#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 5.33 0.07 2.02 -1.09 -1.26 0.36 121.20 126.63 2knb s ILE 2 Ca 0.00 0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.85 2knb s ILE 2 Cb 0.00 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 2knb s ILE 2 CO 0.00 0.37 -0.20 0.68 -1.23 0.00 0.00 174.94 174.56 2knb s VAL 3 N 0.77 1.61 -0.32 2.92 -7.23 -0.17 -0.39 120.40 117.59 2knb s VAL 3 Ca 0.12 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 2knb s VAL 3 Cb -0.13 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2knb s VAL 3 CO 0.03 0.05 0.29 -0.36 -0.31 0.00 0.00 175.10 174.80 2knb s PHE 4 N -0.99 3.22 -0.27 2.82 0.08 0.71 -0.13 117.98 123.43 2knb s PHE 4 Ca 0.06 0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 2knb s PHE 4 Cb -0.09 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2knb s PHE 4 CO 0.03 -0.33 0.21 0.08 -0.10 0.00 0.00 175.22 175.11 2knb s VAL 5 N 1.89 5.30 -0.29 -0.44 1.01 0.06 -0.09 120.40 127.85 2knb s VAL 5 Ca 0.10 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2knb s VAL 5 Cb -0.17 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2knb s VAL 5 CO 0.11 0.26 0.07 -0.60 0.00 0.00 0.00 175.10 174.94 2knb s ARG 6 N 1.64 3.07 -0.64 2.72 3.52 0.41 -0.73 118.95 128.95 2knb s ARG 6 Ca 0.08 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.76 2knb s ARG 6 Cb -0.15 -3.33 0.17 0.00 -1.56 0.00 0.00 34.95 30.07 2knb s ARG 6 CO 0.09 -0.44 0.48 0.12 -0.81 0.00 0.00 175.30 174.75 2knb s PHE 7 N 1.48 3.50 -1.21 5.12 5.36 -1.26 0.07 117.98 131.04 2knb s PHE 7 Ca 0.02 -2.44 -0.04 0.00 -0.96 0.00 0.00 56.93 53.51 2knb s PHE 7 Cb -0.17 -3.37 0.03 0.00 -0.34 0.00 0.00 43.02 39.17 2knb s PHE 7 CO 0.02 -0.90 0.27 -1.71 -1.46 0.00 0.00 175.22 171.43 2knb n ASN 8 N 3.83 -4.12 -1.64 6.13 5.15 -1.22 -4.92 115.26 118.47 2knb n ASN 8 Ca 0.07 -0.09 -0.02 0.00 -0.60 0.00 0.00 54.58 53.93 2knb n ASN 8 Cb 0.40 -3.43 -0.01 0.00 -0.53 0.00 0.00 39.78 36.21 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 -2.08 0.91 -0.03 1.20 2.88 -1.26 -5.09 113.62 110.16 2knb n SER 9 Ca -0.09 -1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 56.06 2knb n SER 9 Cb 0.59 0.09 -0.13 0.00 -0.75 0.00 0.00 64.21 64.00 2knb n SER 9 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2knb h SER 10 N 0.13 0.28 -4.01 -3.46 0.02 -1.98 -3.49 113.55 101.04 2knb h SER 10 Ca -0.03 -0.80 -0.01 0.00 -0.84 0.00 0.00 61.79 60.12 2knb h SER 10 Cb 0.