#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 5.14 0.06 2.02 -1.09 -1.26 -0.60 121.20 125.47 2knb s ILE 2 Ca 0.00 0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2knb s ILE 2 Cb 0.00 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2knb s ILE 2 CO 0.00 0.42 -0.15 0.68 -1.23 0.00 0.00 174.94 174.66 2knb s VAL 3 N 0.56 1.20 -0.34 2.92 -7.23 -0.82 -1.63 120.40 115.06 2knb s VAL 3 Ca 0.06 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.88 2knb s VAL 3 Cb -0.12 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.68 2knb s VAL 3 CO 0.00 -0.11 0.26 -0.36 -0.31 0.00 0.00 175.10 174.59 2knb s PHE 4 N -1.09 3.23 -0.22 2.82 0.08 0.64 -0.12 117.98 123.31 2knb s PHE 4 Ca 0.01 -0.15 -0.10 0.00 0.12 0.00 0.00 56.93 56.80 2knb s PHE 4 Cb -0.09 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.80 2knb s PHE 4 CO 0.02 -0.36 0.14 0.08 -0.10 0.00 0.00 175.22 175.00 2knb s VAL 5 N 1.78 5.33 -0.13 -0.44 1.01 0.04 -0.16 120.40 127.83 2knb s VAL 5 Ca 0.07 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2knb s VAL 5 Cb -0.17 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2knb s VAL 5 CO 0.11 0.40 -0.22 -0.60 0.00 0.00 0.00 175.10 174.79 2knb s ARG 6 N 0.69 2.93 -0.60 2.72 3.52 -0.22 -1.08 118.95 126.92 2knb s ARG 6 Ca 0.07 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 2knb s ARG 6 Cb -0.12 -2.35 0.15 0.00 -1.56 0.00 0.00 34.95 31.07 2knb s ARG 6 CO 0.01 0.01 0.40 0.12 -0.81 0.00 0.00 175.30 175.03 2knb s PHE 7 N 0.76 3.38 -1.18 5.12 5.36 -1.26 0.21 117.98 130.38 2knb s PHE 7 Ca -0.09 -2.78 -0.03 0.00 -0.96 0.00 0.00 56.93 53.07 2knb s PHE 7 Cb -0.16 -3.14 0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2knb s PHE 7 CO -0.00 -0.83 0.20 -1.71 -1.46 0.00 0.00 175.22 171.41 2knb n ASN 8 N 3.47 -4.10 -1.72 6.13 5.15 -1.23 -4.93 115.26 118.03 2knb n ASN 8 Ca 0.07 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2knb n ASN 8 Cb 0.37 -3.44 0.00 0.00 -0.53 0.00 0.00 39.78 36.18 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2knb n SER 9 N -2.02 1.97 -0.10 1.20 3.41 -1.26 -5.08 113.62 111.74 2knb n SER 9 Ca -0.11 -0.87 -0.24 0.00 -0.26 0.00 0.00 58.87 57.40 2knb n SER 9 Cb 0.59 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.89 1.96 -3.00 4.04 3.41 -1.26 -5.01 113.62 112.87 2knb n SER 10 Ca 0.00 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 2knb n SER 10 Cb 0.00 -0.80 0.03 0.00 -0.26 0.00 0.00 64.21 63.18 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 -3.98 -2.96 -3.79 7.33 4.11 -1.26 -5.09 117.16 111.51 2knb n TYR 11 Ca -0.42 -0.71 -0.13 0.00 -0.00 0.00 0.00 57.90 56.65 2knb n TYR 11 Cb 0.87 -0.23 -0.13 0.00 -0.00 0.00 0.00 39.34 39.85 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 -3.14 -0.08 -0.07 -7.48 0.00 -1.26 -4.49 107.32 90.79 2knb s GLY 12 Ca 0.23 0.54 -0.18 0.00 0.00 0.00 0.00 44.72 45.31 2knb s GLY 12 CO 0.15 0.64 0.50 -0.11 0.00 0.00 0.00 173.10 174.28 2knb s PHE 13 N 0.54 3.59 -0.04 1.90 -0.12 -0.24 -4.66 117.98 118.96 2knb s PHE 13 Ca -0.04 0.99 -0.30 0.00 -0.05 0.00 0.00 56.93 57.54 2knb s PHE 13 Cb -0.05 -2.53 -0.04 0.00 -0.63 0.00 0.00 43.02 39.76 2knb s PHE 13 CO -0.03 0.28 1.24 -1.25 -0.05 0.00 0.00 175.22 175.42 2knb s PRO 14 N 0.17 4.34 -0.04 1.99 0.04 -1.26 -0.78 135.00 139.47 2knb s