#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 5.02 0.03 2.02 -1.09 -1.26 -0.43 121.20 125.48 2knb s ILE 2 Ca 0.00 1.26 0.07 0.00 -2.23 0.00 0.00 60.65 59.76 2knb s ILE 2 Cb 0.00 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2knb s ILE 2 CO 0.00 0.13 -0.21 0.68 -1.23 0.00 0.00 174.94 174.31 2knb s VAL 3 N 1.72 1.70 -0.37 2.92 -7.23 -0.49 -0.65 120.40 118.01 2knb s VAL 3 Ca 0.31 -1.13 -0.18 0.00 -1.81 0.00 0.00 61.98 59.17 2knb s VAL 3 Cb -0.16 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2knb s VAL 3 CO 0.12 0.29 0.50 -0.36 -0.31 0.00 0.00 175.10 175.33 2knb s PHE 4 N -0.72 3.17 -0.23 2.82 0.08 0.51 -0.03 117.98 123.58 2knb s PHE 4 Ca 0.08 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 2knb s PHE 4 Cb -0.09 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2knb s PHE 4 CO 0.01 -0.58 0.28 0.08 -0.10 0.00 0.00 175.22 174.91 2knb s VAL 5 N 2.35 5.27 -0.14 -0.44 1.01 0.15 -0.39 120.40 128.22 2knb s VAL 5 Ca 0.17 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.60 2knb s VAL 5 Cb -0.16 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 2knb s VAL 5 CO 0.14 0.28 -0.18 -0.60 0.00 0.00 0.00 175.10 174.74 2knb s ARG 6 N 1.30 3.17 -0.46 2.72 3.52 -0.55 -0.93 118.95 127.72 2knb s ARG 6 Ca 0.13 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2knb s ARG 6 Cb -0.14 -2.53 0.12 0.00 -1.56 0.00 0.00 34.95 30.84 2knb s ARG 6 CO 0.07 0.07 0.22 0.12 -0.81 0.00 0.00 175.30 174.96 2knb s PHE 7 N 0.66 3.50 -1.40 5.12 5.36 -1.26 0.45 117.98 130.42 2knb s PHE 7 Ca -0.09 -2.85 -0.10 0.00 -0.96 0.00 0.00 56.93 52.93 2knb s PHE 7 Cb -0.16 -3.03 0.07 0.00 -0.34 0.00 0.00 43.02 39.56 2knb s PHE 7 CO 0.02 -0.88 0.62 -1.71 -1.46 0.00 0.00 175.22 171.82 2knb n ASN 8 N 3.88 -4.34 -1.25 6.13 5.15 -1.22 -4.93 115.26 118.68 2knb n ASN 8 Ca 0.04 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 2knb n ASN 8 Cb 0.38 -3.54 0.00 0.00 -0.53 0.00 0.00 39.78 36.09 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 -2.45 0.82 -0.11 1.20 2.88 -1.26 -5.09 113.62 109.61 2knb n SER 9 Ca -0.01 -0.89 -0.24 0.00 -1.33 0.00 0.00 58.87 56.40 2knb n SER 9 Cb 0.55 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.94 1.91 -1.82 -3.46 3.41 -1.26 -5.00 113.62 105.45 2knb n SER 10 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2knb n SER 10 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 -4.29 -2.78 -3.67 7.33 0.18 -1.26 -5.09 117.16 107.58 2knb n TYR 11 Ca -0.38 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.25 2knb n TYR 11 Cb 0.77 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.65 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 -2.01 -0.34 -0.07 -7.48 0.00 -1.26 -4.52 107.32 91.63 2knb s GLY 12 Ca 0.00 0.90 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 2knb s GLY 12 CO 0.00 0.64 0.37 -0.11 0.00 0.00 