#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knb s ILE 2 N 0.00 5.36 -0.02 2.02 -1.09 -1.26 -0.23 121.20 125.98 2knb s ILE 2 Ca 0.00 0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.65 2knb s ILE 2 Cb 0.00 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2knb s ILE 2 CO 0.00 0.38 -0.17 0.68 -1.23 0.00 0.00 174.94 174.61 2knb s VAL 3 N 0.79 1.33 -0.42 2.92 -7.23 -0.83 0.12 120.40 117.07 2knb s VAL 3 Ca 0.08 -0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 59.31 2knb s VAL 3 Cb -0.13 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.71 2knb s VAL 3 CO 0.02 0.38 0.76 -0.36 -0.31 0.00 0.00 175.10 175.59 2knb s PHE 4 N -0.28 3.04 -0.26 2.82 0.08 0.33 -0.52 117.98 123.20 2knb s PHE 4 Ca 0.04 0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.25 2knb s PHE 4 Cb -0.08 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.80 2knb s PHE 4 CO -0.00 -0.88 0.18 0.08 -0.10 0.00 0.00 175.22 174.50 2knb s VAL 5 N 3.15 5.33 -0.18 -0.44 1.01 0.12 -0.04 120.40 129.35 2knb s VAL 5 Ca 0.29 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2knb s VAL 5 Cb -0.13 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2knb s VAL 5 CO 0.20 0.30 -0.07 -0.60 0.00 0.00 0.00 175.10 174.93 2knb s ARG 6 N 1.38 3.42 -0.54 2.72 3.52 -0.02 -0.25 118.95 129.18 2knb s ARG 6 Ca 0.08 -0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 55.03 2knb s ARG 6 Cb -0.15 -2.86 0.14 0.00 -1.56 0.00 0.00 34.95 30.52 2knb s ARG 6 CO 0.07 0.01 0.34 0.12 -0.81 0.00 0.00 175.30 175.03 2knb s PHE 7 N 0.92 3.45 -1.56 5.12 5.36 -1.26 0.15 117.98 130.15 2knb s PHE 7 Ca -0.01 -2.69 0.00 0.00 -0.96 0.00 0.00 56.93 53.27 2knb s PHE 7 Cb -0.15 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 2knb s PHE 7 CO 0.00 -0.87 0.00 -1.71 -1.46 0.00 0.00 175.22 171.18 2knb n ASN 8 N 3.79 -4.14 -1.73 6.13 5.15 -1.24 -4.91 115.26 118.30 2knb n ASN 8 Ca 0.04 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2knb n ASN 8 Cb 0.38 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2knb n SER 9 N -0.96 1.96 -0.03 1.20 3.41 -1.26 -5.08 113.62 112.85 2knb n SER 9 Ca -0.16 -0.87 -0.20 0.00 -0.26 0.00 0.00 58.87 57.38 2knb n SER 9 Cb 0.53 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2knb n SER 10 N -0.91 2.01 -3.93 4.04 3.41 -1.26 -4.99 113.62 111.99 2knb n SER 10 Ca 0.00 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 2knb n SER 10 Cb 0.00 -0.70 0.04 0.00 -0.26 0.00 0.00 64.21 63.28 2knb n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2knb n TYR 11 N -3.40 -2.33 -3.99 7.33 4.11 -1.26 -5.09 117.16 112.52 2knb n TYR 11 Ca -0.34 -1.41 -0.12 0.00 -0.00 0.00 0.00 57.90 56.02 2knb n TYR 11 Cb 1.04 -0.35 -0.13 0.00 -0.00 0.00 0.00 39.34 39.89 2knb n TYR 11 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2knb s GLY 12 N -3.68 0.19 -0.18 -7.48 0.00 -1.26 -4.39 107.32 90.52 2knb s GLY 12 Ca 0.38 -0.29 