#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t s GLN 6 N 0.00 1.76 0.28 5.55 -0.21 -1.26 -5.03 119.66 120.75 2k2t s GLN 6 Ca 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 55.36 53.35 2k2t s GLN 6 Cb 0.00 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.28 2k2t s GLN 6 CO 0.00 -0.64 0.00 1.28 -2.12 0.00 0.00 175.29 173.81 2k2t n LEU 7 N -0.64 -0.50 -1.44 2.90 4.77 -1.26 -3.40 117.00 117.44 2k2t n LEU 7 Ca 0.07 1.14 -0.10 0.00 -0.03 0.00 0.00 56.01 57.10 2k2t n LEU 7 Cb 0.62 -2.27 0.19 0.00 -2.33 0.00 0.00 43.42 39.64 2k2t n LEU 7 CO 0.32 -1.49 0.83 -1.20 -1.33 0.00 0.00 177.39 174.52 2k2t n SER 8 N -3.42 2.82 0.00 -1.43 7.64 -1.26 -4.71 113.62 113.26 2k2t n SER 8 Ca -0.03 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.09 2k2t n SER 8 Cb 0.36 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2k2t n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k2t n GLU 9 N -1.13 0.00 -4.03 1.43 4.07 -1.26 -5.13 120.64 114.59 2k2t n GLU 9 Ca 0.40 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.38 2k2t n GLU 9 Cb 1.18 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 32.44 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k2t s THR 10 N -0.36 0.33 -0.96 6.31 -4.23 -1.26 -5.03 115.64 110.44 2k2t s THR 10 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2k2t s THR 10 Cb 0.00 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2k2t s THR 10 CO 0.00 -0.28 0.30 -0.81 -0.54 0.00 0.00 174.62 173.29 2k2t n PRO 11 N 1.97 0.58 0.00 3.99 -0.04 -1.22 -4.65 135.00 135.63 2k2t n PRO 11 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k2t n PRO 11 Cb 0.56 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.23 0.00 0.23 0.55 0.00 -1.26 -0.56 120.51 119.70 2k2t n ALA 12 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2k2t n ALA 12 Cb 0.15 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.44 1.42 -0.02 0.00 0.00 -1.90 -0.80 119.26 117.53 2k2t h ALA 13 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k2t h ALA 13 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k2t h ALA 13 CO 0.00 0.25 -0.23 0.00 0.00 0.00 0.00 179.25 179.27 2k2t n SER 15 N 0.19 0.00 -0.61 0.00 2.88 -0.30 -1.18 113.62 114.59 2k2t n SER 15 Ca 0.13 0.46 0.10 0.00 -1.33 0.00 0.00 58.87 58.23 2k2t n SER 15 Cb 0.45 -0.48 0.34 0.00 -0.75 0.00 0.00 64.21 63.78 2k2t n SER 15 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k2t n SER 16 N -1.48 1.82 -3.50 -3.46 7.64 -1.26 -4.95 113.62 108.43 2k2t n SER 16 Ca 0.04 -1.75 -0.25 0.00 1.01 0.00 0.00 58.87 57.92 2k2t n SER 16 Cb 0.18 -0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2k2t n SER 16 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k2t n ASN 17 N 0.43 -5.88 0.05 6.43 4.13 -0.33 -4.95 115.26 115.14 2k2t n ASN 17 Ca 0.16 -0.89 -0.12 0.00 1.68 0.00 0.00 54.58 55.41 2k2t n ASN 17 Cb 0.35 -4.15 -0.09 0.00 -1.54 0.00 0.00 39.78 34.35 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 -1.56 -0.17 -0.00 3.52 0.11 -1.87 -3.15 132.00 128.89 2k2t h PRO 18 Ca -0.64 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.48 2k2t h PRO 18 Cb 1.34 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2k2t h PRO 18 CO 0.46 0.26 -0.08 0.00 -0.21 0.00 0.00 178.00 178.43 