#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 4.00 -0.00 2.02 -1.09 -1.26 -0.48 121.20 124.39 2knb s ILE 2 Ca 0.00 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 2knb s ILE 2 Cb 0.00 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 2knb s ILE 2 CO 0.00 0.45 -0.14 0.68 -1.23 0.00 0.00 174.94 174.70 2knb s VAL 3 N 0.74 1.10 -0.39 2.92 -7.23 -1.06 -0.90 120.40 115.58 2knb s VAL 3 Ca -0.00 -0.67 -0.20 0.00 -1.81 0.00 0.00 61.98 59.29 2knb s VAL 3 Cb -0.14 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 35.87 2knb s VAL 3 CO 0.02 0.25 0.63 -0.36 -0.31 0.00 0.00 175.10 175.34 2knb s PHE 4 N -0.42 3.12 -0.31 2.82 0.08 0.63 -0.47 117.98 123.42 2knb s PHE 4 Ca 0.05 0.18 -0.16 0.00 0.12 0.00 0.00 56.93 57.12 2knb s PHE 4 Cb -0.06 -3.22 -0.02 0.00 -0.57 0.00 0.00 43.02 39.16 2knb s PHE 4 CO -0.00 -0.72 0.42 0.08 -0.10 0.00 0.00 175.22 174.90 2knb s VAL 5 N 2.74 5.12 -0.40 -0.44 1.01 0.43 -0.45 120.40 128.42 2knb s VAL 5 Ca 0.23 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 2knb s VAL 5 Cb -0.14 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2knb s VAL 5 CO 0.16 -0.03 0.25 -0.60 0.00 0.00 0.00 175.10 174.89 2knb s ARG 6 N 2.17 2.80 -0.66 2.72 3.52 0.52 -0.78 118.95 129.23 2knb s ARG 6 Ca 0.16 -1.21 -0.10 0.00 -0.13 0.00 0.00 55.73 54.44 2knb s ARG 6 Cb -0.16 -3.82 0.17 0.00 -1.56 0.00 0.00 34.95 29.58 2knb s ARG 6 CO 0.11 -0.82 0.56 0.12 -0.81 0.00 0.00 175.30 174.47 2knb s PHE 7 N 1.54 3.54 -1.53 5.12 5.36 -1.26 -0.23 117.98 130.52 2knb s PHE 7 Ca 0.03 -2.07 -0.14 0.00 -0.96 0.00 0.00 56.93 53.79 2knb s PHE 7 Cb -0.21 -3.59 0.11 0.00 -0.34 0.00 0.00 43.02 38.99 2knb s PHE 7 CO 0.06 -0.96 0.80 -1.71 -1.46 0.00 0.00 175.22 171.95 2knb n ASN 8 N 4.21 -4.14 -0.81 6.13 5.15 -1.14 -4.92 115.26 119.73 2knb n ASN 8 Ca 0.04 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.27 2knb n ASN 8 Cb 0.42 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 2knb n ASN 8 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2knb n SER 9 N -2.64 0.43 -0.10 1.20 2.88 -1.26 -5.09 113.62 109.05 2knb n SER 9 Ca 0.04 -0.67 -0.23 0.00 -1.33 0.00 0.00 58.87 56.68 2knb n SER 9 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2knb n SER 10 N -1.72 1.98 -1.47 -3.46 3.41 -1.26 -5.00 113.62 106.10 2knb n SER 10 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2knb n SER 10 Cb 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 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 -3.91 -2.13 -3.67 7.33 0.18 -1.26 -5.06 117.16 108.65 2knb n TYR 11 Ca -0.42 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.22 2knb n TYR 11 Cb 0.89 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.78 2knb n TYR 11 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2knb s GLY 12 N -1.76 -0.30 -0.16 -7.48 0.00 -1.26 -4.39 107.32 91.98 2knb s GLY 12 Ca 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 44.72 45.18 2knb s GLY 12 CO 0.00 0.27 0.11 -0.11 0.00 0.00 0.00 173.10 173.37 2knb s PHE 13 N -1.79 3.44 -0.04 1.90 -0.12 0.04 -4.67 117.98 116.74 2knb s PHE 13 Ca -0.09 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.84 2knb s PHE 13 Cb -0.02 -2.03 -0.04 0.00 -0.63 0.00 0.00 43.02 40.29 2knb s PHE 13 CO 0.03 0.45 1.28 -1.25 -0.05 0.00 0.00 175.22 175.68 2knb s PRO 14 N -0.26 4.32 -0.12 