#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 5.27 0.04 2.02 -1.09 -1.26 0.62 121.20 126.80 2knb s ILE 2 Ca 0.00 0.63 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 2knb s ILE 2 Cb 0.00 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2knb s ILE 2 CO 0.00 0.35 -0.18 0.68 -1.23 0.00 0.00 174.94 174.56 2knb s VAL 3 N 0.67 1.46 -0.34 2.92 -7.23 -0.34 -0.06 120.40 117.48 2knb s VAL 3 Ca 0.18 -1.08 -0.14 0.00 -1.81 0.00 0.00 61.98 59.13 2knb s VAL 3 Cb -0.14 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 2knb s VAL 3 CO 0.06 0.17 0.32 -0.36 -0.31 0.00 0.00 175.10 174.97 2knb s PHE 4 N -0.77 3.22 -0.22 2.82 0.40 0.51 -0.09 117.98 123.85 2knb s PHE 4 Ca 0.06 -0.07 -0.13 0.00 -0.60 0.00 0.00 56.93 56.18 2knb s PHE 4 Cb -0.08 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 2knb s PHE 4 CO 0.01 -0.40 0.29 0.08 0.70 0.00 0.00 175.22 175.90 2knb s VAL 5 N 1.92 5.27 -0.24 -0.44 1.01 -0.37 0.08 120.40 127.63 2knb s VAL 5 Ca 0.10 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2knb s VAL 5 Cb -0.17 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2knb s VAL 5 CO 0.11 0.29 -0.04 -0.60 0.00 0.00 0.00 175.10 174.86 2knb s ARG 6 N 1.26 3.07 -0.71 2.72 3.52 -0.25 -1.54 118.95 127.02 2knb s ARG 6 Ca 0.13 -0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 54.87 2knb s ARG 6 Cb -0.14 -3.03 0.18 0.00 -1.56 0.00 0.00 34.95 30.40 2knb s ARG 6 CO 0.07 -0.33 0.55 0.12 -0.81 0.00 0.00 175.30 174.90 2knb s PHE 7 N 1.40 3.54 -1.38 5.12 5.36 -1.26 -0.59 117.98 130.18 2knb s PHE 7 Ca 0.03 -2.78 0.00 0.00 -0.96 0.00 0.00 56.93 53.22 2knb s PHE 7 Cb -0.16 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 2knb s PHE 7 CO -0.04 -0.81 0.00 -1.71 -1.46 0.00 0.00 175.22 171.20 2knb n ASN 8 N 3.16 -3.77 -4.80 6.13 4.05 -1.26 -4.94 115.26 113.83 2knb n ASN 8 Ca 0.12 0.29 -0.29 0.00 0.45 0.00 0.00 54.58 55.15 2knb n ASN 8 Cb 0.38 -3.41 -0.05 0.00 1.23 0.00 0.00 39.78 37.93 2knb n ASN 8 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2knb s SER 9 N -2.12 4.36 0.01 1.20 0.01 -1.26 -5.06 113.70 110.83 2knb s SER 9 Ca 0.00 -1.39 -0.19 0.00 1.31 0.00 0.00 55.95 55.69 2knb s SER 9 Cb 0.00 0.25 -0.29 0.00 0.21 0.00 0.00 66.02 66.19 2knb s SER 9 CO 0.00 -0.87 1.02 0.77 0.41 0.00 0.00 173.24 174.57 2knb h SER 10 N 1.17 0.66 -4.80 2.44 4.64 -2.00 -3.47 113.55 112.18 2knb h SER 10 Ca -0.41 -0.86 -0.17 0.00 -0.47 0.00 0.00 61.79 59.88 2knb h SER 10 Cb 1.30 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2knb h SER 10 CO 0.68 1.46 -0.02 0.00 -0.87 0.00 0.00 176.83 178.08 2knb n TYR 11 N -4.00 -2.81 -3.79 4.77 4.11 -1.26 -5.09 117.16 109.09 2knb n TYR 11 Ca -0.13 -0.72 -0.13 0.00 -0.00 0.00 0.00 57.90 56.92 2knb n TYR 11 Cb 0.87 -0.20 -0.12 0.00 -0.00 0.00 0.00 39.34 39.90 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 -2.95 -0.18 0.03 -7.48 0.00 -1.26 -4.49 107.32 90.98 2knb s GLY 12 Ca 0.21 0.69 -0.22 0.00 0.00 0.00 0.00 44.72 45.40 2knb s GLY 12 CO 0.13 0.60 0.66 -0.11 0.00 0.00 0.00 173.10 174.38 2knb s PHE 13 N 0.13 3.72 -0.08 1.90 -0.71 -0.59 -4.65 117.98 117.70 2knb s PHE 13 Ca -0.00 1.32 -0.30 0.00 -1.04 0.00 0.00 56.93 56.91 2knb s PHE 13 Cb -0.02 -2.68 -0.03 0.00 -1.21 0.00 0.00 43.02 39.09 2knb s PHE 13 CO 0.00 0.35 1.19 -1.25 -1.34 0.00 0.00 175.22 174.17 2knb s PRO 14 N -0.27 4.34 -0.10 1.99 0.04 -1.26 -1.24 135.00 138.50 2knb s PRO 14 Ca 0.34 1.63 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2knb s PRO 14 Cb -0.19 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 2knb s PRO 14 CO 0.20 -0.48 -0.21 0.08 0.04 0.00 0.00 177.00 176.63 2knb s VAL 15 N 2.41 2.36 -0.51 -0.36 1.01 0.87 -4.92 120.40 121.27 2knb s VAL 15 Ca 0.55 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 2knb s VAL 15 Cb -0.23 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2knb s VAL 15 CO 0.20 0.55 0.94 -0.70 0.00 0.00 0.00 175.10 176.09 2knb s GLU 16 N 0.24 3.44 0.42 2.72 2.56 -1.26 -1.20 118.70 125.61 2knb s GLU 16 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.97 54.80 2knb s GLU 16 Cb -0.17 -3.99 0.00 0.00 2.00 0.00 0.00 34.13 31.98 2knb s GLU 16 CO 0.07 -1.36 0.01 1.33 -0.56 0.00 0.00 175.26 174.75 2knb n VAL 17 N 6.33 0.00 -4.44 3.70 0.24 0.20 -4.90 118.33 119.46 2knb n VAL 17 Ca 0.04 -1.99 -0.22 0.00 -2.04 0.00 0.00 64.34 60.14 2knb n VAL 17 Cb 0.48 0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 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 -3.33 2.65 0.50 -1.34 -4.77 -1.26 0.15 116.67 109.26 2knb s ASP 18 Ca 0.01 -1.26 0.15 0.00 -3.30 0.00 0.00 52.55 48.14 2knb s ASP 18 Cb -0.00 -0.15 1.19 0.00 -1.09 0.00 0.00 42.92 42.88 2knb s ASP 18 CO 0.01 -0.45 2.11 0.28 0.70 0.00 0.00 175.17 177.82 2knb h SER 19 N 2.20 0.10 -0.30 2.11 0.02 -1.96 -1.04 113.55 114.69 2knb h SER 19 Ca -0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2knb h SER 19 Cb 1.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2knb h SER 19 CO 0.69 0.07 0.00 -0.67 -1.14 0.00 0.00 176.83 175.78 2knb n ASP 20 N -4.51 2.15 -4.70 3.07 -0.08 -1.26 -1.12 116.55 110.09 2knb n ASP 20 Ca -0.00 -1.86 -0.42 0.00 -1.51 0.00 0.00 54.79 50.99 2knb n ASP 20 Cb 0.14 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.38 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2knb s THR 21 N -1.61 3.80 0.37 5.18 2.01 -0.39 -4.84 115.64 120.16 2knb s THR 21 Ca 0.32 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.40 2knb s THR 21 Cb 0.17 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2knb s THR 21 CO 0.24 0.06 0.82 -0.44 -0.69 0.00 0.00 174.62 174.61 2knb s SER 22 N 1.33 6.79 0.23 3.53 0.01 -1.26 -1.95 113.70 122.38 2knb s SER 22 Ca 0.61 1.41 -0.06 0.00 1.31 0.00 0.00 55.95 59.21 2knb s SER 22 Cb -0.31 -2.43 0.33 