#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 5.15 -0.02 2.02 -1.09 -1.26 0.37 121.20 126.37 2knb s ILE 2 Ca 0.00 1.02 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 2knb s ILE 2 Cb 0.00 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2knb s ILE 2 CO 0.00 0.29 -0.20 0.68 -1.23 0.00 0.00 174.94 174.48 2knb s VAL 3 N 0.85 1.56 -0.43 2.92 -7.23 -0.33 -1.11 120.40 116.63 2knb s VAL 3 Ca 0.27 -0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 59.39 2knb s VAL 3 Cb -0.15 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.51 2knb s VAL 3 CO 0.11 0.44 0.69 -0.36 -0.31 0.00 0.00 175.10 175.67 2knb s PHE 4 N -0.43 3.05 -0.28 2.82 0.08 0.41 -0.56 117.98 123.07 2knb s PHE 4 Ca 0.07 0.05 -0.11 0.00 0.12 0.00 0.00 56.93 57.06 2knb s PHE 4 Cb -0.08 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.89 2knb s PHE 4 CO -0.01 -0.88 0.20 0.08 -0.10 0.00 0.00 175.22 174.52 2knb s VAL 5 N 2.96 5.30 -0.16 -0.44 1.01 0.22 -0.31 120.40 128.98 2knb s VAL 5 Ca 0.25 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2knb s VAL 5 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2knb s VAL 5 CO 0.20 0.25 -0.04 -0.60 0.00 0.00 0.00 175.10 174.90 2knb s ARG 6 N 1.76 3.65 -0.59 2.72 3.52 -0.50 -0.84 118.95 128.66 2knb s ARG 6 Ca 0.08 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 2knb s ARG 6 Cb -0.16 -2.92 0.15 0.00 -1.56 0.00 0.00 34.95 30.46 2knb s ARG 6 CO 0.11 0.21 0.36 0.12 -0.81 0.00 0.00 175.30 175.28 2knb s PHE 7 N 0.44 3.32 -1.74 5.12 5.36 -1.26 -0.06 117.98 129.17 2knb s PHE 7 Ca -0.04 -3.16 0.00 0.00 -0.96 0.00 0.00 56.93 52.77 2knb s PHE 7 Cb -0.14 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 2knb s PHE 7 CO 0.03 -0.71 0.00 -1.71 -1.46 0.00 0.00 175.22 171.37 2knb n ASN 8 N 2.85 -4.39 -1.50 6.13 4.05 -1.26 -4.93 115.26 116.21 2knb n ASN 8 Ca 0.09 0.41 0.00 0.00 0.45 0.00 0.00 54.58 55.53 2knb n ASN 8 Cb 0.34 -3.95 0.00 0.00 1.23 0.00 0.00 39.78 37.39 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2knb n SER 9 N -0.88 1.61 -0.03 1.20 3.41 -1.26 -5.08 113.62 112.59 2knb n SER 9 Ca -0.16 -0.75 -0.22 0.00 -0.26 0.00 0.00 58.87 57.48 2knb n SER 9 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2knb n SER 10 N -1.04 2.06 -2.46 4.04 3.41 -1.26 -4.99 113.62 113.38 2knb n SER 10 Ca 0.00 0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.81 2knb n SER 10 Cb 0.00 -0.85 0.01 0.00 -0.26 0.00 0.00 64.21 63.12 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 -3.68 -3.02 -3.72 7.33 4.11 -1.26 -5.08 117.16 111.83 2knb n TYR 11 Ca -0.34 -0.33 -0.12 0.00 -0.00 0.00 0.00 57.90 57.12 2knb n TYR 11 Cb 0.96 -0.10 -0.12 0.00 -0.00 0.00 0.00 39.34 40.09 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 -2.56 -0.23 0.11 -7.48 0.00 -1.26 -4.42 107.32 91.48 2knb s GLY 12 Ca 0.10 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.75 