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2knb h SER 10 CO 0.04 1.72 -0.00 0.00 -1.14 0.00 0.00 176.83 177.45 2knb n TYR 11 N -3.84 -2.92 -3.96 3.45 4.11 -1.26 -5.08 117.16 107.66 2knb n TYR 11 Ca -0.31 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.90 57.47 2knb n TYR 11 Cb 0.92 -0.01 -0.10 0.00 -0.00 0.00 0.00 39.34 40.14 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 -2.01 0.21 -0.14 -7.48 0.00 -1.26 -4.41 107.32 92.23 2knb s GLY 12 Ca 0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 2knb s GLY 12 CO 0.00 -0.65 0.09 -0.11 0.00 0.00 0.00 173.10 172.44 2knb s PHE 13 N -1.85 3.40 -0.02 1.90 -0.12 0.09 -4.73 117.98 116.65 2knb s PHE 13 Ca -0.12 0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.79 2knb s PHE 13 Cb -0.06 -1.98 -0.05 0.00 -0.63 0.00 0.00 43.02 40.30 2knb s PHE 13 CO -0.02 0.48 1.29 -1.25 -0.05 0.00 0.00 175.22 175.68 2knb s PRO 14 N -0.46 4.33 -0.06 1.99 0.04 -1.26 -0.76 135.00 138.82 2knb s PRO 14 Ca 0.11 1.82 0.06 0.00 0.04 0.00 0.00 61.00 63.02 2knb s PRO 14 Cb -0.12 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 2knb s PRO 14 CO 0.02 -0.49 -0.23 0.08 0.04 0.00 0.00 177.00 176.41 2knb s VAL 15 N 2.20 1.94 -0.39 -0.36 1.01 0.82 -4.92 120.40 120.70 2knb s VAL 15 Ca 0.60 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 2knb s VAL 15 Cb -0.28 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2knb s VAL 15 CO 0.25 0.54 0.74 -0.70 0.00 0.00 0.00 175.10 175.93 2knb s GLU 16 N -0.06 3.62 0.36 2.72 2.56 -1.26 -1.00 118.70 125.63 2knb s GLU 16 Ca -0.05 0.11 0.05 0.00 0.00 0.00 0.00 54.97 55.08 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 0.04 -0.90 0.03 0.14 -0.56 0.00 0.00 175.26 174.01 2knb s VAL 17 N 3.05 1.60 0.40 3.70 -7.23 0.16 -4.89 120.40 117.18 2knb s VAL 17 Ca 0.29 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2knb s VAL 17 Cb -0.13 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 2knb s VAL 17 CO 0.18 -0.02 0.18 1.51 -0.31 0.00 0.00 175.10 176.64 2knb s ASP 18 N -3.58 4.49 0.49 4.85 -4.77 -1.26 0.28 116.67 117.15 2knb s ASP 18 Ca 0.35 -1.01 0.18 0.00 -3.30 0.00 0.00 52.55 48.78 2knb s ASP 18 Cb 0.09 -0.52 1.21 0.00 -1.09 0.00 0.00 42.92 42.60 2knb s ASP 18 CO 0.16 -0.50 2.02 0.28 0.70 0.00 0.00 175.17 177.84 2knb h SER 19 N 1.44 0.16 -0.48 2.11 0.02 -1.97 -1.28 113.55 113.55 2knb h SER 19 Ca -0.43 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 2knb h SER 19 Cb 1.25 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 2knb h SER 19 CO 0.68 0.10 0.07 -0.67 -1.14 0.00 0.00 176.83 175.87 2knb n ASP 20 N -4.45 4.41 -4.72 3.07 2.03 -1.26 -0.15 116.55 115.47 2knb n ASP 20 Ca 0.07 -3.15 -0.42 0.00 0.52 0.00 0.00 54.79 51.81 2knb n ASP 20 Cb 0.39 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 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 -2.92 3.69 0.29 5.18 2.01 -0.48 -4.79 115.64 118.61 2knb s THR 21 Ca 0.49 1.25 -0.13 0.00 0.31 0.00 0.00 61.69 63.62 2knb s THR 21 Cb 0.39 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 69.02 2knb s THR 21 CO 0.11 0.12 0.66 -0.44 -0.69 0.00 0.00 174.62 174.38 2knb s SER 22 N 0.86 6.71 0.26 3.53 0.01 -1.26 -1.80 113.70 122.01 2knb s SER 22 Ca 0.59 1.13 -0.03 0.00 1.31 0.00 0.00 55.95 58.96 2knb s SER 22 Cb -0.33 -2.31 0.43 0.00 0.21 