0.00 173.10 174.00 2knb s PHE 13 N -0.92 3.61 -0.03 1.90 -0.12 -0.11 -4.69 117.98 117.62 2knb s PHE 13 Ca -0.10 0.83 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 2knb s PHE 13 Cb -0.03 -2.32 -0.04 0.00 -0.63 0.00 0.00 43.02 40.00 2knb s PHE 13 CO 0.05 0.47 1.24 -1.25 -0.05 0.00 0.00 175.22 175.68 2knb s PRO 14 N -0.38 4.35 -0.06 1.99 0.04 -1.26 -0.67 135.00 139.00 2knb s PRO 14 Ca 0.22 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.05 2knb s PRO 14 Cb -0.15 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2knb s PRO 14 CO 0.10 -0.45 -0.21 0.08 0.04 0.00 0.00 177.00 176.56 2knb s VAL 15 N 2.12 2.47 -0.42 -0.36 1.01 0.96 -4.92 120.40 121.26 2knb s VAL 15 Ca 0.58 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.40 2knb s VAL 15 Cb -0.27 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2knb s VAL 15 CO 0.24 0.57 0.84 -0.70 0.00 0.00 0.00 175.10 176.04 2knb s GLU 16 N -0.30 3.59 0.39 2.72 2.56 -1.26 -1.40 118.70 125.00 2knb s GLU 16 Ca 0.01 0.16 0.04 0.00 0.00 0.00 0.00 54.97 55.18 2knb s GLU 16 Cb -0.13 -3.88 -0.06 0.00 2.00 0.00 0.00 34.13 32.06 2knb s GLU 16 CO 0.03 -1.05 0.05 0.14 -0.56 0.00 0.00 175.26 173.86 2knb s VAL 17 N 3.37 1.34 0.45 3.70 -7.23 0.43 -4.90 120.40 117.57 2knb s VAL 17 Ca 0.33 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 2knb s VAL 17 Cb -0.12 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 2knb s VAL 17 CO 0.21 0.00 0.06 1.51 -0.31 0.00 0.00 175.10 176.58 2knb s ASP 18 N -3.62 4.11 0.41 4.85 -4.77 -1.26 0.46 116.67 116.85 2knb s ASP 18 Ca 0.30 -1.41 0.11 0.00 -3.30 0.00 0.00 52.55 48.25 2knb s ASP 18 Cb 0.07 -0.04 0.87 0.00 -1.09 0.00 0.00 42.92 42.74 2knb s ASP 18 CO 0.14 -0.65 1.95 0.77 0.70 0.00 0.00 175.17 178.08 2knb h SER 19 N 1.49 0.15 0.18 2.11 4.64 -1.97 -2.33 113.55 117.82 2knb h SER 19 Ca -0.43 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2knb h SER 19 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2knb h SER 19 CO 0.75 0.30 -0.09 -0.67 -0.87 0.00 0.00 176.83 176.25 2knb n ASP 20 N -4.30 0.79 -4.71 4.97 2.03 -1.26 -1.00 116.55 113.07 2knb n ASP 20 Ca -0.01 -0.95 -0.42 0.00 0.52 0.00 0.00 54.79 53.92 2knb n ASP 20 Cb 0.25 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 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 -2.28 2.70 0.36 5.18 2.01 -0.88 -4.77 115.64 117.96 2knb s THR 21 Ca 0.33 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.65 2knb s THR 21 Cb 0.20 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 2knb s THR 21 CO 0.43 0.02 0.73 -0.44 -0.69 0.00 0.00 174.62 174.67 2knb s SER 22 N 1.50 6.60 0.21 3.53 0.01 -1.26 -1.13 113.70 123.16 2knb s SER 22 Ca 0.71 1.13 -0.09 0.00 1.31 0.00 0.00 55.95 59.02 2knb s SER 22 Cb -0.43 -2.32 0.23 0.00 0.21 0.00 0.00 66.02 63.71 2knb s SER 22 CO 0.32 -0.30 1.83 0.40 0.41 0.00 0.00 