#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 5.16 0.05 2.02 -1.09 -1.26 -0.49 121.20 125.59 2knb s ILE 2 Ca 0.00 0.93 0.07 0.00 -2.23 0.00 0.00 60.65 59.43 2knb s ILE 2 Cb 0.00 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2knb s ILE 2 CO 0.00 0.26 -0.20 0.68 -1.23 0.00 0.00 174.94 174.44 2knb s VAL 3 N 1.10 1.64 -0.32 2.92 -7.23 -0.75 -1.22 120.40 116.55 2knb s VAL 3 Ca 0.25 -1.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 2knb s VAL 3 Cb -0.15 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 2knb s VAL 3 CO 0.10 0.16 0.20 -0.36 -0.31 0.00 0.00 175.10 174.89 2knb s PHE 4 N -0.85 3.21 -0.23 2.82 0.08 -0.23 -0.15 117.98 122.62 2knb s PHE 4 Ca 0.07 -0.20 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 2knb s PHE 4 Cb -0.09 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 2knb s PHE 4 CO 0.02 -0.33 0.24 0.08 -0.10 0.00 0.00 175.22 175.14 2knb s VAL 5 N 1.71 5.30 -0.26 -0.44 1.01 -0.11 0.28 120.40 127.89 2knb s VAL 5 Ca 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 2knb s VAL 5 Cb -0.17 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2knb s VAL 5 CO 0.10 0.30 -0.03 -0.60 0.00 0.00 0.00 175.10 174.87 2knb s ARG 6 N 1.22 2.87 -0.71 2.72 3.52 -0.25 -1.72 118.95 126.60 2knb s ARG 6 Ca 0.11 -0.96 -0.06 0.00 -0.13 0.00 0.00 55.73 54.69 2knb s ARG 6 Cb -0.14 -3.06 0.18 0.00 -1.56 0.00 0.00 34.95 30.37 2knb s ARG 6 CO 0.06 -0.41 0.56 0.12 -0.81 0.00 0.00 175.30 174.82 2knb s PHE 7 N 1.36 3.54 -1.21 5.12 5.36 -1.26 -1.38 117.98 129.51 2knb s PHE 7 Ca 0.00 -2.56 -0.17 0.00 -0.96 0.00 0.00 56.93 53.24 2knb s PHE 7 Cb -0.17 -3.37 -0.00 0.00 -0.34 0.00 0.00 43.02 39.14 2knb s PHE 7 CO -0.03 -0.87 0.70 -1.71 -1.46 0.00 0.00 175.22 171.85 2knb n ASN 8 N 3.49 -4.00 -1.23 6.13 5.15 -1.26 -4.96 115.26 118.59 2knb n ASN 8 Ca 0.11 -1.04 -0.02 0.00 -0.60 0.00 0.00 54.58 53.03 2knb n ASN 8 Cb 0.40 -3.14 -0.00 0.00 -0.53 0.00 0.00 39.78 36.51 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 -2.70 -0.19 -0.08 1.20 2.88 -1.26 -5.08 113.62 108.39 2knb n SER 9 Ca -0.15 -1.22 -0.23 0.00 -1.33 0.00 0.00 58.87 55.95 2knb n SER 9 Cb 0.61 0.34 -0.12 0.00 -0.75 0.00 0.00 64.21 64.29 2knb n SER 9 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2knb n SER 10 N -1.82 1.98 -2.04 -3.46 7.64 -1.26 -5.00 113.62 109.67 2knb n SER 10 Ca -0.00 0.27 -0.00 0.00 1.01 0.00 0.00 58.87 60.14 2knb n SER 10 Cb 0.07 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2knb n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2knb n TYR 11 N -3.94 -3.10 -3.68 1.43 0.18 -1.26 -5.09 117.16 101.70 2knb n TYR 11 Ca -0.38 -0.03 -0.12 0.00 1.88 0.00 0.00 57.90 59.25 2knb n TYR 11 Cb 0.88 -0.01 -0.06 0.00 -0.38 0.00 0.00 39.34 39.77 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 -2.14 -0.24 -0.11 -7.48 0.00 -1.26 -4.54 107.32 91.54 2knb s GLY 12 Ca 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.90 2knb s GLY 12 CO 0.01 -0.03 0.06 -0.11 0.00 0.00 0.00 173.10 173.02 2knb s PHE 13 N -2.56 3.31 -0.09 1.90 -0.71 -0.70 -4.77 117.98 114.36 2knb s PHE 13 Ca -0.05 0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 2knb s PHE 13 Cb -0.01 -1.89 -0.02 0.00 -1.21 0.00 0.00 43.02 39.90 2knb s PHE 13 CO -0.03 0.50 1.02 -1.25 -1.34 0.00 0.00 175.22 174.11 2knb s PRO 14 N -0.70 4.44 -0.10 