#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t h GLN 6 N 0.00 0.43 -6.74 1.45 5.75 -1.92 -3.46 115.11 110.61 2k2t h GLN 6 Ca 0.00 -0.73 -0.50 0.00 -0.15 0.00 0.00 58.65 57.27 2k2t h GLN 6 Cb 0.00 0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2k2t h GLN 6 CO 0.00 1.34 0.04 -0.51 -2.65 0.00 0.00 178.83 177.05 2k2t s LEU 7 N -7.37 3.88 -0.00 -2.39 1.43 -1.26 -5.01 118.68 107.95 2k2t s LEU 7 Ca -0.09 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2k2t s LEU 7 Cb 0.05 -3.86 -0.25 0.00 0.03 0.00 0.00 46.19 42.16 2k2t s LEU 7 CO 0.91 -0.35 0.83 -1.28 0.23 0.00 0.00 176.35 176.68 2k2t h SER 8 N 1.30 0.23 0.00 2.29 0.87 -2.00 -3.40 113.55 112.84 2k2t h SER 8 Ca -0.47 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2k2t h SER 8 Cb 1.19 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2k2t h SER 8 CO 0.64 1.29 0.00 1.21 -0.53 0.00 0.00 176.83 179.45 2k2t n GLU 9 N -3.33 0.00 -4.89 2.24 2.13 -1.26 -4.99 120.64 110.54 2k2t n GLU 9 Ca -0.15 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.39 2k2t n GLU 9 Cb 1.03 -0.17 -0.17 0.00 0.27 0.00 0.00 31.44 32.40 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k2t s THR 10 N -0.03 1.63 0.00 6.31 -4.23 -1.26 -5.13 115.64 112.93 2k2t s THR 10 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2k2t s THR 10 Cb 0.00 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2k2t s THR 10 CO 0.00 0.47 0.00 -0.81 -0.54 0.00 0.00 174.62 173.74 2k2t n PRO 11 N 3.70 0.60 -0.03 3.99 -0.04 -1.26 -4.74 135.00 137.22 2k2t n PRO 11 Ca -0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.22 2k2t n PRO 11 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 -3.00 0.91 -0.03 0.55 0.00 -1.26 -4.18 120.51 113.49 2k2t n ALA 12 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 2k2t n ALA 12 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.24 0.08 0.00 0.00 0.00 -1.98 -3.06 119.26 113.06 2k2t h ALA 13 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k2t h ALA 13 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k2t h ALA 13 CO 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 2k2t h SER 15 N 0.00 0.00 0.07 0.00 0.87 -1.70 -1.39 113.55 111.40 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 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k2t h SER 15 CO 0.01 0.32 -0.01 -0.24 -0.53 0.00 0.00 176.83 176.38 2k2t n SER 16 N -3.88 0.38 -2.83 6.23 2.88 -0.58 -4.95 113.62 110.88 2k2t n SER 16 Ca -0.02 -1.01 -0.02 0.00 -1.33 0.00 0.00 58.87 56.49 2k2t n SER 16 Cb 0.39 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2k2t n SER 16 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k2t n ASN 17 N -0.75 -7.19 0.06 -3.46 5.03 -0.52 -5.00 115.26 103.42 2k2t n ASN 17 Ca 0.21 0.10 -0.03 0.00 0.87 0.00 0.00 54.58 55.73 2k2t n ASN 17 Cb 0.19 -4.85 -0.02 0.00 -1.02 0.00 0.00 39.78 34.09 2k2t n ASN 17 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2k2t h PRO 18 N 0.82 -0.20 -0.98 3.52 0.11 -1.76 -3.30 132.00 130.21 2k2t h PRO 18 Ca 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 2k2t h PRO 18 Cb 0.97 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2k2t h PRO 18 CO 0.24 -0.14 0.10 