#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 5.40 0.12 1.12 -1.09 -1.26 0.07 121.20 125.56 2knb s ILE 2 Ca 0.00 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.74 2knb s ILE 2 Cb 0.00 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2knb s ILE 2 CO 0.00 0.46 -0.12 0.68 -1.23 0.00 0.00 174.94 174.73 2knb s VAL 3 N 0.16 1.20 -0.25 2.92 -7.23 -0.78 -0.75 120.40 115.67 2knb s VAL 3 Ca 0.11 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 2knb s VAL 3 Cb -0.12 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2knb s VAL 3 CO 0.00 -0.51 0.05 -0.36 -0.31 0.00 0.00 175.10 173.97 2knb s PHE 4 N -2.42 3.07 -0.21 2.82 0.08 0.68 -0.49 117.98 121.51 2knb s PHE 4 Ca 0.09 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 2knb s PHE 4 Cb -0.03 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2knb s PHE 4 CO 0.02 -0.43 0.30 0.08 -0.10 0.00 0.00 175.22 175.10 2knb s VAL 5 N 1.57 5.27 -0.28 -0.44 1.01 -0.13 0.29 120.40 127.68 2knb s VAL 5 Ca 0.06 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 2knb s VAL 5 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2knb s VAL 5 CO 0.02 0.30 0.04 -0.60 0.00 0.00 0.00 175.10 174.86 2knb s ARG 6 N 1.13 2.95 -0.66 2.72 3.52 -0.07 -1.69 118.95 126.85 2knb s ARG 6 Ca 0.15 -0.94 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 2knb s ARG 6 Cb -0.14 -3.25 0.17 0.00 -1.56 0.00 0.00 34.95 30.17 2knb s ARG 6 CO 0.06 -0.46 0.49 0.12 -0.81 0.00 0.00 175.30 174.70 2knb s PHE 7 N 1.43 3.45 -1.66 5.12 5.36 -1.25 -0.67 117.98 129.75 2knb s PHE 7 Ca 0.01 -2.67 0.00 0.00 -0.96 0.00 0.00 56.93 53.32 2knb s PHE 7 Cb -0.17 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2knb s PHE 7 CO 0.00 -0.85 0.00 -1.71 -1.46 0.00 0.00 175.22 171.20 2knb n ASN 8 N 3.46 -4.52 -3.08 6.13 5.15 -1.26 -4.92 115.26 116.22 2knb n ASN 8 Ca 0.09 0.32 -0.13 0.00 -0.60 0.00 0.00 54.58 54.25 2knb n ASN 8 Cb 0.39 -4.00 -0.03 0.00 -0.53 0.00 0.00 39.78 35.61 2knb n ASN 8 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2knb n SER 9 N -1.18 2.51 -0.03 1.20 3.41 -1.26 -5.08 113.62 113.19 2knb n SER 9 Ca -0.17 -1.92 -0.22 0.00 -0.26 0.00 0.00 58.87 56.30 2knb n SER 9 Cb 0.57 0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.55 2knb n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2knb n SER 10 N -1.16 2.04 -2.32 4.04 3.41 -1.26 -4.99 113.62 113.38 2knb n SER 10 Ca -0.08 0.26 -0.02 0.00 -0.26 0.00 0.00 58.87 58.77 2knb n SER 10 Cb 0.27 -0.88 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 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 -3.77 -2.96 -3.94 7.33 4.11 -1.26 -5.07 117.16 111.59 2knb n TYR 11 Ca -0.33 -0.23 -0.09 0.00 -0.00 0.00 0.00 57.90 57.25 2knb n TYR 11 Cb 0.94 -0.06 -0.09 0.00 -0.00 0.00 0.00 39.34 40.13 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 -2.33 0.21 -0.06 -7.48 0.00 -1.26 -4.46 107.32 91.94 2knb s GLY 12 Ca 0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 2knb s GLY 12 CO 0.04 -0.85 -0.00 -0.11 0.00 0.00 0.00 173.10 172.18 2knb s PHE 