#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 0.00 0.00 1.45 -0.06 -1.26 -4.91 117.38 112.60 2k2t n GLN 6 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2k2t n GLN 6 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2k2t n GLN 6 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2k2t n LEU 7 N -1.78 0.00 0.00 1.69 4.77 -1.26 -2.35 117.00 118.06 2k2t n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k2t n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k2t n LEU 7 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 2k2t n SER 8 N 6.20 0.00 0.17 -1.43 7.64 -1.26 -5.01 113.62 119.93 2k2t n SER 8 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2k2t n SER 8 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2k2t n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k2t h GLU 9 N 0.00 -0.43 -3.69 1.43 3.07 -2.07 -3.46 114.58 109.42 2k2t h GLU 9 Ca 0.00 0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.69 2k2t h GLU 9 Cb 0.00 0.10 -0.25 0.00 -0.84 0.00 0.00 28.75 27.76 2k2t h GLU 9 CO 0.00 -0.29 -0.66 0.95 -1.40 0.00 0.00 179.01 177.62 2k2t s THR 10 N -3.33 0.03 -0.95 1.13 -4.23 -1.26 -5.08 115.64 101.96 2k2t s THR 10 Ca -0.07 -0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 59.92 2k2t s THR 10 Cb 0.01 -0.16 0.01 0.00 1.34 0.00 0.00 72.50 73.70 2k2t s THR 10 CO 0.20 -0.16 1.67 -2.16 -0.54 0.00 0.00 174.62 173.63 2k2t s PRO 11 N -0.47 3.11 0.48 3.99 0.04 -0.99 -4.75 135.00 136.40 2k2t s PRO 11 Ca -0.05 -0.70 0.31 0.00 0.04 0.00 0.00 61.00 60.59 2k2t s PRO 11 Cb -0.03 -5.18 1.40 0.00 0.04 0.00 0.00 34.50 30.72 2k2t s PRO 11 CO -0.00 -2.73 1.75 0.00 0.04 0.00 0.00 177.00 176.06 2k2t h ALA 12 N 10.56 2.82 0.00 8.56 0.00 -1.98 1.11 119.26 140.33 2k2t h ALA 12 Ca 0.14 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 2k2t h ALA 12 Cb 1.01 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2k2t h ALA 12 CO 1.33 -1.24 -2.03 0.00 0.00 0.00 0.00 179.25 177.30 2k2t n ALA 13 N -2.65 1.51 0.84 0.00 0.00 -1.26 -4.23 120.51 114.72 2k2t n ALA 13 Ca 0.28 -1.04 0.12 0.00 0.00 0.00 0.00 53.44 52.81 2k2t n ALA 13 Cb 1.21 -0.53 0.24 0.00 0.00 0.00 0.00 19.45 20.36 2k2t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t h SER 15 N 3.95 0.00 -0.29 0.00 0.87 0.89 -0.61 113.55 118.36 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 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2k2t h SER 15 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 2k2t n SER 16 N -2.75 2.99 -3.01 6.23 7.64 -1.26 -5.00 113.62 118.46 2k2t n SER 16 Ca -0.00 -1.93 -0.09 0.00 1.01 0.00 0.00 58.87 57.86 2k2t n SER 16 Cb 0.19 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 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 1.20 -7.57 0.00 6.43 3.02 -0.24 -5.02 115.26 113.08 2k2t n ASN 17 Ca 0.18 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2k2t n ASN 17 Cb 0.54 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 2k2t n ASN 17 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k2t n PRO 18 N -0.86 0.00 0.17 3.52 -0.02 -1.26 -4.25 135.00 132.29 2k2t n PRO 18 Ca 0.04 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 2k2t n