1.99 0.04 -1.26 -0.43 135.00 139.28 2knb s PRO 14 Ca 0.10 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2knb s PRO 14 Cb -0.12 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2knb s PRO 14 CO 0.01 -0.51 -0.13 0.08 0.04 0.00 0.00 177.00 176.49 2knb s VAL 15 N 2.32 3.02 -0.39 -0.36 1.01 0.38 -4.91 120.40 121.47 2knb s VAL 15 Ca 0.59 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 2knb s VAL 15 Cb -0.27 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2knb s VAL 15 CO 0.24 0.53 1.05 -0.70 0.00 0.00 0.00 175.10 176.21 2knb s GLU 16 N 0.27 3.87 0.31 2.72 2.56 -1.26 -2.57 118.70 124.60 2knb s GLU 16 Ca -0.10 0.73 0.03 0.00 0.00 0.00 0.00 54.97 55.63 2knb s GLU 16 Cb -0.16 -3.82 -0.01 0.00 2.00 0.00 0.00 34.13 32.14 2knb s GLU 16 CO 0.05 -1.08 0.11 1.33 -0.56 0.00 0.00 175.26 175.12 2knb n VAL 17 N 6.23 0.00 -4.45 3.70 0.24 0.37 -4.92 118.33 119.51 2knb n VAL 17 Ca 0.10 -1.82 -0.20 0.00 -2.04 0.00 0.00 64.34 60.39 2knb n VAL 17 Cb 0.48 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 2knb n VAL 17 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2knb n ASP 18 N -1.66 2.42 0.15 -1.34 5.75 -1.26 0.30 116.55 120.91 2knb n ASP 18 Ca -0.04 -2.45 0.01 0.00 -0.01 0.00 0.00 54.79 52.30 2knb n ASP 18 Cb 0.47 0.36 0.21 0.00 -1.03 0.00 0.00 41.12 41.13 2knb n ASP 18 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2knb h SER 19 N 0.87 0.00 -0.71 -1.12 0.02 -1.98 -3.22 113.55 107.42 2knb h SER 19 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2knb h SER 19 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2knb h SER 19 CO 0.42 0.54 0.00 -0.67 -1.14 0.00 0.00 176.83 175.98 2knb n ASP 20 N -3.66 4.41 -4.75 3.07 2.03 -1.26 -1.29 116.55 115.11 2knb n ASP 20 Ca -0.01 -2.22 -0.41 0.00 0.52 0.00 0.00 54.79 52.67 2knb n ASP 20 Cb 0.60 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.43 3.21 0.20 5.18 2.01 -1.22 -4.79 115.64 118.80 2knb s THR 21 Ca 0.51 1.05 -0.12 0.00 0.31 0.00 0.00 61.69 63.44 2knb s THR 21 Cb 0.30 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.06 2knb s THR 21 CO 0.30 0.19 0.56 -0.44 -0.69 0.00 0.00 174.62 174.53 2knb s SER 22 N 0.03 6.73 0.24 3.53 0.01 -1.26 -1.89 113.70 121.09 2knb s SER 22 Ca 0.53 1.02 -0.06 0.00 1.31 0.00 0.00 55.95 58.75 2knb s SER 22 Cb -0.36 -2.26 0.33 0.00 0.21 0.00 0.00 66.02 63.94 2knb s SER 22 CO 0.41 0.00 1.84 0.40 0.41 0.00 0.00 173.24 176.30 2knb h ILE 23 N 2.37 1.01 -0.95 1.44 1.08 -0.93 -2.03 117.51 119.51 2knb h ILE 23 Ca -0.48 -0.31 0.09 0.00 -0.39 0.00 0.00 64.86 63.77 2knb h ILE 23 Cb 1.18 0.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 2knb h ILE 23 CO 0.67 0.16 0.59 0.15 -0.69 0.00 0.00 178.15 179.04 2knb h PHE 24 N 0.90 1.08 0.16 1.37 3.57 -0.87 0.23 116.94 123.38 2knb h PHE 24 Ca 0.37 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2knb h PHE 24 Cb 0.20 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2knb h PHE 24 CO -0.04 0.50 -0.08 1.96 -2.23 0.00 0.00 178.31 178.41 2knb h GLN 25 N 1.01 -0.21 -0.43 1.11 4.20 -1.65 -1.24 115.11 117.90 2knb h GLN 25 Ca 0.44 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.21 2knb h GLN 25 Cb 0.31 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2knb h GLN 25 CO -0.22 0.04 0.29 1.25 -0.67 0.00 0.00 178.83 179.52 2knb h LEU 26 N -0.45 0.33 -0.22 1.46 5.85 -1.13 -1.56 115.31 119.59 2knb h LEU 26 Ca -0.02 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2knb h LEU 26 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2knb h LEU 26 CO 0.04 0.22 0.00 0.50 -0.34 0.00 0.00 178.44 178.86 2knb h LYS 27 N 0.38 0.38 -0.08 1.25 3.64 -0.64 -2.85 116.57 118.66 2knb h LYS 27 Ca 0.18 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2knb h LYS 27 Cb 0.