2knb s GLY 12 CO 0.07 1.34 0.82 -0.11 0.00 0.00 0.00 173.10 175.22 2knb s PHE 13 N 1.14 3.82 -0.10 1.90 -0.71 -0.02 -4.54 117.98 119.47 2knb s PHE 13 Ca -0.08 1.62 -0.29 0.00 -1.04 0.00 0.00 56.93 57.14 2knb s PHE 13 Cb -0.08 -2.86 -0.01 0.00 -1.21 0.00 0.00 43.02 38.85 2knb s PHE 13 CO -0.09 0.35 0.99 -1.25 -1.34 0.00 0.00 175.22 173.88 2knb s PRO 14 N -0.46 4.43 -0.09 1.99 0.04 -1.26 -0.61 135.00 139.04 2knb s PRO 14 Ca 0.39 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2knb s PRO 14 Cb -0.22 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 30.77 2knb s PRO 14 CO 0.26 -0.28 -0.17 0.08 0.04 0.00 0.00 177.00 176.93 2knb s VAL 15 N 1.88 2.73 -0.50 -0.36 1.01 0.27 -4.89 120.40 120.55 2knb s VAL 15 Ca 0.48 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2knb s VAL 15 Cb -0.18 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.14 2knb s VAL 15 CO 0.19 0.55 0.84 -0.70 0.00 0.00 0.00 175.10 175.98 2knb s GLU 16 N -0.01 3.36 0.41 2.72 2.56 -1.26 -1.18 118.70 125.30 2knb s GLU 16 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.69 2knb s GLU 16 Cb -0.14 -4.00 -0.00 0.00 2.00 0.00 0.00 34.13 31.98 2knb s GLU 16 CO 0.04 -1.28 0.02 1.33 -0.56 0.00 0.00 175.26 174.81 2knb n VAL 17 N 6.13 0.00 -4.56 3.70 0.24 0.16 -4.85 118.33 119.15 2knb n VAL 17 Ca 0.01 -1.98 -0.26 0.00 -2.04 0.00 0.00 64.34 60.07 2knb n VAL 17 Cb 0.48 0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 33.20 2knb n VAL 17 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2knb s ASP 18 N -3.27 3.05 0.41 -1.34 -4.77 -1.26 -0.08 116.67 109.41 2knb s ASP 18 Ca 0.02 -1.58 0.18 0.00 -3.30 0.00 0.00 52.55 47.87 2knb s ASP 18 Cb 0.00 0.31 0.91 0.00 -1.09 0.00 0.00 42.92 43.05 2knb s ASP 18 CO 0.02 -0.81 1.88 0.28 0.70 0.00 0.00 175.17 177.24 2knb h SER 19 N 1.77 0.00 0.51 2.11 0.02 -1.97 -2.44 113.55 113.55 2knb h SER 19 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2knb h SER 19 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2knb h SER 19 CO 0.65 0.30 -0.21 -0.67 -1.14 0.00 0.00 176.83 175.76 2knb n ASP 20 N -3.89 0.45 -4.73 3.07 2.03 -1.26 -0.72 116.55 111.50 2knb n ASP 20 Ca -0.02 -0.32 -0.42 0.00 0.52 0.00 0.00 54.79 54.56 2knb n ASP 20 Cb 0.37 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.72 2.18 0.24 5.18 2.01 -0.92 -4.73 115.64 116.89 2knb s THR 21 Ca 0.21 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 2knb s THR 21 Cb 0.19 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2knb s THR 21 CO 0.55 0.01 0.48 -0.44 -0.69 0.00 0.00 174.62 174.54 2knb s SER 22 N 0.94 6.45 0.31 3.53 0.01 -1.26 -1.19 113.70 122.48 2knb s SER 22 Ca 0.70 0.63 0.04 0.00 1.31 0.00 0.00 55.95 58.64 2knb s SER 22 Cb -0.48 -2.11 0.67 0.00 0.21 0.00 0.00 66.02 64.32 2knb s SER 22 CO 0.37 -0.10 1.83 0.40 0.41 0.00 0.00 173.24 176.14 