#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 5.11 0.03 2.02 -1.09 -1.26 -0.00 121.20 126.01 2knb s ILE 2 Ca 0.00 0.91 0.09 0.00 -2.23 0.00 0.00 60.65 59.41 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 0.16 -0.25 0.68 -1.23 0.00 0.00 174.94 174.30 2knb s VAL 3 N 1.78 2.02 -0.35 2.92 -7.23 -0.18 -2.00 120.40 117.35 2knb s VAL 3 Ca 0.23 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.96 2knb s VAL 3 Cb -0.15 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2knb s VAL 3 CO 0.09 0.37 0.29 -0.36 -0.31 0.00 0.00 175.10 175.18 2knb s PHE 4 N -0.76 3.22 -0.22 2.82 0.40 -0.33 -0.22 117.98 122.89 2knb s PHE 4 Ca 0.11 -0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2knb s PHE 4 Cb -0.10 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2knb s PHE 4 CO 0.01 -0.43 0.35 0.08 0.70 0.00 0.00 175.22 175.94 2knb s VAL 5 N 1.82 5.22 -0.27 -0.44 1.01 0.24 0.23 120.40 128.21 2knb s VAL 5 Ca 0.08 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2knb s VAL 5 Cb -0.17 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2knb s VAL 5 CO 0.11 0.25 0.03 -0.60 0.00 0.00 0.00 175.10 174.89 2knb s ARG 6 N 1.40 3.04 -0.76 2.72 3.52 -0.22 -1.41 118.95 127.24 2knb s ARG 6 Ca 0.16 -0.87 -0.07 0.00 -0.13 0.00 0.00 55.73 54.82 2knb s ARG 6 Cb -0.15 -3.22 0.20 0.00 -1.56 0.00 0.00 34.95 30.22 2knb s ARG 6 CO 0.08 -0.41 0.63 0.12 -0.81 0.00 0.00 175.30 174.91 2knb s PHE 7 N 1.44 3.63 -0.84 5.12 5.36 -1.25 -1.33 117.98 130.11 2knb s PHE 7 Ca 0.02 -2.47 0.00 0.00 -0.96 0.00 0.00 56.93 53.52 2knb s PHE 7 Cb -0.17 -3.47 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 2knb s PHE 7 CO -0.00 -0.89 0.00 -1.71 -1.46 0.00 0.00 175.22 171.16 2knb n ASN 8 N 3.51 -3.25 -3.24 6.13 5.15 -1.26 -4.92 115.26 117.38 2knb n ASN 8 Ca 0.12 0.26 -0.16 0.00 -0.60 0.00 0.00 54.58 54.21 2knb n ASN 8 Cb 0.41 -2.81 -0.03 0.00 -0.53 0.00 0.00 39.78 36.82 2knb n ASN 8 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2knb n SER 9 N -1.67 2.50 -0.06 1.20 7.64 -1.26 -5.08 113.62 116.88 2knb n SER 9 Ca -0.11 -2.09 -0.11 0.00 1.01 0.00 0.00 58.87 57.56 2knb n SER 9 Cb 0.58 0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.89 2knb n SER 9 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2knb h SER 10 N 0.62 -0.00 -2.19 6.43 4.64 -1.99 -3.48 113.55 117.57 2knb h SER 10 Ca -0.20 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.33 2knb h SER 10 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2knb h SER 10 CO 0.33 0.88 0.00 0.00 -0.87 0.00 0.00 176.83 177.17 2knb n TYR 11 N -4.65 -0.41 -3.85 4.77 4.11 -1.26 -5.09 117.16 110.77 2knb n TYR 11 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.73 2knb n TYR 11 Cb 0.38 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 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 -1.04 0.14 -0.01 -7.48 0.00 -1.26 -4.48 107.32 93.20 2knb s GLY 12 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2knb s GLY 12 CO 0.00 -0.74 0.02 -0.11 0.00 0.00 0.00 173.10 172.27 2knb s PHE 13 N -3.88 3.14 -0.06 1.90 -0.12 -0.50 -4.76 117.98 113.69 2knb s PHE 13 Ca 0.08 0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.79 2knb s PHE 13 Cb 0.04 -1.69 -0.02 0.00 -0.63 0.00 0.00 43.02 40.71 2knb s PHE 13 CO -0.08 0.49 0.97 -1.25 -0.05 0.00 0.00 175.22 175.30 2knb s PRO 14 