#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 4.97 -0.01 1.12 -1.09 -1.26 0.28 121.20 125.21 2knb s ILE 2 Ca 0.00 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 2knb s ILE 2 Cb 0.00 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 2knb s ILE 2 CO 0.00 0.45 -0.14 0.68 -1.23 0.00 0.00 174.94 174.71 2knb s VAL 3 N 0.40 1.07 -0.27 2.92 -7.23 -0.46 -1.17 120.40 115.65 2knb s VAL 3 Ca 0.05 -0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 59.50 2knb s VAL 3 Cb -0.12 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 2knb s VAL 3 CO -0.00 0.30 0.34 -0.36 -0.31 0.00 0.00 175.10 175.07 2knb s PHE 4 N -0.29 3.24 -0.23 2.82 0.08 0.38 0.15 117.98 124.13 2knb s PHE 4 Ca 0.05 0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 2knb s PHE 4 Cb -0.05 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 2knb s PHE 4 CO -0.00 -0.21 0.17 0.08 -0.10 0.00 0.00 175.22 175.15 2knb s VAL 5 N 2.00 5.36 -0.20 -0.44 1.01 0.41 0.22 120.40 128.76 2knb s VAL 5 Ca 0.14 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2knb s VAL 5 Cb -0.16 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2knb s VAL 5 CO 0.10 0.36 -0.16 -0.60 0.00 0.00 0.00 175.10 174.80 2knb s ARG 6 N 0.91 2.99 -0.79 2.72 3.52 -0.05 -0.96 118.95 127.29 2knb s ARG 6 Ca 0.08 -0.85 -0.06 0.00 -0.13 0.00 0.00 55.73 54.77 2knb s ARG 6 Cb -0.13 -2.69 0.20 0.00 -1.56 0.00 0.00 34.95 30.77 2knb s ARG 6 CO 0.03 -0.25 0.68 0.12 -0.81 0.00 0.00 175.30 175.07 2knb s PHE 7 N 1.31 3.70 -1.17 5.12 5.36 -1.25 -0.42 117.98 130.63 2knb s PHE 7 Ca 0.04 -2.59 0.00 0.00 -0.96 0.00 0.00 56.93 53.42 2knb s PHE 7 Cb -0.14 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 2knb s PHE 7 CO -0.10 -0.87 0.00 -1.71 -1.46 0.00 0.00 175.22 171.08 2knb n ASN 8 N 3.27 -3.05 -4.94 6.13 4.05 -1.26 -4.92 115.26 114.54 2knb n ASN 8 Ca 0.14 0.27 -0.26 0.00 0.45 0.00 0.00 54.58 55.19 2knb n ASN 8 Cb 0.40 -2.88 0.01 0.00 1.23 0.00 0.00 39.78 38.54 2knb n ASN 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2knb s SER 9 N -1.96 4.68 -0.02 1.20 1.04 -1.26 -5.05 113.70 112.32 2knb s SER 9 Ca 0.00 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 2knb s SER 9 Cb 0.00 0.54 -0.32 0.00 0.10 0.00 0.00 66.02 66.34 2knb s SER 9 CO 0.00 -1.23 0.79 0.28 0.98 0.00 0.00 173.24 174.07 2knb h SER 10 N 0.58 0.70 -5.29 7.02 0.02 -1.99 -3.48 113.55 111.11 2knb h SER 10 Ca -0.35 -0.92 -0.30 0.00 -0.84 0.00 0.00 61.79 59.39 2knb h SER 10 Cb 1.31 -0.23 0.03 0.00 0.14 0.00 0.00 62.40 63.65 2knb h SER 10 CO 0.53 1.75 0.00 0.00 -1.14 0.00 0.00 176.83 177.98 2knb n TYR 11 N -3.63 -2.76 -3.78 3.45 4.11 -1.26 -5.10 117.16 108.18 2knb n TYR 11 Ca -0.22 -1.25 -0.13 0.00 -0.00 0.00 0.00 57.90 56.30 2knb n TYR 11 Cb 1.09 -0.39 -0.13 0.00 -0.00 0.00 0.00 39.34 39.90 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 -3.83 -0.08 0.02 -7.48 0.00 -1.26 -4.50 107.32 90.18 2knb s GLY 12 Ca 0.40 0.59 -0.21 0.00 0.00 0.00 0.00 44.72 45.51 2knb s GLY 12 CO 0.26 0.72 0.60 -0.11 0.00 0.00 0.00 173.10 174.57 2knb s PHE 13 N 0.65 3.71 -0.10 1.90 -0.71 -0.13 -4.66 117.98 118.65 2knb s PHE 13 Ca -0.05 1.24 -0.30 0.00 -1.04 0.00 0.00 56.93 56.78 2knb s PHE 13 Cb -0.06 -2.60 -0.01 0.00 -1.21 0.00 0.00 43.02 39.13 2knb s PHE 13 CO -0.03 0.39 1.02 -1.25 -1.34 0.00 0.00 175.22 174.01 2knb s PRO 14 N -0.36 4.42 -0.10 1.99 0.05 -1.26 -0.45 135.00 139.30 2knb s PRO 14 Ca 0.31 1.42 0.02 0.00 0.05 0.00 0.00 61.00 62.80 2knb s PRO 14 Cb -0.19 -3.54 -0.02 0.00 0.05 0.00 0.00 34.50 30.81 2knb s PRO 14 CO 0.18 -0.32 -0.16 0.08 0.05 0.00 0.00 177.00 176.84 2knb s VAL 15 N 1.99 2.86 -0.41 -0.36 1.01 0.12 -4.91 120.40 120.71 2knb s VAL 15 Ca 0.49 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 2knb s VAL 15 Cb -0.19 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.05 2knb s VAL 15 CO 0.19 0.55 0.80 -0.70 0.00 0.00 0.00 175.10 175.93 2knb s GLU 16 N -0.01 3.59 0.46 2.72 2.56 -1.26 -1.36 118.70 125.40 2knb s GLU 16 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 54.97 55.06 2knb s GLU 16 Cb -0.14 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 32.12 2knb s GLU 16 CO 0.04 -0.99 0.03 1.33 -0.56 0.00 0.00 175.26 175.11 2knb n VAL 17 N 5.99 0.00 -4.49 3.70 0.24 0.14 -4.88 118.33 119.03 2knb n VAL 17 Ca 0.03 -2.13 -0.23 0.00 -2.04 0.00 0.00 64.34 59.97 2knb n VAL 17 Cb 0.48 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.32 2.02 0.06 -1.34 5.75 -1.26 0.12 116.55 120.59 2knb n ASP 18 Ca -0.18 -2.76 -0.04 0.00 -0.01 0.00 0.00 54.79 51.81 2knb n ASP 18 Cb 0.57 0.59 0.17 0.00 -1.03 0.00 0.00 41.12 41.43 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 1.16 0.35 -0.24 -1.12 0.02 -1.98 -3.13 113.55 108.61 2knb h SER 19 Ca -0.29 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2knb h SER 19 Cb 0.99 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2knb h SER 19 CO 0.47 0.75 0.00 -0.67 -1.14 0.00 0.00 176.83 176.24 2knb n ASP 20 N -4.00 2.47 -4.73 3.07 2.03 -1.26 -2.07 116.55 112.05 2knb n ASP 20 Ca -0.02 -1.84 -0.42 0.00 0.52 0.00 0.00 54.79 53.04 2knb n ASP 20 Cb 0.51 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.70 2.45 0.26 5.18 2.01 -1.18 -4.76 115.64 117.89 2knb s THR 21 Ca 0.35 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 2knb s THR 21 Cb 0.20 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2knb s THR 21 CO 0.29 0.04 0.48 -0.94 -0.69 0.00 0.00 174.62 173.80 2knb s SER 22 N 0.78 6.40 0.29 3.53 1.04 -1.26 -1.40 113.70 123.08 2knb s SER 22 Ca 0.66 0.53 0.03 0.00 0.48 0.00 0.00 55.95 57.65 2knb s SER 22 Cb -0.45 -2.07 0.60 0.00 0.10 0.00 0.00 66.02 64.21 2knb s SER 22 CO 0.38 -0.14 1.83 0.40 0.98 