#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 2.88 0.09 2.02 -1.09 -1.26 0.07 121.20 123.91 2knb s ILE 2 Ca 0.00 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2knb s ILE 2 Cb 0.00 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2knb s ILE 2 CO 0.00 0.54 -0.12 0.68 -1.23 0.00 0.00 174.94 174.81 2knb s VAL 3 N 0.21 1.03 -0.32 2.92 -7.23 -0.90 -0.45 120.40 115.67 2knb s VAL 3 Ca -0.09 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 2knb s VAL 3 Cb -0.16 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2knb s VAL 3 CO 0.06 -0.41 0.23 -0.36 -0.31 0.00 0.00 175.10 174.31 2knb s PHE 4 N -1.91 3.23 -0.18 2.82 0.08 0.15 -0.26 117.98 121.91 2knb s PHE 4 Ca 0.02 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 2knb s PHE 4 Cb -0.06 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 2knb s PHE 4 CO 0.01 -0.29 0.23 0.08 -0.10 0.00 0.00 175.22 175.15 2knb s VAL 5 N 1.76 5.34 -0.19 -0.44 1.01 0.28 -0.27 120.40 127.89 2knb s VAL 5 Ca 0.07 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2knb s VAL 5 Cb -0.17 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2knb s VAL 5 CO 0.11 0.40 -0.18 -0.60 0.00 0.00 0.00 175.10 174.83 2knb s ARG 6 N 0.46 2.81 -0.76 2.72 3.52 -0.09 -0.89 118.95 126.72 2knb s ARG 6 Ca 0.13 -0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 2knb s ARG 6 Cb -0.12 -2.55 0.20 0.00 -1.56 0.00 0.00 34.95 30.92 2knb s ARG 6 CO 0.02 -0.26 0.64 0.12 -0.81 0.00 0.00 175.30 175.01 2knb s PHE 7 N 1.30 3.63 -1.32 5.12 5.36 -1.25 0.33 117.98 131.14 2knb s PHE 7 Ca 0.03 -2.45 -0.09 0.00 -0.96 0.00 0.00 56.93 53.47 2knb s PHE 7 Cb -0.14 -3.49 0.06 0.00 -0.34 0.00 0.00 43.02 39.11 2knb s PHE 7 CO -0.12 -0.90 0.51 -1.71 -1.46 0.00 0.00 175.22 171.54 2knb n ASN 8 N 3.54 -4.02 -1.43 6.13 5.15 -1.24 -4.93 115.26 118.45 2knb n ASN 8 Ca 0.12 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 2knb n ASN 8 Cb 0.42 -3.31 0.00 0.00 -0.53 0.00 0.00 39.78 36.35 2knb n ASN 8 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2knb n SER 9 N -2.32 1.91 -0.12 1.20 7.64 -1.26 -5.09 113.62 115.58 2knb n SER 9 Ca -0.03 -0.73 -0.26 0.00 1.01 0.00 0.00 58.87 58.86 2knb n SER 9 Cb 0.55 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.65 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2knb n SER 10 N -0.79 1.91 -1.66 6.43 3.41 -1.26 -5.02 113.62 116.64 2knb n SER 10 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2knb n SER 10 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 -4.34 -2.42 -3.92 7.33 4.11 -1.26 -5.08 117.16 111.58 2knb n TYR 11 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.38 2knb n TYR 11 Cb 0.79 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 40.04 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 -1.80 0.18 -0.13 -7.48 0.00 -1.26 -4.47 107.32 92.35 2knb s GLY 12 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2knb s GLY 12 CO 0.00 -0.85 0.06 -0.11 0.00 0.00 0.00 173.10 172.20 2knb s PHE 13 N -3.48 3.30 0.06 1.90 -0.71 -0.06 -4.72 117.98 114.26 2knb s PHE 13 Ca 0.02 0.22 -0.31 0.00 -1.04 0.00 0.00 56.93 55.83 2knb s PHE 13 Cb 0.04 -1.94 -0.06 0.00 -1.21 0.00 0.00 43.02 39.85 2knb s PHE 13 CO -0.09 0.41 1.25 -2.14 -1.34 0.00 0.00 175.22 173.31 2knb s PRO 14 N -0.44 4.39 -0.07 1.99 0.02 -1.25 -0.56 135.00 139.09 2knb