1.99 0.04 -1.26 -0.93 135.00 138.48 2knb s PRO 14 Ca 0.12 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2knb s PRO 14 Cb -0.12 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 2knb s PRO 14 CO 0.02 -0.29 -0.15 0.08 0.04 0.00 0.00 177.00 176.71 2knb s VAL 15 N 1.88 2.93 -0.65 -0.36 1.01 0.78 -4.90 120.40 121.09 2knb s VAL 15 Ca 0.49 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 2knb s VAL 15 Cb -0.19 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.05 2knb s VAL 15 CO 0.20 0.55 1.05 -0.70 0.00 0.00 0.00 175.10 176.19 2knb s GLU 16 N -0.05 3.19 0.45 2.72 2.56 -1.26 -1.81 118.70 124.51 2knb s GLU 16 Ca -0.03 -0.53 0.05 0.00 0.00 0.00 0.00 54.97 54.46 2knb s GLU 16 Cb -0.14 -4.17 -0.04 0.00 2.00 0.00 0.00 34.13 31.78 2knb s GLU 16 CO 0.04 -1.83 0.09 0.14 -0.56 0.00 0.00 175.26 173.14 2knb s VAL 17 N 4.49 1.79 0.36 3.70 -7.23 0.36 -4.88 120.40 118.99 2knb s VAL 17 Ca 0.28 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2knb s VAL 17 Cb -0.13 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.07 2knb s VAL 17 CO 0.14 0.00 -0.00 1.51 -0.31 0.00 0.00 175.10 176.44 2knb s ASP 18 N -3.87 3.35 0.53 4.85 -4.77 -1.26 0.64 116.67 116.14 2knb s ASP 18 Ca 0.27 -1.33 0.20 0.00 -3.30 0.00 0.00 52.55 48.40 2knb s ASP 18 Cb 0.05 -0.29 1.40 0.00 -1.09 0.00 0.00 42.92 42.99 2knb s ASP 18 CO 0.15 -0.44 2.16 0.28 0.70 0.00 0.00 175.17 178.02 2knb h SER 19 N 1.95 0.00 0.31 2.11 0.02 -1.96 -1.10 113.55 114.89 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 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2knb h SER 19 CO 0.75 0.02 -0.16 -0.67 -1.14 0.00 0.00 176.83 175.63 2knb n ASP 20 N -4.31 0.68 -4.76 3.07 2.03 -1.26 -1.16 116.55 110.84 2knb n ASP 20 Ca -0.03 -0.70 -0.41 0.00 0.52 0.00 0.00 54.79 54.17 2knb n ASP 20 Cb 0.10 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.48 2.47 0.20 5.18 2.01 -0.42 -4.76 115.64 117.85 2knb s THR 21 Ca 0.27 0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.61 2knb s THR 21 Cb 0.20 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 2knb s THR 21 CO 0.49 0.09 0.53 -0.44 -0.69 0.00 0.00 174.62 174.59 2knb s SER 22 N 0.04 6.65 0.23 3.53 0.01 -1.26 -1.02 113.70 121.88 2knb s SER 22 Ca 0.56 0.92 -0.07 0.00 1.31 0.00 0.00 55.95 58.67 2knb s SER 22 Cb -0.43 -2.22 0.33 0.00 0.21 0.00 0.00 66.02 63.91 2knb s SER 22 CO 0.51 -0.03 1.79 0.40 0.41 0.00 0.00 173.24 176.32 2knb h ILE 23 N 2.17 0.88 -0.91 1.44 1.08 -0.77 -1.43 117.51 119.97 2knb h ILE 23 Ca -0.47 -0.23 0.10 0.00 -0.39 0.00 0.00 64.86 63.87 2knb h ILE 23 Cb 1.17 0.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 2knb h ILE 23 CO 0.69 0.12 0.58 0.15 -0.69 0.00 0.00 178.15 179.00 2knb h PHE 24 N 0.66 0.98 -0.35 1.37 3.57 -1.55 -2.08 116.94 119.53 2knb h PHE 24 Ca 0.35 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 2knb h PHE 24 Cb 0.33 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2knb h PHE 24 CO -0.09 0.44 0.19 1.96 -2.23 0.00 0.00 178.31 178.58 2knb h GLN 25 N 0.90 0.50 -0.20 1.11 4.20 -1.56 -1.91 115.11 118.15 2knb h GLN 25 Ca 0.42 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.13 2knb h GLN 25 Cb 0.42 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2knb h GLN 25 CO -0.19 0.42 0.15 1.25 -0.67 0.00 0.00 178.83 179.79 2knb h LEU 26 N 0.45 