#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 3.53 0.03 2.02 -1.09 -1.26 -0.18 121.20 124.25 2knb s ILE 2 Ca 0.00 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 57.98 2knb s ILE 2 Cb 0.00 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.32 2knb s ILE 2 CO 0.00 0.49 -0.11 0.68 -1.23 0.00 0.00 174.94 174.77 2knb s VAL 3 N 0.56 0.89 -0.32 2.92 -7.23 -0.91 -0.69 120.40 115.62 2knb s VAL 3 Ca -0.05 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.12 2knb s VAL 3 Cb -0.15 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 2knb s VAL 3 CO 0.03 -0.04 0.31 -0.36 -0.31 0.00 0.00 175.10 174.74 2knb s PHE 4 N -0.81 3.22 -0.28 2.82 0.08 0.14 -0.03 117.98 123.12 2knb s PHE 4 Ca -0.00 0.03 -0.17 0.00 0.12 0.00 0.00 56.93 56.90 2knb s PHE 4 Cb -0.07 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2knb s PHE 4 CO 0.01 -0.34 0.48 0.08 -0.10 0.00 0.00 175.22 175.34 2knb s VAL 5 N 1.93 5.09 -0.31 -0.44 1.01 0.30 -0.69 120.40 127.28 2knb s VAL 5 Ca 0.10 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 2knb s VAL 5 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2knb s VAL 5 CO 0.11 0.04 0.18 -0.60 0.00 0.00 0.00 175.10 174.83 2knb s ARG 6 N 2.26 3.50 -0.65 2.72 3.52 0.97 -1.68 118.95 129.59 2knb s ARG 6 Ca 0.19 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 2knb s ARG 6 Cb -0.16 -3.64 0.17 0.00 -1.56 0.00 0.00 34.95 29.76 2knb s ARG 6 CO 0.10 -0.37 0.47 0.12 -0.81 0.00 0.00 175.30 174.81 2knb s PHE 7 N 1.67 3.43 -1.39 5.12 5.36 -1.26 -0.22 117.98 130.69 2knb s PHE 7 Ca 0.06 -2.70 -0.04 0.00 -0.96 0.00 0.00 56.93 53.29 2knb s PHE 7 Cb -0.17 -3.23 0.02 0.00 -0.34 0.00 0.00 43.02 39.30 2knb s PHE 7 CO 0.08 -0.84 0.30 -1.71 -1.46 0.00 0.00 175.22 171.59 2knb n ASN 8 N 3.44 -4.87 -1.59 6.13 5.15 -1.26 -4.93 115.26 117.34 2knb n ASN 8 Ca 0.09 -0.13 -0.04 0.00 -0.60 0.00 0.00 54.58 53.90 2knb n ASN 8 Cb 0.38 -4.02 -0.02 0.00 -0.53 0.00 0.00 39.78 35.59 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 -2.17 0.18 -0.00 1.20 2.88 -1.26 -5.08 113.62 109.36 2knb n SER 9 Ca -0.12 -1.44 -0.20 0.00 -1.33 0.00 0.00 58.87 55.78 2knb n SER 9 Cb 0.61 0.30 -0.14 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.51 1.95 -2.93 -3.46 3.41 -1.26 -4.98 113.62 103.84 2knb n SER 10 Ca 0.01 0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.77 2knb n SER 10 Cb 0.12 -0.73 0.03 0.00 -0.26 0.00 0.00 64.21 63.36 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 -3.41 -2.87 -3.68 7.33 0.18 -1.26 -5.07 117.16 108.37 2knb n TYR 11 Ca -0.31 -0.66 -0.14 0.00 1.88 0.00 0.00 57.90 58.67 2knb n TYR 11 Cb 1.05 -0.19 -0.08 0.00 -0.38 0.00 0.00 39.34 39.73 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 -2.94 -0.33 -0.12 -7.48 0.00 -1.26 -4.42 107.32 90.77 2knb s GLY 12 Ca 0.20 0.92 -0.13 0.00 0.00 0.00 0.00 44.72 45.71 2knb s GLY 12 CO 0.13 0.68 0.30 -0.11 0.00 0.00 0.00 173.10 174.10 2knb s PHE 13 N -0.76 3.53 -0.06 1.90 -0.12 -0.68 -4.65 117.98 117.15 2knb s PHE 13 Ca -0.08 0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 2knb s PHE 13 Cb -0.03 -2.