173.24 175.90 2knb h ILE 23 N 1.45 1.04 -0.84 1.44 1.08 -0.94 -1.88 117.51 118.85 2knb h ILE 23 Ca -0.47 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 63.77 2knb h ILE 23 Cb 1.18 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 2knb h ILE 23 CO 0.65 0.15 0.55 0.15 -0.69 0.00 0.00 178.15 178.96 2knb h PHE 24 N 0.81 0.97 -0.37 1.37 3.57 -1.79 -2.07 116.94 119.43 2knb h PHE 24 Ca 0.30 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2knb h PHE 24 Cb 0.10 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2knb h PHE 24 CO -0.05 0.53 0.10 1.96 -2.23 0.00 0.00 178.31 178.61 2knb h GLN 25 N 0.97 0.59 -0.10 1.11 4.20 -1.67 -1.46 115.11 118.74 2knb h GLN 25 Ca 0.35 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2knb h GLN 25 Cb 0.16 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2knb h GLN 25 CO -0.12 0.62 0.08 1.25 -0.67 0.00 0.00 178.83 180.00 2knb h LEU 26 N 0.45 0.00 -0.13 1.46 5.85 -1.00 -0.70 115.31 121.24 2knb h LEU 26 Ca 0.12 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.60 2knb h LEU 26 Cb 0.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.33 2knb h LEU 26 CO -0.00 0.00 -0.93 0.11 -0.34 0.00 0.00 178.44 177.28 2knb h LYS 27 N 0.00 0.61 -0.80 1.25 1.57 -0.73 -3.14 116.57 115.32 2knb h LYS 27 Ca 0.05 -0.60 0.07 0.00 -1.87 0.00 0.00 60.65 58.30 2knb h LYS 27 Cb 0.22 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2knb h LYS 27 CO -0.00 1.21 0.53 0.93 -0.57 0.00 0.00 179.45 181.55 2knb h GLU 28 N 0.37 0.82 -0.89 3.15 5.08 -0.13 0.24 114.58 123.22 2knb h GLU 28 Ca -0.09 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2knb h GLU 28 Cb 1.56 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 2knb h GLU 28 CO 0.18 0.54 0.59 0.28 -1.00 0.00 0.00 179.01 179.59 2knb h VAL 29 N 0.84 1.22 0.22 3.13 2.07 -1.43 -0.41 116.25 121.89 2knb h VAL 29 Ca 0.35 -0.41 -0.32 0.00 0.82 0.00 0.00 66.70 67.15 2knb h VAL 29 Cb 0.29 -0.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2knb h VAL 29 CO -0.13 0.22 -1.41 0.58 0.02 0.00 0.00 177.57 176.85 2knb h VAL 30 N 1.19 1.34 -0.29 2.57 2.07 -1.26 -3.09 116.25 118.78 2knb h VAL 30 Ca 0.33 -2.80 0.02 0.00 0.82 0.00 0.00 66.70 65.07 2knb h VAL 30 Cb -0.12 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2knb h VAL 30 CO -0.08 0.83 0.14 0.00 0.02 0.00 0.00 177.57 178.49 2knb h ALA 31 N 0.28 0.35 0.00 1.67 0.00 -0.11 0.13 119.26 121.59 2knb h ALA 31 Ca -0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2knb h ALA 31 Cb 2.