0.00 -0.16 1.46 5.85 -1.23 -1.66 115.31 120.02 2knb h LEU 26 Ca 0.12 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 2knb h LEU 26 Cb 0.06 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.10 2knb h LEU 26 CO -0.02 0.00 -0.68 0.11 -0.34 0.00 0.00 178.44 177.51 2knb h LYS 27 N 0.00 0.74 -0.57 1.25 1.57 -1.07 -3.12 116.57 115.39 2knb h LYS 27 Ca 0.10 -0.59 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 2knb h LYS 27 Cb 0.39 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2knb h LYS 27 CO -0.00 1.20 0.38 0.93 -0.57 0.00 0.00 179.45 181.39 2knb h GLU 28 N 0.46 0.44 -0.84 3.15 5.08 -0.77 0.20 114.58 122.30 2knb h GLU 28 Ca -0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2knb h GLU 28 Cb 1.31 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2knb h GLU 28 CO 0.14 0.29 0.50 0.28 -1.00 0.00 0.00 179.01 179.22 2knb h VAL 29 N 0.45 1.23 0.09 3.13 2.07 -1.44 -0.84 116.25 120.95 2knb h VAL 29 Ca 0.26 -0.51 -0.27 0.00 0.82 0.00 0.00 66.70 66.99 2knb h VAL 29 Cb 0.42 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2knb h VAL 29 CO -0.07 0.24 -1.17 0.58 0.02 0.00 0.00 177.57 177.18 2knb h VAL 30 N 1.15 1.37 -0.25 2.57 2.07 -1.21 -3.00 116.25 118.95 2knb h VAL 30 Ca 0.30 -2.61 0.04 0.00 0.82 0.00 0.00 66.70 65.25 2knb h VAL 30 Cb -0.05 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2knb h VAL 30 CO -0.06 0.78 0.02 0.00 0.02 0.00 0.00 177.57 178.33 2knb h ALA 31 N 0.49 0.23 0.00 1.67 0.00 -0.30 0.71 119.26 122.06 2knb h ALA 31 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knb h ALA 31 Cb 1.84 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2knb h ALA 31 CO 0.21 -0.41 0.00 1.57 0.00 0.00 0.00 179.25 180.62 2knb h LYS 32 N 0.10 0.00 0.16 0.00 2.10 -1.25 0.25 116.57 117.92 2knb h LYS 32 Ca 0.12 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.46 2knb h LYS 32 Cb 0.14 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2knb h LYS 32 CO -0.18 0.00 -1.49 -0.09 -2.00 0.00 0.00 179.45 175.69 2knb h ARG 33 N 0.00 0.34 0.00 0.07 2.43 -1.15 -3.37 114.38 112.69 2knb h ARG 33 Ca 0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2knb h ARG 33 Cb 0.62 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2knb h ARG 33 CO 0.00 1.28 -1.31 1.04 -1.51 0.00 0.00 179.97 179.47 2knb n GLN 34 N -3.80 0.40 -2.61 0.20 1.13 0.15 -4.99 117.38 107.87 2knb n GLN 34 Ca -0.23 -0.04 -0.05 0.00 -1.94 0.00 0.00 57.00 54.74 2knb n GLN 34 Cb 0.98 -1.59 0.02 0.00 0.11 0.00 0.00 30.24 29.76 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 0.53 3.11 1.08 0.00 0.79 -5.06 105.19 106.96 2knb n GLY 35 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.07 1.27 -0.15 1.61 1.01 -0.74 -5.04 120.40 115.29 2knb s VAL 36 Ca 0.09 -0.64 -0.40 0.00 0.00 0.00 0.00 61.98 61.04 2knb s VAL 36 Cb -0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 36.38 35.08 2knb s VAL 36 CO 0.16 0.37 1.53 -2.65 0.00 0.00 0.00 175.10 174.51 2knb n PRO 37 N 3.10 0.94 0.28 2.72 -0.02 -1.26 -4.40 135.00 136.37 2knb n PRO 37 Ca -0.18 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2knb n PRO 37 Cb 0.53 -1.98 0.82 0.00 -0.02 0.00 0.00 33.50 32.85 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 5.71 1.70 0.00 3.55 0.00 -1.91 -0.69 119.26 127.62 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 