PRO 14 Ca 0.27 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2knb s PRO 14 Cb -0.16 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 2knb s PRO 14 CO 0.13 -0.46 -0.20 0.08 0.04 0.00 0.00 177.00 176.59 2knb s VAL 15 N 2.16 2.53 -0.43 -0.36 1.01 0.82 -4.92 120.40 121.22 2knb s VAL 15 Ca 0.58 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2knb s VAL 15 Cb -0.26 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2knb s VAL 15 CO 0.23 0.58 0.77 -0.70 0.00 0.00 0.00 175.10 175.99 2knb s GLU 16 N -0.62 3.49 0.45 2.72 2.56 -1.26 -1.95 118.70 124.09 2knb s GLU 16 Ca 0.09 -0.01 0.03 0.00 0.00 0.00 0.00 54.97 55.08 2knb s GLU 16 Cb -0.11 -3.90 -0.01 0.00 2.00 0.00 0.00 34.13 32.10 2knb s GLU 16 CO 0.00 -1.04 0.12 0.14 -0.56 0.00 0.00 175.26 173.92 2knb s VAL 17 N 3.22 0.60 0.38 3.70 -7.23 0.23 -4.92 120.40 116.38 2knb s VAL 17 Ca 0.30 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2knb s VAL 17 Cb -0.12 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 2knb s VAL 17 CO 0.21 0.00 0.03 1.51 -0.31 0.00 0.00 175.10 176.54 2knb s ASP 18 N -3.69 3.21 0.46 4.85 1.47 -1.26 0.65 116.67 122.36 2knb s ASP 18 Ca 0.18 -1.40 0.21 0.00 1.18 0.00 0.00 52.55 52.73 2knb s ASP 18 Cb 0.01 -0.19 1.14 0.00 -0.34 0.00 0.00 42.92 43.54 2knb s ASP 18 CO 0.12 -0.55 1.97 0.28 0.68 0.00 0.00 175.17 177.67 2knb h SER 19 N 1.90 0.00 0.13 2.11 0.02 -1.97 -2.16 113.55 113.58 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 63.79 2knb h SER 19 CO 0.75 0.21 -0.06 -0.67 -1.14 0.00 0.00 176.83 175.91 2knb n ASP 20 N -3.82 0.81 -4.73 3.07 2.03 -1.26 -1.55 116.55 111.11 2knb n ASP 20 Ca -0.02 -1.04 -0.42 0.00 0.52 0.00 0.00 54.79 53.84 2knb n ASP 20 Cb 0.31 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.20 2.95 0.32 5.18 2.01 -0.81 -4.79 115.64 118.29 2knb s THR 21 Ca 0.36 0.73 -0.06 0.00 0.31 0.00 0.00 61.69 63.03 2knb s THR 21 Cb 0.21 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2knb s THR 21 CO 0.41 0.08 0.60 -0.94 -0.69 0.00 0.00 174.62 174.09 2knb s SER 22 N 0.75 6.46 0.27 3.53 1.04 -1.26 -1.17 113.70 123.32 2knb s SER 22 Ca 0.63 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2knb s SER 22 Cb -0.40 -2.18 0.53 0.00 0.10 0.00 0.00 66.02 64.07 2knb s SER 22 CO 0.36 -0.24 1.82 0.40 0.98 0.00 0.00 173.24 176.55 2knb h ILE 23 N 1.28 0.87 -0.56 -1.02 1.08 -0.73 -1.50 117.51 116.94 2knb h ILE 23 Ca -0.48 -0.30 0.06 0.00 -0.39 0.00 0.00 64.86 63.75 2knb h ILE 23 Cb 1.19 -0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 2knb h ILE 23 CO 0.65 0.16 0.26 0.15 -0.69 0.00 0.00 178.15 178.69 2knb h PHE 24 N 0.88 0.47 -0.10 1.37 3.57 -1.77 -1.14 116.94 120.24 2knb h PHE 24 Ca 0.48 0.02 0.01 0.00 3.53 0.00 0.00 57.97 62.01 2knb h PHE 24 Cb 0.52 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2knb h PHE 24 CO -0.03 0.20 0.04 1.96 -2.23 0.00 0.00 178.31 178.25 2knb h GLN 25 N 0.49 0.09 -0.16 1.11 4.20 -1.61 0.34 115.11 119.57 2knb h GLN 25 Ca 0.26 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2knb h GLN 25 Cb 0.23 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2knb h GLN 25 CO -0.21 0.06 0.11 1.25 -0.67 0.00 0.00 178.83 179.37 2knb h LEU 26 N 0.09 0.00 -0.10 1.46 5.85 -1.07 -0.95 115.31 120.59 2knb h LEU 26 Ca 0.04 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 2knb h LEU 26 Cb 0.