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 2knb h ALA 31 CO 0.26 -0.25 -0.04 1.57 0.00 0.00 0.00 179.25 180.79 2knb h LYS 32 N 0.30 0.00 0.15 0.00 2.10 -1.20 0.13 116.57 118.04 2knb h LYS 32 Ca 0.12 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.43 2knb h LYS 32 Cb 0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2knb h LYS 32 CO -0.09 0.04 -1.72 -0.09 -2.00 0.00 0.00 179.45 175.59 2knb h ARG 33 N 0.00 0.31 0.00 0.07 2.43 -1.26 -3.38 114.38 112.56 2knb h ARG 33 Ca -0.00 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2knb h ARG 33 Cb 0.63 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2knb h ARG 33 CO 0.01 1.20 -1.30 1.04 -1.51 0.00 0.00 179.97 179.40 2knb n GLN 34 N -3.51 0.36 -2.68 0.20 1.13 0.39 -4.99 117.38 108.29 2knb n GLN 34 Ca -0.23 -0.05 -0.06 0.00 -1.94 0.00 0.00 57.00 54.72 2knb n GLN 34 Cb 1.06 -1.57 0.03 0.00 0.11 0.00 0.00 30.24 29.87 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 1.35 0.39 3.38 1.08 0.00 0.42 -5.06 105.19 106.75 2knb n GLY 35 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 2knb n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2knb s VAL 36 N -3.10 1.77 0.05 1.61 -7.23 -1.00 -5.06 120.40 107.43 2knb s VAL 36 Ca 0.11 -2.20 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 2knb s VAL 36 Cb -0.05 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.63 2knb s VAL 36 CO 0.22 -0.48 1.36 -2.84 -0.31 0.00 0.00 175.10 173.04 2knb s PRO 37 N -3.66 4.32 0.49 4.82 0.02 -1.26 -4.63 135.00 135.10 2knb s PRO 37 Ca 0.25 1.96 0.25 0.00 0.02 0.00 0.00 61.00 63.49 2knb s PRO 37 Cb 0.00 -3.43 1.28 0.00 0.02 0.00 0.00 34.50 32.38 2knb s PRO 37 CO 0.09 -0.47 2.00 0.00 -0.33 0.00 0.00 177.00 178.29 2knb h ALA 38 N 7.31 1.25 0.00 -1.55 0.00 -1.93 -1.54 119.26 122.80 2knb h ALA 38 Ca -0.40 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2knb h ALA 38 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2knb h ALA 38 CO 0.87 0.20 0.00 0.38 0.00 0.00 0.00 179.25 180.71 2knb h ASP 39 N 0.00 0.00 -0.41 0.00 2.03 -1.99 -2.40 116.42 113.65 2knb h ASP 39 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2knb h ASP 39 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 2knb h ASP 39 CO 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.23 2knb n GLN 40 N -2.39 3.02 -4.01 4.15 6.02 -0.58 -4.96 117.38 118.62 2knb n GLN 40 Ca 0.02 -2.41 -0.36 0.00 -0.01 0.00 0.00 57.00 54.24 2knb n GLN 40 Cb 0.26 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.53 4.04 0.01 1.08 1.43 -0.90 0.72 118.68 123.54 2knb s LEU 41 Ca 0.34 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2knb s LEU 41 Cb 0.21 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2knb s LEU 41 CO 0.17 0.32 -0.19 -0.13 0.23 0.00 0.00 176.35 176.75 2knb s ARG 42 N -0.51 1.43 -0.21 1.70 1.81 -0.43 -4.91 118.95 117.83 2knb s ARG 42 Ca 0.11 -0.79 -0.03 0.00 -1.72 0.00 0.00 55.73 53.30 2knb s ARG 42 Cb -0.12 -1.45 -0.01 0.00 -0.45 0.00 0.00 34.95 32.93 2knb s ARG 42 CO 0.02 0.38 -0.07 0.08 -0.68 0.00 0.00 175.30 175.04 2knb s VAL 43 N -0.62 3.21 -0.06 3.52 1.01 -1.26 -1.56 120.40 124.64 2knb s VAL 43 Ca 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2knb