#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t n GLN 6 N 0.00 0.49 -0.99 5.55 1.13 -1.26 -4.98 117.38 117.32 2k2t n GLN 6 Ca 0.00 -2.35 0.13 0.00 -1.94 0.00 0.00 57.00 52.85 2k2t n GLN 6 Cb 0.00 -0.29 -0.03 0.00 0.11 0.00 0.00 30.24 30.03 2k2t n GLN 6 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2k2t n LEU 7 N 0.00 0.00 0.00 1.08 4.32 -1.26 -3.49 117.00 117.65 2k2t n LEU 7 Ca 0.13 1.07 0.00 0.00 -0.02 0.00 0.00 56.01 57.19 2k2t n LEU 7 Cb 0.47 -3.00 0.00 0.00 -1.62 0.00 0.00 43.42 39.27 2k2t n LEU 7 CO 0.31 -2.27 0.14 -1.20 -1.22 0.00 0.00 177.39 173.15 2k2t n SER 8 N -3.59 0.57 0.00 -1.43 7.64 -1.26 -4.85 113.62 110.70 2k2t n SER 8 Ca 0.01 -0.79 -0.00 0.00 1.01 0.00 0.00 58.87 59.09 2k2t n SER 8 Cb 0.45 0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 64.01 2k2t n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k2t n GLU 9 N -0.36 0.01 -4.65 1.43 1.02 -1.26 -5.06 120.64 111.77 2k2t n GLU 9 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2k2t n GLU 9 Cb 0.01 -0.16 -0.17 0.00 -0.02 0.00 0.00 31.44 31.11 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k2t s THR 10 N -1.08 1.36 -0.44 2.62 -4.23 -1.26 -5.04 115.64 107.57 2k2t s THR 10 Ca -0.00 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2k2t s THR 10 Cb 0.00 -1.23 -0.17 0.00 1.34 0.00 0.00 72.50 72.44 2k2t s THR 10 CO 0.01 0.41 2.84 -0.81 -0.54 0.00 0.00 174.62 176.52 2k2t n PRO 11 N 3.88 2.05 0.00 3.99 -0.04 -1.23 -4.67 135.00 138.99 2k2t n PRO 11 Ca -0.21 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2k2t n PRO 11 Cb 0.52 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2k2t n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2t n ALA 12 N 3.04 0.00 0.05 0.55 0.00 -1.26 0.26 120.51 123.15 2k2t n ALA 12 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 2k2t n ALA 12 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2k2t n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t h ALA 13 N -0.18 0.57 -0.07 0.00 0.00 -1.90 -2.57 119.26 115.11 2k2t h ALA 13 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k2t h ALA 13 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k2t h ALA 13 CO 0.00 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2k2t h SER 15 N 1.13 0.00 -0.00 0.00 0.87 -1.22 -0.86 113.55 113.47 2k2t h SER 15 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2t h SER 15 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k2t h SER 15 CO 0.00 0.00 -0.01 -1.54 -0.53 0.00 0.00 176.83 174.75 2k2t n SER 16 N -2.35 1.41 -3.22 6.23 3.41 -1.25 -4.89 113.62 112.96 2k2t n SER 16 Ca 0.02 -1.44 -0.11 0.00 -0.26 0.00 0.00 58.87 57.08 2k2t n SER 16 Cb 0.25 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 2k2t n SER 16 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k2t n ASN 17 N 0.08 -6.96 0.03 4.04 4.13 -0.33 -4.95 115.26 111.29 2k2t n ASN 17 Ca 0.19 -0.50 -0.13 0.00 1.68 0.00 0.00 54.58 55.82 2k2t n ASN 17 Cb 0.34 -5.06 -0.09 0.00 -1.54 0.00 0.00 39.78 33.43 2k2t n ASN 17 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k2t h PRO 18 N -0.55 -0.04 -0.23 3.52 0.11 -1.86 -2.58 132.00 130.38 2k2t h PRO 18 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2k2t h PRO 18 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2t h PRO 18 CO 0.39 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 