2k2t n GLY 20 N 1.38 0.31 3.97 0.00 0.00 -1.19 -3.76 105.19 105.88 2k2t n GLY 20 Ca 0.11 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 1.73 0.21 1.61 0.05 -1.26 -4.84 135.00 132.50 2k2t s PRO 21 Ca 0.00 -0.76 -0.09 0.00 0.05 0.00 0.00 61.00 60.20 2k2t s PRO 21 Cb 0.00 -2.23 0.29 0.00 0.05 0.00 0.00 34.50 32.61 2k2t s PRO 21 CO 0.00 -1.47 1.73 1.49 0.05 0.00 0.00 177.00 178.80 2k2t h GLU 22 N -0.65 0.35 0.00 4.56 4.57 -1.93 -1.10 114.58 120.37 2k2t h GLU 22 Ca -0.40 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 2k2t h GLU 22 Cb 1.28 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2k2t h GLU 22 CO 0.46 0.23 -0.04 0.00 -1.18 0.00 0.00 179.01 178.47 2k2t h ALA 23 N 1.44 1.34 0.00 2.92 0.00 -1.97 -3.25 119.26 119.74 2k2t h ALA 23 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k2t h ALA 23 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2t h ALA 23 CO -0.34 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 178.84 2k2t h ALA 24 N 1.96 0.00 -1.91 0.00 0.00 -1.51 -3.44 119.26 114.36 2k2t h ALA 24 Ca -0.00 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.81 2k2t h ALA 24 Cb 0.14 0.12 -0.19 0.00 0.00 0.00 0.00 17.79 17.87 2k2t h ALA 24 CO 0.01 0.12 0.54 0.20 0.00 0.00 0.00 179.25 180.12 2k2t s GLY 25 N -2.99 -0.37 0.10 0.00 0.00 -1.00 -0.98 107.32 102.08 2k2t s GLY 25 Ca -0.04 1.48 -0.16 0.00 0.00 0.00 0.00 44.72 46.00 2k2t s GLY 25 CO 0.05 0.64 0.54 -1.59 0.00 0.00 0.00 173.10 172.74 2k2t s THR 26 N -2.24 4.84 -0.20 0.90 2.01 0.67 -4.59 115.64 117.02 2k2t s THR 26 Ca 0.03 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 62.90 2k2t s THR 26 Cb -0.01 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2k2t s THR 26 CO -0.04 0.40 0.13 0.00 -0.69 0.00 0.00 174.62 174.41 2k2t s LYS 28 N 0.49 2.11 -0.07 0.00 2.47 0.38 -2.46 119.74 122.66 2k2t s LYS 28 Ca 0.07 -1.50 -0.30 0.00 -1.56 0.00 0.00 55.97 52.69 2k2t s LYS 28 Cb -0.12 -3.14 -0.05 0.00 -1.46 0.00 0.00 37.83 33.06 2k2t s LYS 28 CO -0.01 -0.73 1.64 -1.21 0.16 0.00 0.00 175.35 175.21 2k2t s GLU 29 N 1.11 4.14 0.20 4.03 8.01 -1.26 -0.16 118.70 134.78 2k2t s GLU 29 Ca -0.01 2.12 0.03 0.00 0.01 0.00 0.00 54.97 57.12 2k2t s GLU 29 Cb -0.20 -3.99 0.03 0.00 -4.31 0.00 0.00 34.13 25.66 2k2t s GLU 29 CO -0.04 -0.89 0.25 0.25 0.01 0.00 0.00 175.26 174.84 2k2t n THR 30 N 5.57 0.00 -0.03 3.63 -2.24 0.34 -4.90 114.28 116.64 2k2t n THR 30 Ca 0.17 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2k2t n THR 30 Cb 0.43 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 2k2t n THR 30 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2k2t h ASN 31 N 0.08 0.79 0.99 3.42 -0.73 -1.99 -3.25 115.58 114.89 2k2t h ASN 31 Ca -0.10 -0.43 -0.19 0.00 1.87 0.00 0.00 56.30 57.45 2k2t h ASN 31 Cb 0.44 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 2k2t h ASN 31 CO 0.15 1.19 -1.07 0.28 -0.37 0.00 0.00 177.43 177.61 2k2t h SER 32 N 0.54 0.00 0.00 1.15 0.02 -2.00 -3.49 113.55 109.77 2k2t h SER 32 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k2t h SER 32 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2k2t h SER 32 CO 0.12 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 2k2t n GLY 33 N 1.36 -1.78 3.39 -3.77 0.00 -1.23 -5.15 105.19 98.01 