0.00 0.00 173.24 176.69 2knb h ILE 23 N 1.36 0.87 -0.65 -1.02 1.08 -0.52 -1.34 117.51 117.30 2knb h ILE 23 Ca -0.48 -0.32 0.13 0.00 -0.39 0.00 0.00 64.86 63.79 2knb h ILE 23 Cb 1.19 -0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 2knb h ILE 23 CO 0.66 0.17 0.15 0.15 -0.69 0.00 0.00 178.15 178.59 2knb h PHE 24 N 0.94 0.24 -0.00 1.37 3.04 -1.73 -0.43 116.94 120.36 2knb h PHE 24 Ca 0.51 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.50 2knb h PHE 24 Cb 0.58 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2knb h PHE 24 CO -0.00 -0.04 0.00 1.96 -2.02 0.00 0.00 178.31 178.21 2knb h GLN 25 N 0.28 0.01 -0.56 1.11 4.20 -1.58 -0.63 115.11 117.94 2knb h GLN 25 Ca 0.35 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.13 2knb h GLN 25 Cb 0.53 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2knb h GLN 25 CO -0.43 0.06 0.37 1.25 -0.67 0.00 0.00 178.83 179.41 2knb h LEU 26 N -0.05 0.42 -0.27 1.46 5.85 -1.21 -1.24 115.31 120.27 2knb h LEU 26 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2knb h LEU 26 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2knb h LEU 26 CO -0.00 0.27 -0.11 0.11 -0.34 0.00 0.00 178.44 178.37 2knb h LYS 27 N 0.48 0.56 -0.32 1.25 1.57 -0.48 -2.96 116.57 116.67 2knb h LYS 27 Ca 0.25 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2knb h LYS 27 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2knb h LYS 27 CO -0.07 0.79 0.22 0.93 -0.57 0.00 0.00 179.45 180.75 2knb h GLU 28 N 0.30 0.33 -0.99 3.15 5.08 0.00 0.14 114.58 122.59 2knb h GLU 28 Ca 0.06 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2knb h GLU 28 Cb 0.61 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2knb h GLU 28 CO 0.04 0.22 0.65 0.28 -1.00 0.00 0.00 179.01 179.19 2knb h VAL 29 N 0.34 1.14 0.06 3.13 2.07 -1.17 -0.27 116.25 121.55 2knb h VAL 29 Ca 0.13 -0.42 -0.25 0.00 0.82 0.00 0.00 66.70 66.98 2knb h VAL 29 Cb 0.10 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 2knb h VAL 29 CO -0.03 0.22 -1.16 0.58 0.02 0.00 0.00 177.57 177.20 2knb h VAL 30 N 1.22 1.56 -0.31 2.57 2.07 -1.27 -3.11 116.25 118.98 2knb h VAL 30 Ca 0.41 -3.21 0.01 0.00 0.82 0.00 0.00 66.70 64.74 2knb h VAL 30 Cb 0.07 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2knb h VAL 30 CO -0.14 0.92 0.18 0.00 0.02 0.00 0.00 177.57 178.54 2knb h ALA 31 N 0.79 0.38 0.00 1.67 0.00 -0.10 0.11 119.26 122.11 2knb h ALA 31 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2knb h ALA 31 Cb 1.