PRO 18 Cb 0.50 -1.02 0.29 0.00 -0.02 0.00 0.00 33.50 33.25 2k2t n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2t n GLY 20 N 0.07 0.71 3.88 0.00 0.00 -1.26 -3.09 105.19 105.50 2k2t n GLY 20 Ca -0.01 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 3.72 0.58 1.61 0.05 -1.26 -4.91 135.00 134.79 2k2t s PRO 21 Ca 0.00 0.41 0.33 0.00 0.05 0.00 0.00 61.00 61.79 2k2t s PRO 21 Cb 0.00 -2.38 1.81 0.00 0.05 0.00 0.00 34.50 33.98 2k2t s PRO 21 CO 0.00 -0.09 2.20 1.49 0.05 0.00 0.00 177.00 180.65 2k2t h GLU 22 N 0.98 0.00 -0.23 4.56 4.57 -1.95 -0.17 114.58 122.34 2k2t h GLU 22 Ca -0.47 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.60 2k2t h GLU 22 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2k2t h GLU 22 CO 0.63 0.04 -0.32 0.00 -1.18 0.00 0.00 179.01 178.19 2k2t h ALA 23 N 1.96 1.04 0.00 2.92 0.00 -1.99 -3.34 119.26 119.84 2k2t h ALA 23 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2k2t h ALA 23 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k2t h ALA 23 CO 0.01 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.59 2k2t h ALA 24 N 1.26 0.02 -1.58 0.00 0.00 -1.44 -3.42 119.26 114.10 2k2t h ALA 24 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k2t h ALA 24 Cb 0.75 0.21 -0.25 0.00 0.00 0.00 0.00 17.79 18.50 2k2t h ALA 24 CO 0.06 0.20 0.49 0.20 0.00 0.00 0.00 179.25 180.20 2k2t s GLY 25 N -3.94 -0.19 0.27 0.00 0.00 -0.42 -0.60 107.32 102.43 2k2t s GLY 25 Ca -0.09 2.45 -0.21 0.00 0.00 0.00 0.00 44.72 46.87 2k2t s GLY 25 CO 0.20 1.55 0.80 -1.59 0.00 0.00 0.00 173.10 174.06 2k2t s THR 26 N -0.26 4.46 -0.36 0.90 2.01 -0.17 -4.37 115.64 117.85 2k2t s THR 26 Ca 0.01 1.44 -0.13 0.00 0.31 0.00 0.00 61.69 63.32 2k2t s THR 26 Cb -0.03 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 2k2t s THR 26 CO -0.03 0.14 0.26 0.00 -0.69 0.00 0.00 174.62 174.29 2k2t s LYS 28 N 1.70 2.98 -0.21 0.00 2.47 0.38 -2.29 119.74 124.78 2k2t s LYS 28 Ca 0.06 -0.92 -0.29 0.00 -1.56 0.00 0.00 55.97 53.26 2k2t s LYS 28 Cb -0.18 -3.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 2k2t s LYS 28 CO 0.10 -0.46 1.13 -1.21 0.16 0.00 0.00 175.35 175.07 2k2t s GLU 29 N 1.45 4.23 0.18 4.03 2.02 -1.26 0.18 118.70 129.52 2k2t s GLU 29 Ca 0.01 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.46 2k2t s GLU 29 Cb -0.17 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2k2t s GLU 29 CO 0.01 -0.68 0.01 0.25 0.02 0.00 0.00 175.26 174.87 2k2t n THR 30 N 5.39 0.00 0.09 3.63 -2.24 -0.23 -4.89 114.28 116.01 2k2t n THR 30 Ca 0.13 -0.82 0.01 0.00 -2.27 0.00 0.00 64.05 61.10 2k2t n THR 30 Cb 0.46 0.12 0.35 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.40 0.30 0.19 3.42 -0.73 -1.97 -0.86 115.58 116.32 2k2t h ASN 31 Ca -0.14 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.96 2k2t h ASN 31 Cb 0.44 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.95 2k2t h ASN 31 CO 0.24 0.45 0.00 -1.20 -0.37 0.00 0.00 177.43 176.54 2k2t n SER 32 N -4.26 0.00 0.00 1.15 7.64 -1.26 -4.91 113.62 111.98 2k2t n SER 32 Ca -0.00 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2k2t n SER 32 Cb 0.28 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2k2t