s PRO 14 Ca 0.10 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.00 2knb s PRO 14 Cb -0.12 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 2knb s PRO 14 CO 0.02 -0.33 -0.22 0.08 -0.33 0.00 0.00 177.00 176.22 2knb s VAL 15 N 1.26 1.81 -0.41 3.83 1.01 0.64 -4.91 120.40 123.63 2knb s VAL 15 Ca 0.60 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 2knb s VAL 15 Cb -0.31 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2knb s VAL 15 CO 0.29 0.51 1.00 -0.70 0.00 0.00 0.00 175.10 176.20 2knb s GLU 16 N 0.09 3.77 0.34 2.72 2.56 -1.26 -2.12 118.70 124.81 2knb s GLU 16 Ca -0.09 0.55 0.06 0.00 0.00 0.00 0.00 54.97 55.50 2knb s GLU 16 Cb -0.14 -3.85 -0.07 0.00 2.00 0.00 0.00 34.13 32.07 2knb s GLU 16 CO 0.05 -1.12 0.01 0.14 -0.56 0.00 0.00 175.26 173.78 2knb s VAL 17 N 3.83 1.60 0.43 3.70 -7.23 0.11 -4.92 120.40 117.92 2knb s VAL 17 Ca 0.42 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 2knb s VAL 17 Cb -0.10 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 2knb s VAL 17 CO 0.23 -0.08 0.01 1.51 -0.31 0.00 0.00 175.10 176.47 2knb s ASP 18 N -3.55 3.96 0.39 4.85 -4.77 -1.26 0.56 116.67 116.84 2knb s ASP 18 Ca 0.34 -1.43 0.08 0.00 -3.30 0.00 0.00 52.55 48.24 2knb s ASP 18 Cb 0.08 -0.18 0.84 0.00 -1.09 0.00 0.00 42.92 42.57 2knb s ASP 18 CO 0.16 -0.55 1.99 0.28 0.70 0.00 0.00 175.17 177.75 2knb h SER 19 N 1.66 0.54 -0.35 2.11 0.02 -1.98 -1.27 113.55 114.28 2knb h SER 19 Ca -0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2knb h SER 19 Cb 1.26 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2knb h SER 19 CO 0.79 0.36 0.00 -0.67 -1.14 0.00 0.00 176.83 176.17 2knb n ASP 20 N -4.47 2.21 -4.68 3.07 2.03 -1.26 -0.75 116.55 112.69 2knb n ASP 20 Ca 0.08 -1.91 -0.42 0.00 0.52 0.00 0.00 54.79 53.06 2knb n ASP 20 Cb 0.22 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.54 3.43 0.32 5.18 2.01 -0.48 -4.79 115.64 119.77 2knb s THR 21 Ca 0.31 0.74 -0.04 0.00 0.31 0.00 0.00 61.69 63.01 2knb s THR 21 Cb 0.16 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2knb s THR 21 CO 0.23 -0.02 0.59 -0.94 -0.69 0.00 0.00 174.62 173.78 2knb s SER 22 N 2.56 6.41 0.28 3.53 1.04 -1.26 -1.44 113.70 124.82 2knb s SER 22 Ca 0.71 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.86 2knb s SER 22 Cb -0.35 -2.15 0.54 0.00 0.10 0.00 0.00 66.02 64.17 2knb s SER 22 CO 0.29 -0.26 1.83 0.40 0.98 0.00 0.00 173.24 176.48 2knb h ILE 23 N 1.13 0.90 -0.57 -1.02 1.08 -0.91 -1.45 117.51 116.66 2knb h ILE 23 Ca -0.48 -0.32 0.12 0.00 -0.39 0.00 0.00 64.86 63.78 2knb h ILE 23 Cb 1.20 -0.13 -0.10 0.00 -3.07 0.00 0.00 36.82 34.72 2knb h ILE 23 CO 0.65 0.17 -0.01 0.15 -0.69 0.00 0.00 178.15 178.42 2knb h PHE 24 N 0.94 -0.06 -0.02 1.37 3.04 -1.78 -0.60 116.94 119.83 2knb h PHE 24 Ca 0.49 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.48 2knb h PHE 24 Cb 0.51 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 2knb h PHE 24 CO -0.01 -0.15 0.01 1.96 -2.02 0.00 0.00 178.31 178.09 2knb h GLN 25 N 0.11 0.03 -0.42 1.11 4.20 -1.60 -1.58 115.11 116.95 2knb h GLN 25 Ca 0.29 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.08 2knb h GLN 25 Cb 0.46 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2knb h GLN 25 CO -0.50 0.13 0.29 1.25 -0.67 0.00 0.00 178.83 179.34 2knb h LEU 26 N -0.08 0.22 -0.24 1.46 