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2knb h LYS 27 CO -0.04 0.57 -0.07 0.93 -2.27 0.00 0.00 179.45 178.57 2knb h GLU 28 N 0.15 0.11 -0.85 1.90 5.08 -0.29 -0.86 114.58 119.83 2knb h GLU 28 Ca 0.06 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2knb h GLU 28 Cb 0.40 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2knb h GLU 28 CO 0.01 0.19 0.55 0.28 -1.00 0.00 0.00 179.01 179.05 2knb h VAL 29 N 0.11 1.17 0.00 3.13 2.07 -1.12 -1.60 116.25 120.01 2knb h VAL 29 Ca 0.03 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 2knb h VAL 29 Cb 0.20 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 2knb h VAL 29 CO 0.01 0.20 -0.98 0.58 0.02 0.00 0.00 177.57 177.40 2knb h VAL 30 N 1.10 1.40 -0.27 2.57 2.07 -1.39 -3.22 116.25 118.51 2knb h VAL 30 Ca 0.33 -3.04 0.02 0.00 0.82 0.00 0.00 66.70 64.83 2knb h VAL 30 Cb -0.05 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2knb h VAL 30 CO -0.10 0.80 0.14 0.00 0.02 0.00 0.00 177.57 178.43 2knb h ALA 31 N 1.12 0.33 0.00 1.67 0.00 -0.45 -1.31 119.26 120.62 2knb h ALA 31 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2knb h ALA 31 Cb 1.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2knb h ALA 31 CO 0.11 -0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.46 2knb n LYS 32 N -4.97 0.10 0.03 0.00 -0.00 -0.67 -0.34 118.16 112.31 2knb n LYS 32 Ca -0.01 0.07 -0.19 0.00 -0.00 0.00 0.00 58.31 58.18 2knb n LYS 32 Cb 0.06 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.46 2knb n LYS 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2knb h ARG 33 N 0.00 0.33 -0.01 -1.58 2.43 -1.25 -3.36 114.38 110.93 2knb h ARG 33 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2knb h ARG 33 Cb 0.37 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2knb h ARG 33 CO 0.00 1.20 -0.14 1.04 -1.51 0.00 0.00 179.97 180.56 2knb n GLN 34 N -4.16 1.42 -2.70 0.20 1.13 -1.01 -5.00 117.38 107.25 2knb n GLN 34 Ca -0.13 -1.05 -0.08 0.00 -1.94 0.00 0.00 57.00 53.80 2knb n GLN 34 Cb 0.77 -1.24 0.04 0.00 0.11 0.00 0.00 30.24 29.93 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 0.93 0.04 3.21 1.08 0.00 0.54 -5.05 105.19 105.94 2knb n GLY 35 Ca 0.07 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.18 1.98 -0.03 1.61 1.01 -0.24 -5.02 120.40 116.53 2knb s VAL 36 Ca 0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 61.98 60.62 2knb s VAL 36 Cb -0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 36.38 34.50 2knb s VAL 36 CO 0.36 0.54 1.45 -2.65 0.00 0.00 0.00 175.10 174.81 2knb n PRO 37 N 3.48 1.11 0.26 2.72 -0.02 -1.26 -4.58 135.00 136.70 2knb n PRO 37 Ca -0.19 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 2knb n PRO 37 Cb 0.53 -2.05 0.68 0.00 -0.02 0.00 0.00 33.50 32.64 2knb n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2knb h ALA 38 N 5.29 1.56 0.00 3.55 0.00 -1.93 -1.73 119.26 126.01 2knb h ALA 38 