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2knb h LEU 26 CO -0.03 0.00 -0.93 0.11 -0.34 0.00 0.00 178.44 177.25 2knb h LYS 27 N 0.00 0.68 -0.74 1.25 1.57 -0.17 -3.15 116.57 116.01 2knb h LYS 27 Ca 0.07 -0.66 0.07 0.00 -1.87 0.00 0.00 60.65 58.26 2knb h LYS 27 Cb 0.30 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2knb h LYS 27 CO -0.00 1.26 0.49 0.93 -0.57 0.00 0.00 179.45 181.56 2knb h GLU 28 N 0.42 0.74 -0.64 3.15 5.08 0.39 0.47 114.58 124.19 2knb h GLU 28 Ca -0.09 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2knb h GLU 28 Cb 1.57 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 2knb h GLU 28 CO 0.18 0.49 0.32 0.28 -1.00 0.00 0.00 179.01 179.28 2knb h VAL 29 N 0.76 0.90 0.10 3.13 2.07 -1.38 -0.65 116.25 121.17 2knb h VAL 29 Ca 0.32 -0.20 -0.26 0.00 0.82 0.00 0.00 66.70 67.39 2knb h VAL 29 Cb 0.29 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2knb h VAL 29 CO -0.11 0.11 -1.16 0.58 0.02 0.00 0.00 177.57 177.00 2knb h VAL 30 N 0.58 1.48 0.17 2.57 2.07 -1.41 -3.08 116.25 118.62 2knb h VAL 30 Ca 0.30 -2.92 0.01 0.00 0.82 0.00 0.00 66.70 64.91 2knb h VAL 30 Cb 0.26 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2knb h VAL 30 CO -0.22 0.86 -0.18 0.00 0.02 0.00 0.00 177.57 178.04 2knb h ALA 31 N 0.63 -0.36 0.00 1.67 0.00 -0.28 0.10 119.26 121.03 2knb h ALA 31 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2knb h ALA 31 Cb 1.87 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2knb h ALA 31 CO 0.19 -0.73 0.00 1.57 0.00 0.00 0.00 179.25 180.28 2knb h LYS 32 N -0.39 0.00 0.15 0.00 2.10 -1.26 0.18 116.57 117.36 2knb h LYS 32 Ca 0.01 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.37 2knb h LYS 32 Cb 0.38 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2knb h LYS 32 CO -0.06 0.00 -1.43 -0.09 -2.00 0.00 0.00 179.45 175.87 2knb h ARG 33 N 0.00 0.32 0.00 0.07 2.43 -1.29 -3.38 114.38 112.53 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 0.52 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2knb h ARG 33 CO 0.00 1.26 -1.46 1.04 -1.51 0.00 0.00 179.97 179.30 2knb n GLN 34 N -3.84 0.47 -2.46 0.20 1.13 0.30 -4.98 117.38 108.20 2knb n GLN 34 Ca -0.23 -0.07 -0.02 0.00 -1.94 0.00 0.00 57.00 54.74 2knb n GLN 34 Cb 0.96 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 1.31 0.73 3.20 1.08 0.00 0.61 -5.06 105.19 107.06 2knb n GLY 35 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.81 1.77 0.09 1.61 1.01 -0.99 -5.05 120.40 116.03 2knb s VAL 36 Ca 0.03 -0.90 -0.35 0.00 0.00 0.00 0.00 61.98 60.77 2knb s VAL 36 Cb -0.01 -1.51 -0.14 0.00 0.00 0.00 0.00 36.38 34.71 2knb s VAL 36 CO 0.04 0.50 1.56 -2.65 0.00 0.00 0.00 175.10 174.55 2knb n PRO 37 N 3.14 1.84 0.28 2.72 -0.02 -1.26 -4.38 135.00 137.31 2knb n PRO 37 Ca -0.18 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 2knb n PRO 37 Cb 0.52 -2.41 0.75 0.00 -0.02 0.00 0.00 33.50 32.35 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 6.06 1.05 0.00 3.55 0.00 -1.92 -2.35 119.26 125.65 2knb h ALA 38 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2knb h ALA 38 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2knb h ALA 38 CO 0.87 0.07 0.00 0.38 0.00 0.00 0.00 179.25 180.57 2knb h ASP 39 N 0.00 0.00 0.00 0.00 