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.04 2knb s PHE 13 CO 0.04 0.38 1.20 -1.25 -0.05 0.00 0.00 175.22 175.55 2knb s PRO 14 N -0.03 4.35 -0.06 1.99 0.04 -1.25 -0.54 135.00 139.50 2knb s PRO 14 Ca 0.18 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.93 2knb s PRO 14 Cb -0.14 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 2knb s PRO 14 CO 0.06 -0.46 -0.18 0.08 0.04 0.00 0.00 177.00 176.53 2knb s VAL 15 N 2.28 2.68 -0.47 -0.36 1.01 0.96 -4.89 120.40 121.61 2knb s VAL 15 Ca 0.56 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2knb s VAL 15 Cb -0.24 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2knb s VAL 15 CO 0.21 0.58 0.90 -0.70 0.00 0.00 0.00 175.10 176.09 2knb s GLU 16 N -0.46 3.48 0.44 2.72 2.56 -1.26 -2.14 118.70 124.04 2knb s GLU 16 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.97 55.11 2knb s GLU 16 Cb -0.12 -3.95 -0.05 0.00 2.00 0.00 0.00 34.13 32.02 2knb s GLU 16 CO 0.01 -1.24 0.02 0.14 -0.56 0.00 0.00 175.26 173.64 2knb s VAL 17 N 3.68 1.50 0.35 3.70 -7.23 0.75 -4.88 120.40 118.27 2knb s VAL 17 Ca 0.35 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.60 2knb s VAL 17 Cb -0.11 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.15 2knb s VAL 17 CO 0.25 0.00 -0.08 1.51 -0.31 0.00 0.00 175.10 176.47 2knb s ASP 18 N -3.75 3.68 0.52 4.85 -4.77 -1.26 0.59 116.67 116.53 2knb s ASP 18 Ca 0.23 -1.22 0.18 0.00 -3.30 0.00 0.00 52.55 48.44 2knb s ASP 18 Cb 0.06 -0.34 1.30 0.00 -1.09 0.00 0.00 42.92 42.84 2knb s ASP 18 CO 0.12 -0.25 2.10 0.28 0.70 0.00 0.00 175.17 178.12 2knb h SER 19 N 2.00 0.01 -0.15 2.11 0.02 -1.98 -0.81 113.55 114.76 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 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2knb h SER 19 CO 0.72 0.01 0.00 -0.67 -1.14 0.00 0.00 176.83 175.75 2knb n ASP 20 N -4.49 1.95 -4.71 3.07 2.03 -1.26 -0.76 116.55 112.37 2knb n ASP 20 Ca 0.01 -1.72 -0.42 0.00 0.52 0.00 0.00 54.79 53.18 2knb n ASP 20 Cb 0.24 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.82 3.00 0.27 5.18 2.01 -0.31 -4.78 115.64 119.20 2knb s THR 21 Ca 0.34 0.69 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 2knb s THR 21 Cb 0.19 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 2knb s THR 21 CO 0.29 0.05 0.70 -0.44 -0.69 0.00 0.00 174.62 174.53 2knb s SER 22 N 1.27 6.86 0.36 3.53 0.01 -1.26 -1.29 113.70 123.17 2knb s SER 22 Ca 0.68 1.28 0.10 0.00 1.31 0.00 0.00 55.95 59.32 2knb s SER 22 Cb -0.40 -2.37 0.86 0.00 0.21 0.00 0.00 66.02 64.32 2knb s SER 22 CO 0.31 -0.10 1.86 0.40 0.41 0.00 0.00 173.24 176.12 2knb h ILE 23 N 2.28 0.80 -0.72 1.44 1.08 -0.97 -0.47 117.51 120.94 2knb h ILE 23 Ca -0.48 -0.22 0.11 0.00 -0.39 0.00 0.00 64.86 63.87 2knb h ILE 23 Cb 1.18 0.09 -0.08 0.00 -3.07 0.00 0.00 36.82 34.95 2knb h ILE 23 CO 0.66 0.12 0.34 0.15 -0.69 0.00 0.00 178.15 178.72 2knb h PHE 24 N 0.65 0.60 0.16 1.37 3.57 -1.67 -1.16 116.94 120.46 2knb h PHE 24 Ca 0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.98 2knb h PHE 24 Cb 0.80 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2knb h PHE 24 CO -0.00 0.18 -0.08 1.96 -2.23 0.00 0.00 178.31 178.14 2knb h GLN 25 N 0.55 -0.21 -0.49 1.11 4.20 -1.39 -1.05 115.11 117.83 2knb h GLN 25 Ca 0.37 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.18 2knb h GLN 25 Cb 0.44 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2knb h GLN 25 CO -0.30 -0.11 0.33 1.25 -0.67 0.00 0.00 178.83 179.33 2knb h LEU 26 N -0.26 0.23 -0.30 1.46 5.85 -1.26 -0.53 115.31 120.50 2knb h LEU 26 Ca -0.02 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 2knb h LEU 26 Cb 0.