#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 5.31 -0.01 2.02 -1.09 -1.26 -0.54 121.20 125.63 2knb s ILE 2 Ca 0.00 0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.94 2knb s ILE 2 Cb 0.00 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2knb s ILE 2 CO 0.00 0.36 -0.20 0.68 -1.23 0.00 0.00 174.94 174.55 2knb s VAL 3 N 0.76 1.56 -0.39 2.92 -7.23 -0.41 -1.11 120.40 116.50 2knb s VAL 3 Ca 0.14 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 2knb s VAL 3 Cb -0.13 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.51 2knb s VAL 3 CO 0.04 0.41 0.53 -0.36 -0.31 0.00 0.00 175.10 175.41 2knb s PHE 4 N -0.50 3.15 -0.21 2.82 0.08 0.72 -0.18 117.98 123.85 2knb s PHE 4 Ca 0.08 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.98 2knb s PHE 4 Cb -0.08 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 2knb s PHE 4 CO -0.00 -0.65 0.34 0.08 -0.10 0.00 0.00 175.22 174.88 2knb s VAL 5 N 2.44 5.24 -0.16 -0.44 1.01 -0.18 -0.65 120.40 127.66 2knb s VAL 5 Ca 0.18 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 2knb s VAL 5 Cb -0.15 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2knb s VAL 5 CO 0.15 0.27 -0.15 -0.60 0.00 0.00 0.00 175.10 174.77 2knb s ARG 6 N 1.25 3.22 -0.55 2.72 3.52 -0.41 -0.75 118.95 127.95 2knb s ARG 6 Ca 0.16 -0.74 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 2knb s ARG 6 Cb -0.14 -2.65 0.14 0.00 -1.56 0.00 0.00 34.95 30.74 2knb s ARG 6 CO 0.07 -0.00 0.31 0.12 -0.81 0.00 0.00 175.30 174.99 2knb s PHE 7 N 0.87 3.28 -1.23 5.12 5.36 -1.26 0.42 117.98 130.55 2knb s PHE 7 Ca -0.04 -3.02 0.00 0.00 -0.96 0.00 0.00 56.93 52.91 2knb s PHE 7 Cb -0.15 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 2knb s PHE 7 CO -0.01 -0.78 0.00 -1.71 -1.46 0.00 0.00 175.22 171.26 2knb n ASN 8 N 3.27 -4.35 -2.12 6.13 5.15 -1.26 -4.92 115.26 117.16 2knb n ASN 8 Ca 0.06 0.15 -0.03 0.00 -0.60 0.00 0.00 54.58 54.16 2knb n ASN 8 Cb 0.34 -3.68 -0.01 0.00 -0.53 0.00 0.00 39.78 35.90 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 -1.83 1.82 -0.07 1.20 2.88 -1.26 -5.09 113.62 111.27 2knb n SER 9 Ca -0.17 -1.22 -0.22 0.00 -1.33 0.00 0.00 58.87 55.93 2knb n SER 9 Cb 0.63 0.05 -0.12 0.00 -0.75 0.00 0.00 64.21 64.02 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2knb n SER 10 N -1.30 1.94 -1.63 -3.46 3.41 -1.26 -4.99 113.62 106.32 2knb n SER 10 Ca -0.02 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 2knb n SER 10 Cb 0.06 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 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 -4.15 -2.45 -3.85 7.33 4.11 -1.26 -5.09 117.16 111.79 2knb n TYR 11 Ca -0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.45 2knb n TYR 11 Cb 0.79 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 40.01 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 -1.82 -0.03 0.01 -7.48 0.00 -1.26 -4.43 107.32 92.32 2knb s GLY 12 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.64 2knb s GLY 12 CO 0.00 0.07 0.63 -1.36 0.00 0.00 0.00 173.10 172.44 2knb s PHE 13 N -0.37 3.69 -0.04 1.90 0.08 0.07 -4.64 117.98 118.67 2knb s PHE 13 Ca -0.04 1.26 -0.30 0.00 0.12 0.00 0.00 56.93 57.96 2knb s PHE 13 Cb -0.03 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2knb s PHE 13 CO 0.00 0.33 1.37 -2.14 -0.10 0.00 