0.00 0.00 66.02 64.02 2knb s SER 22 CO 0.31 -0.15 1.84 0.40 0.41 0.00 0.00 173.24 176.05 2knb h ILE 23 N 1.97 0.97 -0.90 1.44 1.08 -0.90 -1.23 117.51 119.93 2knb h ILE 23 Ca -0.47 -0.33 0.17 0.00 -0.39 0.00 0.00 64.86 63.84 2knb h ILE 23 Cb 1.17 -0.07 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 2knb h ILE 23 CO 0.67 0.17 0.48 0.15 -0.69 0.00 0.00 178.15 178.94 2knb h PHE 24 N 0.96 0.84 -0.03 1.37 3.57 -1.61 0.32 116.94 122.36 2knb h PHE 24 Ca 0.43 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2knb h PHE 24 Cb 0.33 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2knb h PHE 24 CO -0.03 0.16 0.00 1.96 -2.23 0.00 0.00 178.31 178.18 2knb h GLN 25 N 0.63 0.05 -0.52 1.11 4.20 -1.55 -0.92 115.11 118.11 2knb h GLN 25 Ca 0.52 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.31 2knb h GLN 25 Cb 0.80 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2knb h GLN 25 CO -0.40 0.33 0.36 1.25 -0.67 0.00 0.00 178.83 179.70 2knb h LEU 26 N -0.23 0.26 -0.23 1.46 5.85 -0.96 -0.43 115.31 121.04 2knb h LEU 26 Ca 0.01 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2knb h LEU 26 Cb 0.30 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2knb h LEU 26 CO 0.00 0.16 -0.25 0.11 -0.34 0.00 0.00 178.44 178.12 2knb h LYS 27 N 0.29 0.57 -0.72 1.25 1.57 -0.62 -3.12 116.57 115.80 2knb h LYS 27 Ca 0.24 -0.31 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2knb h LYS 27 Cb 0.57 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2knb h LYS 27 CO -0.05 0.91 0.48 0.93 -0.57 0.00 0.00 179.45 181.14 2knb h GLU 28 N 0.26 0.73 -0.95 3.15 5.08 0.31 0.62 114.58 123.78 2knb h GLU 28 Ca 0.03 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2knb h GLU 28 Cb 0.82 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2knb h GLU 28 CO 0.06 0.48 0.62 0.28 -1.00 0.00 0.00 179.01 179.45 2knb h VAL 29 N 0.75 1.09 0.16 3.13 2.07 -1.27 0.44 116.25 122.62 2knb h VAL 29 Ca 0.31 -0.38 -0.30 0.00 0.82 0.00 0.00 66.70 67.15 2knb h VAL 29 Cb 0.26 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2knb h VAL 29 CO -0.10 0.20 -1.42 0.58 0.02 0.00 0.00 177.57 176.85 2knb h VAL 30 N 1.11 1.31 -0.89 2.57 2.07 -1.35 -3.11 116.25 117.97 2knb h VAL 30 Ca 0.40 -2.87 0.03 0.00 0.82 0.00 0.00 66.70 65.09 2knb h VAL 30 Cb 0.16 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 2knb h VAL 30 CO -0.15 0.85 0.58 0.00 0.02 0.00 0.00 177.57 178.87 2knb h ALA 31 N 0.43 1.16 0.00 1.67 0.00 -0.19 0.13 119.26 122.46 2knb h ALA 31 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2knb h ALA 31 Cb 2.