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 2knb s GLY 12 CO 0.24 -0.31 0.23 -0.11 0.00 0.00 0.00 173.10 173.16 2knb s PHE 13 N -0.54 3.43 0.05 1.90 -0.71 0.66 -4.67 117.98 118.10 2knb s PHE 13 Ca -0.04 0.48 -0.31 0.00 -1.04 0.00 0.00 56.93 56.02 2knb s PHE 13 Cb -0.04 -2.29 -0.07 0.00 -1.21 0.00 0.00 43.02 39.41 2knb s PHE 13 CO -0.00 0.23 1.46 -1.25 -1.34 0.00 0.00 175.22 174.32 2knb s PRO 14 N 0.52 4.27 -0.05 1.99 0.04 -1.26 -0.70 135.00 139.82 2knb s PRO 14 Ca 0.13 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.32 2knb s PRO 14 Cb -0.12 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2knb s PRO 14 CO 0.02 -0.58 -0.23 0.08 0.04 0.00 0.00 177.00 176.34 2knb s VAL 15 N 2.10 2.30 -0.42 -0.36 1.01 0.32 -4.91 120.40 120.44 2knb s VAL 15 Ca 0.66 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2knb s VAL 15 Cb -0.35 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2knb s VAL 15 CO 0.29 0.58 0.80 -0.70 0.00 0.00 0.00 175.10 176.06 2knb s GLU 16 N -0.41 3.53 0.45 2.72 2.56 -1.26 -1.97 118.70 124.31 2knb s GLU 16 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.97 55.09 2knb s GLU 16 Cb -0.12 -3.90 -0.01 0.00 2.00 0.00 0.00 34.13 32.10 2knb s GLU 16 CO 0.01 -1.04 0.10 1.33 -0.56 0.00 0.00 175.26 175.10 2knb n VAL 17 N 6.06 0.00 -4.54 3.70 0.24 0.68 -4.91 118.33 119.57 2knb n VAL 17 Ca 0.03 -2.43 -0.25 0.00 -2.04 0.00 0.00 64.34 59.65 2knb n VAL 17 Cb 0.48 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 2knb n VAL 17 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2knb s ASP 18 N -3.66 3.06 0.42 -1.34 -4.77 -1.26 0.43 116.67 109.55 2knb s ASP 18 Ca 0.14 -1.43 0.10 0.00 -3.30 0.00 0.00 52.55 48.06 2knb s ASP 18 Cb 0.01 -0.07 0.95 0.00 -1.09 0.00 0.00 42.92 42.71 2knb s ASP 18 CO 0.10 -0.61 2.02 0.28 0.70 0.00 0.00 175.17 177.66 2knb h SER 19 N 1.90 0.41 -0.65 2.11 0.02 -1.97 -2.04 113.55 113.33 2knb h SER 19 Ca -0.42 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2knb h SER 19 Cb 1.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2knb h SER 19 CO 0.73 0.28 0.00 -0.67 -1.14 0.00 0.00 176.83 176.02 2knb n ASP 20 N -4.48 3.67 -4.72 3.07 2.03 -1.26 -1.21 116.55 113.65 2knb n ASP 20 Ca 0.06 -2.06 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2knb n ASP 20 Cb 0.21 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2knb s THR 21 N -1.21 3.19 0.30 5.18 2.01 -0.77 -4.78 115.64 119.55 2knb s THR 21 Ca 0.45 0.88 -0.10 0.00 0.31 0.00 0.00 61.69 63.23 2knb s THR 21 Cb 0.24 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 2knb s THR 21 CO 0.29 0.09 0.64 -0.44 -0.69 0.00 0.00 174.62 174.50 2knb s SER 22 N 0.91 6.60 0.29 3.53 0.01 -1.26 -1.62 113.70 122.16 2knb s SER 22 Ca 0.63 1.00 0.02 0.00 1.31 0.00 0.00 55.95 58.92 2knb s SER 22 Cb -0.38 -2.26 0.59 0.00 0.21 0.00 0.00 66.02 64.18 2knb s SER 22 CO 0.33 -0.20 1.83 0.40 0.41 0.00 0.00 173.24 176.01 2knb h ILE 23 N 1.67 0.89 -0.47 1.44 1.08 -0.76 -1.70 117.51 119.65 2knb h ILE 23 Ca -0.47 -0.33 0.09 0.00 -0.39 0.00 0.00 64.86 63.76 2knb h ILE 23 Cb 1.18 -0.15 -0.08 0.00 -3.07 0.00 0.00 36.82 34.69 2knb h ILE 23 CO 0.67 0.17 -0.05 0.15 -0.69 0.00 0.00 178.15 178.40 2knb h PHE 24 N 0.95 -0.12 -0.31 1.37 3.57 -1.64 0.12 116.94 120.88 2knb h PHE 24 Ca 0.51 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 62.03 2knb h PHE 24 Cb 0.56 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2knb h PHE 24 CO -0.00 -0.15 0.12 1.96 -2.23 0.00 0.00 178.31 178.01 2knb h GLN 25 N 0.06 0.47 -0.79 1.11 4.20 -1.64 -0.23 115.11 118.29 2knb h GLN 25 Ca 0.23 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.94 2knb h GLN 25 Cb 0.35 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2knb h GLN 25 CO -0.43 0.48 0.52 1.25 -0.67 0.00 0.00 178.83 179.97 2knb h LEU 26 N 0.35 0.69 -0.24 1.46 5.85 -0.89 -1.58 115.31 120.96 2knb h LEU 26 Ca 0.10 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 2knb h LEU 26 Cb 0.18 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2knb h LEU 26 CO -0.01 0.43 -0.45 0.11 -0.34 0.00 0.00 178.44 178.18 2knb h LYS 27 N 0.77 0.72 -0.58 1.25 1.57 -0.27 -3.00 116.57 117.03 2knb h LYS 27 Ca 0.35 -0.46 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2knb h LYS 27 Cb 0.36 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2knb h LYS 27 CO -0.13 1.08 0.40 0.93 -0.57 0.00 0.00 179.45 181.16 2knb h GLU 28 N 0.45 0.31 -0.96 3.15 4.39 -0.09 0.60 114.58 122.42 2knb h GLU 28 Ca 0.01 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2knb h GLU 28 Cb 1.05 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 2knb h GLU 28 CO 0.10 0.20 0.62 0.28 -1.16 0.00 0.00 179.01 179.05 2knb h VAL 29 N 0.32 1.12 0.10 3.13 2.07 -1.25 -0.60 116.25 121.14 2knb h VAL 29 Ca 0.27 -0.40 -0.29 0.00 0.82 0.00 0.00 66.70 67.10 2knb h VAL 29 Cb 0.65 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2knb h VAL 29 CO -0.07 0.21 -1.44 0.58 0.02 0.00 0.00 177.57 176.87 2knb h VAL 30 N 1.17 1.25 -0.21 2.57 2.07 -1.27 -3.23 116.25 118.59 2knb h VAL 30 Ca 0.40 -2.89 0.02 0.00 0.82 0.00 0.00 66.70 65.05 2knb h VAL 30 Cb 0.08 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2knb h VAL 30 CO -0.15 0.82 0.06 0.00 0.02 0.00 0.00 177.57 178.33 2knb h ALA 31 N 0.58 0.23 0.00 1.67 0.00 -0.45 -0.74 119.26 120.55 2knb h ALA 31 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2knb h ALA 31 Cb 1.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2knb h ALA 31 CO 0.16 -0.36 0.00 1.57 0.00 0.00 0.00 179.25 180.62 2knb h LYS 32 N 0.16 0.00 0.16 0.00 2.10 -1.26 0.22 116.57 117.95 2knb h LYS 32 Ca 0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.42 2knb h LYS 32 Cb 0.