5.85 -1.12 -1.16 115.31 120.24 2knb h LEU 26 Ca 0.01 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2knb h LEU 26 Cb 0.11 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2knb h LEU 26 CO -0.00 0.14 -0.25 0.11 -0.34 0.00 0.00 178.44 178.10 2knb h LYS 27 N 0.25 0.59 -0.22 1.25 1.57 -0.61 -2.99 116.57 116.42 2knb h LYS 27 Ca 0.19 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2knb h LYS 27 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2knb h LYS 27 CO -0.04 0.91 0.14 0.93 -0.57 0.00 0.00 179.45 180.83 2knb h GLU 28 N 0.30 0.22 -0.64 3.15 5.08 -0.26 0.59 114.58 123.02 2knb h GLU 28 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2knb h GLU 28 Cb 0.81 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2knb h GLU 28 CO 0.06 0.15 0.36 0.28 -1.00 0.00 0.00 179.01 178.86 2knb h VAL 29 N 0.23 1.20 0.07 3.13 2.07 -1.23 -2.13 116.25 119.59 2knb h VAL 29 Ca 0.09 -0.48 -0.24 0.00 0.82 0.00 0.00 66.70 66.88 2knb h VAL 29 Cb 0.07 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2knb h VAL 29 CO -0.02 0.21 -1.08 0.58 0.02 0.00 0.00 177.57 177.28 2knb h VAL 30 N 0.87 1.49 -0.39 2.57 2.07 -1.31 -3.12 116.25 118.43 2knb h VAL 30 Ca 0.23 -2.84 0.05 0.00 0.82 0.00 0.00 66.70 64.95 2knb h VAL 30 Cb 0.02 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2knb h VAL 30 CO -0.04 0.83 0.13 0.00 0.02 0.00 0.00 177.57 178.51 2knb h ALA 31 N 0.72 0.45 0.00 1.67 0.00 -0.61 0.34 119.26 121.82 2knb h ALA 31 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2knb h ALA 31 Cb 1.77 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2knb h ALA 31 CO 0.18 -0.27 0.00 1.57 0.00 0.00 0.00 179.25 180.73 2knb h LYS 32 N 0.28 0.00 0.12 0.00 5.09 -1.49 0.32 116.57 120.89 2knb h LYS 32 Ca 0.18 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.61 2knb h LYS 32 Cb 0.17 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 2knb h LYS 32 CO -0.19 0.00 -1.53 -0.09 -2.09 0.00 0.00 179.45 175.54 2knb h ARG 33 N 0.00 0.26 0.00 0.07 2.43 -1.20 -3.37 114.38 112.56 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 0.69 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2knb h ARG 33 CO 0.00 1.12 -1.68 1.04 -1.51 0.00 0.00 179.97 178.94 2knb n GLN 34 N -3.46 0.60 -2.46 0.20 1.13 0.00 -5.01 117.38 108.38 2knb n GLN 34 Ca -0.17 -0.14 -0.03 0.00 -1.94 0.00 0.00 57.00 54.73 2knb n GLN 34 Cb 1.04 -1.39 0.01 0.00 0.11 0.00 0.00 30.24 30.02 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 1.53 0.60 3.17 1.08 0.00 0.11 -5.07 105.19 106.61 2knb n GLY 35 Ca -0.03 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.04 1.56 0.06 1.61 1.01 -0.86 -5.05 120.40 115.69 2knb s VAL 36 Ca 0.05 -0.80 -0.36 0.00 0.00 0.00 0.00 61.98 60.87 2knb s VAL 36 Cb -0.02 -1.32 -0.15 0.00 0.00 0.00 0.00 36.38 34.88 2knb s VAL 36 CO 0.10 0.44 1.49 -2.65 0.00 0.00 0.00 175.10 174.48 2knb n PRO 37 N 3.00 1.53 0.18 2.72 -0.02 -1.26 -4.46 135.00 136.69 2knb n PRO 37 Ca -0.17 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2knb n PRO 37 Cb 0.53 -2.25 0.58 0.00 -0.02 0.00 0.00 33.50 32.34 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 5.53 1.00 0.00 3.55 0.00 -1.93 -2.17 119.26 125.24 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 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2knb h ALA 38 CO 0.84 