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2knb h ALA 31 CO 0.16 -0.19 0.00 1.57 0.00 0.00 0.00 179.25 180.79 2knb h LYS 32 N 0.37 0.00 0.20 0.00 2.10 -1.18 0.17 116.57 118.22 2knb h LYS 32 Ca 0.12 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.42 2knb h LYS 32 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 2knb h LYS 32 CO -0.06 0.00 -1.69 -0.09 -2.00 0.00 0.00 179.45 175.60 2knb h ARG 33 N 0.00 0.43 -0.01 0.07 2.43 -1.27 -3.37 114.38 112.66 2knb h ARG 33 Ca 0.00 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 2knb h ARG 33 Cb 0.70 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2knb h ARG 33 CO 0.00 1.35 -0.47 1.04 -1.51 0.00 0.00 179.97 180.38 2knb n GLN 34 N -3.63 1.44 -3.13 0.20 1.13 0.29 -4.99 117.38 108.70 2knb n GLN 34 Ca -0.23 -0.73 -0.14 0.00 -1.94 0.00 0.00 57.00 53.96 2knb n GLN 34 Cb 1.08 -1.35 0.06 0.00 0.11 0.00 0.00 30.24 30.14 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 1.29 -0.12 3.13 1.08 0.00 0.52 -5.03 105.19 106.05 2knb n GLY 35 Ca 0.07 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.24 1.51 0.11 1.61 1.01 -0.79 -5.05 120.40 115.55 2knb s VAL 36 Ca 0.18 -0.73 -0.36 0.00 0.00 0.00 0.00 61.98 61.08 2knb s VAL 36 Cb -0.08 -1.32 -0.17 0.00 0.00 0.00 0.00 36.38 34.82 2knb s VAL 36 CO 0.52 0.44 1.27 -2.65 0.00 0.00 0.00 175.10 174.68 2knb n PRO 37 N 3.41 1.09 0.26 2.72 -0.02 -1.26 -4.38 135.00 136.81 2knb n PRO 37 Ca -0.20 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2knb n PRO 37 Cb 0.53 -1.98 0.67 0.00 -0.02 0.00 0.00 33.50 32.69 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 4.14 1.18 0.00 3.55 0.00 -1.93 -2.05 119.26 124.15 2knb h ALA 38 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2knb h ALA 38 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2knb h ALA 38 CO 0.75 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.77 2knb n ASP 39 N -3.52 0.00 -0.43 0.00 5.75 -1.26 -2.72 116.55 114.37 2knb n ASP 39 Ca -0.01 -0.16 0.04 0.00 -0.01 0.00 0.00 54.79 54.65 2knb n ASP 39 Cb 0.29 -0.27 0.10 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.27 2.41 -4.19 0.11 6.02 -0.77 -4.99 117.38 114.70 2knb n GLN 40 Ca 0.14 -1.73 -0.36 0.00 -0.01 0.00 0.00 57.00 55.04 2knb n GLN 40 Cb 0.22 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.94 3.87 0.10 1.08 1.43 -1.10 -0.70 118.68 122.42 2knb s LEU 41 Ca 0.15 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2knb s LEU 41 Cb 0.08 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2knb s LEU 41 CO 0.11 0.38 -0.19 -0.13 0.23 0.00 0.00 176.35 176.75 2knb s ARG 42 N -0.89 1.07 -0.15 1.70 1.81 0.25 -4.87 118.95 117.88 2knb s ARG 42 Ca 0.13 -1.16 0.01 0.00 -1.72 0.00 0.00 55.73 53.00 2knb s ARG 42 Cb -0.12 -1.24 0.00 0.00 -0.45 0.00 0.00 34.95 33.14 2knb s ARG 42 CO 0.03 0.28 -0.17 0.08 -0.68 0.00 0.00 175.30 174.84 2knb s VAL 43 N -1.35 2.54 -0.13 3.52 1.01 -1.26 -1.74 120.40 122.98 2knb s VAL 43 Ca 0.06 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2knb s VAL 43 Cb -0.09 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2knb s VAL 43 CO 0.04 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.84 2knb s ILE 44 