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2knb h ALA 38 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2knb h ALA 38 CO 0.83 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 2knb n ASP 39 N -4.03 0.74 -0.75 0.00 5.75 -1.26 -2.30 116.55 114.70 2knb n ASP 39 Ca -0.02 0.66 0.10 0.00 -0.01 0.00 0.00 54.79 55.52 2knb n ASP 39 Cb 0.19 -0.83 0.07 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.29 1.75 -3.59 0.11 6.02 -0.65 -4.95 117.38 113.77 2knb n GLN 40 Ca 0.03 -1.59 -0.37 0.00 -0.01 0.00 0.00 57.00 55.05 2knb n GLN 40 Cb 0.26 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.75 4.39 0.16 1.08 1.43 -0.97 0.10 118.68 123.12 2knb s LEU 41 Ca 0.22 0.73 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2knb s LEU 41 Cb 0.17 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2knb s LEU 41 CO 0.28 0.28 -0.22 -0.13 0.23 0.00 0.00 176.35 176.79 2knb s ARG 42 N -0.64 1.34 -0.14 1.70 1.81 0.72 -4.90 118.95 118.83 2knb s ARG 42 Ca 0.20 -1.38 0.01 0.00 -1.72 0.00 0.00 55.73 52.84 2knb s ARG 42 Cb -0.15 -1.58 0.02 0.00 -0.45 0.00 0.00 34.95 32.79 2knb s ARG 42 CO 0.09 0.35 -0.16 0.08 -0.68 0.00 0.00 175.30 174.97 2knb s VAL 43 N -1.59 1.69 -0.12 3.52 1.01 -1.26 -1.47 120.40 122.18 2knb s VAL 43 Ca 0.15 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2knb s VAL 43 Cb -0.08 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2knb s VAL 43 CO 0.07 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 174.80 2knb s ILE 44 N 1.20 1.96 -0.14 2.22 1.01 0.64 -0.44 121.20 127.66 2knb s ILE 44 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 2knb s ILE 44 Cb -0.14 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2knb s ILE 44 CO -0.07 0.53 -0.07 0.12 0.00 0.00 0.00 174.94 175.46 2knb s PHE 45 N 0.68 1.62 -1.40 3.97 5.36 0.10 -0.68 117.98 127.63 2knb s PHE 45 Ca -0.11 -0.93 -0.06 0.00 -0.96 0.00 0.00 56.93 54.87 2knb s PHE 45 Cb -0.16 -1.29 0.04 0.00 -0.34 0.00 0.00 43.02 41.27 2knb s PHE 45 CO 0.02 -0.57 0.85 0.00 -1.46 0.00 0.00 175.22 174.06 2knb n ALA 46 N 4.90 -1.67 -1.09 11.12 0.00 -1.26 -1.11 120.51 131.40 2knb n ALA 46 Ca -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 2knb n ALA 46 Cb 0.49 -3.22 -0.01 0.00 0.00 0.00 0.00 19.45 16.70 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 -1.64 0.61 2.93 0.00 0.00 -1.26 -5.00 105.19 100.82 2knb n GLY 47 Ca -0.14 -0.37 -0.28 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 -1.57 1.71 -0.37 1.61 1.02 -0.26 -5.09 119.74 116.79 2knb s LYS 48 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.36 2knb s LYS 48 Cb 0.00 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 2knb s LYS 48 CO 0.00 -0.27 1.47 -2.00 -0.92 0.00 0.00 175.35 173.63 2knb s GLU 49 N 1.65 3.60 -0.20 1.68 2.12 -1.26 0.00 118.70 126.29 2knb s GLU 49 Ca 0.05 1.10 -0.29 0.00 0.36 0.00 0.00 54.97 56.19 2knb s GLU 49 Cb -0.13 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 2knb s GLU 49 CO -0.09 -1.53 1.48 -0.51 -0.54 0.00 0.00 175.26 174.07 2knb s LEU 50 N 5.49 4.03 0.23 2.70 1.43 0.42 -4.95 118.68 128.03 2knb s LEU 50 Ca 0.64 1.66 -0.32 0.00 -1.03 0.00 0.00 54.13 55.08 2knb s LEU 50 Cb -0.16 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.40 2knb s LEU 50 CO 0.31 -1.05 1.63 0.00 0.23 0.00 0.00 176.35 177.47 2knb n GLN 51 N 7.26 2.58 0.08 1.70 1.13 -1.26 -4.54 117.38 124.33 2knb n GLN 51 Ca 0.17 0.92 0.17 0.00 -1.94 0.00 0.00 57.00 56.33 2knb n GLN 51 Cb 0.45 -2.72 0.70 0.00 0.11 0.00 0.00 30.24 28.78 2knb n GLN 51 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2knb h ASN 52 N 5.79 0.00 -0.29 1.08 -0.26 -1.92 0.34 115.58 120.32 2knb h ASN 52 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 2knb h ASN 52 Cb 1.