0.00 175.22 174.68 2knb s PRO 14 N -0.16 4.28 -0.06 0.24 0.02 -1.26 -1.01 135.00 137.05 2knb s PRO 14 Ca 0.33 1.88 0.05 0.00 0.02 0.00 0.00 61.00 63.28 2knb s PRO 14 Cb -0.19 -3.64 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2knb s PRO 14 CO 0.18 -0.60 -0.22 0.08 -0.33 0.00 0.00 177.00 176.11 2knb s VAL 15 N 2.71 2.33 -0.35 3.83 1.01 0.74 -4.92 120.40 125.75 2knb s VAL 15 Ca 0.62 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2knb s VAL 15 Cb -0.29 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2knb s VAL 15 CO 0.24 0.57 0.64 -0.70 0.00 0.00 0.00 175.10 175.85 2knb s GLU 16 N -0.27 3.70 0.35 2.72 2.56 -1.26 -1.29 118.70 125.21 2knb s GLU 16 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.97 55.09 2knb s GLU 16 Cb -0.13 -3.80 -0.04 0.00 2.00 0.00 0.00 34.13 32.16 2knb s GLU 16 CO 0.03 -0.72 0.13 0.14 -0.56 0.00 0.00 175.26 174.27 2knb s VAL 17 N 2.70 0.61 0.42 3.70 -7.23 0.30 -4.94 120.40 115.97 2knb s VAL 17 Ca 0.24 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2knb s VAL 17 Cb -0.14 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2knb s VAL 17 CO 0.14 0.00 0.03 1.51 -0.31 0.00 0.00 175.10 176.47 2knb s ASP 18 N -3.50 3.54 0.44 4.85 -4.77 -1.26 0.15 116.67 116.12 2knb s ASP 18 Ca 0.31 -1.48 0.17 0.00 -3.30 0.00 0.00 52.55 48.25 2knb s ASP 18 Cb 0.05 0.01 1.02 0.00 -1.09 0.00 0.00 42.92 42.90 2knb s ASP 18 CO 0.16 -0.64 1.96 0.28 0.70 0.00 0.00 175.17 177.62 2knb h SER 19 N 1.72 0.00 0.69 2.11 0.02 -1.97 -2.06 113.55 114.06 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 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2knb h SER 19 CO 0.74 0.23 -0.11 -0.67 -1.14 0.00 0.00 176.83 175.88 2knb n ASP 20 N -4.07 0.19 -4.75 3.07 2.03 -1.26 -2.38 116.55 109.37 2knb n ASP 20 Ca -0.02 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.88 2knb n ASP 20 Cb 0.30 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 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 -2.79 2.20 0.14 5.18 2.01 -0.78 -4.80 115.64 116.80 2knb s THR 21 Ca 0.20 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2knb s THR 21 Cb 0.19 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2knb s THR 21 CO 0.53 0.03 0.31 -0.44 -0.69 0.00 0.00 174.62 174.36 2knb s SER 22 N 0.34 6.38 0.25 3.53 0.01 -1.26 -1.51 113.70 121.43 2knb s SER 22 Ca 0.60 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 58.14 2knb s SER 22 Cb -0.46 -1.97 0.41 0.00 0.21 0.00 0.00 66.02 64.21 2knb s SER 22 CO 0.49 0.05 1.80 0.40 0.41 0.00 0.00 173.24 176.39 2knb h ILE 23 N 1.77 0.87 -0.61 1.44 1.08 -0.79 -1.75 117.51 119.51 2knb h ILE 23 Ca -0.47 -0.25 0.12 0.00 -0.39 0.00 0.00 64.86 63.87 2knb h ILE 23 Cb 1.18 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.91 2knb h ILE 23 CO 0.71 0.13 0.12 0.15 -0.69 0.00 0.00 178.15 178.57 2knb h PHE 24 N 0.73 0.18 -0.20 1.37 3.57 -1.48 -0.29 116.94 120.82 2knb h PHE 24 Ca 0.40 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 2knb h PHE 24 Cb 0.42 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2knb h PHE 24 CO -0.07 -0.05 0.04 1.96 -2.23 0.00 0.00 178.31 177.96 2knb h GLN 25 N 0.25 0.33 -0.43 1.11 4.20 -1.63 -1.98 115.11 116.96 2knb h GLN 25 Ca 0.32 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 59.01 2knb h GLN 25 