLY 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d49 n THR 39 N -0.09 1.00 -4.02 2.61 -1.04 -1.20 -4.92 114.28 106.61 2d49 n THR 39 Ca 0.00 -0.68 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 2d49 n THR 39 Cb 0.00 -0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.90 2d49 n THR 39 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2d49 s SER 40 N -5.51 5.85 0.59 8.00 0.01 -1.22 -4.99 113.70 116.44 2d49 s SER 40 Ca -0.05 0.15 0.39 0.00 1.31 0.00 0.00 55.95 57.76 2d49 s SER 40 Cb 0.09 -1.70 2.00 0.00 0.21 0.00 0.00 66.02 66.62 2d49 s SER 40 CO 0.83 0.22 2.19 0.44 0.41 0.00 0.00 173.24 177.33 2d49 h ASP 41 N 3.64 0.00 -0.56 2.44 3.32 -1.95 -2.23 116.42 121.08 2d49 h ASP 41 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 2d49 h ASP 41 Cb 1.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2d49 h ASP 41 CO 0.67 0.00 0.15 1.62 -1.72 0.00 0.00 179.24 179.96 2d49 h VAL 42 N 0.00 1.24 -3.55 -1.35 3.04 -1.96 -3.41 116.25 110.26 2d49 h VAL 42 Ca 0.00 -0.85 -0.64 0.00 -1.01 0.00 0.00 66.70 64.20 2d49 h VAL 42 Cb 0.15 0.61 -0.21 0.00 -2.01 0.00 0.00 31.29 29.84 2d49 h VAL 42 CO 0.00 0.32 -0.61 0.26 -1.01 0.00 0.00 177.57 176.53 2d49 s TRP 43 N -5.26 3.12 -0.08 3.17 0.52 -0.84 -2.57 118.94 117.00 2d49 s TRP 43 Ca -0.10 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.73 2d49 s TRP 43 Cb 0.15 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 2d49 s TRP 43 CO 0.81 -0.22 -0.08 0.00 0.02 0.00 0.00 176.95 177.48 2d49 s ALA 44 N 1.25 1.12 0.06 0.98 0.00 -1.03 -3.86 121.76 120.27 2d49 s ALA 44 Ca 0.05 -0.36 -0.34 0.00 0.00 0.00 0.00 51.96 51.31 2d49 s ALA 44 Cb -0.15 -0.66 -0.13 0.00 0.00 0.00 0.00 23.12 22.19 2d49 s ALA 44 CO 0.03 -0.12 1.73 -0.40 0.00 0.00 0.00 175.76 177.00 2d49 n ASP 45 N 4.32 3.33 -0.83 0.00 5.75 -1.26 -0.39 116.55 127.47 2d49 n ASP 45 Ca -0.19 1.03 0.09 0.00 -0.01 0.00 0.00 54.79 55.70 2d49 n ASP 45 Cb 0.51 -1.42 0.25 0.00 -1.03 0.00 0.00 41.12 39.43 2d49 n ASP 45 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d49 n LYS 46 N 4.97 2.83 -0.91 0.11 3.00 0.76 -4.84 118.16 124.07 2d49 n LYS 46 Ca 0.19 -2.78 0.00 0.00 -0.00 0.00 0.00 58.31 55.72 2d49 n LYS 46 Cb 0.30 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.53 2d49 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d49 n GLY 47 N -0.51 0.49 3.51 3.14 0.00 -1.24 -4.97 105.19 105.62 2d49 n GLY 47 Ca 0.20 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 2d49 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d49 s ALA 48 N -1.00 2.83 -0.16 4.61 0.00 -1.26 -2.41 121.76 124.37 2d49 s ALA 48 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2d49 s ALA 48 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d49 s ALA 48 CO 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 175.76 176.07 2d49 s GLY 50 N 0.33 0.48 0.40 0.00 0.00 -0.77 -4.73 107.32 103.02 2d49 s GLY 50 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.50 2d49 s GLY 50 CO 0.02 3.33 0.05 -0.51 0.00 0.00 0.00 173.10 175.99 2d49 s THR 51 N 8.05 1.24 -0.22 0.90 -4.23 -1.26 -4.82 115.64 115.30 2d49 s THR 51 Ca 0.72 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2d49 s THR 51 Cb -0.17 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2d49 s THR 51 CO 0.27 0.00 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.47 2d49 s GLY 52 N -3.65 1.61 0.00 3.99 0.00 -1.26 -5.21 107.32 102.80 2d49 s GLY 52 Ca 0.27 -1.18 0.22 0.00 0.00 0.00 0.00 44.72 44.03 2d49 s GLY 52 CO 0.13 0.43 1.71 1.44 0.00 0.00 0.00 173.10 176.82