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2knb h LYS 32 CO -0.10 0.00 -1.52 -0.09 -2.00 0.00 0.00 179.45 175.74 2knb h ARG 33 N 0.00 0.34 0.00 0.07 2.43 -1.33 -3.36 114.38 112.53 2knb h ARG 33 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2knb h ARG 33 Cb 0.51 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2knb h ARG 33 CO 0.00 1.24 -1.14 1.04 -1.51 0.00 0.00 179.97 179.60 2knb n GLN 34 N -3.55 0.83 -2.81 0.20 1.13 -0.38 -4.99 117.38 107.82 2knb n GLN 34 Ca -0.17 -0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 54.77 2knb n GLN 34 Cb 1.06 -1.39 0.03 0.00 0.11 0.00 0.00 30.24 30.05 2knb n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2knb n GLY 35 N 1.43 0.37 3.22 1.08 0.00 0.72 -5.04 105.19 106.96 2knb n GLY 35 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2knb n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2knb s VAL 36 N -3.12 1.83 0.05 1.61 1.01 -0.85 -5.05 120.40 115.89 2knb s VAL 36 Ca 0.16 -0.94 -0.36 0.00 0.00 0.00 0.00 61.98 60.84 2knb s VAL 36 Cb -0.07 -1.56 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 2knb s VAL 36 CO 0.26 0.51 1.52 -2.65 0.00 0.00 0.00 175.10 174.74 2knb n PRO 37 N 3.03 1.58 0.15 2.72 -0.02 -1.26 -4.52 135.00 136.68 2knb n PRO 37 Ca -0.18 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 2knb n PRO 37 Cb 0.52 -2.28 0.54 0.00 -0.02 0.00 0.00 33.50 32.26 2knb n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knb n ALA 38 N 3.54 1.41 0.67 3.55 0.00 -1.26 -1.27 120.51 127.15 2knb n ALA 38 Ca 0.19 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.90 2knb n ALA 38 Cb 0.23 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.68 2knb n ALA 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2knb n ASP 39 N -2.27 0.69 -0.92 0.00 5.75 -1.26 -3.08 116.55 115.46 2knb n ASP 39 Ca 0.01 0.43 0.10 0.00 -0.01 0.00 0.00 54.79 55.31 2knb n ASP 39 Cb 0.15 -0.50 0.16 0.00 -1.03 0.00 0.00 41.12 39.90 2knb n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2knb n GLN 40 N -2.11 2.14 -3.89 0.11 6.02 -0.40 -4.94 117.38 114.30 2knb n GLN 40 Ca 0.05 -1.99 -0.37 0.00 -0.01 0.00 0.00 57.00 54.69 2knb n GLN 40 Cb 0.42 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.20 2knb n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2knb s LEU 41 N -1.38 4.35 0.12 1.08 1.43 -1.18 0.13 118.68 123.24 2knb s LEU 41 Ca 0.30 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2knb s LEU 41 Cb 0.18 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2knb s LEU 41 CO 0.26 0.40 -0.17 -0.13 0.23 0.00 0.00 176.35 176.94 2knb s ARG 42 N -0.98 1.07 -0.18 1.70 1.81 0.41 -4.90 118.95 117.88 2knb s ARG 42 Ca 0.15 -1.22 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 2knb s ARG 42 Cb -0.12 -1.10 0.03 0.00 -0.45 0.00 0.00 34.95 33.31 2knb s ARG 42 CO 0.04 0.23 -0.18 0.08 -0.68 0.00 0.00 175.30 174.79 2knb s VAL 43 N -1.78 1.99 -0.24 3.52 1.01 -1.26 -1.47 120.40 122.18 2knb s VAL 43 Ca 0.08 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2knb s VAL 43 Cb -0.07 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2knb s VAL 43 CO 0.04 