N -1.57 4.47 -0.04 1.99 0.04 -1.26 -0.60 135.00 138.04 2knb s PRO 14 Ca 0.20 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.65 2knb s PRO 14 Cb -0.12 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 2knb s PRO 14 CO 0.11 -0.19 -0.22 0.08 0.04 0.00 0.00 177.00 176.82 2knb s VAL 15 N 1.54 1.80 -0.37 -0.36 1.01 0.70 -4.91 120.40 119.80 2knb s VAL 15 Ca 0.49 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2knb s VAL 15 Cb -0.19 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2knb s VAL 15 CO 0.22 0.51 0.57 -0.70 0.00 0.00 0.00 175.10 175.70 2knb s GLU 16 N -0.20 3.55 0.46 2.72 2.56 -1.26 -1.01 118.70 125.52 2knb s GLU 16 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.97 54.84 2knb s GLU 16 Cb -0.12 -3.84 -0.01 0.00 2.00 0.00 0.00 34.13 32.16 2knb s GLU 16 CO 0.02 -0.75 0.09 0.14 -0.56 0.00 0.00 175.26 174.20 2knb s VAL 17 N 2.56 0.74 0.40 3.70 -7.23 1.00 -4.87 120.40 116.71 2knb s VAL 17 Ca 0.21 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2knb s VAL 17 Cb -0.15 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2knb s VAL 17 CO 0.15 0.00 0.07 1.51 -0.31 0.00 0.00 175.10 176.52 2knb s ASP 18 N -3.73 3.00 0.45 4.85 -4.77 -1.26 0.50 116.67 115.72 2knb s ASP 18 Ca 0.15 -1.55 0.12 0.00 -3.30 0.00 0.00 52.55 47.96 2knb s ASP 18 Cb 0.01 0.25 1.01 0.00 -1.09 0.00 0.00 42.92 43.11 2knb s ASP 18 CO 0.10 -0.78 2.05 0.28 0.70 0.00 0.00 175.17 177.52 2knb h SER 19 N 1.80 0.18 0.37 2.11 0.02 -1.98 -1.74 113.55 114.32 2knb h SER 19 Ca -0.39 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2knb h SER 19 Cb 1.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2knb h SER 19 CO 0.66 0.20 -0.16 0.47 -1.14 0.00 0.00 176.83 176.86 2knb n ASP 20 N -4.44 0.59 -4.73 3.07 8.00 -1.26 -1.27 116.55 116.52 2knb n ASP 20 Ca -0.01 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.49 2knb n ASP 20 Cb 0.14 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2knb n ASP 20 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2knb s THR 21 N -2.54 2.43 0.25 -3.53 2.01 -0.65 -4.75 115.64 108.85 2knb s THR 21 Ca 0.26 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 2knb s THR 21 Cb 0.20 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 2knb s THR 21 CO 0.50 0.03 0.53 -0.44 -0.69 0.00 0.00 174.62 174.56 2knb s SER 22 N 0.95 6.52 0.21 3.53 0.01 -1.26 -0.82 113.70 122.84 2knb s SER 22 Ca 0.69 0.79 -0.09 0.00 1.31 0.00 0.00 55.95 58.64 2knb s SER 22 Cb -0.45 -2.17 0.22 0.00 0.21 0.00 0.00 66.02 63.83 2knb s SER 22 CO 0.35 -0.12 1.83 0.40 0.41 0.00 0.00 173.24 176.11 2knb h ILE 23 N 1.70 1.03 -0.97 1.44 1.08 -0.76 -1.70 117.51 119.33 2knb h ILE 23 Ca -0.47 -0.27 0.09 0.00 -0.39 0.00 0.00 64.86 63.83 2knb h ILE 23 Cb 1.18 0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 2knb h ILE 23 CO 0.68 0.14 0.62 0.15 -0.69 0.00 0.00 178.15 179.06 2knb h PHE 24 N 0.78 1.12 -0.44 1.37 3.57 -1.24 -1.77 116.94 120.32 2knb h PHE 24 Ca 0.29 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2knb h PHE 24 Cb 0.11 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2knb h PHE 24 CO -0.06 0.51 0.06 1.96 -2.23 0.00 0.00 178.31 178.55 2knb h GLN 25 N 1.03 0.73 0.00 1.11 4.20 -1.60 -2.05 115.11 118.54 2knb h GLN 25 Ca 0.45 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2knb h GLN 25 Cb 0.35 