2knb h ILE 23 N 1.58 0.84 -0.77 1.44 1.08 -0.65 -1.13 117.51 119.89 2knb h ILE 23 Ca -0.47 -0.30 0.14 0.00 -0.39 0.00 0.00 64.86 63.84 2knb h ILE 23 Cb 1.18 -0.09 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 2knb h ILE 23 CO 0.68 0.16 0.34 0.15 -0.69 0.00 0.00 178.15 178.79 2knb h PHE 24 N 0.86 0.59 0.02 1.37 3.57 -1.60 0.06 116.94 121.81 2knb h PHE 24 Ca 0.51 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 2knb h PHE 24 Cb 0.66 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2knb h PHE 24 CO -0.00 0.11 -0.01 1.96 -2.23 0.00 0.00 178.31 178.14 2knb h GLN 25 N 0.51 -0.02 -0.75 1.11 4.20 -1.52 -1.07 115.11 117.56 2knb h GLN 25 Ca 0.42 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.21 2knb h GLN 25 Cb 0.61 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 2knb h GLN 25 CO -0.38 0.11 0.49 1.25 -0.67 0.00 0.00 178.83 179.63 2knb h LEU 26 N -0.15 0.65 -0.36 1.46 5.85 -1.20 -1.30 115.31 120.26 2knb h LEU 26 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2knb h LEU 26 Cb 0.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2knb h LEU 26 CO 0.00 0.40 -0.09 0.11 -0.34 0.00 0.00 178.44 178.52 2knb h LYS 27 N 0.73 0.70 -0.46 1.25 1.57 -0.65 -2.94 116.57 116.76 2knb h LYS 27 Ca 0.33 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2knb h LYS 27 Cb 0.35 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2knb h LYS 27 CO -0.12 0.86 0.31 0.93 -0.57 0.00 0.00 179.45 180.86 2knb h GLU 28 N 0.50 0.57 -0.94 3.15 4.39 -0.10 0.29 114.58 122.44 2knb h GLU 28 Ca 0.09 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2knb h GLU 28 Cb 0.61 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 2knb h GLU 28 CO 0.04 0.38 0.62 0.28 -1.16 0.00 0.00 179.01 179.16 2knb h VAL 29 N 0.59 1.15 0.10 3.13 2.07 -1.16 -1.27 116.25 120.85 2knb h VAL 29 Ca 0.18 -0.40 -0.28 0.00 0.82 0.00 0.00 66.70 67.02 2knb h VAL 29 Cb -0.01 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 2knb h VAL 29 CO -0.04 0.21 -1.35 0.58 0.02 0.00 0.00 177.57 176.99 2knb h VAL 30 N 1.17 1.35 -0.11 2.57 2.07 -1.36 -3.16 116.25 118.78 2knb h VAL 30 Ca 0.38 -2.99 0.03 0.00 0.82 0.00 0.00 66.70 64.94 2knb h VAL 30 Cb 0.04 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 2knb h VAL 30 CO -0.12 0.85 -0.07 0.00 0.02 0.00 0.00 177.57 178.25 2knb h ALA 31 N 0.64 0.02 0.00 1.67 0.00 -0.34 0.10 119.26 121.36 2knb h ALA 31 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2knb h ALA 31 Cb 1.96 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2knb h ALA 31 CO 0.17 -0.53 0.00 1.57 0.00 0.00 0.00 179.25 180.46 2knb h LYS 32 N -0.07 0.00 0.10 0.00 2.10 -1.39 0.13 116.57 117.45 2knb h LYS 32 Ca 0.07 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.51 2knb h LYS 32 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2knb h LYS 32 CO -0.15 0.00 -1.00 -0.09 -2.00 0.00 0.00 179.45 176.21 2knb h ARG 33 N 0.00 0.22 -0.00 0.07 2.43 -1.25 -3.37 114.38 112.48 2knb h ARG 33 Ca 0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2knb h ARG 33 Cb 0.60 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2knb h ARG 33 CO 0.00 1.18 -0.78 1.04 -1.51 0.00 0.00 179.97 179.90 2knb n GLN 34 N -4.12 0.30 -2.88 0.20 1.13 0.26 -4.98 117.38 107.30 2knb n GLN 34 Ca -0.19 -0.23 -0.09 0.00 -1.94 0.00 0.00 57.00 54.54 2knb n GLN 34 Cb 0.81 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.70 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 1.47 0.26 3.09 1.08 0.00 0.39 -5.05 105.19 106.45 2knb n GLY 35 Ca 0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.14 1.28 -0.04 1.61 1.01 -0.71 -5.04 120.40 115.36 2knb s VAL 36 Ca 0.19 -0.61 -0.38 0.00 0.00 0.00 0.00 61.98 61.17 2knb s VAL 36 Cb -0.08 -1.12 -0.17 0.00 0.00 0.00 0.00 36.38 35.02 2knb s VAL 36 CO 0.31 0.38 1.45 -2.65 0.00 0.00 0.00 175.10 174.59 2knb n PRO 37 N 3.32 1.04 0.24 2.72 -0.02 -1.26 -4.32 135.00 136.73 2knb n PRO 37 Ca -0.19 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.75 2knb n PRO 37 Cb 0.53 -2.02 0.61 0.00 -0.02 0.00 0.00 33.50 32.60 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 5.26 1.56 0.00 3.55 0.00 -1.91 -1.45 119.26 126.26 2knb h ALA 38 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2knb h ALA 38 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2knb h ALA 38 CO 0.83 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.86 2knb n ASP 39 N -4.08 0.00 -0.67 0.00 5.75 -1.26 -1.66 116.55 114.63 2knb n ASP 39 Ca -0.02 0.39 0.07 0.00 -0.01 0.00 0.00 54.79 55.21 2knb n ASP 39 Cb 0.23 -0.44 0.13 0.00 -1.03 0.00 0.00 41.12 40.00 2knb n ASP 39 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2knb n GLN 40 N -1.44 1.98 -3.99 0.11 7.27 -0.55 -4.98 117.38 115.78 2knb n GLN 40 Ca 0.05 -1.79 -0.35 0.00 0.07 0.00 0.00 57.00 54.98 2knb n GLN 40 Cb 0.17 -1.30 -0.06 0.00 2.41 0.00 0.00 30.24 31.46 2knb n GLN 40 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2knb s LEU 41 N -1.05 4.19 0.08 1.69 1.43 -0.66 0.06 118.68 124.42 2knb s LEU 41 Ca 0.23 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2knb s LEU 41 Cb 0.13 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2knb s LEU 41 CO 0.18 0.34 -0.20 -0.13 0.23 0.00 0.00 176.35 176.77 2knb s ARG 42 N -1.42 1.17 -0.19 1.70 1.81 0.20 -4.86 118.95 117.36 2knb s ARG 42 Ca 0.20 -1.