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 2knb s ILE 44 N 1.30 3.16 -0.14 2.22 1.01 0.13 -0.25 121.20 128.64 2knb s ILE 44 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2knb s ILE 44 Cb -0.14 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2knb s ILE 44 CO -0.12 0.31 -0.15 0.12 0.00 0.00 0.00 174.94 175.10 2knb s PHE 45 N 1.41 2.17 -1.42 3.97 5.36 0.81 -0.95 117.98 129.33 2knb s PHE 45 Ca 0.03 -1.15 -0.10 0.00 -0.96 0.00 0.00 56.93 54.75 2knb s PHE 45 Cb -0.15 -1.57 0.04 0.00 -0.34 0.00 0.00 43.02 41.00 2knb s PHE 45 CO -0.04 -0.61 1.10 0.00 -1.46 0.00 0.00 175.22 174.21 2knb n ALA 46 N 4.52 -1.34 -1.23 11.12 0.00 -1.26 -1.19 120.51 131.14 2knb n ALA 46 Ca -0.18 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 2knb n ALA 46 Cb 0.51 -4.99 -0.03 0.00 0.00 0.00 0.00 19.45 14.93 2knb n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knb n GLY 47 N -1.86 0.98 2.89 0.00 0.00 -1.26 -5.00 105.19 100.94 2knb n GLY 47 Ca 0.01 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2knb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2knb s LYS 48 N -2.54 1.23 -0.12 1.61 1.02 -0.33 -5.11 119.74 115.49 2knb s LYS 48 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 2knb s LYS 48 Cb 0.00 -1.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 2knb s LYS 48 CO 0.00 -0.20 1.14 -2.00 -0.92 0.00 0.00 175.35 173.37 2knb s GLU 49 N 1.49 4.32 0.11 1.68 2.12 -1.26 -0.13 118.70 127.03 2knb s GLU 49 Ca -0.01 1.54 -0.21 0.00 0.36 0.00 0.00 54.97 56.65 2knb s GLU 49 Cb -0.13 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 2knb s GLU 49 CO -0.04 -0.51 0.65 -0.51 -0.54 0.00 0.00 175.26 174.31 2knb s LEU 50 N 2.64 4.55 0.24 2.70 1.43 0.65 -4.96 118.68 125.93 2knb s LEU 50 Ca 0.52 1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 2knb s LEU 50 Cb -0.21 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 2knb s LEU 50 CO 0.16 0.24 1.13 -1.10 0.23 0.00 0.00 176.35 177.01 2knb s GLN 51 N -1.16 4.59 0.57 1.70 -0.21 -1.26 -4.50 119.66 119.38 2knb s GLN 51 Ca 0.32 1.82 0.30 0.00 0.02 0.00 0.00 55.36 57.81 2knb s GLN 51 Cb -0.21 -3.21 1.46 0.00 1.00 0.00 0.00 33.01 32.05 2knb s GLN 51 CO 0.22 0.10 1.89 -0.97 -2.12 0.00 0.00 175.29 174.41 2knb h ASN 52 N 4.38 0.00 -0.51 5.90 -1.24 -1.96 -0.45 115.58 121.70 2knb h ASN 52 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2knb h ASN 52 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2knb h ASN 52 CO 0.70 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 178.25 2knb n HIS 53 N -3.96 0.72 -3.35 0.67 8.25 -1.26 -1.85 115.22 114.44 2knb n HIS 53 Ca 0.13 -0.35 -0.31 0.00 -0.26 0.00 0.00 57.72 56.93 2knb n HIS 53 Cb 0.80 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.84 2knb n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2knb s LEU 54 N -1.05 4.12 0.33 2.41 1.43 -0.18 -4.88 118.68 120.86 2knb s LEU 54 Ca 0.34 