0.00 -0.21 0.00 0.00 178.00 177.99 2k2t n GLY 20 N 0.15 2.86 3.84 0.00 0.00 -1.24 -3.92 105.19 106.88 2k2t n GLY 20 Ca 0.11 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 3.63 0.11 1.61 0.04 -1.26 -4.82 135.00 134.31 2k2t s PRO 21 Ca 0.00 0.93 0.17 0.00 0.04 0.00 0.00 61.00 62.14 2k2t s PRO 21 Cb 0.00 -2.09 0.72 0.00 0.04 0.00 0.00 34.50 33.18 2k2t s PRO 21 CO 0.00 -0.54 1.52 -1.91 0.04 0.00 0.00 177.00 176.11 2k2t n GLU 22 N -2.18 0.08 0.05 4.56 2.13 -1.26 -1.30 120.64 122.72 2k2t n GLU 22 Ca 0.07 0.36 0.12 0.00 0.66 0.00 0.00 57.16 58.37 2k2t n GLU 22 Cb 0.54 -1.66 0.14 0.00 0.27 0.00 0.00 31.44 30.73 2k2t n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2t n ALA 23 N -1.61 3.07 0.09 4.31 0.00 -1.26 -4.09 120.51 121.02 2k2t n ALA 23 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2k2t n ALA 23 Cb 0.17 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 2k2t n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t h ALA 24 N 2.55 0.18 -1.28 0.00 0.00 -1.46 -3.46 119.26 115.80 2k2t h ALA 24 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 54.91 54.17 2k2t h ALA 24 Cb 0.72 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k2t h ALA 24 CO 0.00 0.87 0.16 0.41 0.00 0.00 0.00 179.25 180.70 2k2t n GLY 25 N 1.31 0.49 3.77 0.00 0.00 -1.24 -1.17 105.19 108.34 2k2t n GLY 25 Ca -0.09 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 2k2t n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k2t s THR 26 N -2.09 5.09 -0.33 2.61 2.01 0.17 -4.69 115.64 118.41 2k2t s THR 26 Ca 0.05 0.94 -0.09 0.00 0.31 0.00 0.00 61.69 62.90 2k2t s THR 26 Cb -0.00 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.74 2k2t s THR 26 CO -0.00 0.43 0.15 0.00 -0.69 0.00 0.00 174.62 174.50 2k2t s LYS 28 N 1.53 2.24 -0.19 0.00 2.47 -0.62 -3.20 119.74 121.97 2k2t s LYS 28 Ca 0.02 -1.42 -0.29 0.00 -1.56 0.00 0.00 55.97 52.72 2k2t s LYS 28 Cb -0.18 -3.18 -0.01 0.00 -1.46 0.00 0.00 37.83 32.99 2k2t s LYS 28 CO 0.05 -0.70 1.32 -1.21 0.16 0.00 0.00 175.35 174.97 2k2t s GLU 29 N 1.17 4.14 0.29 4.03 2.02 -1.26 0.33 118.70 129.42 2k2t s GLU 29 Ca -0.03 1.62 0.03 0.00 0.02 0.00 0.00 54.97 56.61 2k2t s GLU 29 Cb -0.20 -3.82 0.03 0.00 0.10 0.00 0.00 34.13 30.23 2k2t s GLU 29 CO -0.03 -0.83 0.21 0.25 0.02 0.00 0.00 175.26 174.88 2k2t n THR 30 N 5.61 0.00 0.38 3.63 -2.24 -0.26 -4.88 114.28 116.52 2k2t n THR 30 Ca 0.15 -1.15 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2k2t n THR 30 Cb 0.45 -0.25 0.41 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.35 0.00 0.05 3.42 2.35 -1.97 -1.85 115.58 117.93 2k2t h ASN 31 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2k2t h ASN 31 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2k2t h ASN 31 CO 0.29 0.00 -0.05 -0.24 -1.65 0.00 0.00 177.43 175.78 2k2t n SER 32 N -2.71 1.23 0.00 5.81 2.88 -1.26 -4.99 113.62 114.58 2k2t n SER 32 Ca 0.03 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 2k2t n SER 32 Cb 0.40 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2k2t n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k2t n GLY 33 N 1.20 2.25 3.39 0.46 0.00 -0.70 -5.02 105.19 106.77 2k2t n GLY 33 Ca 0.18 