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2knb h LEU 26 CO 0.04 0.14 -0.64 0.50 -0.34 0.00 0.00 178.44 178.14 2knb h LYS 27 N 0.25 0.75 -0.28 1.25 3.64 -0.69 -2.99 116.57 118.51 2knb h LYS 27 Ca 0.23 -0.53 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2knb h LYS 27 Cb 0.56 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2knb h LYS 27 CO -0.05 1.15 0.19 0.93 -2.27 0.00 0.00 179.45 179.41 2knb h GLU 28 N 0.55 0.22 -0.89 1.90 5.08 0.20 -0.51 114.58 121.13 2knb h GLU 28 Ca -0.01 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2knb h GLU 28 Cb 1.24 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2knb h GLU 28 CO 0.13 0.15 0.58 0.28 -1.00 0.00 0.00 179.01 179.15 2knb h VAL 29 N 0.23 1.19 0.07 3.13 2.07 -1.27 -1.51 116.25 120.15 2knb h VAL 29 Ca 0.12 -0.40 -0.27 0.00 0.82 0.00 0.00 66.70 66.97 2knb h VAL 29 Cb 0.20 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2knb h VAL 29 CO -0.02 0.21 -1.38 0.58 0.02 0.00 0.00 177.57 176.98 2knb h VAL 30 N 1.16 1.31 0.08 2.57 2.07 -1.45 -3.17 116.25 118.81 2knb h VAL 30 Ca 0.34 -2.99 0.02 0.00 0.82 0.00 0.00 66.70 64.89 2knb h VAL 30 Cb -0.07 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2knb h VAL 30 CO -0.09 0.82 -0.20 0.00 0.02 0.00 0.00 177.57 178.12 2knb h ALA 31 N 0.71 -0.31 0.00 1.67 0.00 -0.76 0.11 119.26 120.68 2knb h ALA 31 Ca -0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2knb h ALA 31 Cb 1.95 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 2knb h ALA 31 CO 0.15 -0.71 -0.08 1.57 0.00 0.00 0.00 179.25 180.18 2knb h LYS 32 N -0.36 0.00 0.12 0.00 2.10 -1.42 0.51 116.57 117.52 2knb h LYS 32 Ca 0.04 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.53 2knb h LYS 32 Cb 0.39 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.74 2knb h LYS 32 CO -0.13 0.08 -0.69 -0.09 -2.00 0.00 0.00 179.45 176.62 2knb h ARG 33 N 0.00 0.25 0.00 0.07 2.43 -1.34 -3.36 114.38 112.44 2knb h ARG 33 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2knb h ARG 33 Cb 0.65 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2knb h ARG 33 CO 0.01 1.21 -0.91 1.04 -1.51 0.00 0.00 179.97 179.81 2knb n GLN 34 N -4.20 0.11 -2.81 0.20 1.13 0.31 -4.97 117.38 107.15 2knb n GLN 34 Ca -0.13 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 54.85 2knb n GLN 34 Cb 0.77 -1.53 0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 1.45 0.48 3.19 1.08 0.00 0.12 -5.04 105.19 106.47 2knb n GLY 35 Ca 0.03 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.10 2.10 -0.15 1.61 1.01 -0.86 -5.05 120.40 115.96 2knb s VAL 36 Ca 0.17 -0.98 -0.39 0.00 0.00 0.00 0.00 61.98 60.78 2knb s VAL 36 Cb -0.07 -1.83 -0.16 0.00 0.00 0.00 0.00 36.38 34.32 2knb s VAL 36 CO 0.22 0.55 1.62 -2.65 0.00 0.00 0.00 175.10 174.85 2knb n PRO 37 N 3.92 1.20 0.24 2.72 -0.02 -1.26 -4.43 135.00 137.37 2knb n PRO 37 Ca -0.20 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2knb n PRO 37 Cb 0.52 -2.12 0.80 0.00 -0.02 0.00 0.00 33.50 32.68 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 6.45 1.82 0.00 3.55 0.00 -1.92 -0.65 119.26 128.51 2knb h ALA 38 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2knb