0.00 0.21 0.00 0.00 66.02 63.82 2knb s SER 22 CO 0.28 -0.29 1.82 0.40 0.41 0.00 0.00 173.24 175.85 2knb h ILE 23 N 1.80 0.96 -0.94 1.44 1.08 -1.01 -1.47 117.51 119.38 2knb h ILE 23 Ca -0.48 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 63.82 2knb h ILE 23 Cb 1.18 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 2knb h ILE 23 CO 0.64 0.15 0.60 0.15 -0.69 0.00 0.00 178.15 178.99 2knb h PHE 24 N 0.80 1.03 -0.41 1.37 3.57 -1.77 -1.52 116.94 120.01 2knb h PHE 24 Ca 0.36 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 2knb h PHE 24 Cb 0.26 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2knb h PHE 24 CO -0.06 0.46 0.13 1.96 -2.23 0.00 0.00 178.31 178.56 2knb h GLN 25 N 0.94 0.63 -0.08 1.11 4.20 -1.59 -1.67 115.11 118.65 2knb h GLN 25 Ca 0.44 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2knb h GLN 25 Cb 0.43 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2knb h GLN 25 CO -0.20 0.62 0.04 1.25 -0.67 0.00 0.00 178.83 179.87 2knb h LEU 26 N 0.51 0.10 -0.32 1.46 5.85 -1.02 -1.78 115.31 120.11 2knb h LEU 26 Ca 0.13 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 2knb h LEU 26 Cb 0.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2knb h LEU 26 CO -0.00 0.09 -0.38 0.11 -0.34 0.00 0.00 178.44 177.91 2knb h LYS 27 N 0.11 0.82 -0.66 1.25 1.57 -0.65 -3.00 116.57 116.01 2knb h LYS 27 Ca 0.03 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 58.46 2knb h LYS 27 Cb 0.02 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2knb h LYS 27 CO -0.00 1.09 0.44 0.93 -0.57 0.00 0.00 179.45 181.33 2knb h GLU 28 N 0.59 0.47 -0.87 3.15 5.08 -0.43 0.25 114.58 122.82 2knb h GLU 28 Ca 0.04 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2knb h GLU 28 Cb 0.97 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 2knb h GLU 28 CO 0.09 0.31 0.53 0.28 -1.00 0.00 0.00 179.01 179.22 2knb h VAL 29 N 0.48 0.99 0.14 3.13 2.07 -1.34 -0.04 116.25 121.68 2knb h VAL 29 Ca 0.31 -0.32 -0.28 0.00 0.82 0.00 0.00 66.70 67.23 2knb h VAL 29 Cb 0.55 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2knb h VAL 29 CO -0.09 0.17 -1.27 0.58 0.02 0.00 0.00 177.57 176.98 2knb h VAL 30 N 0.92 1.45 -0.24 2.57 2.07 -1.25 -3.00 116.25 118.78 2knb h VAL 30 Ca 0.40 -2.95 0.04 0.00 0.82 0.00 0.00 66.70 65.00 2knb h VAL 30 Cb 0.27 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 2knb h VAL 30 CO -0.21 0.87 0.03 0.00 0.02 0.00 0.00 177.57 178.28 2knb h ALA 31 N 0.51 0.23 0.00 1.67 0.00 -0.18 0.13 119.26 121.62 2knb h ALA 31 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2knb h ALA 31 Cb 1.98 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2knb h ALA 31 CO 0.22 -0.39 0.00 1.57 0.00 0.00 0.00 179.25 180.64 2knb h LYS 32 N 0.11 0.00 0.14 0.00 5.09 -1.14 0.18 116.57 120.95 2knb h LYS 32 Ca 0.11 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.56 2knb h