n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2t n GLY 33 N 0.45 2.24 3.34 0.23 0.00 -0.33 -4.98 105.19 106.14 2k2t n GLY 33 Ca 0.14 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.33 0.21 1.61 1.13 -1.26 -1.07 117.35 117.63 2k2t s TYR 34 Ca 0.00 0.48 0.06 0.00 -1.41 0.00 0.00 57.07 56.20 2k2t s TYR 34 Cb 0.00 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2k2t s TYR 34 CO 0.00 -0.50 -0.09 0.96 -2.51 0.00 0.00 175.55 173.41 2k2t s ILE 35 N -1.64 1.44 -0.10 -3.49 -4.36 0.13 -4.79 121.20 108.39 2k2t s ILE 35 Ca -0.10 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.20 2k2t s ILE 35 Cb -0.03 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.55 2k2t s ILE 35 CO 0.04 -0.52 -0.23 0.00 0.24 0.00 0.00 174.94 174.47 2k2t s ARG 37 N 0.39 2.54 0.04 0.00 6.06 0.40 -4.93 118.95 123.46 2k2t s ARG 37 Ca -0.18 -1.76 -0.26 0.00 -2.50 0.00 0.00 55.73 51.03 2k2t s ARG 37 Cb -0.18 -3.98 -0.05 0.00 0.06 0.00 0.00 34.95 30.80 2k2t s ARG 37 CO 0.08 -1.21 0.80 0.00 -2.50 0.00 0.00 175.30 172.47 2k2t s ASN 39 N 0.11 5.41 0.03 0.00 0.01 0.23 -4.84 114.94 115.89 2k2t s ASN 39 Ca 0.41 2.16 -0.31 0.00 -0.71 0.00 0.00 52.86 54.41 2k2t s ASN 39 Cb -0.21 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.78 2k2t s ASN 39 CO 0.24 -1.43 1.96 0.00 -1.51 0.00 0.00 177.10 176.35 2k2t n GLN 40 N -1.73 2.81 0.00 -0.60 10.64 -1.26 -0.61 117.38 126.63 2k2t n GLN 40 Ca 0.12 1.03 0.00 0.00 -1.83 0.00 0.00 57.00 56.31 2k2t n GLN 40 Cb 0.51 -2.97 0.00 0.00 -0.86 0.00 0.00 30.24 26.92 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2t n GLY 41 N 4.51 1.29 3.36 2.61 0.00 -1.26 -4.88 105.19 110.81 2k2t n GLY 41 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 1.69 0.19 1.61 1.51 0.22 0.03 117.35 120.60 2k2t s TYR 42 Ca 0.00 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.20 2k2t s TYR 42 Cb 0.00 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2k2t s TYR 42 CO 0.00 0.20 0.43 -0.98 -1.11 0.00 0.00 175.55 174.09 2k2t s ARG 43 N -3.73 1.30 0.26 -0.62 1.70 0.30 -4.68 118.95 113.48 2k2t s ARG 43 Ca 0.25 -1.00 -0.29 0.00 -0.47 0.00 0.00 55.73 54.22 2k2t s ARG 43 Cb 0.03 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.78 2k2t s ARG 43 CO 0.08 -0.53 1.24 0.42 -1.08 0.00 0.00 175.30 175.44 2k2t s ILE 44 N -3.92 3.16 0.16 4.99 -1.09 -1.26 -0.87 121.20 122.38 2k2t s ILE 44 Ca 0.13 1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 59.55 2k2t s ILE 44 Cb 0.01 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2k2t s ILE 44 CO -0.01 0.22 0.24 -0.55 -1.23 0.00 0.00 174.94 173.60 2k2t s SER 45 N -0.25 0.10 -0.11 3.58 0.15 0.74 -4.88 113.70 113.03 2k2t s SER 45 Ca 0.51 -0.97 -0.04 0.00 0.70 0.00 0.00 55.95 56.14 2k2t s SER 45 Cb -0.36 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2k2t s SER 45 CO 0.43 -0.87 0.05 -0.76 1.20 0.00 0.00 173.24 173.29 2k2t s LEU 46 N -3.00 3.81 0.60 3.45 1.43 -1.26 -0.11 118.68 123.61 2k2t s LEU 46 Ca 0.20 0.21 0.32 0.00 -1.03 0.00 0.00 54.13 53.83 2k2t s LEU 46 Cb 0.04 -1.90 1.90 0.00 0.03 0.00 0.00 46.19 46.26 2k2t s LEU 46 CO 0.01 0.35 2.26 -2.24 0.23 0.00 0.00 176.35 176.96 2k2t h ASP 47 N 5.41 0.00 0.00 2.29 2.03 -1.79 -3.45 