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2knb h GLN 25 CO -0.21 0.77 -0.05 1.25 -0.67 0.00 0.00 178.83 179.92 2knb h LEU 26 N 0.59 0.00 -0.38 1.46 5.85 -0.81 -1.70 115.31 120.31 2knb h LEU 26 Ca 0.13 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 2knb h LEU 26 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2knb h LEU 26 CO 0.01 0.05 -0.58 0.11 -0.34 0.00 0.00 178.44 177.69 2knb h LYS 27 N 0.00 0.72 -0.57 1.25 1.57 -0.77 -2.98 116.57 115.78 2knb h LYS 27 Ca -0.00 -0.47 0.10 0.00 -1.87 0.00 0.00 60.65 58.41 2knb h LYS 27 Cb 0.08 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2knb h LYS 27 CO 0.01 1.09 0.38 0.93 -0.57 0.00 0.00 179.45 181.29 2knb h GLU 28 N 0.54 0.34 -0.72 3.15 5.08 -0.64 0.25 114.58 122.60 2knb h GLU 28 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2knb h GLU 28 Cb 1.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2knb h GLU 28 CO 0.12 0.23 0.33 0.28 -1.00 0.00 0.00 179.01 178.96 2knb h VAL 29 N 0.35 1.24 0.06 3.13 2.07 -1.39 -1.38 116.25 120.33 2knb h VAL 29 Ca 0.26 -0.70 -0.25 0.00 0.82 0.00 0.00 66.70 66.83 2knb h VAL 29 Cb 0.56 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2knb h VAL 29 CO -0.07 0.29 -1.08 0.58 0.02 0.00 0.00 177.57 177.31 2knb h VAL 30 N 1.01 1.42 -0.41 2.57 2.07 -1.23 -2.74 116.25 118.94 2knb h VAL 30 Ca 0.24 -2.65 0.05 0.00 0.82 0.00 0.00 66.70 65.17 2knb h VAL 30 Cb 0.15 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2knb h VAL 30 CO -0.03 0.79 0.14 0.00 0.02 0.00 0.00 177.57 178.49 2knb h ALA 31 N 0.63 0.48 0.00 1.67 0.00 -0.22 0.28 119.26 122.10 2knb h ALA 31 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2knb h ALA 31 Cb 1.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2knb h ALA 31 CO 0.19 -0.25 -0.02 1.57 0.00 0.00 0.00 179.25 180.74 2knb h LYS 32 N 0.30 0.00 0.00 0.00 2.10 -1.33 0.16 116.57 117.80 2knb h LYS 32 Ca 0.19 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.64 2knb h LYS 32 Cb 0.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 2knb h LYS 32 CO -0.20 0.00 -1.07 -0.09 -2.00 0.00 0.00 179.45 176.09 2knb h ARG 33 N 0.00 0.00 0.00 0.07 2.43 -1.03 -3.36 114.38 112.49 2knb h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2knb h ARG 33 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2knb h ARG 33 CO 0.00 0.71 -1.29 1.04 -1.51 0.00 0.00 179.97 178.92 2knb n GLN 34 N -3.21 1.07 -2.39 0.20 1.13 0.02 -5.02 117.38 109.18 2knb n GLN 34 Ca -0.04 -0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 54.91 2knb n GLN 34 Cb 0.90 -1.22 0.01 0.00 0.11 0.00 0.00 30.24 30.05 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 1.70 0.44 3.06 1.08 0.00 0.46 -5.07 105.19 106.86 2knb n GLY 35 Ca -0.01 -0.43 -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 -3.06 1.16 0.14 1.61 1.01 -0.55 -5.04 120.40 115.67 2knb s VAL 36 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 61.98 61.12 2knb s VAL 36 Cb -0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 36.38 35.19 2knb s VAL 36 CO 0.12 0.35 1.54 -0.81 0.00 0.00 0.00 175.10 176.30 2knb n PRO 37 N 3.40 1.95 0.31 2.72 -0.04 -1.26 -4.39 135.00 137.69 2knb n PRO 37 Ca -0.20 0.70 0.20 0.00 -0.04 0.00 0.00 63.50 64.17 2knb n PRO 37 Cb 0.53 -2.45 0.95 0.00 -0.04 0.00 0.00 33.50 32.49 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 