13 N -3.22 3.13 0.06 1.90 -0.71 -0.68 -4.73 117.98 113.72 2knb s PHE 13 Ca 0.00 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 55.74 2knb s PHE 13 Cb 0.02 -1.76 -0.05 0.00 -1.21 0.00 0.00 43.02 40.02 2knb s PHE 13 CO -0.07 0.46 1.17 -1.25 -1.34 0.00 0.00 175.22 174.19 2knb s PRO 14 N -1.04 4.45 -0.04 1.99 0.04 -1.25 -0.95 135.00 138.20 2knb s PRO 14 Ca 0.15 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2knb s PRO 14 Cb -0.11 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2knb s PRO 14 CO 0.04 -0.22 -0.18 0.08 0.04 0.00 0.00 177.00 176.76 2knb s VAL 15 N 1.00 1.48 -0.48 -0.36 1.01 0.35 -4.92 120.40 118.49 2knb s VAL 15 Ca 0.58 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2knb s VAL 15 Cb -0.29 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 34.86 2knb s VAL 15 CO 0.29 0.42 0.84 -0.70 0.00 0.00 0.00 175.10 175.96 2knb s GLU 16 N -0.07 3.39 0.35 2.72 2.56 -1.26 -1.86 118.70 124.54 2knb s GLU 16 Ca -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 54.97 54.90 2knb s GLU 16 Cb -0.11 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 31.98 2knb s GLU 16 CO 0.02 -1.24 -0.07 0.14 -0.56 0.00 0.00 175.26 173.55 2knb s VAL 17 N 3.50 2.11 0.42 3.70 -7.23 0.11 -4.87 120.40 118.15 2knb s VAL 17 Ca 0.30 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2knb s VAL 17 Cb -0.12 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.05 2knb s VAL 17 CO 0.22 -0.16 0.05 1.51 -0.31 0.00 0.00 175.10 176.41 2knb s ASP 18 N -3.61 4.03 0.39 4.85 -4.77 -1.26 0.36 116.67 116.65 2knb s ASP 18 Ca 0.33 -1.33 0.06 0.00 -3.30 0.00 0.00 52.55 48.31 2knb s ASP 18 Cb 0.04 -0.33 0.77 0.00 -1.09 0.00 0.00 42.92 42.32 2knb s ASP 18 CO 0.16 -0.51 1.99 0.77 0.70 0.00 0.00 175.17 178.29 2knb h SER 19 N 1.65 0.47 1.45 2.11 4.64 -1.98 -1.74 113.55 120.14 2knb h SER 19 Ca -0.44 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2knb h SER 19 Cb 1.25 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2knb h SER 19 CO 0.78 0.41 0.00 -0.67 -0.87 0.00 0.00 176.83 176.48 2knb n ASP 20 N -4.40 0.84 -4.71 4.97 2.03 -1.26 -1.36 116.55 112.65 2knb n ASP 20 Ca 0.02 0.58 -0.43 0.00 0.52 0.00 0.00 54.79 55.49 2knb n ASP 20 Cb 0.13 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 39.69 2knb n ASP 20 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2knb n THR 21 N -2.29 0.24 -4.06 5.18 -1.04 -0.66 -4.72 114.28 106.93 2knb n THR 21 Ca 0.05 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2knb n THR 21 Cb 0.42 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.03 2knb n THR 21 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2knb s SER 22 N 0.95 5.61 0.27 8.00 1.04 -1.26 -0.40 113.70 127.90 2knb s SER 22 Ca 0.73 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 2knb s SER 22 Cb -0.55 -1.42 0.52 0.00 0.10 0.00 0.00 66.02 64.68 2knb s SER 22 CO 0.37 -0.07 1.80 0.40 0.98 0.00 0.00 173.24 176.72 2knb h ILE 23 N 1.42 0.85 -0.53 -1.02 1.08 -1.04 -2.03 117.51 116.24 2knb h ILE 23 Ca -0.49 -0.28 0.10 0.00 -0.39 0.00 0.00 