116.42 120.91 2k2t h ASP 47 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 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 0.58 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 2k2t n GLY 48 N -1.20 1.21 0.10 7.15 0.00 -1.26 -4.90 105.19 106.28 2k2t n GLY 48 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 1.35 0.00 2.61 -2.24 -1.26 -4.99 114.28 109.75 2k2t n THR 49 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2k2t n THR 49 Cb 0.00 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 1.80 0.82 3.80 3.38 0.00 -1.26 -5.14 105.19 108.60 2k2t n GLY 50 Ca -0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.82 7.16 -0.46 1.61 0.01 -1.26 -4.88 114.94 116.30 2k2t s ASN 51 Ca 0.00 1.48 -0.29 0.00 -0.71 0.00 0.00 52.86 53.34 2k2t s ASN 51 Cb 0.00 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.25 2k2t s ASN 51 CO 0.00 0.10 1.15 -0.69 -1.51 0.00 0.00 177.10 176.15 2k2t s VAL 52 N -1.38 4.22 0.37 1.60 1.01 -1.26 -2.27 120.40 122.69 2k2t s VAL 52 Ca 0.40 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.69 2k2t s VAL 52 Cb -0.19 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 2k2t s VAL 52 CO 0.22 -0.94 0.05 0.42 0.00 0.00 0.00 175.10 174.86 2k2t s THR 53 N 4.42 1.32 -0.08 3.92 -4.23 0.85 -3.95 115.64 117.88 2k2t s THR 53 Ca 0.48 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2k2t s THR 53 Cb -0.08 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2k2t s THR 53 CO 0.30 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 174.20 2k2t s ILE 55 N 0.52 1.02 0.08 0.00 -4.36 -0.05 -4.71 121.20 113.69 2k2t s ILE 55 Ca -0.17 -1.12 -0.31 0.00 -0.26 0.00 0.00 60.65 58.79 2k2t s ILE 55 Cb -0.17 -0.97 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 2k2t s ILE 55 CO 0.06 -0.14 1.77 0.54 0.24 0.00 0.00 174.94 177.41 2k2t s VAL 56 N -1.08 2.87 -0.20 8.37 0.11 -1.26 -0.53 120.40 128.68 2k2t s VAL 56 Ca -0.01 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2k2t s VAL 56 Cb -0.09 -3.16 0.04 0.00 -1.53 0.00 0.00 36.38 31.64 2k2t s VAL 56 CO 0.02 -0.01 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.10 2k2t s ARG 57 N 3.08 1.84 0.44 1.54 6.06 0.10 -4.85 118.95 127.16 2k2t s ARG 57 Ca 0.79 -0.79 0.12 0.00 -2.50 0.00 0.00 55.73 53.35 2k2t s ARG 57 Cb -0.42 -2.35 1.01 0.00 0.06 0.00 0.00 34.95 33.25 2k2t s ARG 57 CO 0.35 -0.45 2.03 -0.56 -2.50 0.00 0.00 175.30 174.17 2k2t h GLN 58 N 8.00 0.38 -2.60 5.12 3.07 -1.94 -3.21 115.11 123.93 2k2t h GLN 58 Ca -0.26 -0.02 -0.75 0.00 0.09 0.00 0.00 58.65 57.71 2k2t h GLN 58 Cb 1.10 -0.09 -0.31 0.00 0.08 0.00 0.00 27.48 28.26 2k2t h GLN 58 CO 0.45 0.25 0.48 0.39 0.09 0.00 0.00 178.83 180.49 2k2t n GLU 59 N -4.48 4.23 0.02 0.06 1.02 -1.26 -4.49 120.64 115.74 2k2t n GLU 59 Ca 0.05 -4.63 0.00 0.00 -0.02 0.00 0.00 57.16 52.57 2k2t n GLU 59 Cb 0.22 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 2k2t n GLU 59 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k2t n SER 60 N 0.83 0.16 0.00 1.62 7.64 -1.21 -5.09 113.62 117.57 2k2t n SER 60 Ca 0.31 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2k2t n SER 60 Cb 0.34 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64