5.73 1.00 0.00 0.55 0.00 -1.92 -2.12 119.26 122.50 2knb h ALA 38 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2knb h ALA 38 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2knb h ALA 38 CO 0.87 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.72 2knb n ASP 39 N -3.08 0.00 -0.00 0.00 5.75 -1.26 -2.70 116.55 115.26 2knb n ASP 39 Ca -0.01 0.38 0.05 0.00 -0.01 0.00 0.00 54.79 55.20 2knb n ASP 39 Cb 0.19 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 39.76 2knb n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2knb n GLN 40 N -1.45 2.49 -2.66 0.11 6.02 -0.80 -5.00 117.38 116.09 2knb n GLN 40 Ca 0.06 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.62 2knb n GLN 40 Cb 0.22 -1.09 -0.05 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.88 4.62 0.16 1.08 1.43 -1.10 0.54 118.68 122.52 2knb s LEU 41 Ca 0.02 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.25 2knb s LEU 41 Cb 0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2knb s LEU 41 CO 0.46 0.06 -0.18 -0.13 0.23 0.00 0.00 176.35 176.80 2knb s ARG 42 N -1.24 1.24 -0.17 1.70 1.81 0.84 -4.86 118.95 118.27 2knb s ARG 42 Ca 0.42 -1.37 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 2knb s ARG 42 Cb -0.28 -1.30 0.03 0.00 -0.45 0.00 0.00 34.95 32.95 2knb s ARG 42 CO 0.35 0.27 -0.14 0.08 -0.68 0.00 0.00 175.30 175.17 2knb s VAL 43 N -1.99 1.72 -0.13 3.52 1.01 -1.26 -2.08 120.40 121.19 2knb s VAL 43 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2knb s VAL 43 Cb -0.06 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2knb s VAL 43 CO 0.06 0.38 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 2knb s ILE 44 N 1.41 2.86 -0.04 2.22 1.01 0.23 -0.39 121.20 128.50 2knb s ILE 44 Ca 0.03 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 2knb s ILE 44 Cb -0.14 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.17 2knb s ILE 44 CO -0.10 0.53 0.01 0.12 0.00 0.00 0.00 174.94 175.49 2knb s PHE 45 N 0.45 0.31 -1.45 3.97 5.36 0.59 -0.93 117.98 126.27 2knb s PHE 45 Ca -0.11 0.02 -0.07 0.00 -0.96 0.00 0.00 56.93 55.81 2knb s PHE 45 Cb -0.16 -0.46 0.03 0.00 -0.34 0.00 0.00 43.02 42.10 2knb s PHE 45 CO 0.05 -0.16 0.63 0.00 -1.46 0.00 0.00 175.22 174.28 2knb n ALA 46 N 4.42 -1.04 -1.10 11.12 0.00 -1.26 -0.65 120.51 131.99 2knb n ALA 46 Ca -0.21 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 2knb n ALA 46 Cb 0.50 -3.65 -0.02 0.00 0.00 0.00 0.00 19.45 16.28 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 -1.45 0.65 3.03 0.00 0.00 -1.26 -5.01 105.19 101.15 2knb n GLY 47 Ca -0.06 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.81 2.02 -0.07 1.61 1.02 0.18 -5.11 119.74 117.59 2knb s LYS 48 Ca 0.00 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 2knb s LYS 48 Cb 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 2knb s LYS 48 CO 0.00 -0.08 1.21 -1.21 -0.92 0.00 0.00 175.35 174.35 2knb s GLU 49 N 1.03 4.34 -0.14 1.68 0.41 -1.26 -0.30 118.70 124.46 2knb s GLU 49 Ca -0.06 1.67 -0.18 0.00 -0.41 0.00 0.00 54.97 55.98 2knb s GLU 49 Cb -0.15 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.59 2knb s GLU 49 CO -0.02 -0.47 0.49 -0.51 -0.49 0.00 0.00 175.26 174.26 2knb s LEU 50 N 2.34 4.25 0.19 1.80 1.43 0.48 -4.97 118.68 124.20 2knb s LEU 50 Ca 0.56 0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 