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.42 0.10 1.61 -0.85 -1.26 -1.10 117.35 115.43 2k2t s TYR 34 Ca 0.00 0.48 0.09 0.00 -0.52 0.00 0.00 57.07 57.12 2k2t s TYR 34 Cb 0.00 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 2k2t s TYR 34 CO 0.00 -0.63 -0.24 0.96 -1.52 0.00 0.00 175.55 174.12 2k2t s ILE 35 N -2.37 1.95 -0.15 -3.49 -4.36 0.15 -4.76 121.20 108.17 2k2t s ILE 35 Ca -0.06 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2k2t s ILE 35 Cb -0.01 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 41.98 2k2t s ILE 35 CO -0.01 0.06 -0.20 0.00 0.24 0.00 0.00 174.94 175.03 2k2t s ARG 37 N 1.03 1.82 0.56 0.00 3.52 -0.44 -4.97 118.95 120.48 2k2t s ARG 37 Ca -0.02 -1.81 -0.16 0.00 -0.13 0.00 0.00 55.73 53.62 2k2t s ARG 37 Cb -0.14 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2k2t s ARG 37 CO -0.06 -0.99 1.02 0.00 -0.81 0.00 0.00 175.30 174.46 2k2t n ASN 39 N -1.90 -0.10 -0.22 0.00 3.02 -0.32 -4.87 115.26 110.86 2k2t n ASN 39 Ca 0.07 -1.44 -0.06 0.00 -0.03 0.00 0.00 54.58 53.12 2k2t n ASN 39 Cb 0.53 -1.00 0.09 0.00 -0.61 0.00 0.00 39.78 38.79 2k2t n ASN 39 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2k2t h GLN 40 N 0.00 1.06 -0.01 3.52 5.75 -1.66 -1.34 115.11 122.43 2k2t h GLN 40 Ca -0.42 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 2k2t h GLN 40 Cb 1.17 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.58 2k2t h GLN 40 CO 0.30 0.94 0.00 0.41 -2.65 0.00 0.00 178.83 177.82 2k2t n GLY 41 N -0.71 -0.96 3.32 2.39 0.00 0.13 -4.82 105.19 104.54 2k2t n GLY 41 Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.99 1.57 0.10 1.61 2.02 -0.51 -0.37 117.35 119.78 2k2t s TYR 42 Ca 0.16 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2k2t s TYR 42 Cb 0.07 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 2k2t s TYR 42 CO 0.12 0.20 0.09 -0.98 -1.57 0.00 0.00 175.55 173.41 2k2t s ARG 43 N -3.72 0.84 -0.07 -0.62 1.70 0.14 -4.51 118.95 112.71 2k2t s ARG 43 Ca 0.22 -1.22 -0.25 0.00 -0.47 0.00 0.00 55.73 54.01 2k2t s ARG 43 Cb 0.02 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2k2t s ARG 43 CO 0.06 -0.24 0.78 0.42 -1.08 0.00 0.00 175.30 175.24 2k2t s ILE 44 N -3.95 4.98 0.07 4.99 -1.09 -1.26 -0.91 121.20 124.03 2k2t s ILE 44 Ca 0.13 1.60 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 2k2t s ILE 44 Cb 0.06 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2k2t s ILE 44 CO -0.05 0.20 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.21 2k2t s SER 45 N 0.90 1.22 -0.07 3.58 0.15 0.19 -4.93 113.70 114.74 2k2t s SER 45 Ca 0.41 -0.66 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 2k2t s SER 45 Cb -0.18 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2k2t s SER 45 CO 0.19 -0.21 0.12 -0.76 1.20 0.00 0.00 173.24 173.79 2k2t s LEU 46 N -1.93 4.18 0.58 3.45 1.43 -1.26 0.16 118.68 125.29 2k2t s LEU 46 Ca -0.03 0.33 0.35 0.00 -1.03 0.00 0.00 54.13 53.75 2k2t s LEU 46 Cb -0.07 -2.21 1.78 0.00 0.03 0.00 0.00 46.19 45.72 2k2t s LEU 46 CO 0.00 0.34 2.16 -2.24 0.23 0.00 0.00 176.35 176.85 2k2t h ASP 47 N 4.55 0.00 0.00 2.29 2.03 -1.76 -3.45 116.42 120.07 2k2t h ASP 47 Ca -0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2k2t