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2knb s LEU 54 Cb 0.18 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2knb s LEU 54 CO 0.23 -0.13 0.17 0.42 0.23 0.00 0.00 176.35 177.27 2knb s THR 55 N -1.92 3.21 0.13 5.49 -4.23 -1.26 -0.38 115.64 116.69 2knb s THR 55 Ca 0.47 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 59.14 2knb s THR 55 Cb -0.11 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2knb s THR 55 CO 0.24 -0.20 1.68 0.58 -0.54 0.00 0.00 174.62 176.37 2knb h VAL 56 N 1.50 0.64 0.00 2.29 2.07 -1.27 -1.75 116.25 119.74 2knb h VAL 56 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2knb h VAL 56 Cb 1.25 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2knb h VAL 56 CO 0.62 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.21 2knb n GLN 57 N -5.28 0.21 -0.29 1.57 10.64 -0.35 -2.68 117.38 121.21 2knb n GLN 57 Ca -0.03 0.33 0.07 0.00 -1.83 0.00 0.00 57.00 55.54 2knb n GLN 57 Cb 0.19 -1.83 0.21 0.00 -0.86 0.00 0.00 30.24 27.95 2knb n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2knb n ASN 58 N -2.22 2.71 -3.42 2.61 2.85 -0.67 -4.89 115.26 112.23 2knb n ASN 58 Ca 0.04 -2.11 -0.18 0.00 -0.11 0.00 0.00 54.58 52.21 2knb n ASN 58 Cb 0.31 -0.36 -0.08 0.00 1.24 0.00 0.00 39.78 40.89 2knb n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2knb n ASP 60 N -1.42 4.12 -4.88 0.00 5.75 -1.26 -4.87 116.55 113.98 2knb n ASP 60 Ca 0.06 -2.41 -0.32 0.00 -0.01 0.00 0.00 54.79 52.11 2knb n ASP 60 Cb 0.63 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.90 2knb n ASP 60 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2knb s LEU 61 N -0.59 4.22 0.00 -2.12 1.43 -1.26 -5.08 118.68 115.27 2knb s LEU 61 Ca 0.10 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2knb s LEU 61 Cb 0.08 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2knb s LEU 61 CO 0.01 -0.01 0.09 -1.84 0.23 0.00 0.00 176.35 174.84 2knb n GLU 62 N 0.05 0.13 -2.01 1.70 0.28 -1.26 -4.81 120.64 114.72 2knb n GLU 62 Ca -0.01 -0.43 -0.41 0.00 -0.16 0.00 0.00 57.16 56.14 2knb n GLU 62 Cb 0.52 0.44 -0.02 0.00 1.43 0.00 0.00 31.44 33.81 2knb n GLU 62 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2knb s GLN 63 N -2.10 4.27 -1.41 3.44 2.00 -1.26 -3.12 119.66 121.48 2knb s GLN 63 Ca 0.04 2.31 -0.02 0.00 -2.00 0.00 0.00 55.36 55.70 2knb s GLN 63 Cb -0.00 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.72 2knb s GLN 63 CO 0.03 -0.39 0.20 1.04 -0.50 0.00 0.00 175.29 175.67 2knb n GLN 64 N 1.86 -2.46 -3.54 1.67 6.02 0.12 -5.00 117.38 116.05 2knb n GLN 64 Ca 0.05 0.81 -0.36 0.00 -0.01 0.00 0.00 57.00 57.49 2knb n GLN 64 Cb 0.40 -5.31 -0.06 0.00 1.02 0.00 0.00 30.24 26.30 2knb n GLN 64 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2knb s SER 65 N -2.43 6.72 -0.15 1.08 0.01 -1.18 -4.80 113.70 112.95 2knb s SER 65 Ca 0.10 0.87 -0.10 0.00 1.31 0.00 0.00 55.95 58.13 2knb s SER 65 Cb -0.04 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2knb