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.48 2knb h ASN 52 CO 0.88 0.00 0.00 1.57 -1.06 0.00 0.00 177.43 178.82 2knb n HIS 53 N -4.31 0.38 -2.84 1.19 -0.00 -1.26 -0.23 115.22 108.15 2knb n HIS 53 Ca 0.06 -0.19 -0.25 0.00 0.46 0.00 0.00 57.72 57.80 2knb n HIS 53 Cb 0.47 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.35 2knb n HIS 53 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2knb s LEU 54 N -1.22 3.64 0.31 0.27 1.43 0.11 -4.89 118.68 118.33 2knb s LEU 54 Ca 0.28 0.61 0.10 0.00 -1.03 0.00 0.00 54.13 54.08 2knb s LEU 54 Cb 0.15 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 2knb s LEU 54 CO 0.20 -0.65 -0.04 0.42 0.23 0.00 0.00 176.35 176.52 2knb s THR 55 N -2.65 2.74 0.15 5.49 -4.23 -1.26 -0.84 115.64 115.03 2knb s THR 55 Ca 0.47 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.74 2knb s THR 55 Cb -0.10 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2knb s THR 55 CO 0.41 -0.28 1.71 0.58 -0.54 0.00 0.00 174.62 176.50 2knb h VAL 56 N 1.94 0.77 0.00 2.29 2.07 -1.37 -0.63 116.25 121.32 2knb h VAL 56 Ca -0.42 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2knb h VAL 56 Cb 1.25 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2knb h VAL 56 CO 0.64 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.25 2knb n GLN 57 N -5.18 0.76 -0.19 1.57 10.64 -0.41 -2.46 117.38 122.11 2knb n GLN 57 Ca -0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 2knb n GLN 57 Cb 0.16 -1.08 0.15 0.00 -0.86 0.00 0.00 30.24 28.60 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 -0.58 2.90 -3.24 2.61 2.85 -0.25 -5.01 115.26 114.55 2knb n ASN 58 Ca 0.03 -2.37 -0.14 0.00 -0.11 0.00 0.00 54.58 51.99 2knb n ASN 58 Cb 0.01 -0.28 -0.03 0.00 1.24 0.00 0.00 39.78 40.72 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 -1.37 4.76 -4.72 0.00 5.75 -1.26 -4.87 116.55 114.83 2knb n ASP 60 Ca -0.00 -2.46 -0.39 0.00 -0.01 0.00 0.00 54.79 51.92 2knb n ASP 60 Cb 0.61 -0.91 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 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 -0.49 4.32 0.00 -2.12 1.43 -1.26 -5.05 118.68 115.52 2knb s LEU 61 Ca 0.08 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2knb s LEU 61 Cb 0.07 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2knb s LEU 61 CO 0.00 -0.08 0.10 -1.84 0.23 0.00 0.00 176.35 174.77 2knb n GLU 62 N 3.67 0.60 -2.11 1.70 0.28 -1.26 -4.84 120.64 118.68 2knb n GLU 62 Ca -0.03 -1.95 -0.41 0.00 -0.16 0.00 0.00 57.16 54.61 2knb n GLU 62 Cb 0.51 1.20 -0.02 0.00 1.43 0.00 0.00 31.44 34.56 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 -2.86 4.35 -0.97 3.44 2.00 -1.26 -2.93 119.66 121.43 2knb s GLN 63 Ca 0.15 2.21 0.00 0.00 -2.00 0.00 0.00 55.36 55.72 2knb s GLN 63 Cb 0.01 -3.09 0.00 0.00 0.80 0.00 0.00 33.01 30.73 2knb s GLN 63 CO 0.10 -0.23 0.00 1.04 -0.50 0.00 0.00 175.29 175.70 2knb n GLN 64 N 1.24 -0.67 -2.83 1.67 6.02 -0.08 -5.01 117.38 117.73 2knb