2k2t n GLY 33 Ca -0.04 0.72 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 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 0.26 1.61 1.13 -1.26 -0.51 117.35 118.16 2k2t s TYR 34 Ca 0.00 0.49 0.04 0.00 -1.41 0.00 0.00 57.07 56.19 2k2t s TYR 34 Cb 0.00 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 2k2t s TYR 34 CO 0.00 -0.63 -0.01 0.96 -2.51 0.00 0.00 175.55 173.37 2k2t s ILE 35 N -2.31 1.21 -0.08 -3.49 -4.36 0.78 -4.79 121.20 108.15 2k2t s ILE 35 Ca -0.06 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.32 2k2t s ILE 35 Cb -0.01 -2.43 -0.00 0.00 1.25 0.00 0.00 42.46 41.27 2k2t s ILE 35 CO -0.01 -0.27 -0.22 0.00 0.24 0.00 0.00 174.94 174.68 2k2t s ARG 37 N 0.26 1.96 0.42 0.00 0.52 0.99 -4.96 118.95 118.13 2k2t s ARG 37 Ca -0.14 -1.75 -0.18 0.00 -0.52 0.00 0.00 55.73 53.14 2k2t s ARG 37 Cb -0.16 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.77 2k2t s ARG 37 CO 0.07 -0.97 0.90 0.00 0.02 0.00 0.00 175.30 175.32 2k2t s ASN 39 N -2.43 6.27 -0.11 0.00 0.01 -0.15 -4.91 114.94 113.62 2k2t s ASN 39 Ca 0.59 1.11 -0.37 0.00 -0.71 0.00 0.00 52.86 53.48 2k2t s ASN 39 Cb -0.09 -2.33 -0.14 0.00 0.41 0.00 0.00 41.25 39.09 2k2t s ASN 39 CO 0.18 -0.67 1.71 0.00 -1.51 0.00 0.00 177.10 176.82 2k2t n GLN 40 N -2.38 1.60 0.00 -0.60 6.02 -1.26 -0.61 117.38 120.16 2k2t n GLN 40 Ca 0.03 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2k2t n GLN 40 Cb 0.55 -2.33 0.00 0.00 1.02 0.00 0.00 30.24 29.48 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2t n GLY 41 N 3.93 2.03 3.63 1.08 0.00 -1.26 -0.44 105.19 114.17 2k2t n GLY 41 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.23 2.60 0.05 1.61 2.02 0.22 -0.39 117.35 121.22 2k2t s TYR 42 Ca 0.00 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2k2t s TYR 42 Cb 0.00 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 2k2t s TYR 42 CO 0.00 0.54 -0.00 -0.98 -1.57 0.00 0.00 175.55 173.53 2k2t s ARG 43 N -3.70 0.58 0.00 -0.62 1.70 0.17 -4.68 118.95 112.41 2k2t s ARG 43 Ca 0.33 -1.07 -0.25 0.00 -0.47 0.00 0.00 55.73 54.27 2k2t s ARG 43 Cb -0.03 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2k2t s ARG 43 CO 0.20 -0.12 0.79 0.42 -1.08 0.00 0.00 175.30 175.50 2k2t s ILE 44 N -3.46 4.85 0.19 4.99 -1.09 -1.26 -0.47 121.20 124.94 2k2t s ILE 44 Ca 0.03 1.65 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 2k2t s ILE 44 Cb 0.04 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2k2t s ILE 44 CO -0.08 0.29 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.36 2k2t s SER 45 N 0.39 1.52 -0.14 3.58 0.15 0.37 -4.91 113.70 114.66 2k2t s SER 45 Ca 0.41 -1.17 0.01 0.00 0.70 0.00 0.00 55.95 55.89 2k2t s SER 45 Cb -0.20 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2k2t s SER 45 CO 0.22 -0.52 -0.15 -0.76 1.20 0.00 0.00 173.24 173.23 2k2t s LEU 46 N -3.22 1.75 -1.35 3.45 1.43 -1.26 -0.02 118.68 119.46 2k2t s LEU 46 Ca 0.25 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2k2t s LEU 46 Cb 0.05 -1.19 0.11 0.00 0.03 0.00 0.00 46.19 45.20 2k2t s LEU 46 CO 0.05 -0.02 2.05 0.47 0.23 0.00 0.00 176.35 179.13 2k2t n ASP 47 N 4.56 4.90 0.00 2.29 9.92 -1.02 -4.77 116.55 132.43 2k2t n ASP 47 Ca -0.18 -3.01 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 