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2knb h ALA 31 CO 0.21 0.45 0.00 1.57 0.00 0.00 0.00 179.25 181.47 2knb h LYS 32 N 1.13 0.00 0.16 0.00 5.09 -1.04 0.51 116.57 122.43 2knb h LYS 32 Ca 0.35 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.76 2knb h LYS 32 Cb -0.02 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.31 2knb h LYS 32 CO -0.11 0.00 -1.63 -0.09 -2.09 0.00 0.00 179.45 175.53 2knb h ARG 33 N 0.00 0.35 0.00 0.07 2.43 -1.16 -3.37 114.38 112.70 2knb h ARG 33 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2knb h ARG 33 Cb 0.86 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2knb h ARG 33 CO 0.00 1.24 -1.66 1.04 -1.51 0.00 0.00 179.97 179.08 2knb n GLN 34 N -3.54 0.46 -2.61 0.20 1.13 0.34 -5.00 117.38 108.36 2knb n GLN 34 Ca -0.20 -0.13 -0.06 0.00 -1.94 0.00 0.00 57.00 54.67 2knb n GLN 34 Cb 1.07 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 29.92 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 1.33 0.37 3.10 1.08 0.00 0.13 -5.06 105.19 106.14 2knb n GLY 35 Ca -0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 1.23 -0.16 1.61 1.01 -0.95 -5.06 120.40 114.99 2knb s VAL 36 Ca 0.08 -0.62 -0.38 0.00 0.00 0.00 0.00 61.98 61.07 2knb s VAL 36 Cb -0.04 -1.06 -0.15 0.00 0.00 0.00 0.00 36.38 35.14 2knb s VAL 36 CO 0.21 0.36 1.70 -0.81 0.00 0.00 0.00 175.10 176.56 2knb n PRO 37 N 3.11 1.43 0.29 2.72 -0.04 -1.26 -4.54 135.00 136.71 2knb n PRO 37 Ca -0.18 0.52 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 2knb n PRO 37 Cb 0.54 -2.24 0.98 0.00 -0.04 0.00 0.00 33.50 32.74 2knb n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2knb h ALA 38 N 7.17 1.42 0.00 0.55 0.00 -1.91 -0.45 119.26 126.04 2knb h ALA 38 Ca -0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2knb h ALA 38 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2knb h ALA 38 CO 0.93 -0.14 -0.22 -0.44 0.00 0.00 0.00 179.25 179.38 2knb h ASP 39 N 0.00 0.00 -0.61 0.00 3.32 -1.99 -2.71 116.42 114.43 2knb h ASP 39 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2knb h ASP 39 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2knb h ASP 39 CO -0.00 0.22 0.08 0.00 -1.72 0.00 0.00 179.24 177.82 2knb n GLN 40 N -3.56 4.48 -4.94 3.56 6.02 -0.18 -4.91 117.38 117.86 2knb n GLN 40 Ca -0.01 -3.05 -0.33 0.00 -0.01 0.00 0.00 57.00 53.61 2knb n GLN 40 Cb 0.36 -2.24 -0.14 0.00 1.02 0.00 0.00 30.24 29.24 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 -2.75 2.59 0.15 1.08 1.43 -1.03 0.58 118.68 120.74 2knb s LEU 41 Ca 0.53 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.43 2knb s LEU 41 Cb 0.41 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2knb s LEU 41 CO 0.15 0.27 -0.23 -0.13 0.23 0.00 0.00 176.35 176.64 2knb s ARG 42 N -0.31 1.37 -0.19 1.70 1.81 0.54 -4.88 118.95 118.99 2knb s ARG 42 Ca 0.02 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 2knb s ARG 42 Cb -0.13 -1.67 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 2knb s ARG 42 CO 0.03 0.37 -0.16 0.08 -0.68 0.00 0.00 175.30 174.94 2knb s VAL 43 N -1.49 2.33 -0.20 3.52 1.01 -1.26 -1.34 120.40 122.97 2knb s VAL 43 Ca 0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2knb