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2knb h ALA 38 CO 0.87 -0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.50 2knb h ASP 39 N 0.00 0.00 0.08 0.00 2.03 -1.97 -2.86 116.42 113.70 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 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2knb h ASP 39 CO -0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 179.24 178.10 2knb n GLN 40 N -2.49 1.39 -4.02 4.15 6.02 -0.27 -4.87 117.38 117.30 2knb n GLN 40 Ca 0.04 -0.86 -0.34 0.00 -0.01 0.00 0.00 57.00 55.83 2knb n GLN 40 Cb 0.38 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 -2.20 4.13 0.16 1.08 1.43 -1.08 -0.27 118.68 121.93 2knb s LEU 41 Ca 0.32 0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 2knb s LEU 41 Cb 0.20 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2knb s LEU 41 CO 0.41 0.32 -0.17 -0.13 0.23 0.00 0.00 176.35 177.00 2knb s ARG 42 N -1.52 1.23 -0.19 1.70 1.81 0.09 -4.88 118.95 117.20 2knb s ARG 42 Ca 0.21 -1.38 -0.00 0.00 -1.72 0.00 0.00 55.73 52.84 2knb s ARG 42 Cb -0.12 -1.24 0.01 0.00 -0.45 0.00 0.00 34.95 33.15 2knb s ARG 42 CO 0.11 0.25 -0.17 0.08 -0.68 0.00 0.00 175.30 174.90 2knb s VAL 43 N -2.09 2.35 -0.13 3.52 1.01 -1.26 -1.98 120.40 121.81 2knb s VAL 43 Ca 0.15 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2knb s VAL 43 Cb -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2knb s VAL 43 CO 0.06 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 2knb s ILE 44 N 1.32 2.36 -0.07 2.22 1.01 0.58 0.05 121.20 128.67 2knb s ILE 44 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2knb s ILE 44 Cb -0.13 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.41 2knb s ILE 44 CO -0.11 0.54 -0.02 0.12 0.00 0.00 0.00 174.94 175.48 2knb s PHE 45 N 0.65 0.75 -1.58 3.97 5.36 0.55 -0.87 117.98 126.81 2knb s PHE 45 Ca -0.10 -0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 2knb s PHE 45 Cb -0.16 -0.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.73 2knb s PHE 45 CO 0.02 -0.31 0.54 0.00 -1.46 0.00 0.00 175.22 174.02 2knb n ALA 46 N 4.83 -0.93 -1.06 11.12 0.00 -1.26 -1.25 120.51 131.96 2knb n ALA 46 Ca -0.12 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 2knb n ALA 46 Cb 0.50 -3.72 -0.01 0.00 0.00 0.00 0.00 19.45 16.22 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 -1.47 0.56 3.03 0.00 0.00 -1.26 -5.01 105.19 101.03 2knb n GLY 47 Ca -0.13 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.44 2.31 -0.29 1.61 1.02 -0.38 -5.10 119.74 117.47 2knb s LYS 48 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 2knb s LYS 48 Cb 0.00 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2knb s LYS 48 CO 0.00 -0.18 1.21 -2.00 -0.92 0.00 0.00 175.35 173.45 2knb s GLU 49 N 1.33 4.02 0.05 1.68 2.12 -1.26 -0.33 118.70 126.32 2knb s GLU 49 Ca 0.02 1.23 -0.30 0.00 0.36 0.00 0.00 54.97 56.28 2knb s GLU 49 Cb -0.13 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 2knb s GLU 49 CO -0.08 -0.98 1.05 -0.51 -0.54 0.00 0.00 175.26 174.20 2knb s LEU 50 N 3.97 4.40 0.19 2.70 1.43 0.11 -4.99 118.68 126.49 2knb s LEU 50 Ca 0.52 1.82 -0.31 0.00 -1.03 0.00 0.00 54.13 55.13 2knb s LEU 50 Cb -0.15 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 2knb s LEU 50 CO 0.19 -0.28 1.44 -1.10 0.23 0.00 0.00 176.35 176.82 2knb s GLN 51 N 0.71 4.29 0.55 1.70 -0.21 -1.26 -4.50 119.66 120.94 2knb s GLN 51 Ca 0.53 2.22 0.37 0.00 0.02 0.00 0.00 55.36 58.50 2knb s GLN 51 Cb -0.25 -3.17 2.00 0.00 1.00 0.00 0.00 33.01 32.59 2knb s GLN 51 CO 0.29 -0.44 2.14 -0.91 -2.12 0.00 0.00 175.29 174.25 2knb h ASN 52 N 5.94 0.00 0.04 5.90 -0.26 -1.94 -1.01 115.58 124.24 2knb h ASN 52 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 2knb h ASN 52 Cb 1.