2k2t n ASP 47 Cb 0.50 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 2k2t n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2t n GLY 48 N 3.21 2.23 0.00 0.44 0.00 -1.26 -4.39 105.19 105.42 2k2t n GLY 48 Ca 0.46 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 0.03 -0.65 2.61 -2.24 -1.26 -4.78 114.28 107.98 2k2t n THR 49 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2k2t n THR 49 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.35 0.62 3.74 3.38 0.00 -1.26 -5.05 105.19 106.97 2k2t n GLY 50 Ca 0.16 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2k2t n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2t s ASN 51 N -2.63 7.43 -0.27 1.61 2.20 -1.26 -4.91 114.94 117.11 2k2t s ASN 51 Ca 0.00 1.70 -0.29 0.00 -0.94 0.00 0.00 52.86 53.33 2k2t s ASN 51 Cb 0.00 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.71 2k2t s ASN 51 CO 0.00 0.02 1.06 -0.69 -2.94 0.00 0.00 177.10 174.54 2k2t s VAL 52 N -0.30 4.61 0.36 3.54 1.01 -1.26 -2.42 120.40 125.93 2k2t s VAL 52 Ca 0.43 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.35 2k2t s VAL 52 Cb -0.23 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 2k2t s VAL 52 CO 0.28 -0.30 0.07 0.42 0.00 0.00 0.00 175.10 175.57 2k2t s THR 53 N 3.38 1.05 -0.08 3.92 -4.23 0.98 -4.48 115.64 116.19 2k2t s THR 53 Ca 0.45 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2k2t s THR 53 Cb -0.14 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2k2t s THR 53 CO 0.10 0.00 -0.21 0.00 -0.54 0.00 0.00 174.62 173.97 2k2t s ILE 55 N 0.28 0.70 0.22 0.00 -4.36 0.38 -4.64 121.20 113.77 2k2t s ILE 55 Ca -0.13 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 57.97 2k2t s ILE 55 Cb -0.16 -2.14 -0.09 0.00 1.25 0.00 0.00 42.46 41.32 2k2t s ILE 55 CO 0.06 -0.46 1.22 0.54 0.24 0.00 0.00 174.94 176.54 2k2t s VAL 56 N -3.64 3.39 -0.06 8.37 0.11 -1.26 0.43 120.40 127.74 2k2t s VAL 56 Ca 0.24 1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 60.48 2k2t s VAL 56 Cb 0.06 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 2k2t s VAL 56 CO 0.04 0.22 -0.07 -0.09 -3.33 0.00 0.00 175.10 171.88 2k2t h ARG 57 N 4.85 0.00 0.00 1.54 2.43 -0.99 -3.43 114.38 118.77 2k2t h ARG 57 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2k2t h ARG 57 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2k2t h ARG 57 CO 0.73 0.00 0.00 0.94 -1.51 0.00 0.00 179.97 180.13 2k2t n GLN 58 N -3.39 0.00 -0.57 0.20 7.27 -1.00 -5.04 117.38 114.85 2k2t n GLN 58 Ca -0.03 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.12 2k2t n GLN 58 Cb 0.10 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.73 2k2t n GLN 58 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2k2t n GLU 59 N 0.00 -1.15 -3.76 3.69 1.02 -1.26 -4.67 120.64 114.50 2k2t n GLU 59 Ca 0.00 0.76 -0.15 0.00 -0.02 0.00 0.00 57.16 57.75 2k2t n GLU 59 Cb 0.00 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 2k2t n GLU 59 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k2t s SER 60 N -4.95 0.01 0.00 1.62 0.01 -1.26 -4.44 113.70 104.68 2k2t s SER 60 Ca 0.00 0.12 0.24 0.00 1.31 0.00 0.00 55.95 57.62 2k2t s SER 60 Cb 0.00 0.01 0.28 0.00 0.21 0.00 0.00 66.02 66.52 2k2t s SER 60 CO 0.00 -0.13 1.31 0.61 0.41 0.00 0.00 173.24 175.44