64.86 63.80 2knb h ILE 23 Cb 1.24 -0.05 -0.11 0.00 -3.07 0.00 0.00 36.82 34.83 2knb h ILE 23 CO 0.60 0.15 -0.32 0.15 -0.69 0.00 0.00 178.15 178.05 2knb h PHE 24 N 0.82 -0.87 -0.27 1.37 3.57 -1.46 0.22 116.94 120.33 2knb h PHE 24 Ca 0.47 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 2knb h PHE 24 Cb 0.54 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2knb h PHE 24 CO -0.04 -0.37 0.12 1.96 -2.23 0.00 0.00 178.31 177.75 2knb h GLN 25 N -0.18 0.40 -0.74 1.11 4.20 -1.69 -2.17 115.11 116.05 2knb h GLN 25 Ca 0.22 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.92 2knb h GLN 25 Cb 0.54 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 2knb h GLN 25 CO -0.63 0.41 0.48 1.25 -0.67 0.00 0.00 178.83 179.68 2knb h LEU 26 N 0.30 0.69 -0.43 1.46 5.85 -0.85 -1.51 115.31 120.82 2knb h LEU 26 Ca 0.09 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2knb h LEU 26 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2knb h LEU 26 CO -0.01 0.44 -0.05 0.11 -0.34 0.00 0.00 178.44 178.59 2knb h LYS 27 N 0.78 0.79 0.00 1.25 1.57 -0.26 -2.72 116.57 117.98 2knb h LYS 27 Ca 0.32 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2knb h LYS 27 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2knb h LYS 27 CO -0.11 0.89 -0.00 0.93 -0.57 0.00 0.00 179.45 180.59 2knb h GLU 28 N 0.62 0.00 -0.91 3.15 5.08 -0.66 -0.97 114.58 120.89 2knb h GLU 28 Ca 0.11 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2knb h GLU 28 Cb 0.57 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2knb h GLU 28 CO 0.03 0.00 0.60 0.28 -1.00 0.00 0.00 179.01 178.92 2knb h VAL 29 N 0.00 1.19 0.03 3.13 2.07 -1.05 -2.03 116.25 119.59 2knb h VAL 29 Ca -0.00 -0.41 -0.26 0.00 0.82 0.00 0.00 66.70 66.86 2knb h VAL 29 Cb 0.01 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 2knb h VAL 29 CO 0.00 0.22 -1.33 0.58 0.02 0.00 0.00 177.57 177.06 2knb h VAL 30 N 1.19 1.34 -0.41 2.57 2.07 -1.44 -3.23 116.25 118.34 2knb h VAL 30 Ca 0.35 -3.07 0.05 0.00 0.82 0.00 0.00 66.70 64.85 2knb h VAL 30 Cb -0.07 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2knb h VAL 30 CO -0.09 0.80 0.13 0.00 0.02 0.00 0.00 177.57 178.42 2knb h ALA 31 N 0.88 0.48 -0.00 1.67 0.00 -0.77 -0.63 119.26 120.88 2knb h ALA 31 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2knb h ALA 31 Cb 1.90 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2knb h ALA 31 CO 0.12 -0.27 -0.03 0.36 0.00 0.00 0.00 179.25 179.44 2knb n LYS 32 N -5.03 0.01 0.08 0.00 -0.00 -0.80 -0.86 118.16 111.55 2knb n LYS 32 Ca 0.03 -0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.13 2knb n LYS 32 Cb 0.16 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.54 2knb n LYS 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2knb h ARG 33 N 0.00 0.36 -0.00 -1.58 2.43 -1.18 -3.39 114.38 111.03 2knb h ARG 33 Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2knb h ARG 33 Cb 0.49 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2knb h ARG 33 CO 0.00 1.26 -0.33 1.04 -1.51 0.00 0.00 179.97 180.43 2knb n