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2knb h ASN 52 CO 0.83 0.00 -0.09 1.57 -1.06 0.00 0.00 177.43 178.68 2knb n HIS 53 N -2.82 0.00 -2.84 1.19 -0.00 -1.26 -1.61 115.22 107.88 2knb n HIS 53 Ca -0.02 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.90 2knb n HIS 53 Cb 0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 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 -2.14 3.67 0.38 0.27 1.43 -0.39 -4.88 118.68 117.02 2knb s LEU 54 Ca 0.32 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2knb s LEU 54 Cb 0.20 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2knb s LEU 54 CO 0.39 -0.60 0.23 0.42 0.23 0.00 0.00 176.35 177.01 2knb s THR 55 N -2.64 2.75 0.16 5.49 -4.23 -1.26 -0.32 115.64 115.59 2knb s THR 55 Ca 0.47 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2knb s THR 55 Cb -0.10 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.78 2knb s THR 55 CO 0.42 -0.08 1.73 0.58 -0.54 0.00 0.00 174.62 176.73 2knb h VAL 56 N 1.35 0.82 0.00 2.29 2.07 -0.94 -0.18 116.25 121.66 2knb h VAL 56 Ca -0.43 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2knb h VAL 56 Cb 1.26 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2knb h VAL 56 CO 0.63 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.27 2knb n GLN 57 N -5.07 0.71 -0.42 1.57 10.64 -0.31 -2.58 117.38 121.93 2knb n GLN 57 Ca 0.02 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.28 2knb n GLN 57 Cb 0.17 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.30 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 -1.02 3.79 0.00 2.61 3.02 -0.09 -5.00 115.26 118.58 2knb n ASN 58 Ca 0.17 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 2knb n ASN 58 Cb 0.09 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.00 0.50 -4.65 0.00 8.00 -1.26 -4.93 116.55 114.21 2knb n ASP 60 Ca 0.00 -0.16 -0.49 0.00 0.71 0.00 0.00 54.79 54.85 2knb n ASP 60 Cb 0.00 0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 2knb n ASP 60 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2knb n LEU 61 N -1.60 2.70 0.00 0.64 4.77 -1.26 -4.98 117.00 117.28 2knb n LEU 61 Ca 0.05 1.07 -0.19 0.00 -0.03 0.00 0.00 56.01 56.91 2knb n LEU 61 Cb 0.35 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.04 2knb n LEU 61 CO 0.35 -0.47 -0.10 -1.84 -1.33 0.00 0.00 177.39 174.00 2knb n GLU 62 N 3.91 0.43 -1.69 3.23 0.28 -1.26 -4.73 120.64 120.80 2knb n GLU 62 Ca 0.19 -3.13 -0.43 0.00 -0.16 0.00 0.00 57.16 53.63 2knb n GLU 62 Cb 0.25 2.38 -0.03 0.00 1.43 0.00 0.00 31.44 35.46 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 -0.65 2.64 -2.61 3.44 -0.06 -1.26 -2.98 117.38 115.90 2knb n GLN 63 Ca 0.05 0.96 -0.09 0.00 -2.00 0.00 0.00 57.00 55.92 2knb n GLN 63 Cb 0.56 -2.83 0.04 0.00 -4.06 0.00 0.00 30.24 23.96 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 5.22 -2.43 -4.63 3.69 6.02 -0.36 -5.01 117.38 119.89 2knb n GLN 