s VAL 43 Cb -0.08 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2knb s VAL 43 CO 0.00 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 174.70 2knb s ILE 44 N 1.36 1.84 -0.04 2.22 1.01 0.34 -0.38 121.20 127.54 2knb s ILE 44 Ca 0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2knb s ILE 44 Cb -0.14 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.80 2knb s ILE 44 CO -0.04 0.51 0.09 0.12 0.00 0.00 0.00 174.94 175.62 2knb s PHE 45 N -0.02 -0.06 -1.46 3.97 5.36 0.45 -1.27 117.98 124.95 2knb s PHE 45 Ca -0.06 0.31 -0.09 0.00 -0.96 0.00 0.00 56.93 56.13 2knb s PHE 45 Cb -0.14 -0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.38 2knb s PHE 45 CO 0.04 -0.14 0.84 0.00 -1.46 0.00 0.00 175.22 174.50 2knb n ALA 46 N 4.35 -1.15 -1.23 11.12 0.00 -1.26 -0.89 120.51 131.45 2knb n ALA 46 Ca -0.24 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2knb n ALA 46 Cb 0.51 -4.33 -0.03 0.00 0.00 0.00 0.00 19.45 15.59 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 -1.65 0.99 3.01 0.00 0.00 -1.26 -5.00 105.19 101.27 2knb n GLY 47 Ca -0.03 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.56 1.91 -0.25 1.61 1.02 -0.06 -5.10 119.74 116.30 2knb s LYS 48 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 2knb s LYS 48 Cb 0.00 -1.70 0.01 0.00 -0.52 0.00 0.00 37.83 35.62 2knb s LYS 48 CO 0.00 -0.11 1.11 -2.00 -0.92 0.00 0.00 175.35 173.43 2knb s GLU 49 N 1.13 4.16 0.11 1.68 2.12 -1.26 -0.41 118.70 126.23 2knb s GLU 49 Ca -0.05 1.31 -0.30 0.00 0.36 0.00 0.00 54.97 56.29 2knb s GLU 49 Cb -0.14 -3.71 -0.06 0.00 0.26 0.00 0.00 34.13 30.48 2knb s GLU 49 CO -0.03 -0.77 0.98 -0.51 -0.54 0.00 0.00 175.26 174.40 2knb s LEU 50 N 3.50 4.49 0.21 2.70 1.43 0.48 -4.99 118.68 126.50 2knb s LEU 50 Ca 0.47 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 2knb s LEU 50 Cb -0.15 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2knb s LEU 50 CO 0.12 -0.10 1.10 -1.10 0.23 0.00 0.00 176.35 176.60 2knb s GLN 51 N 0.02 4.61 0.66 1.70 -0.21 -1.26 -4.55 119.66 120.62 2knb s GLN 51 Ca 0.48 1.75 0.37 0.00 0.02 0.00 0.00 55.36 57.98 2knb s GLN 51 Cb -0.24 -3.25 2.05 0.00 1.00 0.00 0.00 33.01 32.58 2knb s GLN 51 CO 0.30 0.11 2.18 -0.91 -2.12 0.00 0.00 175.29 174.86 2knb h ASN 52 N 4.70 0.00 -0.05 5.90 2.35 -1.95 -0.34 115.58 126.19 2knb h ASN 52 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2knb h ASN 52 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2knb h ASN 52 CO 0.71 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.90 2knb n HIS 53 N -3.12 0.06 -3.23 1.19 8.25 -1.26 -2.89 115.22 114.22 2knb n HIS 53 Ca -0.02 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 2knb n HIS 53 Cb 0.21 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.86 3.98 0.37 2.41 1.43 -0.14 -4.92 118.68 119.94 2knb s LEU 54 Ca 0.37 0.69 