LYS 32 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.46 2knb h LYS 32 CO -0.16 0.00 -1.43 -0.09 -2.09 0.00 0.00 179.45 175.67 2knb h ARG 33 N 0.00 0.29 -0.01 0.07 2.43 -1.22 -3.37 114.38 112.58 2knb h ARG 33 Ca 0.00 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2knb h ARG 33 Cb 0.74 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2knb h ARG 33 CO 0.00 1.24 -0.64 1.04 -1.51 0.00 0.00 179.97 180.10 2knb n GLN 34 N -3.86 0.90 -3.00 0.20 1.13 0.39 -4.98 117.38 108.15 2knb n GLN 34 Ca -0.24 -0.64 -0.12 0.00 -1.94 0.00 0.00 57.00 54.06 2knb n GLN 34 Cb 0.94 -1.46 0.06 0.00 0.11 0.00 0.00 30.24 29.89 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 1.42 -0.08 3.17 1.08 0.00 0.52 -5.04 105.19 106.26 2knb n GLY 35 Ca 0.07 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.23 1.59 -0.01 1.61 1.01 -0.48 -5.03 120.40 115.85 2knb s VAL 36 Ca 0.08 -0.81 -0.36 0.00 0.00 0.00 0.00 61.98 60.89 2knb s VAL 36 Cb -0.03 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.85 2knb s VAL 36 CO 0.48 0.45 1.65 -2.65 0.00 0.00 0.00 175.10 175.04 2knb n PRO 37 N 3.08 1.78 0.31 2.72 -0.02 -1.26 -4.35 135.00 137.28 2knb n PRO 37 Ca -0.18 0.65 0.20 0.00 -2.02 0.00 0.00 63.50 62.15 2knb n PRO 37 Cb 0.53 -2.40 1.02 0.00 -0.02 0.00 0.00 33.50 32.63 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 6.86 1.03 0.00 3.55 0.00 -1.92 -0.81 119.26 127.97 2knb h ALA 38 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2knb h ALA 38 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2knb h ALA 38 CO 0.90 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.90 2knb n ASP 39 N -3.13 0.60 -0.45 0.00 9.92 -1.26 -2.57 116.55 119.66 2knb n ASP 39 Ca -0.02 0.62 0.05 0.00 -0.53 0.00 0.00 54.79 54.91 2knb n ASP 39 Cb 0.16 -0.76 0.06 0.00 -0.64 0.00 0.00 41.12 39.93 2knb n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2knb n GLN 40 N -2.13 0.73 -3.50 -1.24 6.02 -0.32 -4.98 117.38 111.96 2knb n GLN 40 Ca 0.03 -1.23 -0.38 0.00 -0.01 0.00 0.00 57.00 55.42 2knb n GLN 40 Cb 0.28 -1.21 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.91 4.38 0.11 1.08 1.43 -1.06 0.02 118.68 123.74 2knb s LEU 41 Ca 0.14 0.79 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 2knb s LEU 41 Cb 0.09 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2knb s LEU 41 CO 0.14 0.22 -0.26 -0.13 0.23 0.00 0.00 176.35 176.55 2knb s ARG 42 N -0.39 1.39 -0.18 1.70 1.81 0.70 -4.88 118.95 119.11 2knb s ARG 42 Ca 0.22 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 2knb s ARG 42 Cb -0.15 -1.80 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 2knb s ARG 42 CO 0.10 0.43 -0.18 0.08 -0.68 0.00 0.00 175.30 175.05 2knb s VAL 43 N -1.04 2.32 -0.15 3.52 1.01 -1.26 -1.70 120.40 123.09 2knb s VAL 43 Ca 0.12 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2knb s VAL 43 Cb -0.10 