GLN 34 N -3.56 3.61 -2.46 0.20 1.13 -0.55 -5.01 117.38 110.76 2knb n GLN 34 Ca -0.20 -0.17 -0.04 0.00 -1.94 0.00 0.00 57.00 54.64 2knb n GLN 34 Cb 1.07 -0.94 0.02 0.00 0.11 0.00 0.00 30.24 30.50 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 1.09 0.36 3.19 1.08 0.00 -0.04 -5.06 105.19 105.81 2knb n GLY 35 Ca 0.02 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.08 1.85 0.05 1.61 1.01 -0.75 -5.05 120.40 116.04 2knb s VAL 36 Ca 0.04 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 60.76 2knb s VAL 36 Cb -0.02 -1.60 -0.14 0.00 0.00 0.00 0.00 36.38 34.62 2knb s VAL 36 CO 0.17 0.52 1.66 -2.65 0.00 0.00 0.00 175.10 174.80 2knb n PRO 37 N 3.41 2.01 0.29 2.72 -0.02 -1.26 -4.41 135.00 137.74 2knb n PRO 37 Ca -0.19 0.73 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2knb n PRO 37 Cb 0.53 -2.51 0.87 0.00 -0.02 0.00 0.00 33.50 32.37 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 6.94 1.48 0.00 3.55 0.00 -1.93 -1.74 119.26 127.57 2knb h ALA 38 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 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 0.90 0.04 0.00 0.38 0.00 0.00 0.00 179.25 180.57 2knb h ASP 39 N 0.00 0.00 0.19 0.00 2.03 -1.99 -2.45 116.42 114.20 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 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2knb h ASP 39 CO 0.00 0.00 -1.06 0.00 -1.03 0.00 0.00 179.24 177.16 2knb n GLN 40 N -3.02 0.16 -2.88 4.15 6.02 -0.66 -4.93 117.38 116.22 2knb n GLN 40 Ca 0.01 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 2knb n GLN 40 Cb 0.29 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 -3.43 4.60 0.06 1.08 1.43 -0.92 0.35 118.68 121.85 2knb s LEU 41 Ca 0.05 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.97 2knb s LEU 41 Cb 0.16 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2knb s LEU 41 CO 0.83 0.16 -0.16 -0.13 0.23 0.00 0.00 176.35 177.28 2knb s ARG 42 N -0.99 0.99 -0.16 1.70 1.81 -0.44 -4.91 118.95 116.95 2knb s ARG 42 Ca 0.39 -0.92 -0.01 0.00 -1.72 0.00 0.00 55.73 53.46 2knb s ARG 42 Cb -0.24 -1.06 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 2knb s ARG 42 CO 0.28 0.25 -0.12 0.08 -0.68 0.00 0.00 175.30 175.12 2knb s VAL 43 N -1.04 2.95 -0.12 3.52 1.01 -1.26 -2.48 120.40 122.99 2knb s VAL 43 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2knb s VAL 43 Cb -0.09 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2knb s VAL 43 CO 0.02 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 2knb s ILE 44 N 0.81 1.64 -0.06 2.22 1.01 0.12 0.36 121.20 127.30 2knb s ILE 44 Ca -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2knb s ILE 44 Cb -0.15 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.86 2knb s ILE 44 CO 0.01 0.47 -0.05 0.12 0.00 0.00 0.00 174.94 175.48 2knb s PHE 45 N 0.94 0.97 -1.46 3.97 5.36 -0.04 -0.74 117.98 126.98 2knb s PHE 45 Ca -0.07 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 55.48 2knb s PHE 45 Cb -0.15 -0.85 0.04 0.00 -0.34 0.00 0.00 43.02 41.72 2knb s PHE 45 CO -0.01 -0.28 0.77 