s VAL 43 Cb -0.08 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2knb s VAL 43 CO 0.07 0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.95 2knb s ILE 44 N 1.31 3.26 -0.07 2.22 1.01 0.59 -0.07 121.20 129.45 2knb s ILE 44 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2knb s ILE 44 Cb -0.14 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.90 2knb s ILE 44 CO -0.11 0.46 -0.07 0.12 0.00 0.00 0.00 174.94 175.34 2knb s PHE 45 N 1.16 1.09 -1.33 3.97 5.36 0.98 -0.49 117.98 128.71 2knb s PHE 45 Ca 0.02 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2knb s PHE 45 Cb -0.14 -0.91 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 2knb s PHE 45 CO -0.02 -0.30 0.24 0.00 -1.46 0.00 0.00 175.22 173.68 2knb n ALA 46 N 4.31 -0.86 -1.01 11.12 0.00 -1.26 -0.37 120.51 132.45 2knb n ALA 46 Ca -0.19 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2knb n ALA 46 Cb 0.51 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.07 0.41 2.99 0.00 0.00 -1.26 -5.04 105.19 101.22 2knb n GLY 47 Ca -0.13 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.84 1.59 -0.28 1.61 1.02 0.51 -5.10 119.74 117.25 2knb s LYS 48 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 2knb s LYS 48 Cb 0.00 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2knb s LYS 48 CO 0.00 -0.05 1.16 -1.21 -0.92 0.00 0.00 175.35 174.33 2knb s GLU 49 N 0.91 4.08 0.16 1.68 2.02 -1.26 -0.02 118.70 126.28 2knb s GLU 49 Ca -0.10 1.26 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 2knb s GLU 49 Cb -0.15 -3.76 -0.07 0.00 0.10 0.00 0.00 34.13 30.25 2knb s GLU 49 CO 0.01 -0.88 1.04 -0.51 0.02 0.00 0.00 175.26 174.94 2knb s LEU 50 N 3.74 4.50 0.19 1.80 1.43 0.89 -4.98 118.68 126.26 2knb s LEU 50 Ca 0.49 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 2knb s LEU 50 Cb -0.15 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 2knb s LEU 50 CO 0.16 -0.15 1.30 -1.10 0.23 0.00 0.00 176.35 176.79 2knb s GLN 51 N -0.29 4.40 0.47 1.70 -0.21 -1.26 -4.53 119.66 119.93 2knb s GLN 51 Ca 0.48 2.03 0.26 0.00 0.02 0.00 0.00 55.36 58.15 2knb s GLN 51 Cb -0.27 -3.21 1.31 0.00 1.00 0.00 0.00 33.01 31.84 2knb s GLN 51 CO 0.33 -0.25 1.81 -0.97 -2.12 0.00 0.00 175.29 174.09 2knb h ASN 52 N 5.50 0.22 -0.49 5.90 -1.24 -1.94 0.43 115.58 123.97 2knb h ASN 52 Ca -0.44 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.61 2knb h ASN 52 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2knb h ASN 52 CO 0.78 0.05 0.00 1.57 -1.29 0.00 0.00 177.43 178.54 2knb n HIS 53 N -4.41 0.76 -3.10 0.67 -0.00 -1.26 -1.76 115.22 106.12 2knb n HIS 53 Ca 0.24 -0.35 -0.27 0.00 0.46 0.00 0.00 57.72 57.80 2knb n HIS 53 Cb 0.99 -0.05 -0.02 0.00 -0.12 0.00 0.00 29.99 30.80 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 -1.11 3.89 0.33 0.27 1.43 0.14 -4.89 118.68 118.74 2knb s LEU 54 Ca 0.34 0.