54.13 2knb s LEU 50 Cb -0.24 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 2knb s LEU 50 CO 0.21 -0.04 1.46 -1.10 0.23 0.00 0.00 176.35 177.11 2knb s GLN 51 N 0.86 4.27 0.51 1.70 -0.21 -1.26 -4.51 119.66 121.02 2knb s GLN 51 Ca 0.26 2.25 0.34 0.00 0.02 0.00 0.00 55.36 58.22 2knb s GLN 51 Cb -0.15 -3.16 1.84 0.00 1.00 0.00 0.00 33.01 32.54 2knb s GLN 51 CO 0.10 -0.47 2.03 -0.91 -2.12 0.00 0.00 175.29 173.93 2knb h ASN 52 N 6.02 0.00 0.18 5.90 -0.26 -1.96 -0.54 115.58 124.93 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 0.84 0.00 -0.15 1.41 -1.06 0.00 0.00 177.43 178.47 2knb n HIS 53 N -2.70 0.00 -2.62 1.19 8.25 -1.26 -0.83 115.22 117.25 2knb n HIS 53 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 2knb n HIS 53 Cb 0.07 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.34 3.64 0.32 2.41 1.43 -0.21 -4.87 118.68 119.06 2knb s LEU 54 Ca 0.30 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.50 2knb s LEU 54 Cb 0.20 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2knb s LEU 54 CO 0.46 -0.56 0.16 0.42 0.23 0.00 0.00 176.35 177.05 2knb s THR 55 N -2.69 3.30 0.18 5.49 -4.23 -1.26 -0.43 115.64 116.00 2knb s THR 55 Ca 0.49 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.24 2knb s THR 55 Cb -0.10 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.78 2knb s THR 55 CO 0.42 -0.22 1.78 0.58 -0.54 0.00 0.00 174.62 176.64 2knb h VAL 56 N 1.52 0.93 0.00 2.29 2.07 -0.81 -0.53 116.25 121.71 2knb h VAL 56 Ca -0.44 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2knb h VAL 56 Cb 1.25 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2knb h VAL 56 CO 0.62 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2knb n GLN 57 N -4.91 0.80 -0.31 1.57 10.64 -0.40 -2.61 117.38 122.17 2knb n GLN 57 Ca 0.05 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.30 2knb n GLN 57 Cb 0.15 -1.50 0.24 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.02 3.53 -2.40 2.61 2.85 -0.22 -4.99 115.26 115.62 2knb n ASN 58 Ca 0.19 -2.12 -0.11 0.00 -0.11 0.00 0.00 54.58 52.44 2knb n ASN 58 Cb 0.10 -0.38 -0.04 0.00 1.24 0.00 0.00 39.78 40.71 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 -1.95 1.91 -4.79 0.00 9.92 -1.26 -4.85 116.55 115.52 2knb n ASP 60 Ca 0.03 -1.73 -0.38 0.00 -0.53 0.00 0.00 54.79 52.17 2knb n ASP 60 Cb 0.40 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 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 0.00 4.45 0.00 0.64 1.43 -1.26 -5.06 118.68 118.88 2knb s LEU 61 Ca 0.00 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2knb s LEU 61 Cb 0.00 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 2knb s LEU 61 CO 0.00 0.21 0.08 -1.84 0.23 0.00 0.00 176.35 175.02 2knb n GLU 62 N 2.29 0.11 -2.10 1.70 0.28 -1.26 -4.79 120.64 116.88 2knb n GLU 62 Ca -0.10 -0.70 -0.41 0.00 -0.16 0.00 0.00 57.16 55.78 2knb n GLU 62 Cb 0.51 0.60 -0.03 0.00 1.43 0.00 0.00 31.44 33.96 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 -2.26 4.32 -0.85 3.44 2.00 -1.26 -2.88 119.66 122.15 2knb s GLN 63 Ca 0.08 2.20 0.00 0.00 -2.00 0.00 0.00 55.36 55.64 2knb s GLN 63 Cb 0.00 -3.15 0.00 0.00 0.80 0.00 0.00 33.01 30.67 2knb s GLN 63 CO 0.06 -0.36 0.00 1.04 -0.50 0.00 0.00 175.29 175.53 2knb n GLN 64 N 2.50 -0.70 -3.19 1.67 3.00 -0.85 -5.01 117.38 114.80 