Cb 0.50 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2knb h GLN 25 CO -0.42 0.47 0.29 1.25 -0.67 0.00 0.00 178.83 179.75 2knb h LEU 26 N 0.14 0.28 -0.33 1.46 5.85 -0.88 -1.47 115.31 120.36 2knb h LEU 26 Ca 0.06 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 2knb h LEU 26 Cb 0.29 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2knb h LEU 26 CO 0.00 0.18 -0.44 0.11 -0.34 0.00 0.00 178.44 177.95 2knb h LYS 27 N 0.32 0.88 -0.23 1.25 1.57 -0.68 -2.94 116.57 116.74 2knb h LYS 27 Ca 0.19 -0.51 0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2knb h LYS 27 Cb 0.34 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2knb h LYS 27 CO -0.04 1.15 0.16 0.93 -0.57 0.00 0.00 179.45 181.08 2knb h GLU 28 N 0.67 0.09 -0.95 3.15 5.08 -0.53 0.63 114.58 122.73 2knb h GLU 28 Ca 0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2knb h GLU 28 Cb 1.04 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2knb h GLU 28 CO 0.10 0.06 0.62 0.28 -1.00 0.00 0.00 179.01 179.08 2knb h VAL 29 N 0.10 1.17 0.16 3.13 2.07 -1.29 -0.14 116.25 121.44 2knb h VAL 29 Ca 0.10 -0.42 -0.29 0.00 0.82 0.00 0.00 66.70 66.92 2knb h VAL 29 Cb 0.30 -0.15 0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2knb h VAL 29 CO -0.01 0.22 -1.29 0.58 0.02 0.00 0.00 177.57 177.09 2knb h VAL 30 N 1.21 1.45 0.04 2.57 2.07 -1.25 -3.11 116.25 119.23 2knb h VAL 30 Ca 0.37 -2.96 0.02 0.00 0.82 0.00 0.00 66.70 64.95 2knb h VAL 30 Cb -0.02 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 2knb h VAL 30 CO -0.12 0.87 -0.18 0.00 0.02 0.00 0.00 177.57 178.16 2knb h ALA 31 N 0.48 -0.25 0.00 1.67 0.00 -0.30 0.03 119.26 120.89 2knb h ALA 31 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2knb h ALA 31 Cb 2.01 0.31 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2knb h ALA 31 CO 0.22 -0.69 0.00 0.36 0.00 0.00 0.00 179.25 179.15 2knb n LYS 32 N -5.31 0.20 -0.04 0.00 2.85 -0.12 -0.46 118.16 115.28 2knb n LYS 32 Ca -0.06 0.34 -0.19 0.00 -1.05 0.00 0.00 58.31 57.35 2knb n LYS 32 Cb 0.23 -1.83 -0.13 0.00 -0.65 0.00 0.00 35.03 32.65 2knb n LYS 32 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2knb h ARG 33 N 0.00 0.12 0.00 -1.58 2.43 -1.23 -3.39 114.38 110.74 2knb h ARG 33 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2knb h ARG 33 Cb 0.48 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2knb h ARG 33 CO 0.00 1.10 -1.45 1.04 -1.51 0.00 0.00 179.97 179.15 2knb n GLN 34 N -4.26 0.55 -1.44 0.20 1.13 -0.10 -5.00 117.38 108.46 2knb n GLN 34 Ca -0.22 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 2knb n GLN 34 Cb 0.72 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 1.26 0.62 2.92 1.08 0.00 0.40 -5.09 105.19 106.37 2knb n GLY 35 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.66 0.48 0.20 1.61 1.01 -0.69 -5.05 120.40 115.30 2knb s VAL 36 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 61.98 61.50 2knb s VAL 36 Cb 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 36.38 35.77 2knb s VAL 36 CO 0.00 0.18 1.48 -2.65 0.00 0.00 0.00 175.10 174.11 2knb n PRO 37 N 3.62 2.06 0.28 2.72 -0.02 -1.26 -4.36 135.00 138.04 2knb n PRO 37 Ca -0.21 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2knb n PRO 37 Cb 0.53 -2.44 0.83 0.00 -0.02 0.00 0.00 33.50 32.40 