h ALA 38 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2knb h ALA 38 CO 0.90 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 2knb n ASP 39 N -4.08 0.42 -0.35 0.00 5.75 -1.26 -2.16 116.55 114.87 2knb n ASP 39 Ca -0.01 0.61 0.05 0.00 -0.01 0.00 0.00 54.79 55.44 2knb n ASP 39 Cb 0.19 -0.70 0.02 0.00 -1.03 0.00 0.00 41.12 39.61 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 -1.98 1.26 -3.30 0.11 6.02 -0.26 -4.98 117.38 114.25 2knb n GLN 40 Ca 0.02 -0.91 -0.38 0.00 -0.01 0.00 0.00 57.00 55.72 2knb n GLN 40 Cb 0.19 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.28 4.49 0.12 1.08 1.43 -0.92 -0.25 118.68 123.37 2knb s LEU 41 Ca 0.11 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2knb s LEU 41 Cb 0.09 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2knb s LEU 41 CO 0.20 0.25 -0.22 -0.13 0.23 0.00 0.00 176.35 176.68 2knb s ARG 42 N -1.25 1.23 -0.23 1.70 1.81 0.62 -4.88 118.95 117.95 2knb s ARG 42 Ca 0.30 -1.26 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 2knb s ARG 42 Cb -0.19 -1.54 0.04 0.00 -0.45 0.00 0.00 34.95 32.82 2knb s ARG 42 CO 0.19 0.35 -0.12 0.08 -0.68 0.00 0.00 175.30 175.12 2knb s VAL 43 N -1.27 2.37 -0.17 3.52 1.01 -1.26 -1.75 120.40 122.85 2knb s VAL 43 Ca 0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 2knb s VAL 43 Cb -0.09 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2knb s VAL 43 CO 0.05 0.22 -0.12 -0.63 0.00 0.00 0.00 175.10 174.63 2knb s ILE 44 N 1.23 2.97 -0.15 2.22 1.01 0.82 -0.48 121.20 128.82 2knb s ILE 44 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2knb s ILE 44 Cb -0.17 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.05 2knb s ILE 44 CO -0.07 0.49 -0.11 0.12 0.00 0.00 0.00 174.94 175.37 2knb s PHE 45 N 0.86 2.06 -1.42 3.97 5.36 0.13 -0.85 117.98 128.09 2knb s PHE 45 Ca -0.03 -1.20 -0.06 0.00 -0.96 0.00 0.00 56.93 54.68 2knb s PHE 45 Cb -0.15 -1.52 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 2knb s PHE 45 CO 0.00 -0.65 0.78 0.00 -1.46 0.00 0.00 175.22 173.88 2knb n ALA 46 N 4.79 -1.71 -0.99 11.12 0.00 -1.26 -0.79 120.51 131.67 2knb n ALA 46 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2knb n ALA 46 Cb 0.49 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.04 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 -1.66 0.42 2.99 0.00 0.00 -1.26 -5.00 105.19 100.68 2knb n GLY 47 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.40 2.06 -0.14 1.61 1.02 0.03 -5.10 119.74 118.82 2knb s LYS 48 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 2knb s LYS 48 Cb 0.00 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2knb s LYS 48 CO 0.00 -0.22 1.21 -1.21 -0.92 0.00 0.00 175.35 174.21 2knb s GLU 49 N 1.47 4.27 -0.00 1.68 2.02 -1.26 0.21 118.70 127.09 2knb s GLU 49 Ca 0.03 1.62 -0.24 0.00 0.02 0.00 0.00 54.97 56.40 2knb s GLU 49 Cb -0.13 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 2knb s GLU 49 CO -0.09 -0.62 0.73 -0.51 0.02 0.00 0.00 175.26 174.80 2knb s LEU 50 N 3.08 4.40 0.21 1.80 1.43 0.37 -4.96 118.68 125.01 2knb s LEU 50 Ca 0.53 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 2knb s LEU 50 Cb -0.21 -3.