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.14 2knb s ARG 42 Cb -0.12 -1.36 0.00 0.00 -0.45 0.00 0.00 34.95 33.03 2knb s ARG 42 CO 0.10 0.33 -0.12 0.08 -0.68 0.00 0.00 175.30 175.00 2knb s VAL 43 N -1.04 2.75 -0.13 3.52 1.01 -1.26 -1.74 120.40 123.51 2knb s VAL 43 Ca 0.06 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2knb s VAL 43 Cb -0.09 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2knb s VAL 43 CO 0.03 0.48 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 2knb s ILE 44 N 1.28 1.93 -0.19 2.22 1.01 -0.34 -0.00 121.20 127.11 2knb s ILE 44 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2knb s ILE 44 Cb -0.14 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.66 2knb s ILE 44 CO -0.06 0.53 -0.14 0.12 0.00 0.00 0.00 174.94 175.38 2knb s PHE 45 N 0.76 2.57 -1.52 3.97 5.36 0.66 -1.02 117.98 128.77 2knb s PHE 45 Ca -0.09 -1.61 -0.13 0.00 -0.96 0.00 0.00 56.93 54.14 2knb s PHE 45 Cb -0.16 -1.75 0.08 0.00 -0.34 0.00 0.00 43.02 40.85 2knb s PHE 45 CO 0.00 -0.76 0.99 0.00 -1.46 0.00 0.00 175.22 173.99 2knb n ALA 46 N 4.66 -1.31 -1.00 11.12 0.00 -1.26 -0.63 120.51 132.09 2knb n ALA 46 Ca -0.17 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2knb n ALA 46 Cb 0.48 -4.48 -0.00 0.00 0.00 0.00 0.00 19.45 15.45 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 -1.71 0.49 3.23 0.00 0.00 -1.26 -5.02 105.19 100.91 2knb n GLY 47 Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 3.18 -0.10 1.61 1.02 0.20 -5.09 119.74 120.46 2knb s LYS 48 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2knb s LYS 48 Cb 0.00 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2knb s LYS 48 CO 0.00 -0.22 1.17 -1.21 -0.92 0.00 0.00 175.35 174.17 2knb s GLU 49 N 1.39 4.33 -0.11 1.68 2.02 -1.26 -0.25 118.70 126.51 2knb s GLU 49 Ca 0.05 1.60 -0.21 0.00 0.02 0.00 0.00 54.97 56.43 2knb s GLU 49 Cb -0.14 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 2knb s GLU 49 CO -0.07 -0.50 0.60 -0.51 0.02 0.00 0.00 175.26 174.79 2knb s LEU 50 N 2.55 4.27 0.34 1.80 1.43 1.00 -4.98 118.68 125.09 2knb s LEU 50 Ca 0.53 0.97 -0.28 0.00 -1.03 0.00 0.00 54.13 54.32 2knb s LEU 50 Cb -0.22 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 2knb s LEU 50 CO 0.18 -0.10 1.26 -1.10 0.23 0.00 0.00 176.35 176.82 2knb s GLN 51 N 0.92 4.34 0.32 1.70 -0.21 -1.26 -4.46 119.66 121.01 2knb s GLN 51 Ca 0.31 2.10 0.09 0.00 0.02 0.00 0.00 55.36 57.88 2knb s GLN 51 Cb -0.16 -3.02 0.91 0.00 1.00 0.00 0.00 33.01 31.73 2knb s GLN 51 CO 0.14 -0.16 1.66 -0.97 -2.12 0.00 0.00 175.29 173.84 2knb h ASN 52 N 3.31 0.30 -0.33 5.90 -1.24 -1.96 0.11 115.58 121.67 2knb h ASN 52 Ca -0.49 0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2knb h ASN 52 Cb 1.23 0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2knb h ASN 52 CO 0.65 -0.13 0.00 1.57 -1.29 0.00 0.00 177.43 178.23 2knb n HIS 53 N -5.12 0.52 -2.93 0.67 -0.00 -1.26 -1.71 115.22 105.39 2knb n HIS 53 Ca 0.27 -0.24 -0.34 0.00 0.46 0.00 0.00 57.72 57.87 2knb n HIS 53 Cb 0.84 -0.04 -0.07 0.00 -0.12 0.00 0.00 29.99 30.60 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 -1.03 4.05 0.21 0.27 1.43 0.38 -4.86 118.68 119.13 2knb s LEU 54 Ca 0.23 1.56 0.09 0.00 -1.03 0.00 0.00 54.13 54.98 