2knb n GLN 64 Ca 0.07 0.58 -0.39 0.00 -0.01 0.00 0.00 57.00 57.25 2knb n GLN 64 Cb 0.41 -4.55 -0.06 0.00 0.00 0.00 0.00 30.24 26.05 2knb n GLN 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2knb s SER 65 N -2.70 7.05 -0.14 1.08 0.01 -1.14 -4.88 113.70 112.98 2knb s SER 65 Ca 0.00 1.25 -0.07 0.00 1.31 0.00 0.00 55.95 58.44 2knb s SER 65 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2knb s SER 65 CO 0.00 0.15 0.10 -0.51 0.41 0.00 0.00 173.24 173.39 2knb s ILE 66 N -0.50 5.17 0.08 1.44 2.07 -1.26 -1.19 121.20 127.01 2knb s ILE 66 Ca 0.31 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.72 2knb s ILE 66 Cb -0.19 -3.28 -0.03 0.00 0.13 0.00 0.00 42.46 39.09 2knb s ILE 66 CO 0.19 0.55 -0.22 0.68 -1.91 0.00 0.00 174.94 174.23 2knb s VAL 67 N -0.46 1.75 -0.44 4.00 -7.23 0.14 -4.80 120.40 113.37 2knb s VAL 67 Ca 0.11 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2knb s VAL 67 Cb -0.12 -1.56 0.07 0.00 0.56 0.00 0.00 36.38 35.34 2knb s VAL 67 CO 0.02 0.08 0.31 -2.28 -0.31 0.00 0.00 175.10 172.91 2knb s HIS 68 N -0.99 3.30 -0.29 2.82 2.46 -0.11 -1.06 115.29 121.41 2knb s HIS 68 Ca 0.08 -1.26 -0.06 0.00 0.47 0.00 0.00 55.06 54.29 2knb s HIS 68 Cb -0.09 -3.00 0.02 0.00 -0.13 0.00 0.00 32.58 29.37 2knb s HIS 68 CO 0.03 -0.81 0.06 0.42 -2.47 0.00 0.00 174.74 171.97 2knb s ILE 69 N 1.52 3.73 0.21 0.89 1.01 -0.44 -0.60 121.20 127.51 2knb s ILE 69 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2knb s ILE 69 Cb -0.23 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 2knb s ILE 69 CO 0.04 0.05 0.02 0.68 0.00 0.00 0.00 174.94 175.73 2knb s VAL 70 N 1.45 0.77 -0.19 2.92 -7.23 -0.88 -3.95 120.40 113.28 2knb s VAL 70 Ca 0.01 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.97 2knb s VAL 70 Cb -0.17 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 2knb s VAL 70 CO 0.01 -0.34 0.67 -1.58 -0.31 0.00 0.00 175.10 173.54 2knb s GLN 71 N -3.92 4.23 -0.31 4.82 -0.44 -1.26 -0.11 119.66 122.66 2knb s GLN 71 Ca 0.28 0.69 -0.12 0.00 -2.50 0.00 0.00 55.36 53.71 2knb s GLN 71 Cb 0.06 -3.58 -0.03 0.00 -1.64 0.00 0.00 33.01 27.82 2knb s GLN 71 CO 0.07 -0.25 0.22 0.50 0.50 0.00 0.00 175.29 176.32 2knb s ARG 72 N 1.95 3.71 0.31 1.67 3.52 0.19 -4.94 118.95 125.36 2knb s ARG 72 Ca 0.30 -0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 2knb s ARG 72 Cb -0.16 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.40 2knb s ARG 72 CO 0.11 -0.32 1.12 -1.25 -0.81 0.00 0.00 175.30 174.15 2knb s PRO 73 N 1.74 4.48 -0.11 5.12 0.04 -1.26 -4.76 135.00 140.26 2knb s PRO 73 Ca 0.06 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2knb s PRO 73 Cb -0.17 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2knb s PRO 73 CO 0.11 0.07 -0.14 -0.65 0.04 0.00 0.00 177.00 176.43 2knb s GLN 74 N -1.72 2.08 -0.64 4.56 -1.52 -1.26 -5.09 119.66 116.06 2knb s GLN 74 Ca 0.48 -0.51 -0.10 0.00 -1.95 0.00 0.00 55.36 53.28 2knb s GLN 74 Cb -0.31 -1.80 0.17 0.00 -0.22 0.00 0.00 33.01 30.84 2knb s GLN 74 CO 0.40 -0.08 0.54 1.03 -0.25 0.00 0.00 175.29 176.92 2knb s ARG 75 N 1.05 2.96 0.00 2.91 0.52 -1.26 -5.23 118.95 119.91 2knb s ARG 75 Ca -0.06 -2.19 0.13 0.00 -0.52 0.00 0.00 55.73 53.09 2knb s ARG 75 Cb -0.15 -4.10 0.10 0.00 0.52 0.00 0.00 34.95 31.32 2knb s ARG 75 CO -0.02 -1.24 0.91 1.63 0.02 0.00 0.00 175.30 176.59