0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.47 2knb h ASP 39 N 0.00 0.00 0.00 0.00 3.04 -1.99 -3.21 116.42 114.27 2knb h ASP 39 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 2knb h ASP 39 Cb 0.35 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.62 2knb h ASP 39 CO 0.00 0.00 -1.97 0.00 -2.04 0.00 0.00 179.24 175.23 2knb n GLN 40 N -2.31 0.88 -2.14 4.15 6.02 -0.82 -4.98 117.38 118.17 2knb n GLN 40 Ca 0.04 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 2knb n GLN 40 Cb 0.35 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 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 -4.70 4.35 0.08 1.08 1.43 -1.17 -0.67 118.68 119.08 2knb s LEU 41 Ca -0.07 2.62 0.07 0.00 -1.03 0.00 0.00 54.13 55.71 2knb s LEU 41 Cb 0.09 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2knb s LEU 41 CO 0.72 -0.61 -0.18 -0.13 0.23 0.00 0.00 176.35 176.39 2knb s ARG 42 N -1.95 1.02 -0.20 1.70 1.81 0.77 -4.87 118.95 117.23 2knb s ARG 42 Ca 0.52 -1.02 -0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2knb s ARG 42 Cb -0.38 -1.15 0.01 0.00 -0.45 0.00 0.00 34.95 32.99 2knb s ARG 42 CO 0.50 0.27 -0.14 0.08 -0.68 0.00 0.00 175.30 175.32 2knb s VAL 43 N -1.13 2.47 -0.07 3.52 1.01 -1.26 -1.58 120.40 123.36 2knb s VAL 43 Ca 0.03 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.20 2knb s VAL 43 Cb -0.10 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2knb s VAL 43 CO 0.03 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.72 2knb s ILE 44 N 1.33 1.96 -0.04 2.22 1.01 -0.40 -0.22 121.20 127.05 2knb s ILE 44 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2knb s ILE 44 Cb -0.14 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.69 2knb s ILE 44 CO -0.10 0.54 -0.03 0.12 0.00 0.00 0.00 174.94 175.48 2knb s PHE 45 N 0.01 0.64 -1.51 3.97 5.36 0.47 -1.08 117.98 125.84 2knb s PHE 45 Ca -0.08 -0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 55.60 2knb s PHE 45 Cb -0.15 -0.62 0.09 0.00 -0.34 0.00 0.00 43.02 42.01 2knb s PHE 45 CO 0.05 -0.19 0.81 0.00 -1.46 0.00 0.00 175.22 174.44 2knb n ALA 46 N 4.14 -1.20 -1.19 11.12 0.00 -1.26 -0.17 120.51 131.95 2knb n ALA 46 Ca -0.24 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2knb n ALA 46 Cb 0.51 -3.88 -0.03 0.00 0.00 0.00 0.00 19.45 16.05 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 0.88 3.00 0.00 0.00 -1.26 -5.01 105.19 101.29 2knb n GLY 47 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.44 1.89 -0.00 1.61 1.02 0.76 -5.11 119.74 117.47 2knb s LYS 48 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 2knb s LYS 48 Cb 0.00 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2knb s LYS 48 CO 0.00 -0.13 1.23 -1.21 -0.92 0.00 0.00 175.35 174.32 2knb s GLU 49 N 1.20 4.37 -0.16 1.68 2.02 -1.26 -0.40 118.70 126.15 2knb s GLU 49 Ca -0.03 1.75 -0.18 0.00 0.02 0.00 0.00 54.97 56.53 2knb s GLU 49 Cb -0.14 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2knb s GLU 49 CO -0.04 -0.39 0.48 -0.51 0.02 0.00 0.00 175.26 174.83 2knb s LEU 50 N 1.78 4.21 0.30 1.80 1.43 0.69 -4.96 118.68 123.94 2knb s LEU 50 Ca 0.58 0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 2knb s LEU 50 Cb -0.27 -2.67 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 2knb s LEU 50 CO 0.25 -0.07 1.16 -1.10 0.23 0.00 0.00 176.35 176.82 2knb s GLN 51 