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 2knb s LEU 50 CO 0.15 -0.03 1.31 -1.10 0.23 0.00 0.00 176.35 176.92 2knb s GLN 51 N 0.27 4.38 0.62 1.70 -0.21 -1.26 -4.60 119.66 120.56 2knb s GLN 51 Ca 0.38 2.08 0.32 0.00 0.02 0.00 0.00 55.36 58.16 2knb s GLN 51 Cb -0.19 -3.18 1.80 0.00 1.00 0.00 0.00 33.01 32.43 2knb s GLN 51 CO 0.21 -0.25 2.12 -0.91 -2.12 0.00 0.00 175.29 174.34 2knb h ASN 52 N 5.17 0.00 0.17 5.90 -0.26 -1.95 -0.05 115.58 124.56 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 0.76 0.00 -0.09 1.41 -1.06 0.00 0.00 177.43 178.45 2knb n HIS 53 N -3.52 0.00 -3.03 1.19 8.25 -1.26 -2.00 115.22 114.85 2knb n HIS 53 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2knb n HIS 53 Cb 0.29 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.27 4.00 0.28 2.41 1.43 -0.03 -4.89 118.68 119.62 2knb s LEU 54 Ca 0.34 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.85 2knb s LEU 54 Cb 0.20 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2knb s LEU 54 CO 0.43 -0.26 0.22 0.42 0.23 0.00 0.00 176.35 177.38 2knb s THR 55 N -2.08 4.05 0.17 5.49 -4.23 -1.26 -0.79 115.64 116.99 2knb s THR 55 Ca 0.55 -1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.49 2knb s THR 55 Cb -0.10 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.52 2knb s THR 55 CO 0.18 -0.28 1.72 0.58 -0.54 0.00 0.00 174.62 176.28 2knb h VAL 56 N 1.42 0.77 0.00 2.29 2.07 -1.03 -0.44 116.25 121.33 2knb h VAL 56 Ca -0.47 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2knb h VAL 56 Cb 1.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2knb h VAL 56 CO 0.60 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.23 2knb n GLN 57 N -5.11 0.98 -0.10 1.57 10.64 0.06 -2.77 117.38 122.65 2knb n GLN 57 Ca 0.03 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.23 2knb n GLN 57 Cb 0.19 -1.30 0.04 0.00 -0.86 0.00 0.00 30.24 28.32 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 -0.19 1.42 -0.92 2.61 3.02 -0.18 -5.07 115.26 115.95 2knb n ASN 58 Ca 0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 2knb n ASN 58 Cb 0.15 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.17 3.05 -4.81 0.00 8.00 -1.26 -4.86 116.55 114.48 2knb n ASP 60 Ca 0.00 -2.18 -0.38 0.00 0.71 0.00 0.00 54.79 52.95 2knb n ASP 60 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.50 2knb n ASP 60 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2knb s LEU 61 N -0.36 4.41 0.00 0.64 1.43 -1.26 -5.07 118.68 118.47 2knb s LEU 61 Ca 0.06 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2knb s LEU 61 Cb 0.05 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2knb s LEU 61 CO 0.01 0.27 0.37 -1.84 0.23 0.00 0.00 176.35 175.40 2knb n GLU 62 N 2.30 0.54 -1.76 1.70 0.28 -1.26 -4.79 120.64 117.65 2knb n GLU 62 Ca -0.14 -2.39 -0.42 0.00 -0.16 0.00 0.00 57.16 54.06 2knb n GLU 62 Cb 0.53 2.23 -0.03 0.00 1.43 0.00 0.00 31.44 35.60 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 -2.74 4.13 -0.75 3.44 2.00 -1.26 -3.27 119.66 121.21 2knb s GLN 63 Ca 0.26 2.57 -0.04 0.00 -2.00 0.00 0.00 55.36 56.15 2knb s GLN 63 Cb -0.00 -3.07 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 2knb s GLN 63 CO 0.18 -0.71 0.66 1.04 -0.50 0.00 0.00 175.29 175.97 2knb n GLN 64 N 3.59 -1.60 -4.70 1.67 6.02 0.13 -5.01 117.38 117.48 2knb n GLN 64 Ca 0.14 0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 57.50 