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 4.94 1.69 0.00 3.55 0.00 -1.93 -0.84 119.26 126.67 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 0.81 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 2knb n ASP 39 N -4.05 0.53 -0.95 0.00 5.75 -1.26 -2.23 116.55 114.34 2knb n ASP 39 Ca -0.03 0.62 0.11 0.00 -0.01 0.00 0.00 54.79 55.48 2knb n ASP 39 Cb 0.10 -0.74 0.13 0.00 -1.03 0.00 0.00 41.12 39.59 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 -2.07 2.18 -3.99 0.11 6.02 -0.32 -4.94 117.38 114.36 2knb n GLN 40 Ca 0.03 -1.96 -0.35 0.00 -0.01 0.00 0.00 57.00 54.71 2knb n GLN 40 Cb 0.25 -1.44 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.65 4.19 0.10 1.08 1.43 -0.95 -0.19 118.68 122.70 2knb s LEU 41 Ca 0.30 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2knb s LEU 41 Cb 0.19 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2knb s LEU 41 CO 0.28 0.34 -0.16 -0.13 0.23 0.00 0.00 176.35 176.91 2knb s ARG 42 N -1.40 1.00 -0.21 1.70 1.81 -0.04 -4.88 118.95 116.93 2knb s ARG 42 Ca 0.20 -1.14 0.01 0.00 -1.72 0.00 0.00 55.73 53.08 2knb s ARG 42 Cb -0.12 -1.03 0.03 0.00 -0.45 0.00 0.00 34.95 33.38 2knb s ARG 42 CO 0.10 0.22 -0.16 0.08 -0.68 0.00 0.00 175.30 174.86 2knb s VAL 43 N -1.63 2.19 -0.24 3.52 1.01 -1.26 -1.92 120.40 122.07 2knb s VAL 43 Ca 0.05 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2knb s VAL 43 Cb -0.08 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2knb s VAL 43 CO 0.03 0.34 0.01 -0.63 0.00 0.00 0.00 175.10 174.86 2knb s ILE 44 N 1.24 3.70 -0.15 2.22 1.01 0.68 -0.58 121.20 129.33 2knb s ILE 44 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2knb s ILE 44 Cb -0.15 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2knb s ILE 44 CO -0.10 0.32 -0.14 0.12 0.00 0.00 0.00 174.94 175.15 2knb s PHE 45 N 1.51 2.15 -1.50 3.97 5.36 0.82 -1.28 117.98 129.02 2knb s PHE 45 Ca 0.05 -1.22 -0.04 0.00 -0.96 0.00 0.00 56.93 54.76 2knb s PHE 45 Cb -0.15 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 2knb s PHE 45 CO -0.00 -0.67 0.41 0.00 -1.46 0.00 0.00 175.22 173.50 2knb n ALA 46 N 4.78 -0.91 -1.03 11.12 0.00 -1.26 -0.78 120.51 132.43 2knb n ALA 46 Ca -0.17 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2knb n ALA 46 Cb 0.50 -3.13 -0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 -1.29 0.48 2.97 0.00 0.00 -1.26 -5.03 105.19 101.06 2knb n GLY 47 Ca -0.12 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.59 1.84 -0.21 1.61 1.02 0.04 -5.10 119.74 117.35 2knb s LYS 48 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 2knb s LYS 48 Cb 0.00 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2knb s LYS 48 CO 0.00 -0.19 1.05 -1.21 -0.92 0.00 0.00 175.35 174.08 2knb s GLU 49 N 1.42 4.28 0.07 1.68 2.02 -1.26 -0.13 118.70 126.78 2knb s GLU 49 Ca 0.01 1.38 -0.27 0.00 0.02 0.00 0.00 54.97 56.11 2knb s GLU 49 Cb -0.13 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.41 2knb s GLU 49 CO -0.06 -0.60 0.85 -0.51 0.02 0.00 0.00 175.26 174.96 2knb s LEU 50 N 3.08 4.47 0.37 1.80 1.43 0.26 -4.98 118.68 125.10 2knb s LEU 50 Ca 0.45 1.59 -0.26 0.00 -1.03 0.00 0.00 54.13 54.88 2knb s LEU 50 Cb -0.16 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 2knb s LEU 50 CO 0.08 -0.02 1.16 -1.58 0.23 0.00 0.00 176.35 176.21 2knb s GLN 51 