2k2t n GLY 20 N 0.98 2.07 3.89 0.00 0.00 -0.98 -4.23 105.19 106.92 2k2t n GLY 20 Ca 0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2k2t n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2t s PRO 21 N 0.00 3.22 0.51 1.61 0.05 -1.26 -4.83 135.00 134.29 2k2t s PRO 21 Ca 0.00 0.35 0.34 0.00 0.05 0.00 0.00 61.00 61.74 2k2t s PRO 21 Cb 0.00 -2.18 1.50 0.00 0.05 0.00 0.00 34.50 33.87 2k2t s PRO 21 CO 0.00 -0.64 2.00 0.93 0.05 0.00 0.00 177.00 179.34 2k2t h GLU 22 N -0.25 0.00 0.00 4.56 5.08 -1.88 -1.46 114.58 120.63 2k2t h GLU 22 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k2t h GLU 22 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k2t h GLU 22 CO 0.62 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 178.42 2k2t h ALA 23 N 2.05 0.87 0.03 3.43 0.00 -1.94 -3.37 119.26 120.33 2k2t h ALA 23 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2t h ALA 23 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2t h ALA 23 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 2k2t h ALA 24 N 2.34 -0.04 -2.89 0.00 0.00 -1.53 -3.45 119.26 113.70 2k2t h ALA 24 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2k2t h ALA 24 Cb 0.83 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 2k2t h ALA 24 CO 0.00 -0.04 0.26 0.20 0.00 0.00 0.00 179.25 179.68 2k2t s GLY 25 N -3.39 -0.38 0.07 0.00 0.00 -1.23 -0.99 107.32 101.40 2k2t s GLY 25 Ca -0.01 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.65 2k2t s GLY 25 CO 0.02 0.07 0.83 -1.59 0.00 0.00 0.00 173.10 172.42 2k2t s THR 26 N -3.72 4.65 -0.19 0.90 2.01 0.73 -4.73 115.64 115.29 2k2t s THR 26 Ca 0.06 1.77 -0.00 0.00 0.31 0.00 0.00 61.69 63.82 2k2t s THR 26 Cb -0.03 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2k2t s THR 26 CO -0.04 0.35 -0.15 0.00 -0.69 0.00 0.00 174.62 174.10 2k2t s LYS 28 N 1.34 3.11 -0.03 0.00 2.47 -0.93 -1.26 119.74 124.45 2k2t s LYS 28 Ca 0.05 -0.82 -0.30 0.00 -1.56 0.00 0.00 55.97 53.34 2k2t s LYS 28 Cb -0.14 -2.49 -0.05 0.00 -1.46 0.00 0.00 37.83 33.70 2k2t s LYS 28 CO -0.10 0.04 1.42 -1.21 0.16 0.00 0.00 175.35 175.66 2k2t s GLU 29 N 0.71 4.26 0.26 4.03 8.01 -1.26 -0.47 118.70 134.24 2k2t s GLU 29 Ca -0.09 1.96 0.01 0.00 0.01 0.00 0.00 54.97 56.86 2k2t s GLU 29 Cb -0.16 -3.66 0.01 0.00 -4.31 0.00 0.00 34.13 26.02 2k2t s GLU 29 CO 0.01 -0.63 0.09 0.25 0.01 0.00 0.00 175.26 174.99 2k2t n THR 30 N 4.87 0.00 0.14 3.63 -2.24 0.11 -4.91 114.28 115.88 2k2t n THR 30 Ca 0.14 -1.12 0.01 0.00 -2.27 0.00 0.00 64.05 60.81 2k2t n THR 30 Cb 0.44 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.75 2k2t n THR 30 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2k2t h ASN 31 N 0.47 0.00 0.98 3.42 -0.26 -1.98 -2.93 115.58 115.28 2k2t h ASN 31 Ca -0.19 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.46 2k2t h ASN 31 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 2k2t h ASN 31 CO 0.31 0.57 -0.41 0.28 -1.06 0.00 0.00 177.43 177.12 2k2t h SER 32 N 0.00 0.00 0.00 5.81 0.02 -1.99 -3.48 113.55 113.91 2k2t h SER 32 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k2t h SER 32 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2k2t h SER 32 CO 0.07 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 2k2t n GLY 33 N 0.45 0.22 3.46 -3.77 0.00 -1.11 -5.11 105.19 99.34 2k2t n GLY 33 