64 Ca 0.18 0.46 -0.33 0.00 -0.01 0.00 0.00 57.00 57.30 2knb n GLN 64 Cb 0.35 -4.08 -0.13 0.00 1.02 0.00 0.00 30.24 27.40 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 -3.48 4.40 -0.08 1.08 0.01 -1.16 -4.94 113.70 109.53 2knb s SER 65 Ca 0.12 -0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.01 2knb s SER 65 Cb -0.02 -1.54 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 2knb s SER 65 CO 0.40 0.21 0.48 -0.51 0.41 0.00 0.00 173.24 174.22 2knb s ILE 66 N 0.08 5.11 0.07 1.44 2.07 -1.26 -1.07 121.20 127.64 2knb s ILE 66 Ca -0.03 0.96 0.08 0.00 -1.41 0.00 0.00 60.65 60.25 2knb s ILE 66 Cb -0.14 -3.81 -0.03 0.00 0.13 0.00 0.00 42.46 38.61 2knb s ILE 66 CO 0.04 0.40 -0.22 0.68 -1.91 0.00 0.00 174.94 173.92 2knb s VAL 67 N 0.13 1.83 -0.38 4.00 -7.23 0.14 -4.78 120.40 114.10 2knb s VAL 67 Ca 0.26 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 58.96 2knb s VAL 67 Cb -0.16 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.23 2knb s VAL 67 CO 0.12 0.16 0.20 -2.28 -0.31 0.00 0.00 175.10 172.99 2knb s HIS 68 N -0.92 3.28 -0.42 2.82 2.46 -0.05 -1.09 115.29 121.38 2knb s HIS 68 Ca 0.09 -1.30 -0.10 0.00 0.47 0.00 0.00 55.06 54.22 2knb s HIS 68 Cb -0.09 -2.60 0.07 0.00 -0.13 0.00 0.00 32.58 29.83 2knb s HIS 68 CO 0.03 -0.75 0.27 0.42 -2.47 0.00 0.00 174.74 172.24 2knb s ILE 69 N 1.47 4.35 0.29 0.89 1.01 -0.48 -0.31 121.20 128.42 2knb s ILE 69 Ca 0.01 -1.33 0.09 0.00 0.00 0.00 0.00 60.65 59.43 2knb s ILE 69 Cb -0.21 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2knb s ILE 69 CO 0.04 -0.49 -0.12 0.68 0.00 0.00 0.00 174.94 175.05 2knb s VAL 70 N 1.45 2.07 -0.11 2.92 -7.23 -0.84 -4.12 120.40 114.54 2knb s VAL 70 Ca 0.03 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.68 2knb s VAL 70 Cb -0.23 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2knb s VAL 70 CO 0.03 -0.34 0.96 -1.58 -0.31 0.00 0.00 175.10 173.86 2knb s GLN 71 N -3.62 4.41 -0.48 4.82 0.74 -1.26 -0.73 119.66 123.53 2knb s GLN 71 Ca 0.30 1.30 0.03 0.00 0.05 0.00 0.00 55.36 57.04 2knb s GLN 71 Cb 0.00 -3.54 0.15 0.00 1.10 0.00 0.00 33.01 30.73 2knb s GLN 71 CO 0.13 -0.29 0.31 0.50 -0.55 0.00 0.00 175.29 175.40 2knb s ARG 72 N 1.94 1.38 0.75 1.67 3.52 0.63 -4.94 118.95 123.89 2knb s ARG 72 Ca 0.46 -2.26 -0.12 0.00 -0.13 0.00 0.00 55.73 53.68 2knb s ARG 72 Cb -0.18 -2.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.99 2knb s ARG 72 CO 0.17 -1.25 1.10 -2.14 -0.81 0.00 0.00 175.30 172.38 2knb s PRO 73 N -0.04 2.35 -0.11 5.12 0.02 -1.26 -4.73 135.00 136.35 2knb s PRO 73 Ca 0.23 1.25 0.01 0.00 0.02 0.00 0.00 61.00 62.51 2knb s PRO 73 Cb -0.13 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 2knb s PRO 73 CO -0.08 -1.58 -0.13 -0.65 -0.33 0.00 0.00 177.00 174.24 2knb s GLN 74 N -4.66 3.13 -0.94 5.54 -1.52 -1.26 -5.06 119.66 114.89 2knb s GLN 74 Ca 0.63 -0.67 -0.08 0.00 -1.95 0.00 0.00 55.36 53.29 2knb s GLN 74 Cb -0.18 -2.58 0.24 0.00 -0.22 0.00 0.00 33.01 30.27 2knb s GLN 74 CO 0.52 0.35 0.87 1.03 -0.25 0.00 0.00 175.29 177.82 2knb s ARG 75 N -0.01 3.65 0.00 2.91 0.52 -1.26 -5.22 118.95 119.54 2knb s ARG 75 Ca -0.03 -2.98 0.00 0.00 -0.52 0.00 0.00 55.73 52.20 2knb s ARG 75 Cb -0.14 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.04 2knb s ARG 75 CO 0.04 -1.25 0.29 1.63 0.02 0.00 0.00 175.30 176.02