N 0.82 2.37 -0.09 2.22 1.01 0.79 -0.06 121.20 128.27 2knb s ILE 44 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2knb s ILE 44 Cb -0.15 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.38 2knb s ILE 44 CO -0.01 0.54 -0.01 0.12 0.00 0.00 0.00 174.94 175.58 2knb s PHE 45 N 0.65 0.87 -1.28 3.97 5.36 0.11 -0.30 117.98 127.37 2knb s PHE 45 Ca -0.10 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.50 2knb s PHE 45 Cb -0.16 -0.91 0.01 0.00 -0.34 0.00 0.00 43.02 41.61 2knb s PHE 45 CO 0.02 -0.39 1.04 0.00 -1.46 0.00 0.00 175.22 174.44 2knb n ALA 46 N 5.10 -1.74 -1.32 11.12 0.00 -1.26 -1.71 120.51 130.70 2knb n ALA 46 Ca -0.08 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2knb n ALA 46 Cb 0.50 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 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 -1.50 1.21 3.00 0.00 0.00 -1.26 -4.99 105.19 101.65 2knb n GLY 47 Ca -0.17 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.83 1.70 -0.20 1.61 1.02 -0.69 -5.11 119.74 115.24 2knb s LYS 48 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 2knb s LYS 48 Cb 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 2knb s LYS 48 CO 0.00 -0.04 1.08 -2.00 -0.92 0.00 0.00 175.35 173.47 2knb s GLU 49 N 0.90 4.28 0.12 1.68 2.12 -1.26 0.07 118.70 126.61 2knb s GLU 49 Ca -0.10 1.42 -0.27 0.00 0.36 0.00 0.00 54.97 56.38 2knb s GLU 49 Cb -0.15 -3.65 -0.07 0.00 0.26 0.00 0.00 34.13 30.52 2knb s GLU 49 CO 0.01 -0.60 0.86 -0.51 -0.54 0.00 0.00 175.26 174.47 2knb s LEU 50 N 3.10 4.53 0.20 2.70 1.43 0.91 -4.97 118.68 126.58 2knb s LEU 50 Ca 0.47 1.68 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 2knb s LEU 50 Cb -0.17 -3.42 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 2knb s LEU 50 CO 0.09 0.05 1.01 -1.10 0.23 0.00 0.00 176.35 176.64 2knb s GLN 51 N -0.45 4.72 0.31 1.70 -1.52 -1.26 -4.49 119.66 118.67 2knb s GLN 51 Ca 0.41 1.59 0.09 0.00 -1.95 0.00 0.00 55.36 55.50 2knb s GLN 51 Cb -0.23 -3.29 0.89 0.00 -0.22 0.00 0.00 33.01 30.16 2knb s GLN 51 CO 0.27 0.28 1.69 -0.97 -0.25 0.00 0.00 175.29 176.31 2knb h ASN 52 N 4.68 0.43 -0.23 5.90 -1.24 -1.96 -0.05 115.58 123.12 2knb h ASN 52 Ca -0.45 0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2knb h ASN 52 Cb 1.21 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2knb h ASN 52 CO 0.70 -0.04 0.00 1.57 -1.29 0.00 0.00 177.43 178.36 2knb n HIS 53 N -5.04 0.41 -3.26 0.67 -0.00 -1.26 -2.34 115.22 104.40 2knb n HIS 53 Ca 0.26 -0.18 -0.34 0.00 0.46 0.00 0.00 57.72 57.93 2knb n HIS 53 Cb 0.79 -0.05 -0.06 0.00 -0.12 0.00 0.00 29.99 30.55 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 -0.98 4.23 0.34 0.27 1.43 -0.03 -4.88 118.68 119.06 2knb s LEU 54 Ca 0.17 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2knb s LEU 54 Cb 0.10 