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2knb s VAL 43 CO 0.05 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 2knb s ILE 44 N 1.18 2.43 -0.07 2.22 1.01 0.62 -0.51 121.20 128.08 2knb s ILE 44 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2knb s ILE 44 Cb -0.14 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.35 2knb s ILE 44 CO -0.08 0.53 -0.04 0.12 0.00 0.00 0.00 174.94 175.46 2knb s PHE 45 N 0.77 0.96 -1.69 3.97 5.36 0.49 -0.93 117.98 126.91 2knb s PHE 45 Ca -0.07 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 55.54 2knb s PHE 45 Cb -0.16 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 2knb s PHE 45 CO 0.00 -0.32 0.17 0.00 -1.46 0.00 0.00 175.22 173.62 2knb n ALA 46 N 4.58 -0.73 -1.43 11.12 0.00 -1.26 -0.97 120.51 131.82 2knb n ALA 46 Ca -0.16 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 2knb n ALA 46 Cb 0.50 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 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 2.96 0.00 0.00 -1.26 -5.03 105.19 101.30 2knb n GLY 47 Ca -0.21 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.97 1.44 -0.03 1.61 1.02 -0.14 -5.11 119.74 115.55 2knb s LYS 48 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 2knb s LYS 48 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2knb s LYS 48 CO 0.00 -0.08 1.34 -1.21 -0.92 0.00 0.00 175.35 174.48 2knb s GLU 49 N 1.03 4.29 -0.05 1.68 2.02 -1.26 -0.38 118.70 126.04 2knb s GLU 49 Ca -0.08 1.86 -0.24 0.00 0.02 0.00 0.00 54.97 56.52 2knb s GLU 49 Cb -0.15 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 2knb s GLU 49 CO -0.00 -0.56 0.73 -0.51 0.02 0.00 0.00 175.26 174.94 2knb s LEU 50 N 2.52 4.34 0.12 1.80 1.43 0.34 -4.96 118.68 124.27 2knb s LEU 50 Ca 0.61 1.26 -0.31 0.00 -1.03 0.00 0.00 54.13 54.66 2knb s LEU 50 Cb -0.28 -3.14 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 2knb s LEU 50 CO 0.24 -0.11 1.40 -1.10 0.23 0.00 0.00 176.35 177.01 2knb s GLN 51 N 0.70 4.31 0.59 1.70 -0.21 -1.26 -4.64 119.66 120.85 2knb s GLN 51 Ca 0.39 2.10 0.29 0.00 0.02 0.00 0.00 55.36 58.15 2knb s GLN 51 Cb -0.18 -3.24 1.57 0.00 1.00 0.00 0.00 33.01 32.16 2knb s GLN 51 CO 0.20 -0.44 2.01 -0.91 -2.12 0.00 0.00 175.29 174.02 2knb h ASN 52 N 6.75 0.00 -0.26 5.90 -0.26 -1.95 0.54 115.58 126.29 2knb h ASN 52 Ca -0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 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 0.86 0.00 0.00 1.41 -1.06 0.00 0.00 177.43 178.64 2knb n HIS 53 N -3.77 0.34 -2.99 1.19 8.25 -1.26 -2.64 115.22 114.34 2knb n HIS 53 Ca 0.04 -0.17 -0.23 0.00 -0.26 0.00 0.00 57.72 57.10 2knb n HIS 53 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.59 2knb n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2knb s LEU 54 N -1.40 3.66 0.38 2.41 1.43 0.18 -4.92 118.68 120.43 2knb s LEU 54 Ca 0.32 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 2knb s LEU 54 Cb 0.17 -3.