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 2knb s LEU 54 Cb 0.19 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2knb s LEU 54 CO 0.21 -0.36 -0.04 0.42 0.23 0.00 0.00 176.35 176.81 2knb s THR 55 N -2.38 2.57 0.13 5.49 -4.23 -1.26 -0.56 115.64 115.38 2knb s THR 55 Ca 0.44 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.66 2knb s THR 55 Cb -0.10 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2knb s THR 55 CO 0.37 -0.23 1.69 0.58 -0.54 0.00 0.00 174.62 176.48 2knb h VAL 56 N 1.92 0.70 0.00 2.29 2.07 -1.29 -1.03 116.25 120.91 2knb h VAL 56 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2knb h VAL 56 Cb 1.25 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2knb h VAL 56 CO 0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.26 2knb n GLN 57 N -5.25 0.69 -0.15 1.57 10.64 0.78 -2.30 117.38 123.36 2knb n GLN 57 Ca -0.03 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.20 2knb n GLN 57 Cb 0.17 -1.23 0.13 0.00 -0.86 0.00 0.00 30.24 28.45 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 -0.73 2.69 -1.47 2.61 2.85 -0.40 -5.03 115.26 115.78 2knb n ASN 58 Ca 0.08 -2.63 -0.03 0.00 -0.11 0.00 0.00 54.58 51.88 2knb n ASN 58 Cb 0.04 -0.32 -0.01 0.00 1.24 0.00 0.00 39.78 40.73 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 -1.96 2.84 -4.71 0.00 9.92 -1.26 -4.87 116.55 116.50 2knb n ASP 60 Ca 0.00 -2.26 -0.37 0.00 -0.53 0.00 0.00 54.79 51.63 2knb n ASP 60 Cb 0.14 -0.55 -0.07 0.00 -0.64 0.00 0.00 41.12 39.99 2knb n ASP 60 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2knb s LEU 61 N -0.57 4.22 0.00 0.64 1.43 -1.26 -5.05 118.68 118.09 2knb s LEU 61 Ca 0.10 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2knb s LEU 61 Cb 0.08 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2knb s LEU 61 CO 0.02 0.05 0.00 -1.84 0.23 0.00 0.00 176.35 174.81 2knb n GLU 62 N 3.79 0.00 -1.80 1.70 0.28 -1.26 -4.73 120.64 118.62 2knb n GLU 62 Ca -0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.48 2knb n GLU 62 Cb 0.52 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.37 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 -1.82 4.14 -1.34 3.44 2.00 -1.26 -2.38 119.66 122.44 2knb s GLN 63 Ca 0.00 2.54 0.00 0.00 -2.00 0.00 0.00 55.36 55.90 2knb s GLN 63 Cb 0.00 -3.05 0.00 0.00 0.80 0.00 0.00 33.01 30.76 2knb s GLN 63 CO 0.00 -0.64 0.00 1.04 -0.50 0.00 0.00 175.29 175.19 2knb n GLN 64 N 2.77 -0.97 -2.84 1.67 6.02 0.47 -4.99 117.38 119.52 2knb n GLN 64 Ca 0.10 0.88 -0.41 0.00 -0.01 0.00 0.00 57.00 57.57 2knb n GLN 64 Cb 0.37 -5.00 -0.05 0.00 1.02 0.00 0.00 30.24 26.59 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 -2.73 7.37 -0.12 1.08 0.01 -1.00 -4.75 113.70 113.56 2knb s SER 65 Ca 0.00 1.64 -0.05 0.00 1.31 0.00 0.00 55.95 58.85 2knb s SER 65 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2knb s SER 65 CO 0.00 -0.03 0.06 -0.51 