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2k2t n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2t s TYR 34 N 0.00 -0.11 0.10 1.61 -0.85 -1.26 -0.71 117.35 116.12 2k2t s TYR 34 Ca 0.00 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.39 2k2t s TYR 34 Cb 0.00 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 2k2t s TYR 34 CO 0.00 -0.86 -0.16 0.96 -1.52 0.00 0.00 175.55 173.97 2k2t s ILE 35 N -3.86 1.36 -0.18 -3.49 -4.36 0.38 -4.79 121.20 106.26 2k2t s ILE 35 Ca 0.08 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2k2t s ILE 35 Cb -0.00 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.38 2k2t s ILE 35 CO -0.05 -0.24 -0.17 0.00 0.24 0.00 0.00 174.94 174.72 2k2t s ARG 37 N 1.32 2.35 0.26 0.00 3.52 0.72 -4.93 118.95 122.19 2k2t s ARG 37 Ca 0.03 -1.75 -0.30 0.00 -0.13 0.00 0.00 55.73 53.59 2k2t s ARG 37 Cb -0.14 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.36 2k2t s ARG 37 CO -0.12 -1.13 1.06 0.00 -0.81 0.00 0.00 175.30 174.31 2k2t s ASN 39 N -0.88 3.87 -0.11 0.00 0.01 -0.16 -4.88 114.94 112.78 2k2t s ASN 39 Ca 0.44 0.14 -0.34 0.00 -0.71 0.00 0.00 52.86 52.39 2k2t s ASN 39 Cb -0.30 -0.42 -0.12 0.00 0.41 0.00 0.00 41.25 40.82 2k2t s ASN 39 CO 0.38 -2.22 1.90 1.67 -1.51 0.00 0.00 177.10 177.33 2k2t n GLN 40 N -3.31 2.09 0.00 -0.60 7.27 -1.26 -1.03 117.38 120.54 2k2t n GLN 40 Ca 0.13 0.76 0.00 0.00 0.07 0.00 0.00 57.00 57.96 2k2t n GLN 40 Cb 0.60 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.62 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2t n GLY 41 N 4.54 0.71 3.35 1.69 0.00 -1.25 -4.64 105.19 109.59 2k2t n GLY 41 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2k2t n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2t s TYR 42 N -2.00 1.68 0.04 1.61 2.02 -0.19 -0.27 117.35 120.24 2k2t s TYR 42 Ca 0.00 -0.69 -0.08 0.00 -0.37 0.00 0.00 57.07 55.93 2k2t s TYR 42 Cb 0.00 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 2k2t s TYR 42 CO 0.00 0.23 0.17 -0.98 -1.57 0.00 0.00 175.55 173.40 2k2t s ARG 43 N -3.72 0.66 0.10 -0.62 1.70 0.05 -4.67 118.95 112.45 2k2t s ARG 43 Ca 0.24 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 2k2t s ARG 43 Cb 0.02 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 2k2t s ARG 43 CO 0.08 -0.18 1.02 0.42 -1.08 0.00 0.00 175.30 175.56 2k2t s ILE 44 N -2.49 4.37 0.02 4.99 -1.09 -1.26 -0.79 121.20 124.95 2k2t s ILE 44 Ca -0.06 1.90 -0.00 0.00 -2.23 0.00 0.00 60.65 60.26 2k2t s ILE 44 Cb -0.02 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 2k2t s ILE 44 CO -0.04 0.26 -0.03 -0.55 -1.23 0.00 0.00 174.94 173.35 2k2t s SER 45 N 0.29 0.27 -0.01 3.58 0.15 -0.28 -4.92 113.70 112.78 2k2t s SER 45 Ca 0.50 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 2k2t s SER 45 Cb -0.25 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2k2t s SER 45 CO 0.31 -0.34 0.11 -0.76 1.20 0.00 0.00 173.24 173.76 2k2t s LEU 46 N -1.66 4.06 0.00 3.45 1.43 -1.26 -1.00 118.68 123.70 2k2t s LEU 46 Ca -0.13 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2k2t s LEU 46 Cb -0.08 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2k2t s LEU 46 CO -0.02 0.28 0.00 -0.90 0.23 0.00 0.00 176.35 175.93 2k2t n ASP 47 N 1.15 0.00 0.22 2.29 5.75 -1.20 -4.87 116.55 119.89 2k2t n ASP 47 Ca -0.13 -0.02 0.07 0.00 -0.01 0.00 0.00 54.79 54.70 2k2t n ASP 47 Cb 