2knb n GLN 64 Cb 0.36 -4.68 -0.13 0.00 1.02 0.00 0.00 30.24 26.81 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 -3.25 3.85 -0.18 1.08 0.01 -1.20 -4.97 113.70 109.04 2knb s SER 65 Ca 0.31 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 57.13 2knb s SER 65 Cb -0.04 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2knb s SER 65 CO 0.54 0.27 0.04 -0.51 0.41 0.00 0.00 173.24 173.99 2knb s ILE 66 N -0.89 4.53 0.03 1.44 2.07 -1.26 0.25 121.20 127.36 2knb s ILE 66 Ca 0.14 -0.13 0.07 0.00 -1.41 0.00 0.00 60.65 59.33 2knb s ILE 66 Cb -0.11 -3.04 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 2knb s ILE 66 CO 0.05 0.46 -0.21 0.68 -1.91 0.00 0.00 174.94 174.00 2knb s VAL 67 N 0.50 1.72 -0.32 4.00 -7.23 0.13 -4.65 120.40 114.56 2knb s VAL 67 Ca 0.02 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.97 2knb s VAL 67 Cb -0.13 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.35 2knb s VAL 67 CO 0.01 0.30 0.11 -2.28 -0.31 0.00 0.00 175.10 172.93 2knb s HIS 68 N -0.72 3.18 -0.37 2.82 2.46 -0.03 -0.02 115.29 122.62 2knb s HIS 68 Ca 0.08 -1.01 -0.06 0.00 0.47 0.00 0.00 55.06 54.54 2knb s HIS 68 Cb -0.09 -2.29 0.07 0.00 -0.13 0.00 0.00 32.58 30.14 2knb s HIS 68 CO 0.01 -0.60 0.15 0.42 -2.47 0.00 0.00 174.74 172.26 2knb s ILE 69 N 1.50 3.67 0.21 0.89 1.01 0.70 -0.13 121.20 129.05 2knb s ILE 69 Ca 0.02 -1.46 0.10 0.00 0.00 0.00 0.00 60.65 59.31 2knb s ILE 69 Cb -0.18 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2knb s ILE 69 CO 0.04 -0.38 -0.19 0.68 0.00 0.00 0.00 174.94 175.09 2knb s VAL 70 N 1.32 2.11 -0.20 2.92 -7.23 -0.71 -4.02 120.40 114.60 2knb s VAL 70 Ca 0.01 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 57.80 2knb s VAL 70 Cb -0.21 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 2knb s VAL 70 CO 0.00 -0.36 0.74 -1.58 -0.31 0.00 0.00 175.10 173.59 2knb s GLN 71 N -3.18 4.24 -0.24 4.82 0.74 -1.26 -0.28 119.66 124.50 2knb s GLN 71 Ca 0.23 0.82 -0.16 0.00 0.05 0.00 0.00 55.36 56.30 2knb s GLN 71 Cb -0.05 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2knb s GLN 71 CO 0.10 -0.32 0.39 0.50 -0.55 0.00 0.00 175.29 175.41 2knb s ARG 72 N 2.16 4.09 0.13 1.67 3.52 0.66 -4.95 118.95 126.24 2knb s ARG 72 Ca 0.33 0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 55.76 2knb s ARG 72 Cb -0.16 -3.60 -0.07 0.00 -1.56 0.00 0.00 34.95 29.56 2knb s ARG 72 CO 0.11 -0.17 1.29 -1.25 -0.81 0.00 0.00 175.30 174.46 2knb s PRO 73 N 1.74 4.39 -0.19 5.12 0.04 -1.26 -4.81 135.00 140.03 2knb s PRO 73 Ca 0.17 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2knb s PRO 73 Cb -0.15 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.16 2knb s PRO 73 CO 0.09 -0.29 -0.15 -1.14 0.04 0.00 0.00 177.00 175.55 2knb s GLN 74 N 0.60 2.48 0.19 4.56 0.74 -1.26 -5.12 119.66 121.85 2knb s GLN 74 Ca 0.59 -0.85 0.05 0.00 0.05 0.00 0.00 55.36 55.20 2knb s GLN 74 Cb -0.34 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 2knb s GLN 74 CO 0.33 -0.32 0.21 1.03 -0.55 0.00 0.00 175.29 175.98 2knb s ARG 75 N 1.33 3.09 0.00 1.67 0.52 -1.26 -5.23 118.95 119.07 2knb s ARG 75 Ca 0.01 -0.83 0.10 0.00 -0.52 0.00 0.00 55.73 54.49 2knb s ARG 75 Cb -0.15 -2.73 0.08 0.00 0.52 0.00 0.00 34.95 32.67 2knb s ARG 75 CO -0.10 0.47 0.82 1.17 0.02 0.00 0.00 175.30 177.68