h ASP 47 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2k2t h ASP 47 CO 0.61 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.47 2k2t n GLY 48 N -0.67 1.38 0.04 7.15 0.00 -1.26 -4.90 105.19 106.94 2k2t n GLY 48 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k2t n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k2t n THR 49 N 0.00 0.51 0.00 2.61 -2.24 -1.26 -5.00 114.28 108.90 2k2t n THR 49 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2k2t n THR 49 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.94 0.50 3.73 3.38 0.00 -1.26 -5.12 105.19 108.36 2k2t n GLY 50 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.85 7.18 -0.47 1.61 0.01 -1.26 -4.86 114.94 116.30 2k2t s ASN 51 Ca 0.00 2.11 -0.29 0.00 -0.71 0.00 0.00 52.86 53.97 2k2t s ASN 51 Cb 0.00 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.09 2k2t s ASN 51 CO 0.00 -0.31 1.15 -0.69 -1.51 0.00 0.00 177.10 175.74 2k2t s VAL 52 N 0.05 4.20 0.41 1.60 1.01 -1.26 -2.15 120.40 124.25 2k2t s VAL 52 Ca 0.52 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.78 2k2t s VAL 52 Cb -0.30 -4.58 -0.07 0.00 0.00 0.00 0.00 36.38 31.43 2k2t s VAL 52 CO 0.34 -0.98 0.02 0.42 0.00 0.00 0.00 175.10 174.90 2k2t s THR 53 N 4.49 1.75 -0.07 3.92 -4.23 0.12 -3.95 115.64 117.68 2k2t s THR 53 Ca 0.49 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2k2t s THR 53 Cb -0.08 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.91 2k2t s THR 53 CO 0.31 0.00 -0.15 0.00 -0.54 0.00 0.00 174.62 174.24 2k2t s ILE 55 N 0.52 0.77 0.12 0.00 -4.36 -0.09 -4.46 121.20 113.71 2k2t s ILE 55 Ca -0.14 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 57.94 2k2t s ILE 55 Cb -0.16 -2.24 -0.09 0.00 1.25 0.00 0.00 42.46 41.22 2k2t s ILE 55 CO 0.05 -0.38 1.58 0.54 0.24 0.00 0.00 174.94 176.97 2k2t s VAL 56 N -3.60 2.88 -0.02 8.37 0.11 -1.26 0.27 120.40 127.15 2k2t s VAL 56 Ca 0.27 0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 2k2t s VAL 56 Cb 0.06 -3.34 -0.33 0.00 -1.53 0.00 0.00 36.38 31.25 2k2t s VAL 56 CO 0.06 0.02 0.82 -0.09 -3.33 0.00 0.00 175.10 172.59 2k2t h ARG 57 N 7.46 0.44 0.00 1.54 2.43 -0.96 -3.43 114.38 121.86 2k2t h ARG 57 Ca -0.42 -0.75 0.00 0.00 -0.81 0.00 0.00 59.98 58.00 2k2t h ARG 57 Cb 1.20 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 2k2t h ARG 57 CO 0.92 1.36 0.00 0.94 -1.51 0.00 0.00 179.97 181.67 2k2t n GLN 58 N -3.73 0.00 -4.06 0.20 7.27 -1.23 -5.00 117.38 110.83 2k2t n GLN 58 Ca -0.20 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.60 2k2t n GLN 58 Cb 1.05 0.00 -0.17 0.00 2.41 0.00 0.00 30.24 33.53 2k2t n GLN 58 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k2t s GLU 59 N -0.73 1.66 -0.13 3.69 0.41 -1.26 -5.09 118.70 117.26 2k2t s GLU 59 Ca 0.00 -0.32 -0.32 0.00 -0.41 0.00 0.00 54.97 53.92 2k2t s GLU 59 Cb 0.00 -1.62 -0.09 0.00 -1.78 0.00 0.00 34.13 30.64 2k2t s GLU 59 CO 0.00 -0.20 2.04 0.43 -0.49 0.00 0.00 175.26 177.03 2k2t n SER 60 N 4.70 3.39 0.00 -0.19 7.64 -1.26 -3.96 113.62 123.93 2k2t n SER 60 Ca -0.15 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2k2t n SER 60 Cb 0.50 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64