2knb s LEU 54 Cb 0.13 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2knb s LEU 54 CO 0.15 -0.25 -0.03 0.42 0.23 0.00 0.00 176.35 176.86 2knb s THR 55 N -2.01 3.45 0.18 5.49 -4.23 -1.26 -0.27 115.64 116.99 2knb s THR 55 Ca 0.57 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 2knb s THR 55 Cb -0.11 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2knb s THR 55 CO 0.16 -0.21 1.70 0.58 -0.54 0.00 0.00 174.62 176.32 2knb h VAL 56 N 2.35 0.69 0.00 2.29 2.07 -1.00 0.35 116.25 122.99 2knb h VAL 56 Ca -0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2knb h VAL 56 Cb 1.22 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2knb h VAL 56 CO 0.58 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.19 2knb n GLN 57 N -5.17 0.57 -0.34 1.57 10.64 0.10 -2.45 117.38 122.30 2knb n GLN 57 Ca 0.04 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.29 2knb n GLN 57 Cb 0.24 -1.36 0.13 0.00 -0.86 0.00 0.00 30.24 28.39 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 -0.86 1.82 -2.19 2.61 2.85 0.10 -5.06 115.26 114.52 2knb n ASN 58 Ca 0.10 -3.09 -0.07 0.00 -0.11 0.00 0.00 54.58 51.40 2knb n ASN 58 Cb 0.05 -0.42 0.01 0.00 1.24 0.00 0.00 39.78 40.65 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 -1.48 8.43 -3.85 0.00 8.00 -1.26 -4.79 116.55 121.59 2knb n ASP 60 Ca -0.04 -2.57 -0.30 0.00 0.71 0.00 0.00 54.79 52.59 2knb n ASP 60 Cb 0.38 -1.54 -0.15 0.00 -0.02 0.00 0.00 41.12 39.79 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 3.36 0.00 0.64 1.43 -1.26 -5.04 118.68 118.06 2knb s LEU 61 Ca 0.68 -2.02 0.02 0.00 -1.03 0.00 0.00 54.13 51.78 2knb s LEU 61 Cb 0.18 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2knb s LEU 61 CO -0.06 -0.38 0.17 -1.84 0.23 0.00 0.00 176.35 174.47 2knb n GLU 62 N 4.39 1.06 -1.91 1.70 0.28 -1.26 -4.77 120.64 120.13 2knb n GLU 62 Ca 0.02 -0.85 -0.42 0.00 -0.16 0.00 0.00 57.16 55.75 2knb n GLU 62 Cb 0.41 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.25 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 -2.65 4.20 -0.96 3.44 2.00 -1.26 -3.16 119.66 121.27 2knb s GLN 63 Ca 0.13 2.38 -0.00 0.00 -2.00 0.00 0.00 55.36 55.86 2knb s GLN 63 Cb -0.01 -3.35 -0.00 0.00 0.80 0.00 0.00 33.01 30.44 2knb s GLN 63 CO 0.08 -0.68 0.80 1.04 -0.50 0.00 0.00 175.29 176.03 2knb n GLN 64 N 4.71 -5.06 -3.64 1.67 6.02 -0.27 -5.01 117.38 115.80 2knb n GLN 64 Ca 0.15 0.69 -0.34 0.00 -0.01 0.00 0.00 57.00 57.49 2knb n GLN 64 Cb 0.39 -5.20 -0.05 0.00 1.02 0.00 0.00 30.24 26.40 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 -4.03 6.57 -0.18 1.08 0.01 -1.19 -4.86 113.70 111.10 2knb s SER 65 Ca 0.03 0.69 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 2knb s SER 65 Cb -0.00 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 2knb s SER 65 CO 0.59 0.17 0.10 -0.51 0.41 0.00 0.00 173.24 174.00 2knb s ILE 