s SER 65 CO 0.12 0.24 0.19 -0.51 0.41 0.00 0.00 173.24 173.70 2knb s ILE 66 N -1.25 5.39 0.10 1.44 2.07 -1.26 -0.51 121.20 127.18 2knb s ILE 66 Ca 0.29 0.32 0.08 0.00 -1.41 0.00 0.00 60.65 59.93 2knb s ILE 66 Cb -0.15 -3.50 -0.03 0.00 0.13 0.00 0.00 42.46 38.91 2knb s ILE 66 CO 0.16 0.50 -0.20 0.68 -1.91 0.00 0.00 174.94 174.17 2knb s VAL 67 N -0.22 1.64 -0.25 4.00 -7.23 0.94 -4.64 120.40 114.64 2knb s VAL 67 Ca 0.13 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2knb s VAL 67 Cb -0.12 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.33 2knb s VAL 67 CO 0.03 -0.08 -0.02 -2.28 -0.31 0.00 0.00 175.10 172.43 2knb s HIS 68 N -1.19 3.05 -0.37 2.82 2.46 -0.13 -0.84 115.29 121.10 2knb s HIS 68 Ca 0.06 -1.23 -0.07 0.00 0.47 0.00 0.00 55.06 54.28 2knb s HIS 68 Cb -0.10 -2.12 0.05 0.00 -0.13 0.00 0.00 32.58 30.28 2knb s HIS 68 CO 0.04 -0.64 0.16 0.42 -2.47 0.00 0.00 174.74 172.25 2knb s ILE 69 N 1.41 3.93 0.21 0.89 1.01 0.12 0.22 121.20 128.99 2knb s ILE 69 Ca 0.02 -1.23 0.11 0.00 0.00 0.00 0.00 60.65 59.55 2knb s ILE 69 Cb -0.16 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2knb s ILE 69 CO -0.02 -0.30 -0.23 0.68 0.00 0.00 0.00 174.94 175.07 2knb s VAL 70 N 1.40 2.33 -0.18 2.92 -7.23 -0.54 -3.65 120.40 115.45 2knb s VAL 70 Ca 0.00 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 57.87 2knb s VAL 70 Cb -0.21 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2knb s VAL 70 CO 0.03 -0.20 0.59 -1.58 -0.31 0.00 0.00 175.10 173.63 2knb s GLN 71 N -2.86 4.23 -0.40 4.82 0.74 -1.26 -0.44 119.66 124.48 2knb s GLN 71 Ca 0.22 0.56 -0.05 0.00 0.05 0.00 0.00 55.36 56.15 2knb s GLN 71 Cb -0.07 -3.55 0.09 0.00 1.10 0.00 0.00 33.01 30.58 2knb s GLN 71 CO 0.11 -0.16 0.20 0.50 -0.55 0.00 0.00 175.29 175.38 2knb s ARG 72 N 1.66 2.24 0.54 1.67 3.52 0.12 -4.97 118.95 123.74 2knb s ARG 72 Ca 0.28 -1.65 -0.21 0.00 -0.13 0.00 0.00 55.73 54.02 2knb s ARG 72 Cb -0.16 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 2knb s ARG 72 CO 0.11 -0.99 1.26 -1.25 -0.81 0.00 0.00 175.30 173.62 2knb s PRO 73 N 1.24 3.22 -0.14 5.12 0.04 -1.26 -4.76 135.00 138.45 2knb s PRO 73 Ca 0.05 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2knb s PRO 73 Cb -0.23 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.15 2knb s PRO 73 CO -0.02 -1.05 -0.22 1.14 0.04 0.00 0.00 177.00 176.89 2knb s GLN 74 N -3.01 2.98 -0.68 4.56 -2.07 -1.26 -5.08 119.66 115.11 2knb s GLN 74 Ca 0.72 -0.84 -0.19 0.00 -1.82 0.00 0.00 55.36 53.23 2knb s GLN 74 Cb -0.34 -2.41 0.11 0.00 -1.09 0.00 0.00 33.01 29.28 2knb s GLN 74 CO 0.39 -0.02 0.82 1.03 -1.32 0.00 0.00 175.29 176.20 2knb s ARG 75 N 0.82 3.19 0.00 9.60 0.52 -1.26 -5.22 118.95 126.60 2knb s ARG 75 Ca -0.07 -1.40 0.13 0.00 -0.52 0.00 0.00 55.73 53.87 2knb s ARG 75 Cb -0.15 -4.38 0.11 0.00 0.52 0.00 0.00 34.95 31.04 2knb s ARG 75 CO -0.02 -1.61 0.92 1.63 0.02 0.00 0.00 175.30 176.24