2.03 -1.98 -2.62 116.42 113.85 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 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 2knb h ASP 39 CO 0.01 0.00 -0.90 0.00 -1.03 0.00 0.00 179.24 177.32 2knb n GLN 40 N -2.42 0.24 -3.04 4.15 6.02 -0.89 -4.93 117.38 116.51 2knb n GLN 40 Ca 0.03 -0.20 -0.40 0.00 -0.01 0.00 0.00 57.00 56.43 2knb n GLN 40 Cb 0.31 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.90 4.47 0.12 1.08 1.43 -0.99 -0.11 118.68 121.78 2knb s LEU 41 Ca 0.10 1.41 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 2knb s LEU 41 Cb 0.16 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2knb s LEU 41 CO 0.81 0.07 -0.23 -0.13 0.23 0.00 0.00 176.35 177.11 2knb s ARG 42 N -0.29 1.24 -0.20 1.70 1.81 0.19 -4.90 118.95 118.49 2knb s ARG 42 Ca 0.36 -1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 53.09 2knb s ARG 42 Cb -0.20 -1.56 -0.00 0.00 -0.45 0.00 0.00 34.95 32.74 2knb s ARG 42 CO 0.22 0.36 -0.08 0.08 -0.68 0.00 0.00 175.30 175.20 2knb s VAL 43 N -1.22 3.06 -0.26 3.52 1.01 -1.26 -1.77 120.40 123.48 2knb s VAL 43 Ca 0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2knb s VAL 43 Cb -0.10 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2knb s VAL 43 CO 0.05 0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 174.95 2knb s ILE 44 N 1.34 3.17 -0.12 2.22 1.01 0.32 -0.75 121.20 128.38 2knb s ILE 44 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2knb s ILE 44 Cb -0.14 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.74 2knb s ILE 44 CO -0.05 0.18 -0.11 0.12 0.00 0.00 0.00 174.94 175.08 2knb s PHE 45 N 1.38 1.79 -1.67 3.97 5.36 0.17 -1.91 117.98 127.06 2knb s PHE 45 Ca 0.01 -0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 55.05 2knb s PHE 45 Cb -0.17 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.15 2knb s PHE 45 CO -0.03 -0.54 0.17 0.00 -1.46 0.00 0.00 175.22 173.36 2knb n ALA 46 N 4.68 -0.74 -1.08 11.12 0.00 -1.26 -0.84 120.51 132.40 2knb n ALA 46 Ca -0.16 0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2knb n ALA 46 Cb 0.50 -2.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.31 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 -1.15 0.59 3.04 0.00 0.00 -1.26 -5.03 105.19 101.39 2knb n GLY 47 Ca -0.20 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.99 2.11 -0.39 1.61 1.02 -0.02 -5.09 119.74 116.98 2knb s LYS 48 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.18 2knb s LYS 48 Cb 0.00 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 2knb s LYS 48 CO 0.00 -0.07 1.27 -1.21 -0.92 0.00 0.00 175.35 174.42 2knb s GLU 49 N 1.01 3.75 -0.04 1.68 2.02 -1.26 -0.66 118.70 125.21 2knb s GLU 49 Ca -0.06 0.92 -0.30 0.00 0.02 0.00 0.00 54.97 55.55 2knb s GLU 49 Cb -0.15 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 2knb s GLU 49 CO -0.02 -1.33 1.21 -0.51 0.02 0.00 0.00 175.26 174.63 2knb s LEU 50 N 4.70 4.29 0.31 1.80 1.43 0.07 -4.98 118.68 126.30 2knb s LEU 50 Ca 0.55 1.85 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2knb s LEU 50 Cb -0.12 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 2knb s LEU 50 CO 0.28 -0.57 1.39 -1.10 0.23 0.00 0.00 176.35 176.58 2knb s GLN 51 N 2.09 4.28 0.50 1.70 -0.21 -1.26 -4.50 119.66 122.26 2knb s GLN 51 Ca 0.56 2.31 0.25 0.00 0.02 0.00 