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.15 2knb s LEU 54 CO 0.25 -0.68 0.03 0.42 0.23 0.00 0.00 176.35 176.59 2knb s THR 55 N -2.55 1.62 0.13 5.49 -4.23 -1.26 -0.68 115.64 114.16 2knb s THR 55 Ca 0.48 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 2knb s THR 55 Cb -0.10 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 2knb s THR 55 CO 0.38 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.82 2knb h VAL 56 N 1.88 1.04 0.00 2.29 2.07 -1.20 -1.61 116.25 120.72 2knb h VAL 56 Ca -0.43 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2knb h VAL 56 Cb 1.25 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2knb h VAL 56 CO 0.76 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.40 2knb n GLN 57 N -4.95 0.83 -0.15 1.57 10.64 -0.28 -2.52 117.38 122.53 2knb n GLN 57 Ca -0.02 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.19 2knb n GLN 57 Cb 0.04 -1.26 0.12 0.00 -0.86 0.00 0.00 30.24 28.28 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 -0.76 2.73 -0.02 2.61 2.85 -0.62 -5.03 115.26 117.02 2knb n ASN 58 Ca 0.10 -2.21 0.00 0.00 -0.11 0.00 0.00 54.58 52.36 2knb n ASN 58 Cb 0.05 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 40.85 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 -0.06 3.77 -4.68 0.00 8.00 -1.26 -4.93 116.55 117.39 2knb n ASP 60 Ca 0.00 -3.22 -0.38 0.00 0.71 0.00 0.00 54.79 51.90 2knb n ASP 60 Cb 0.00 -0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 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 -2.59 4.18 0.00 0.64 1.43 -1.26 -5.05 118.68 116.03 2knb s LEU 61 Ca 0.45 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2knb s LEU 61 Cb 0.38 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 2knb s LEU 61 CO 0.09 -0.10 0.04 -1.84 0.23 0.00 0.00 176.35 174.78 2knb n GLU 62 N 4.39 0.94 -1.96 1.70 0.28 -1.26 -4.75 120.64 119.97 2knb n GLU 62 Ca -0.07 -1.06 -0.42 0.00 -0.16 0.00 0.00 57.16 55.46 2knb n GLU 62 Cb 0.51 0.53 -0.03 0.00 1.43 0.00 0.00 31.44 33.89 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 -2.48 4.23 -1.00 3.44 2.00 -1.26 -2.89 119.66 121.70 2knb s GLN 63 Ca 0.05 2.35 -0.03 0.00 -2.00 0.00 0.00 55.36 55.73 2knb s GLN 63 Cb 0.00 -3.13 0.00 0.00 0.80 0.00 0.00 33.01 30.68 2knb s GLN 63 CO 0.04 -0.54 0.45 1.04 -0.50 0.00 0.00 175.29 175.77 2knb n GLN 64 N 3.34 -3.47 -3.59 1.67 6.02 0.91 -4.98 117.38 117.28 2knb n GLN 64 Ca 0.11 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 2knb n GLN 64 Cb 0.39 -4.79 -0.07 0.00 1.02 0.00 0.00 30.24 26.80 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 -2.86 6.54 -0.06 1.08 0.01 -1.14 -4.84 113.70 112.43 2knb s SER 65 Ca 0.22 0.64 -0.10 0.00 1.31 0.00 0.00 55.95 58.02 2knb s SER 65 Cb -0.10 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2knb s SER 65 CO 0.27 0.22 0.26 -0.51 0.41 0.00 0.00 173.24 173.90 2knb s ILE 66 N -0.26 5.30 0.08 1.44 2.07 -1.26 -0.36 121.20 128.21 2knb s ILE 66 Ca 0.18 0.47 0.06 0.00 -1.41 0.00 0.00 60.65 59.96 2knb s ILE 66 Cb -0.14 -3.54 -0.03 0.00 0.13 0.00 0.00 42.46 38.88 2knb s ILE 66 CO 0.07 0.59 -0.16 0.68 -1.91 0.00 0.00 174.94 174.20 2knb s VAL 67 N -1.07 1.31 -0.37 4.00 -7.23 0.11 -4.80 120.40 112.35 2knb s VAL 67 Ca 0.19 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2knb s VAL 67 Cb -0.14 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.60 2knb s VAL 67 CO 0.09 -0.17 0.21 -2.28 -0.31 0.00 0.00 175.10 172.63 2knb s HIS 68 N -1.24 3.24 -0.34 2.82 2.46 -0.10 -1.08 115.29 121.04 2knb s HIS 68 Ca 0.01 -0.90 -0.05 0.00 0.47 0.00 0.00 55.06 54.59 2knb s HIS 68 Cb -0.10 -2.44 0.05 0.00 -0.13 0.00 0.00 32.58 29.96 2knb s HIS 68 CO 0.03 -0.62 0.10 0.42 -2.47 0.00 0.00 174.74 172.20 2knb s ILE 69 N 1.57 3.54 0.26 0.89 1.01 0.24 -0.28 121.20 128.43 2knb s ILE 69 Ca 0.02 -1.34 0.07 0.00 0.00 0.00 0.00 60.65 59.40 2knb s ILE 69 Cb -0.19 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 2knb s ILE 69 CO 0.07 -0.25 -0.08 0.68 0.00 0.00 0.00 174.94 175.36 2knb s VAL 70 N 1.33 1.64 -0.36 2.92 -7.23 -0.69 -3.99 120.40 114.01 2knb s VAL 70 Ca -0.01 -2.14 -0.23 0.00 -1.81 0.00 0.00 61.98 57.79 2knb s VAL 70 Cb -0.20 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2knb s VAL 70 CO 0.01 -0.37 0.78 -1.58 -0.31 0.00 0.00 175.10 173.62 2knb s GLN 71 N -3.71 3.75 -0.31 4.82 0.74 -1.26 -0.22 119.66 123.47 2knb s GLN 71 Ca 0.28 0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.90 2knb s GLN 71 Cb 0.03 -3.81 0.01 0.00 1.10 0.00 0.00 33.01 30.34 2knb s GLN 71 CO 0.10 -0.84 0.12 0.50 -0.55 0.00 0.00 175.29 174.62 2knb s ARG 72 N 3.08 3.11 0.50 1.67 3.00 0.10 -4.95 118.95 125.46 2knb s ARG 72 Ca 0.31 -0.86 -0.13 0.00 -1.00 0.00 0.00 55.73 54.05 2knb s ARG 72 Cb -0.13 -3.48 -0.07 0.00 0.00 0.00 0.00 34.95 31.27 2knb s ARG 72 CO 0.17 -0.48 0.92 -1.25 0.00 0.00 0.00 175.30 174.66 2knb s PRO 73 N 1.54 3.83 -0.22 5.12 0.04 -1.26 -4.67 135.00 139.37 2knb s PRO 73 Ca 0.03 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 2knb s PRO 73 Cb -0.17 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 2knb s PRO 73 CO 0.04 -0.25 -0.05 -1.14 0.04 0.00 0.00 177.00 175.64 2knb s GLN 74 N -4.22 3.28 -0.49 4.56 2.00 -1.26 -5.07 119.66 118.45 2knb s GLN 74 Ca 0.56 -0.69 -0.07 0.00 -2.00 0.00 0.00 55.36 53.16 2knb s GLN 74 Cb -0.10 -2.98 0.13 0.00 0.80 0.00 0.00 33.01 30.85 2knb s GLN 74 CO 0.36 -0.23 0.34 0.50 -0.50 0.00 0.00 175.29 175.75 2knb s ARG 75 N 1.45 2.41 0.00 1.67 3.52 -1.26 -5.25 118.95 121.48 2knb s ARG 75 Ca 0.05 -1.90 0.00 0.00 -0.13 0.00 0.00 55.73 53.75 2knb s ARG 75 Cb -0.14 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2knb s ARG 75 CO -0.04 -1.17 0.00 1.17 -0.81 0.00 0.00 175.30 174.45