0.41 0.00 0.00 173.24 173.17 2knb s ILE 66 N -0.02 4.84 0.16 1.44 2.07 -1.26 -0.21 121.20 128.22 2knb s ILE 66 Ca 0.43 -0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.70 2knb s ILE 66 Cb -0.22 -3.09 -0.04 0.00 0.13 0.00 0.00 42.46 39.23 2knb s ILE 66 CO 0.27 0.58 -0.15 0.68 -1.91 0.00 0.00 174.94 174.40 2knb s VAL 67 N -0.66 1.58 -0.30 4.00 -7.23 0.88 -4.68 120.40 114.00 2knb s VAL 67 Ca 0.12 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2knb s VAL 67 Cb -0.12 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.09 2knb s VAL 67 CO 0.02 -0.45 -0.02 -2.28 -0.31 0.00 0.00 175.10 172.06 2knb s HIS 68 N -2.41 3.32 -0.33 2.82 2.46 0.35 -0.44 115.29 121.06 2knb s HIS 68 Ca 0.15 -2.11 -0.12 0.00 0.47 0.00 0.00 55.06 53.44 2knb s HIS 68 Cb -0.04 -2.17 -0.02 0.00 -0.13 0.00 0.00 32.58 30.22 2knb s HIS 68 CO 0.05 -0.85 0.22 0.42 -2.47 0.00 0.00 174.74 172.12 2knb s ILE 69 N 1.18 5.23 0.17 0.89 1.01 0.11 -0.30 121.20 129.49 2knb s ILE 69 Ca -0.05 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.51 2knb s ILE 69 Cb -0.20 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2knb s ILE 69 CO -0.03 0.05 -0.14 0.68 0.00 0.00 0.00 174.94 175.49 2knb s VAL 70 N 1.72 1.57 -0.11 2.92 -7.23 -0.45 -3.37 120.40 115.46 2knb s VAL 70 Ca 0.06 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 2knb s VAL 70 Cb -0.17 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 2knb s VAL 70 CO 0.10 -0.54 1.06 -1.58 -0.31 0.00 0.00 175.10 173.84 2knb s GLN 71 N -3.32 4.39 -0.41 4.82 -0.44 -1.26 -0.34 119.66 123.09 2knb s GLN 71 Ca 0.18 1.46 -0.13 0.00 -2.50 0.00 0.00 55.36 54.37 2knb s GLN 71 Cb -0.02 -3.56 0.04 0.00 -1.64 0.00 0.00 33.01 27.83 2knb s GLN 71 CO 0.05 -0.39 0.28 0.50 0.50 0.00 0.00 175.29 176.24 2knb s ARG 72 N 2.21 2.86 0.04 1.67 6.06 0.19 -4.93 118.95 127.07 2knb s ARG 72 Ca 0.50 -1.19 -0.31 0.00 -2.50 0.00 0.00 55.73 52.24 2knb s ARG 72 Cb -0.20 -3.90 -0.07 0.00 0.06 0.00 0.00 34.95 30.84 2knb s ARG 72 CO 0.18 -0.83 1.48 -1.25 -2.50 0.00 0.00 175.30 172.37 2knb s PRO 73 N 1.59 4.26 -0.54 5.12 0.04 -1.26 -4.72 135.00 139.49 2knb s PRO 73 Ca 0.03 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2knb s PRO 73 Cb -0.21 -3.51 0.10 0.00 0.04 0.00 0.00 34.50 30.92 2knb s PRO 73 CO 0.07 -0.60 0.57 1.14 0.04 0.00 0.00 177.00 178.22 2knb s GLN 74 N 2.22 3.03 -0.78 4.56 -2.07 -1.26 -5.00 119.66 120.36 2knb s GLN 74 Ca 0.67 -1.40 -0.11 0.00 -1.82 0.00 0.00 55.36 52.69 2knb s GLN 74 Cb -0.35 -4.23 0.20 0.00 -1.09 0.00 0.00 33.01 27.54 2knb s GLN 74 CO 0.29 -1.34 0.69 0.50 -1.32 0.00 0.00 175.29 174.10 2knb s ARG 75 N 2.14 3.35 0.00 9.60 3.52 -1.26 -5.24 118.95 131.06 2knb s ARG 75 Ca 0.08 -2.48 0.00 0.00 -0.13 0.00 0.00 55.73 53.20 2knb s ARG 75 Cb -0.26 -4.26 0.00 0.00 -1.56 0.00 0.00 34.95 28.87 2knb s ARG 75 CO 0.06 -1.26 0.00 1.17 -0.81 0.00 0.00 175.30 174.46