N 1.08 4.53 0.54 1.70 -0.21 -1.26 -4.52 119.66 121.52 2knb s GLN 51 Ca 0.24 1.92 0.35 0.00 0.02 0.00 0.00 55.36 57.89 2knb s GLN 51 Cb -0.15 -3.13 1.53 0.00 1.00 0.00 0.00 33.01 32.26 2knb s GLN 51 CO 0.10 0.08 1.83 -0.91 -2.12 0.00 0.00 175.29 174.26 2knb h ASN 52 N 3.63 0.01 0.13 5.90 4.21 -1.96 0.20 115.58 127.69 2knb h ASN 52 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2knb h ASN 52 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2knb h ASN 52 CO 0.66 0.00 -0.03 1.57 -1.29 0.00 0.00 177.43 178.35 2knb n HIS 53 N -4.21 0.00 -2.91 1.19 -0.00 -1.26 -2.66 115.22 105.36 2knb n HIS 53 Ca 0.23 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.04 2knb n HIS 53 Cb 1.16 -0.06 -0.06 0.00 -0.12 0.00 0.00 29.99 30.90 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 -2.15 4.40 0.30 0.27 1.43 0.69 -4.89 118.68 118.73 2knb s LEU 54 Ca 0.40 1.68 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2knb s LEU 54 Cb 0.21 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2knb s LEU 54 CO 0.39 0.03 0.06 0.42 0.23 0.00 0.00 176.35 177.48 2knb s THR 55 N -1.48 3.27 0.21 5.49 -4.23 -1.26 -0.65 115.64 116.98 2knb s THR 55 Ca 0.45 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 2knb s THR 55 Cb -0.19 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.87 2knb s THR 55 CO 0.24 -0.29 1.82 0.58 -0.54 0.00 0.00 174.62 176.43 2knb h VAL 56 N 1.73 1.01 0.00 2.29 2.07 -1.09 -0.96 116.25 121.30 2knb h VAL 56 Ca -0.44 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2knb h VAL 56 Cb 1.25 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2knb h VAL 56 CO 0.62 0.13 0.00 0.00 0.02 0.00 0.00 177.57 178.34 2knb n GLN 57 N -4.76 0.84 -0.66 1.57 10.64 0.07 -2.86 117.38 122.23 2knb n GLN 57 Ca 0.08 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.25 2knb n GLN 57 Cb 0.14 -1.31 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 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 -0.07 0.14 -0.92 2.61 3.02 -0.38 -5.10 115.26 114.56 2knb n ASN 58 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 2knb n ASN 58 Cb 0.16 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 -2.47 3.65 -4.74 0.00 8.00 -1.26 -4.91 116.55 114.83 2knb n ASP 60 Ca 0.00 -3.10 -0.37 0.00 0.71 0.00 0.00 54.79 52.02 2knb n ASP 60 Cb 0.00 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.30 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 -2.34 4.29 0.00 0.64 1.43 -1.26 -5.06 118.68 116.38 2knb s LEU 61 Ca 0.41 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 2knb s LEU 61 Cb 0.34 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 2knb s LEU 61 CO 0.08 0.07 0.11 -1.84 0.23 0.00 0.00 176.35 175.00 2knb n GLU 62 N 3.42 0.35 -1.85 1.70 0.28 -1.26 -4.86 120.64 118.41 2knb n GLU 62 Ca -0.09 -1.51 -0.42 0.00 -0.16 0.00 0.00 57.16 54.97 2knb n GLU 62 Cb 0.52 1.12 -0.03 0.00 1.43 0.00 0.00 31.44 34.48 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 -2.63 4.18 -0.51 3.44 2.00 -1.26 -2.26 119.66 122.62 2knb s GLN 63 Ca 0.16 2.45 0.00 0.00 -2.00 0.00 0.00 55.36 55.96 2knb s GLN 63 Cb 0.01 -3.33 0.00 0.00 0.80 0.00 0.00 33.01 30.48 2knb s GLN 63 CO 0.11 -0.71 0.00 1.04 -0.50 0.00 0.00 175.29 175.23 2knb n GLN 64 N 4.71 -0.33 -2.75 1.67 6.02 0.41 -5.02 117.38 122.09 2knb n GLN 64 Ca 0.15 