0.08 0.00 -1.03 0.00 0.00 54.13 54.25 2knb s LEU 54 Cb 0.20 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 2knb s LEU 54 CO 0.31 -0.28 0.06 0.42 0.23 0.00 0.00 176.35 177.09 2knb s THR 55 N -2.25 2.45 0.22 5.49 -4.23 -1.26 -0.57 115.64 115.50 2knb s THR 55 Ca 0.44 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2knb s THR 55 Cb -0.10 -2.89 0.17 0.00 1.34 0.00 0.00 72.50 71.02 2knb s THR 55 CO 0.34 -0.11 1.81 0.58 -0.54 0.00 0.00 174.62 176.70 2knb h VAL 56 N 1.69 0.97 0.00 2.29 2.07 -0.99 -0.17 116.25 122.11 2knb h VAL 56 Ca -0.43 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2knb h VAL 56 Cb 1.25 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2knb h VAL 56 CO 0.70 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.42 2knb n GLN 57 N -4.76 0.16 -0.47 1.57 10.64 -0.17 -2.78 117.38 121.57 2knb n GLN 57 Ca 0.10 0.14 0.05 0.00 -1.83 0.00 0.00 57.00 55.46 2knb n GLN 57 Cb 0.19 -1.50 0.21 0.00 -0.86 0.00 0.00 30.24 28.28 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 -1.37 2.92 -3.24 2.61 2.85 -0.09 -5.01 115.26 113.92 2knb n ASN 58 Ca 0.07 -3.33 -0.17 0.00 -0.11 0.00 0.00 54.58 51.04 2knb n ASN 58 Cb 0.18 -0.54 -0.05 0.00 1.24 0.00 0.00 39.78 40.60 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 -1.51 3.23 -4.72 0.00 8.00 -1.26 -4.85 116.55 115.44 2knb n ASP 60 Ca 0.03 -2.15 -0.37 0.00 0.71 0.00 0.00 54.79 53.02 2knb n ASP 60 Cb 0.62 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.25 4.22 0.00 0.64 1.43 -1.26 -5.07 118.68 118.40 2knb s LEU 61 Ca 0.04 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2knb s LEU 61 Cb 0.04 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 2knb s LEU 61 CO 0.01 0.07 0.04 -1.84 0.23 0.00 0.00 176.35 174.86 2knb n GLU 62 N 3.74 0.62 -1.71 1.70 0.28 -1.26 -4.84 120.64 119.18 2knb n GLU 62 Ca -0.11 -0.79 -0.42 0.00 -0.16 0.00 0.00 57.16 55.67 2knb n GLU 62 Cb 0.52 0.49 -0.03 0.00 1.43 0.00 0.00 31.44 33.85 2knb n GLU 62 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2knb n GLN 63 N -0.19 2.80 -1.46 3.44 -0.06 -1.26 -2.17 117.38 118.47 2knb n GLN 63 Ca -0.00 1.01 -0.10 0.00 -2.00 0.00 0.00 57.00 55.91 2knb n GLN 63 Cb 0.14 -2.88 -0.03 0.00 -4.06 0.00 0.00 30.24 23.41 2knb n GLN 63 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2knb n GLN 64 N 4.53 -0.70 -2.52 3.69 6.02 0.18 -4.99 117.38 123.59 2knb n GLN 64 Ca 0.17 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.52 2knb n GLN 64 Cb 0.36 -4.71 -0.04 0.00 1.02 0.00 0.00 30.24 26.87 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 -2.83 7.30 -0.14 1.08 0.01 -0.92 -4.73 113.70 113.46 2knb s SER 65 Ca 0.00 2.13 -0.07 0.00 1.31 0.00 0.00 55.95 59.32 2knb s SER 65 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2knb s SER 65 CO 0.00 -0.17 0.10 -0.51 0.41 0.00 0.00 173.24 173.07 2knb s ILE 66 N -0.59 5.15 0.13 1.44 2.07 -1.26 -0.37 121.20 127.77 2knb s ILE 66 Ca 0.47 0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.85 2knb s ILE 66 Cb -0.30 -3.