66 N -1.42 5.12 0.04 1.44 2.07 -1.26 -0.44 121.20 126.74 2knb s ILE 66 Ca 0.33 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.70 2knb s ILE 66 Cb -0.13 -3.30 -0.02 0.00 0.13 0.00 0.00 42.46 39.13 2knb s ILE 66 CO 0.19 0.48 -0.14 0.68 -1.91 0.00 0.00 174.94 174.24 2knb s VAL 67 N 0.11 1.07 -0.38 4.00 -7.23 0.57 -4.71 120.40 113.84 2knb s VAL 67 Ca 0.07 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 2knb s VAL 67 Cb -0.12 -0.98 0.06 0.00 0.56 0.00 0.00 36.38 35.90 2knb s VAL 67 CO -0.00 -0.02 0.19 -2.28 -0.31 0.00 0.00 175.10 172.68 2knb s HIS 68 N -0.87 3.30 -0.52 2.82 2.46 -0.19 -1.41 115.29 120.88 2knb s HIS 68 Ca 0.01 -1.42 -0.16 0.00 0.47 0.00 0.00 55.06 53.96 2knb s HIS 68 Cb -0.08 -2.63 0.10 0.00 -0.13 0.00 0.00 32.58 29.84 2knb s HIS 68 CO 0.01 -0.77 0.48 0.42 -2.47 0.00 0.00 174.74 172.40 2knb s ILE 69 N 1.43 5.19 0.20 0.89 1.01 0.91 -1.20 121.20 129.63 2knb s ILE 69 Ca 0.01 -1.27 0.09 0.00 0.00 0.00 0.00 60.65 59.48 2knb s ILE 69 Cb -0.21 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2knb s ILE 69 CO 0.03 -0.77 -0.08 0.68 0.00 0.00 0.00 174.94 174.80 2knb s VAL 70 N 1.71 3.23 -0.18 2.92 -7.23 -0.71 -4.06 120.40 116.08 2knb s VAL 70 Ca 0.04 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 2knb s VAL 70 Cb -0.27 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2knb s VAL 70 CO 0.05 -0.18 0.81 -1.58 -0.31 0.00 0.00 175.10 173.88 2knb s GLN 71 N -3.05 4.27 -0.37 4.82 -0.44 -1.26 -0.63 119.66 123.00 2knb s GLN 71 Ca 0.27 0.96 -0.02 0.00 -2.50 0.00 0.00 55.36 54.06 2knb s GLN 71 Cb -0.08 -3.59 0.09 0.00 -1.64 0.00 0.00 33.01 27.79 2knb s GLN 71 CO 0.16 -0.35 0.14 0.50 0.50 0.00 0.00 175.29 176.24 2knb s ARG 72 N 2.23 2.12 0.62 1.67 3.52 0.11 -4.94 118.95 124.29 2knb s ARG 72 Ca 0.37 -1.64 -0.16 0.00 -0.13 0.00 0.00 55.73 54.17 2knb s ARG 72 Cb -0.16 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2knb s ARG 72 CO 0.11 -0.92 1.09 -1.25 -0.81 0.00 0.00 175.30 173.52 2knb s PRO 73 N 1.17 3.05 -0.14 5.12 0.04 -1.26 -4.68 135.00 138.30 2knb s PRO 73 Ca 0.04 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2knb s PRO 73 Cb -0.22 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.35 2knb s PRO 73 CO -0.03 -1.04 -0.21 -1.14 0.04 0.00 0.00 177.00 174.62 2knb s GLN 74 N -4.04 2.93 -0.56 4.56 2.00 -1.26 -5.08 119.66 118.21 2knb s GLN 74 Ca 0.66 -0.82 -0.18 0.00 -2.00 0.00 0.00 55.36 53.03 2knb s GLN 74 Cb -0.19 -2.40 0.11 0.00 0.80 0.00 0.00 33.01 31.33 2knb s GLN 74 CO 0.39 -0.06 0.60 1.03 -0.50 0.00 0.00 175.29 176.75 2knb s ARG 75 N 0.92 3.02 0.00 1.67 0.52 -1.26 -5.24 118.95 118.59 2knb s ARG 75 Ca -0.05 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 2knb s ARG 75 Cb -0.15 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.06 2knb s ARG 75 CO -0.04 -1.40 0.00 1.63 0.02 0.00 0.00 175.30 175.51