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2knb s LEU 54 CO 0.10 -0.03 0.08 0.42 0.23 0.00 0.00 176.35 177.14 2knb s THR 55 N -1.69 2.85 0.16 5.49 -4.23 -1.26 -0.13 115.64 116.83 2knb s THR 55 Ca 0.45 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.92 2knb s THR 55 Cb -0.13 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.87 2knb s THR 55 CO 0.20 -0.20 1.63 0.58 -0.54 0.00 0.00 174.62 176.29 2knb h VAL 56 N 1.68 0.41 0.00 2.29 2.07 -1.25 -0.77 116.25 120.69 2knb h VAL 56 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2knb h VAL 56 Cb 1.25 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2knb h VAL 56 CO 0.65 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.24 2knb n GLN 57 N -5.37 0.90 -0.01 1.57 10.64 -0.88 -2.67 117.38 121.55 2knb n GLN 57 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 2knb n GLN 57 Cb 0.28 -1.10 0.02 0.00 -0.86 0.00 0.00 30.24 28.58 2knb n GLN 57 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2knb n ASN 58 N -0.37 1.87 -3.32 2.61 3.02 -0.30 -5.05 115.26 113.72 2knb n ASN 58 Ca 0.00 -2.05 -0.19 0.00 -0.03 0.00 0.00 54.58 52.31 2knb n ASN 58 Cb 0.05 -0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2knb n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2knb n ASP 60 N -1.54 4.12 -4.57 0.00 5.75 -1.26 -4.84 116.55 114.21 2knb n ASP 60 Ca 0.06 -2.64 -0.42 0.00 -0.01 0.00 0.00 54.79 51.79 2knb n ASP 60 Cb 0.62 -0.75 -0.07 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.16 4.26 0.00 -2.12 1.43 -1.26 -5.04 118.68 114.79 2knb s LEU 61 Ca 0.20 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2knb s LEU 61 Cb 0.16 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2knb s LEU 61 CO 0.02 -0.60 0.00 -1.84 0.23 0.00 0.00 176.35 174.17 2knb n GLU 62 N 6.05 1.30 -1.91 1.70 0.28 -1.26 -4.82 120.64 121.99 2knb n GLU 62 Ca -0.01 -2.10 -0.42 0.00 -0.16 0.00 0.00 57.16 54.47 2knb n GLU 62 Cb 0.49 0.56 -0.02 0.00 1.43 0.00 0.00 31.44 33.89 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 -3.04 4.20 -0.91 3.44 2.00 -1.26 -2.77 119.66 121.33 2knb s GLN 63 Ca 0.00 2.41 0.00 0.00 -2.00 0.00 0.00 55.36 55.77 2knb s GLN 63 Cb -0.00 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.71 2knb s GLN 63 CO 0.00 -0.57 0.00 1.04 -0.50 0.00 0.00 175.29 175.27 2knb n GLN 64 N 3.06 -0.77 -3.35 1.67 6.02 -0.32 -5.02 117.38 118.68 2knb n GLN 64 Ca 0.11 0.59 -0.34 0.00 -0.01 0.00 0.00 57.00 57.34 2knb n GLN 64 Cb 0.38 -4.60 -0.06 0.00 1.02 0.00 0.00 30.24 26.98 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 -2.65 6.75 -0.08 1.08 0.01 -1.11 -4.87 113.70 112.83 2knb s SER 65 Ca 0.00 1.05 -0.01 0.00 1.31 0.00 0.00 55.95 58.30 2knb s SER 65 Cb 0.00 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2knb s SER 65 CO 0.00 -0.01 -0.04 -0.51 0.41 0.00 0.00 173.24 173.10 2knb s ILE 66 N -1.67 3.99 0.10 1.44 2.07 -1.26 -0.47 121.20 125.40 2knb s ILE 66 Ca 0.44 -0.37 0.06 0.00 -1.41 0.00 0.00 60.65 59.37 2knb s ILE 66 Cb -0.13 -2.65 -0.03 0.00 0.13 0.00 0.00 42.46 39.77 2knb s ILE 66 CO 0.20 0.60 -0.16 0.68 -1.91 0.00 0.00 174.94 174.35 2knb s VAL 67 N -0.81 1.36 -0.35 4.00 -7.23 0.13 -4.71 120.40 112.79 2knb s VAL 67 Ca 0.12 -1.56 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2knb s VAL 67 Cb -0.11 -1.40 0.05 0.00 0.56 0.00 0.00 36.38 35.47 2knb s VAL 67 CO 0.02 -0.28 0.13 -2.28 -0.31 0.00 0.00 175.10 172.38 2knb s HIS 68 N -1.66 3.28 -0.23 2.82 2.46 0.59 -0.87 115.29 121.68 2knb s HIS 68 Ca 0.05 -1.44 -0.05 0.00 0.47 0.00 0.00 55.06 54.09 2knb s HIS 68 Cb -0.08 -2.40 -0.02 0.00 -0.13 0.00 0.00 32.58 29.96 2knb s HIS 68 CO 0.03 -0.75 -0.00 0.42 -2.47 0.00 0.00 174.74 171.97 2knb s ILE 69 N 1.41 3.71 0.10 0.89 1.01 0.44 -0.15 121.20 128.61 2knb s ILE 69 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2knb s ILE 69 Cb -0.20 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2knb s ILE 69 CO 0.03 0.40 0.04 0.68 0.00 0.00 0.00 174.94 176.09 2knb s VAL 70 N 1.48 0.15 -0.38 2.92 -7.23 -0.71 -3.84 120.40 112.78 2knb s VAL 70 Ca 0.06 -1.81 -0.27 0.00 -1.81 0.00 0.00 61.98 58.15 2knb s VAL 70 Cb -0.15 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.01 2knb s VAL 70 CO -0.01 -0.67 0.98 -1.58 -0.31 0.00 0.00 175.10 173.51 2knb s GLN 71 N -3.99 3.85 -0.43 4.82 0.74 -1.26 -0.58 119.66 122.82 2knb s GLN 71 Ca 0.16 0.64 -0.19 0.00 0.05 0.00 0.00 55.36 56.03 2knb s GLN 71 Cb 0.07 -3.81 0.02 0.00 1.10 0.00 0.00 33.01 30.39 2knb s GLN 71 CO -0.03 -1.01 0.53 0.50 -0.55 0.00 0.00 175.29 174.72 2knb s ARG 72 N 3.66 3.20 0.57 1.67 3.52 0.12 -4.95 118.95 126.72 2knb s ARG 72 Ca 0.41 -0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 55.26 2knb s ARG 72 Cb -0.11 -3.95 -0.05 0.00 -1.56 0.00 0.00 34.95 29.28 2knb s ARG 72 CO 0.20 -0.91 1.11 -1.25 -0.81 0.00 0.00 175.30 173.64 2knb s PRO 73 N 2.44 3.27 -0.03 5.12 0.04 -1.26 -4.79 135.00 139.79 2knb s PRO 73 Ca 0.17 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2knb s PRO 73 Cb -0.16 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2knb s PRO 73 CO 0.16 -0.90 -0.04 -0.65 0.04 0.00 0.00 177.00 175.61 2knb s GLN 74 N -3.52 0.59 -0.38 4.56 -1.52 -1.26 -5.12 119.66 113.01 2knb s GLN 74 Ca 0.70 -0.10 -0.06 0.00 -1.95 0.00 0.00 55.36 53.96 2knb s GLN 74 Cb -0.22 -0.62 0.07 0.00 -0.22 0.00 0.00 33.01 32.02 2knb s GLN 74 CO 0.30 -0.02 0.16 1.03 -0.25 0.00 0.00 175.29 176.51 2knb s ARG 75 N 0.59 2.42 0.00 2.91 0.52 -1.26 -5.26 118.95 118.86 2knb s ARG 75 Ca -0.07 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 2knb s ARG 75 Cb -0.10 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2knb s ARG 75 CO -0.00 -0.86 0.20 1.63 0.02 0.00 0.00 175.30 176.29