0.53 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.14 2k2t n ASP 47 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2k2t h GLY 48 N 0.00 0.00 0.91 6.12 0.00 -2.00 -3.15 103.07 104.96 2k2t h GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k2t h GLY 48 CO 0.00 0.00 -1.76 -1.30 0.00 0.00 0.00 176.54 173.48 2k2t n THR 49 N -3.99 1.60 0.00 4.70 -2.24 -1.26 -4.97 114.28 108.13 2k2t n THR 49 Ca -0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2k2t n THR 49 Cb 0.31 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 2k2t n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2t n GLY 50 N 1.58 1.55 3.77 3.38 0.00 -1.19 -5.10 105.19 109.17 2k2t n GLY 50 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2k2t n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k2t s ASN 51 N -2.00 7.10 -0.44 1.61 0.01 -1.26 -4.80 114.94 115.16 2k2t s ASN 51 Ca 0.00 2.19 -0.29 0.00 -0.71 0.00 0.00 52.86 54.05 2k2t s ASN 51 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2k2t s ASN 51 CO 0.00 -0.25 1.22 -0.69 -1.51 0.00 0.00 177.10 175.87 2k2t s VAL 52 N -1.32 4.14 0.35 1.60 1.01 -1.26 -3.25 120.40 121.66 2k2t s VAL 52 Ca 0.49 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.70 2k2t s VAL 52 Cb -0.29 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 2k2t s VAL 52 CO 0.36 -0.87 0.04 0.42 0.00 0.00 0.00 175.10 175.05 2k2t s THR 53 N 4.68 1.51 -0.09 3.92 -4.23 -0.17 -4.54 115.64 116.71 2k2t s THR 53 Ca 0.52 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2k2t s THR 53 Cb -0.10 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2k2t s THR 53 CO 0.30 -0.01 -0.22 0.00 -0.54 0.00 0.00 174.62 174.16 2k2t s ILE 55 N 0.41 1.47 0.01 0.00 -4.36 0.03 -4.52 121.20 114.25 2k2t s ILE 55 Ca -0.18 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 57.96 2k2t s ILE 55 Cb -0.18 -1.77 -0.06 0.00 1.25 0.00 0.00 42.46 41.70 2k2t s ILE 55 CO 0.08 -0.52 1.54 0.54 0.24 0.00 0.00 174.94 176.82 2k2t s VAL 56 N -2.58 3.46 0.13 8.37 0.11 -1.26 -0.77 120.40 127.85 2k2t s VAL 56 Ca 0.15 0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 59.82 2k2t s VAL 56 Cb -0.02 -3.52 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 2k2t s VAL 56 CO 0.04 -0.02 0.61 -0.60 -3.33 0.00 0.00 175.10 171.80 2k2t s ARG 57 N 2.87 4.18 0.00 1.54 3.52 0.63 -4.81 118.95 126.88 2k2t s ARG 57 Ca 0.69 0.73 0.12 0.00 -0.13 0.00 0.00 55.73 57.14 2k2t s ARG 57 Cb -0.34 -3.10 0.71 0.00 -1.56 0.00 0.00 34.95 30.66 2k2t s ARG 57 CO 0.29 0.55 1.20 0.00 -0.81 0.00 0.00 175.30 176.52 2k2t n GLN 58 N 1.29 0.62 -4.23 5.12 10.64 -1.26 -4.55 117.38 125.02 2k2t n GLN 58 Ca -0.07 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.83 2k2t n GLN 58 Cb 0.51 -1.30 -0.17 0.00 -0.86 0.00 0.00 30.24 28.42 2k2t n GLN 58 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2k2t s GLU 59 N -2.00 1.87 -1.50 2.61 2.56 -1.26 -5.04 118.70 115.94 2k2t s GLU 59 Ca 0.18 -0.42 -0.13 0.00 0.00 0.00 0.00 54.97 54.60 2k2t s GLU 59 Cb 0.08 -1.70 -0.02 0.00 2.00 0.00 0.00 34.13 34.49 2k2t s GLU 59 CO 0.14 -0.14 2.50 -1.13 -0.56 0.00 0.00 175.26 176.08 2k2t n SER 60 N 4.45 5.75 0.00 -1.70 3.41 -1.26 -3.85 113.62 120.41 2k2t n SER 60 Ca -0.17 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 2k2t n SER 60 Cb 0.51 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49