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 2knb s ILE 66 CO 0.36 0.55 -0.13 0.68 -1.91 0.00 0.00 174.94 174.50 2knb s VAL 67 N -0.48 1.29 -0.22 4.00 -7.23 0.48 -4.82 120.40 113.41 2knb s VAL 67 Ca 0.11 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2knb s VAL 67 Cb -0.12 -1.59 0.03 0.00 0.56 0.00 0.00 36.38 35.27 2knb s VAL 67 CO 0.02 -0.49 -0.14 -2.28 -0.31 0.00 0.00 175.10 171.90 2knb s HIS 68 N -2.40 2.98 -0.33 2.82 2.46 -0.40 -1.48 115.29 118.94 2knb s HIS 68 Ca 0.10 -1.77 -0.07 0.00 0.47 0.00 0.00 55.06 53.79 2knb s HIS 68 Cb -0.03 -1.96 0.03 0.00 -0.13 0.00 0.00 32.58 30.49 2knb s HIS 68 CO 0.03 -0.80 0.11 0.42 -2.47 0.00 0.00 174.74 172.03 2knb s ILE 69 N 1.26 3.87 0.13 0.89 1.01 0.17 -0.50 121.20 128.02 2knb s ILE 69 Ca 0.00 -1.04 0.09 0.00 0.00 0.00 0.00 60.65 59.70 2knb s ILE 69 Cb -0.16 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2knb s ILE 69 CO -0.09 -0.14 -0.16 0.68 0.00 0.00 0.00 174.94 175.23 2knb s VAL 70 N 1.43 2.91 -0.25 2.92 -7.23 -0.60 -3.45 120.40 116.13 2knb s VAL 70 Ca -0.01 -1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 2knb s VAL 70 Cb -0.19 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2knb s VAL 70 CO 0.03 0.06 0.99 -1.58 -0.31 0.00 0.00 175.10 174.29 2knb s GLN 71 N -2.27 4.21 -0.34 4.82 -0.44 -1.26 -1.31 119.66 123.06 2knb s GLN 71 Ca 0.19 1.21 -0.09 0.00 -2.50 0.00 0.00 55.36 54.17 2knb s GLN 71 Cb -0.10 -3.65 0.02 0.00 -1.64 0.00 0.00 33.01 27.63 2knb s GLN 71 CO 0.11 -0.64 0.16 0.50 0.50 0.00 0.00 175.29 175.92 2knb s ARG 72 N 3.16 2.91 0.66 1.67 3.52 0.22 -4.98 118.95 126.11 2knb s ARG 72 Ca 0.42 -1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 2knb s ARG 72 Cb -0.15 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2knb s ARG 72 CO 0.08 -0.61 1.05 -1.25 -0.81 0.00 0.00 175.30 173.76 2knb s PRO 73 N 1.52 3.18 -0.13 5.12 0.04 -1.26 -4.67 135.00 138.80 2knb s PRO 73 Ca 0.02 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2knb s PRO 73 Cb -0.19 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2knb s PRO 73 CO 0.05 -0.81 -0.19 -1.14 0.04 0.00 0.00 177.00 174.95 2knb s GLN 74 N -5.25 2.70 -0.41 4.56 -0.44 -1.26 -5.09 119.66 114.47 2knb s GLN 74 Ca 0.56 -0.74 -0.25 0.00 -2.50 0.00 0.00 55.36 52.44 2knb s GLN 74 Cb -0.11 -2.22 0.02 0.00 -1.64 0.00 0.00 33.01 29.06 2knb s GLN 74 CO 0.52 -0.04 0.88 1.03 0.50 0.00 0.00 175.29 178.19 2knb s ARG 75 N 0.90 3.67 0.00 1.67 1.81 -1.26 -5.28 118.95 120.46 2knb s ARG 75 Ca -0.07 0.31 0.04 0.00 -1.72 0.00 0.00 55.73 54.30 2knb s ARG 75 Cb -0.15 -3.86 0.03 0.00 -0.45 0.00 0.00 34.95 30.52 2knb s ARG 75 CO -0.02 -1.04 0.62 1.63 -0.68 0.00 0.00 175.30 175.81