0.00 55.36 58.50 2knb s GLN 51 Cb -0.25 -3.07 1.33 0.00 1.00 0.00 0.00 33.01 32.01 2knb s GLN 51 CO 0.23 -0.33 1.91 -0.97 -2.12 0.00 0.00 175.29 174.01 2knb h ASN 52 N 3.97 0.13 0.22 5.90 -1.24 -1.94 0.80 115.58 123.43 2knb h ASN 52 Ca -0.48 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2knb h ASN 52 Cb 1.22 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2knb h ASN 52 CO 0.70 0.06 -0.11 1.57 -1.29 0.00 0.00 177.43 178.35 2knb n HIS 53 N -4.37 0.00 -2.25 0.67 -0.00 -1.26 -2.66 115.22 105.34 2knb n HIS 53 Ca 0.16 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.02 2knb n HIS 53 Cb 0.77 -0.12 -0.02 0.00 -0.12 0.00 0.00 29.99 30.50 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 -2.34 3.52 0.36 0.27 1.43 0.27 -4.86 118.68 117.33 2knb s LEU 54 Ca 0.31 1.53 0.09 0.00 -1.03 0.00 0.00 54.13 55.03 2knb s LEU 54 Cb 0.20 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.86 2knb s LEU 54 CO 0.45 -0.67 -0.01 0.42 0.23 0.00 0.00 176.35 176.77 2knb s THR 55 N -2.78 2.34 0.16 5.49 -4.23 -1.26 -0.27 115.64 115.10 2knb s THR 55 Ca 0.58 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 2knb s THR 55 Cb -0.10 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2knb s THR 55 CO 0.37 -0.14 1.71 0.58 -0.54 0.00 0.00 174.62 176.61 2knb h VAL 56 N 1.83 0.76 0.00 2.29 2.07 -1.07 0.23 116.25 122.36 2knb h VAL 56 Ca -0.43 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2knb h VAL 56 Cb 1.25 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2knb h VAL 56 CO 0.71 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.33 2knb n GLN 57 N -5.14 0.76 0.00 1.57 10.64 -0.59 -2.55 117.38 122.07 2knb n GLN 57 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2knb n GLN 57 Cb 0.18 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 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 -0.56 1.01 0.00 2.61 2.85 0.03 -5.06 115.26 116.15 2knb n ASN 58 Ca 0.02 -1.04 0.00 0.00 -0.11 0.00 0.00 54.58 53.45 2knb n ASN 58 Cb 0.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.03 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 0.00 3.73 -4.69 0.00 8.00 -1.26 -4.92 116.55 117.40 2knb n ASP 60 Ca 0.00 -3.21 -0.37 0.00 0.71 0.00 0.00 54.79 51.92 2knb n ASP 60 Cb 0.00 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.26 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 -2.47 4.19 0.40 0.64 1.43 -1.26 -5.06 118.68 116.55 2knb s LEU 61 Ca 0.43 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 2knb s LEU 61 Cb 0.36 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2knb s LEU 61 CO 0.08 -0.00 0.17 -1.83 0.23 0.00 0.00 176.35 175.00 2knb s GLU 62 N 0.95 1.92 0.21 1.70 -1.05 -1.26 -4.78 118.70 116.40 2knb s GLU 62 Ca 0.18 -2.17 -0.32 0.00 -0.15 0.00 0.00 54.97 52.51 2knb s GLU 62 Cb -0.14 -0.38 -0.13 0.00 -0.44 0.00 0.00 34.13 33.04 2knb s GLU 62 CO 0.07 -0.54 1.61 0.94 0.95 0.00 0.00 175.26 178.28 2knb n GLN 63 N -0.87 2.44 -2.98 -4.83 -0.06 -1.26 -3.20 117.38 106.62 2knb n GLN 63 Ca -0.03 0.88 -0.12 0.00 -2.00 0.00 0.00 57.00 55.72 2knb n GLN 63 Cb 0.64 -2.66 0.06 0.00 -4.06 0.00 0.00 30.24 24.22 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 3.18 -3.32 -4.44 3.69 6.02 -0.64 -5.04 117.38 116.83 2knb n GLN 64 Ca 0.14 