0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 57.47 2knb n GLN 64 Cb 0.38 -4.37 -0.06 0.00 1.02 0.00 0.00 30.24 27.21 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 -2.95 6.93 -0.07 1.08 0.01 -0.96 -4.75 113.70 112.98 2knb s SER 65 Ca 0.00 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2knb s SER 65 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2knb s SER 65 CO 0.00 -0.37 -0.06 -0.51 0.41 0.00 0.00 173.24 172.71 2knb s ILE 66 N -1.99 3.79 0.07 1.44 2.07 -1.26 0.30 121.20 125.62 2knb s ILE 66 Ca 0.60 -0.44 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 2knb s ILE 66 Cb -0.13 -2.56 -0.03 0.00 0.13 0.00 0.00 42.46 39.87 2knb s ILE 66 CO 0.17 0.60 -0.16 0.68 -1.91 0.00 0.00 174.94 174.32 2knb s VAL 67 N -0.77 1.31 -0.38 4.00 -7.23 0.62 -4.76 120.40 113.19 2knb s VAL 67 Ca 0.12 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 2knb s VAL 67 Cb -0.11 -1.21 0.08 0.00 0.56 0.00 0.00 36.38 35.70 2knb s VAL 67 CO 0.02 -0.09 0.17 -2.28 -0.31 0.00 0.00 175.10 172.61 2knb s HIS 68 N -1.10 3.41 -0.44 2.82 2.46 -0.24 -0.92 115.29 121.28 2knb s HIS 68 Ca 0.02 -1.92 -0.14 0.00 0.47 0.00 0.00 55.06 53.49 2knb s HIS 68 Cb -0.09 -2.83 0.06 0.00 -0.13 0.00 0.00 32.58 29.59 2knb s HIS 68 CO 0.02 -0.88 0.33 0.42 -2.47 0.00 0.00 174.74 172.17 2knb s ILE 69 N 1.28 5.00 0.27 0.89 1.01 0.15 -1.28 121.20 128.52 2knb s ILE 69 Ca 0.03 -1.00 0.11 0.00 0.00 0.00 0.00 60.65 59.79 2knb s ILE 69 Cb -0.22 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2knb s ILE 69 CO -0.01 -0.46 -0.15 0.68 0.00 0.00 0.00 174.94 175.00 2knb s VAL 70 N 1.60 2.76 -0.38 2.92 -7.23 -0.61 -3.68 120.40 115.78 2knb s VAL 70 Ca 0.04 -2.22 -0.22 0.00 -1.81 0.00 0.00 61.98 57.77 2knb s VAL 70 Cb -0.22 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.28 2knb s VAL 70 CO 0.07 -0.36 0.70 -1.58 -0.31 0.00 0.00 175.10 173.61 2knb s GLN 71 N -3.46 3.60 -0.17 4.82 0.74 -1.26 -0.16 119.66 123.76 2knb s GLN 71 Ca 0.29 0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.54 2knb s GLN 71 Cb -0.06 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2knb s GLN 71 CO 0.16 -0.87 0.55 0.50 -0.55 0.00 0.00 175.29 175.08 2knb s ARG 72 N 2.92 4.25 0.33 1.67 3.52 0.16 -4.96 118.95 126.84 2knb s ARG 72 Ca 0.27 0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 56.11 2knb s ARG 72 Cb -0.14 -3.53 -0.10 0.00 -1.56 0.00 0.00 34.95 29.63 2knb s ARG 72 CO 0.17 -0.08 0.95 -1.25 -0.81 0.00 0.00 175.30 174.29 2knb s PRO 73 N 1.38 4.56 -0.33 5.12 0.04 -1.26 -4.71 135.00 139.80 2knb s PRO 73 Ca 0.27 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 2knb s PRO 73 Cb -0.16 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.62 2knb s PRO 73 CO 0.11 0.25 0.11 -0.65 0.04 0.00 0.00 177.00 176.86 2knb s GLN 74 N -2.07 2.79 0.24 4.56 -1.52 -1.26 -5.09 119.66 117.30 2knb s GLN 74 Ca 0.51 -1.07 0.09 0.00 -1.95 0.00 0.00 55.36 52.94 2knb s GLN 74 Cb -0.19 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 2knb s GLN 74 CO 0.24 -0.60 -0.03 0.50 -0.25 0.00 0.00 175.29 175.15 2knb s ARG 75 N 1.45 2.24 0.00 2.91 3.52 -1.26 -5.27 118.95 122.54 2knb s ARG 75 Ca 0.00 -1.35 0.00 0.00 -0.13 0.00 0.00 55.73 54.25 2knb s ARG 75 Cb -0.19 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 2knb s ARG 75 CO 0.03 0.39 0.00 1.63 -0.81 0.00 0.00 175.30 176.54