n GLN 64 Ca 0.02 0.81 -0.33 0.00 -0.01 0.00 0.00 57.00 57.49 2knb n GLN 64 Cb 0.42 -4.70 -0.06 0.00 1.02 0.00 0.00 30.24 26.91 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 -2.87 6.88 -0.14 1.08 0.01 -1.15 -4.77 113.70 112.75 2knb s SER 65 Ca 0.00 1.61 -0.03 0.00 1.31 0.00 0.00 55.95 58.85 2knb s SER 65 Cb 0.00 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2knb s SER 65 CO 0.00 -0.36 -0.04 -0.51 0.41 0.00 0.00 173.24 172.74 2knb s ILE 66 N -2.20 3.88 0.03 1.44 2.07 -1.26 -0.27 121.20 124.89 2knb s ILE 66 Ca 0.60 -0.37 0.09 0.00 -1.41 0.00 0.00 60.65 59.56 2knb s ILE 66 Cb -0.09 -2.68 -0.03 0.00 0.13 0.00 0.00 42.46 39.79 2knb s ILE 66 CO 0.16 0.52 -0.26 0.68 -1.91 0.00 0.00 174.94 174.12 2knb s VAL 67 N 0.10 2.10 -0.39 4.00 -7.23 0.41 -4.67 120.40 114.72 2knb s VAL 67 Ca -0.01 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 58.76 2knb s VAL 67 Cb -0.14 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.08 2knb s VAL 67 CO 0.03 0.42 0.20 -2.28 -0.31 0.00 0.00 175.10 173.16 2knb s HIS 68 N -0.75 3.29 -0.39 2.82 2.46 0.15 -0.35 115.29 122.52 2knb s HIS 68 Ca 0.11 -1.37 -0.12 0.00 0.47 0.00 0.00 55.06 54.15 2knb s HIS 68 Cb -0.10 -2.64 0.03 0.00 -0.13 0.00 0.00 32.58 29.74 2knb s HIS 68 CO 0.01 -0.77 0.24 0.42 -2.47 0.00 0.00 174.74 172.18 2knb s ILE 69 N 1.45 4.79 0.20 0.89 1.01 0.68 -0.26 121.20 129.95 2knb s ILE 69 Ca 0.01 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 59.94 2knb s ILE 69 Cb -0.21 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2knb s ILE 69 CO 0.03 -0.27 -0.18 0.68 0.00 0.00 0.00 174.94 175.20 2knb s VAL 70 N 1.59 1.96 -0.07 2.92 -7.23 -0.54 -2.90 120.40 116.13 2knb s VAL 70 Ca 0.03 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 57.92 2knb s VAL 70 Cb -0.19 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2knb s VAL 70 CO 0.08 -0.39 0.50 -1.58 -0.31 0.00 0.00 175.10 173.40 2knb s GLN 71 N -3.13 4.28 -0.25 4.82 0.74 -1.26 -0.20 119.66 124.65 2knb s GLN 71 Ca 0.20 0.51 -0.08 0.00 0.05 0.00 0.00 55.36 56.05 2knb s GLN 71 Cb -0.04 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2knb s GLN 71 CO 0.08 0.28 0.08 0.50 -0.55 0.00 0.00 175.29 175.68 2knb s ARG 72 N 0.20 3.68 -0.07 1.67 3.52 0.12 -4.94 118.95 123.13 2knb s ARG 72 Ca 0.27 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 2knb s ARG 72 Cb -0.16 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2knb s ARG 72 CO 0.12 -0.18 1.38 -1.25 -0.81 0.00 0.00 175.30 174.56 2knb s PRO 73 N 1.59 4.25 -0.71 5.12 0.04 -1.26 -4.75 135.00 139.29 2knb s PRO 73 Ca 0.06 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 2knb s PRO 73 Cb -0.15 -3.72 0.10 0.00 0.04 0.00 0.00 34.50 30.77 2knb s PRO 73 CO 0.04 -0.66 0.91 -0.65 0.04 0.00 0.00 177.00 176.68 2knb s GLN 74 N 3.07 3.22 -0.35 4.56 1.11 -1.26 -4.99 119.66 125.02 2knb s GLN 74 Ca 0.62 -1.28 -0.11 0.00 0.01 0.00 0.00 55.36 54.59 2knb s GLN 74 Cb -0.28 -4.41 0.01 0.00 -1.01 0.00 0.00 33.01 27.32 2knb s GLN 74 CO 0.22 -1.70 0.20 1.03 0.01 0.00 0.00 175.29 175.06 2knb s ARG 75 N 3.13 3.15 0.00 2.91 0.52 -1.26 -5.21 118.95 122.19 2knb s ARG 75 Ca 0.21 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2knb s ARG 75 Cb -0.16 -3.70 0.00 0.00 0.52 0.00 0.00 34.95 31.61 2knb s ARG 75 CO 0.03 -0.55 0.40 1.17 0.02 0.00 0.00 175.30 176.38