0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 2knb n GLN 64 Cb 0.33 -4.99 -0.12 0.00 1.02 0.00 0.00 30.24 26.48 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 -3.65 3.82 -0.05 1.08 0.01 -1.19 -4.96 113.70 108.74 2knb s SER 65 Ca 0.19 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2knb s SER 65 Cb -0.03 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2knb s SER 65 CO 0.57 0.21 0.01 -0.51 0.41 0.00 0.00 173.24 173.93 2knb s ILE 66 N -1.06 4.30 0.04 1.44 2.07 -1.26 -0.26 121.20 126.48 2knb s ILE 66 Ca 0.17 -0.36 0.06 0.00 -1.41 0.00 0.00 60.65 59.10 2knb s ILE 66 Cb -0.10 -2.85 -0.02 0.00 0.13 0.00 0.00 42.46 39.61 2knb s ILE 66 CO 0.08 0.52 -0.16 0.68 -1.91 0.00 0.00 174.94 174.15 2knb s VAL 67 N -0.97 1.26 -0.34 4.00 -7.23 0.77 -4.81 120.40 113.08 2knb s VAL 67 Ca 0.16 -1.07 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 2knb s VAL 67 Cb -0.11 -1.13 0.05 0.00 0.56 0.00 0.00 36.38 35.74 2knb s VAL 67 CO 0.06 0.05 0.10 -2.28 -0.31 0.00 0.00 175.10 172.72 2knb s HIS 68 N -0.85 3.27 -0.43 2.82 2.46 -0.80 -1.05 115.29 120.71 2knb s HIS 68 Ca 0.03 -1.52 -0.13 0.00 0.47 0.00 0.00 55.06 53.91 2knb s HIS 68 Cb -0.08 -2.34 0.06 0.00 -0.13 0.00 0.00 32.58 30.09 2knb s HIS 68 CO 0.01 -0.76 0.31 0.42 -2.47 0.00 0.00 174.74 172.26 2knb s ILE 69 N 1.37 4.82 0.22 0.89 1.01 0.13 -0.52 121.20 129.13 2knb s ILE 69 Ca -0.01 -1.06 0.10 0.00 0.00 0.00 0.00 60.65 59.68 2knb s ILE 69 Cb -0.20 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2knb s ILE 69 CO 0.02 -0.45 -0.14 0.68 0.00 0.00 0.00 174.94 175.04 2knb s VAL 70 N 1.57 2.85 -0.31 2.92 -7.23 -0.73 -3.55 120.40 115.92 2knb s VAL 70 Ca 0.03 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.00 2knb s VAL 70 Cb -0.22 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 2knb s VAL 70 CO 0.06 -0.22 0.76 -1.58 -0.31 0.00 0.00 175.10 173.81 2knb s GLN 71 N -3.08 3.94 -0.38 4.82 -0.44 -1.26 -0.64 119.66 122.62 2knb s GLN 71 Ca 0.26 0.52 -0.08 0.00 -2.50 0.00 0.00 55.36 53.56 2knb s GLN 71 Cb -0.07 -3.73 0.06 0.00 -1.64 0.00 0.00 33.01 27.62 2knb s GLN 71 CO 0.14 -0.67 0.18 0.50 0.50 0.00 0.00 175.29 175.95 2knb s ARG 72 N 2.90 2.61 0.54 1.67 3.52 0.84 -4.97 118.95 126.07 2knb s ARG 72 Ca 0.31 -1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 54.39 2knb s ARG 72 Cb -0.14 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.57 2knb s ARG 72 CO 0.13 -0.80 1.27 -1.25 -0.81 0.00 0.00 175.30 173.84 2knb s PRO 73 N 1.42 3.21 -0.54 5.12 0.04 -1.26 -4.76 135.00 138.23 2knb s PRO 73 Ca 0.01 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2knb s PRO 73 Cb -0.21 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.28 2knb s PRO 73 CO 0.03 -1.07 0.33 -0.65 0.04 0.00 0.00 177.00 175.68 2knb s GLN 74 N -2.98 2.29 -0.73 4.56 -1.52 -1.26 -5.03 119.66 114.98 2knb s GLN 74 Ca 0.72 -2.29 -0.20 0.00 -1.95 0.00 0.00 55.36 51.63 2knb s GLN 74 Cb -0.35 -3.63 0.10 0.00 -0.22 0.00 0.00 33.01 28.91 2knb s GLN 74 CO 0.41 -1.13 0.96 0.50 -0.25 0.00 0.00 175.29 175.78 2knb s ARG 75 N 0.33 3.25 0.00 2.91 3.52 -1.26 -5.23 118.95 122.47 2knb s ARG 75 Ca 0.14 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2knb s ARG 75 Cb -0.22 -4.45 0.00 0.00 -1.56 0.00 0.00 34.95 28.73 2knb s ARG 75 CO -0.03 -1.74 0.00 0.36 -0.81 0.00 0.00 175.30 173.08