N -0.01 4.21 0.33 1.70 0.74 -1.26 -4.48 119.66 120.89 2knb s GLN 51 Ca 0.42 1.84 0.12 0.00 0.05 0.00 0.00 55.36 57.79 2knb s GLN 51 Cb -0.22 -2.81 0.96 0.00 1.10 0.00 0.00 33.01 32.05 2knb s GLN 51 CO 0.26 -0.18 1.71 -0.97 -0.55 0.00 0.00 175.29 175.56 2knb h ASN 52 N 2.93 0.61 -0.16 6.67 -1.24 -1.95 0.65 115.58 123.10 2knb h ASN 52 Ca -0.48 0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2knb h ASN 52 Cb 1.23 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2knb h ASN 52 CO 0.64 0.04 0.00 1.57 -1.29 0.00 0.00 177.43 178.39 2knb n HIS 53 N -4.90 0.20 -2.92 0.67 -0.00 -1.26 -1.36 115.22 105.65 2knb n HIS 53 Ca 0.28 -0.10 -0.35 0.00 0.46 0.00 0.00 57.72 58.01 2knb n HIS 53 Cb 0.83 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.63 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 -1.44 4.19 0.20 0.27 1.43 0.22 -4.87 118.68 118.68 2knb s LEU 54 Ca 0.28 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.06 2knb s LEU 54 Cb 0.15 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 2knb s LEU 54 CO 0.22 -0.14 0.13 0.42 0.23 0.00 0.00 176.35 177.21 2knb s THR 55 N -1.80 4.34 0.16 5.49 -4.23 -1.26 -0.43 115.64 117.91 2knb s THR 55 Ca 0.52 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 2knb s THR 55 Cb -0.14 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 70.50 2knb s THR 55 CO 0.19 -0.19 1.70 0.58 -0.54 0.00 0.00 174.62 176.36 2knb h VAL 56 N 1.92 0.73 0.00 2.29 2.07 -1.30 -0.33 116.25 121.63 2knb h VAL 56 Ca -0.48 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2knb h VAL 56 Cb 1.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2knb h VAL 56 CO 0.62 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.23 2knb n GLN 57 N -5.18 0.03 0.00 1.57 10.64 -1.00 -1.65 117.38 121.79 2knb n GLN 57 Ca 0.02 0.28 0.08 0.00 -1.83 0.00 0.00 57.00 55.55 2knb n GLN 57 Cb 0.19 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.04 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 -1.46 1.42 -4.79 2.61 2.85 -0.20 -4.99 115.26 110.69 2knb n ASN 58 Ca 0.03 -1.21 -0.28 0.00 -0.11 0.00 0.00 54.58 53.01 2knb n ASN 58 Cb 0.13 0.62 -0.02 0.00 1.24 0.00 0.00 39.78 41.75 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 -1.67 2.86 -4.67 0.00 8.00 -1.26 -4.84 116.55 114.97 2knb n ASP 60 Ca -0.08 -2.17 -0.39 0.00 0.71 0.00 0.00 54.79 52.86 2knb n ASP 60 Cb 0.63 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.36 4.16 0.00 0.64 1.43 -1.26 -5.05 118.68 118.23 2knb s LEU 61 Ca 0.06 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2knb s LEU 61 Cb 0.05 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2knb s LEU 61 CO 0.01 -0.13 0.09 -1.84 0.23 0.00 0.00 176.35 174.72 2knb n GLU 62 N 4.61 0.71 -1.68 1.70 0.28 -1.26 -4.78 120.64 120.22 2knb n GLU 62 Ca -0.06 -3.08 -0.43 0.00 -0.16 0.00 0.00 57.16 53.43 2knb n GLU 62 Cb 0.51 1.44 -0.03 0.00 1.43 0.00 0.00 31.44 34.78 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 -0.89 2.80 -2.26 3.44 -0.06 -1.26 -3.27 117.38 115.88 2knb n GLN 63 Ca -0.09 1.02 -0.03 0.00 -2.00 0.00 0.00 57.00 55.91 2knb n GLN 63 Cb 0.54 -2.94 0.01 0.00 -4.06 0.00 0.00 30.24 23.79 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 6.56 -0.78 -4.91 3.69 6.02 -0.26 -5.00 117.38 122.70 2knb n GLN 64 Ca 0.19 0.74 -0.32 0.00 -0.01 0.00 0.00 57.00 57.61 2knb n GLN 64 Cb 0.38 -3.49 -0.13 0.00 1.02 0.00 0.00 30.24 28.02 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 -2.74 3.80 -0.18 1.08 0.01 -1.20 -4.96 113.70 109.50 2knb s SER 65 Ca 0.08 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2knb s SER 65 Cb -0.01 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 2knb s SER 65 CO 0.35 0.32 0.10 -0.51 0.41 0.00 0.00 173.24 173.90 2knb s ILE 66 N -0.76 5.12 0.10 1.44 2.07 -1.26 -0.20 121.20 127.70 2knb s ILE 66 Ca 0.12 0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.51 2knb s ILE 66 Cb -0.10 -3.30 -0.03 0.00 0.13 0.00 0.00 42.46 39.15 2knb s ILE 66 CO 0.01 0.48 -0.17 0.68 -1.91 0.00 0.00 174.94 174.03 2knb s VAL 67 N 0.15 1.43 -0.33 4.00 -7.23 0.17 -4.73 120.40 113.86 2knb s VAL 67 Ca 0.07 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2knb s VAL 67 Cb -0.12 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.49 2knb s VAL 67 CO -0.00 -0.19 0.10 -2.28 -0.31 0.00 0.00 175.10 172.42 2knb s HIS 68 N -1.38 3.24 -0.46 2.82 2.46 -0.40 -1.28 115.29 120.28 2knb s HIS 68 Ca 0.04 -1.38 -0.10 0.00 0.47 0.00 0.00 55.06 54.09 2knb s HIS 68 Cb -0.09 -2.27 0.11 0.00 -0.13 0.00 0.00 32.58 30.20 2knb s HIS 68 CO 0.03 -0.71 0.33 0.42 -2.47 0.00 0.00 174.74 172.34 2knb s ILE 69 N 1.41 4.30 0.29 0.89 1.01 0.17 -0.23 121.20 129.04 2knb s ILE 69 Ca -0.01 -1.64 0.11 0.00 0.00 0.00 0.00 60.65 59.11 2knb s ILE 69 Cb -0.19 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2knb s ILE 69 CO 0.03 -0.70 -0.16 0.68 0.00 0.00 0.00 174.94 174.79 2knb s VAL 70 N 1.40 2.55 -0.09 2.92 -7.23 -0.81 -4.04 120.40 115.10 2knb s VAL 70 Ca 0.05 -2.31 -0.27 0.00 -1.81 0.00 0.00 61.98 57.63 2knb s VAL 70 Cb -0.25 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2knb s VAL 70 CO 0.01 -0.36 0.88 -1.58 -0.31 0.00 0.00 175.10 173.74 2knb s GLN 71 N -3.55 4.43 -0.30 4.82 0.74 -1.26 -0.86 119.66 123.68 2knb s GLN 71 Ca 0.31 1.18 -0.06 0.00 0.05 0.00 0.00 55.36 56.84 2knb s GLN 71 Cb -0.04 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.59 2knb s GLN 71 CO 0.16 -0.16 0.06 0.50 -0.55 0.00 0.00 175.29 175.30 2knb s ARG 72 N 1.51 2.86 0.13 1.67 3.52 0.73 -4.95 118.95 124.42 2knb s ARG 72 Ca 0.44 -1.00 -0.31 0.00 -0.13 0.00 0.00 55.73 54.72 2knb s ARG 72 Cb -0.18 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 2knb s ARG 72 CO 0.19 -0.52 1.54 -1.25 -0.81 0.00 0.00 175.30 174.45 2knb s PRO 73 N 1.43 4.24 -0.39 5.12 0.04 -1.26 -4.79 135.00 139.39 2knb s PRO 73 Ca 0.00 2.27 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 2knb s PRO 73 Cb -0.18 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.11 2knb s PRO 73 CO 0.01 -0.59 0.25 -1.14 0.04 0.00 0.00 177.00 175.57 2knb s GLN 74 N 1.45 2.93 -1.00 4.56 0.74 -1.26 -5.01 119.66 122.07 2knb s GLN 74 Ca 0.69 -1.03 -0.23 0.00 0.05 0.00 0.00 55.36 54.84 2knb s GLN 74 Cb -0.41 -3.85 0.02 0.00 1.10 0.00 0.00 33.01 29.87 2knb s GLN 74 CO 0.31 -0.71 1.62 0.50 -0.55 0.00 0.00 175.29 176.46 2knb s ARG 75 N 1.62 3.27 0.00 1.67 3.52 -1.26 -5.23 118.95 122.54 2knb s ARG 75 Ca 0.04 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 2knb s ARG 75 Cb -0.19 -5.28 0.00 0.00 -1.56 0.00 0.00 34.95 27.92 2knb s ARG 75 CO 0.08 -2.60 0.00 1.63 -0.81 0.00 0.00 175.30 173.60