0.00 -1.46 0.00 0.00 175.22 174.23 2knb n ALA 46 N 4.34 -1.12 -1.94 11.12 0.00 -1.26 -1.32 120.51 130.33 2knb n ALA 46 Ca -0.19 0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2knb n ALA 46 Cb 0.51 -4.07 -0.01 0.00 0.00 0.00 0.00 19.45 15.88 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 -1.57 0.26 2.78 0.00 0.00 -1.26 -5.03 105.19 100.37 2knb n GLY 47 Ca -0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.99 0.36 -0.12 1.61 1.02 -0.43 -5.12 119.74 113.07 2knb s LYS 48 Ca 0.00 0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 2knb s LYS 48 Cb 0.00 -0.67 -0.02 0.00 -0.52 0.00 0.00 37.83 36.61 2knb s LYS 48 CO 0.00 -0.22 1.28 -1.21 -0.92 0.00 0.00 175.35 174.28 2knb s GLU 49 N 1.55 4.26 -0.28 1.68 2.02 -1.26 -0.86 118.70 125.81 2knb s GLU 49 Ca -0.02 1.72 -0.24 0.00 0.02 0.00 0.00 54.97 56.45 2knb s GLU 49 Cb -0.13 -3.72 -0.00 0.00 0.10 0.00 0.00 34.13 30.38 2knb s GLU 49 CO -0.03 -0.65 0.81 -0.51 0.02 0.00 0.00 175.26 174.90 2knb s LEU 50 N 3.18 4.07 0.38 1.80 1.43 0.16 -4.98 118.68 124.71 2knb s LEU 50 Ca 0.57 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 54.23 2knb s LEU 50 Cb -0.24 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 2knb s LEU 50 CO 0.18 -0.58 1.24 -1.10 0.23 0.00 0.00 176.35 176.32 2knb s GLN 51 N 2.94 4.13 0.53 1.70 -0.21 -1.26 -4.39 119.66 123.09 2knb s GLN 51 Ca 0.34 2.04 0.40 0.00 0.02 0.00 0.00 55.36 58.15 2knb s GLN 51 Cb -0.14 -2.83 1.58 0.00 1.00 0.00 0.00 33.01 32.61 2knb s GLN 51 CO 0.10 -0.32 1.70 -0.97 -2.12 0.00 0.00 175.29 173.69 2knb h ASN 52 N 2.90 0.06 0.18 5.90 -1.24 -1.95 0.80 115.58 122.23 2knb h ASN 52 Ca -0.49 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.54 2knb h ASN 52 Cb 1.24 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2knb h ASN 52 CO 0.63 -0.02 -0.32 1.41 -1.29 0.00 0.00 177.43 177.85 2knb n HIS 53 N -4.18 0.00 -2.34 0.67 8.25 -1.26 -1.27 115.22 115.08 2knb n HIS 53 Ca 0.34 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.39 2knb n HIS 53 Cb 1.52 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 32.50 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 -2.50 4.48 0.23 2.41 1.43 0.27 -4.80 118.68 120.20 2knb s LEU 54 Ca 0.23 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 2knb s LEU 54 Cb 0.19 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2knb s LEU 54 CO 0.54 -0.33 0.30 0.42 0.23 0.00 0.00 176.35 177.51 2knb s THR 55 N -0.69 5.03 0.22 5.49 -4.23 -1.26 -0.87 115.64 119.34 2knb s THR 55 Ca 0.49 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 2knb s THR 55 Cb -0.34 -3.71 0.17 0.00 1.34 0.00 0.00 72.50 69.96 2knb s THR 55 CO 0.42 -0.30 1.76 0.58 -0.54 0.00 0.00 174.62 176.54 2knb h VAL 56 N 1.34 0.79 0.00 2.29 2.07 -0.52 0.27 116.25 122.48 2knb h VAL 56 Ca -0.51 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2knb h VAL 56 Cb 1.23 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2knb h VAL 56 CO 0.62 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.30 2knb n GLN 57 N -4.94 0.27 -0.22 1.57 10.64 -0.47 -2.55 117.38 121.69 2knb n GLN 57 Ca 0.10 0.10 0.06 0.00 -1.83 0.00 0.00 57.00 55.43 2knb n GLN 57 Cb 0.29 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.30 3.04 -3.89 2.61 2.85 0.05 -5.01 115.26 113.61 2knb n ASN 58 Ca 0.09 -2.29 -0.20 0.00 -0.11 0.00 0.00 54.58 52.07 2knb n ASN 58 Cb 0.16 -0.29 -0.09 0.00 1.24 0.00 0.00 39.78 40.80 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 -1.12 3.29 -4.70 0.00 8.00 -1.26 -4.84 116.55 115.92 2knb n ASP 60 Ca 0.01 -2.01 -0.37 0.00 0.71 0.00 0.00 54.79 53.12 2knb n ASP 60 Cb 0.64 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.00 4.21 0.00 0.64 1.43 -1.26 -5.06 118.68 118.64 2knb s LEU 61 Ca 0.00 0.56 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 2knb s LEU 61 Cb 0.00 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2knb s LEU 61 CO 0.00 0.00 0.17 -1.84 0.23 0.00 0.00 176.35 174.91 2knb n GLU 62 N 3.99 0.55 -1.71 1.70 0.28 -1.26 -4.85 120.64 119.35 2knb n GLU 62 Ca -0.09 -3.35 -0.43 0.00 -0.16 0.00 0.00 57.16 53.13 2knb n GLU 62 Cb 0.51 1.98 -0.03 0.00 1.43 0.00 0.00 31.44 35.33 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 -0.85 2.68 -3.05 3.44 -0.06 -1.26 -2.88 117.38 115.40 2knb n GLN 63 Ca -0.03 0.97 -0.13 0.00 -2.00 0.00 0.00 57.00 55.81 2knb n GLN 63 Cb 0.60 -2.82 0.04 0.00 -4.06 0.00 0.00 30.24 24.01 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 4.27 -4.28 -4.05 3.69 1.13 0.07 -5.01 117.38 113.19 2knb n GLN 64 Ca 0.17 0.46 -0.32 0.00 -1.94 0.00 0.00 57.00 55.36 2knb n GLN 64 Cb 0.34 -4.36 -0.06 0.00 0.11 0.00 0.00 30.24 26.27 2knb n GLN 64 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2knb s SER 65 N -3.27 5.79 -0.11 1.08 0.01 -1.14 -4.92 113.70 111.14 2knb s SER 65 Ca 0.27 0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.62 2knb s SER 65 Cb -0.12 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 2knb s SER 65 CO 0.40 0.23 0.07 -0.51 0.41 0.00 0.00 173.24 173.85 2knb s ILE 66 N -1.29 4.91 0.12 1.44 2.07 -1.26 -0.23 121.20 126.96 2knb s ILE 66 Ca 0.26 -0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.56 2knb s ILE 66 Cb -0.12 -3.12 -0.04 0.00 0.13 0.00 0.00 42.46 39.31 2knb s ILE 66 CO 0.18 0.59 -0.18 0.68 -1.91 0.00 0.00 174.94 174.30 2knb s VAL 67 N -0.78 1.62 -0.23 4.00 -7.23 0.14 -4.77 120.40 113.14 2knb s VAL 67 Ca 0.13 -1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 2knb s VAL 67 Cb -0.12 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2knb s VAL 67 CO 0.03 -0.23 0.02 -2.28 -0.31 0.00 0.00 175.10 172.32 2knb s HIS 68 N -1.66 3.03 -0.18 2.82 2.46 0.08 -0.89 115.29 120.94 2knb s HIS 68 Ca 0.09 -0.65 0.01 0.00 0.47 0.00 0.00 55.06 54.98 2knb s HIS 68 Cb -0.08 -2.17 0.04 0.00 -0.13 0.00 0.00 32.58 30.24 2knb s HIS 68 CO 0.05 -0.44 -0.12 0.42 -2.47 0.00 0.00 174.74 172.18 2knb s ILE 69 N 1.53 1.62 0.17 0.89 1.01 0.16 0.13 121.20 126.70 2knb s ILE 69 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2knb s ILE 69 Cb -0.15 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2knb s ILE 69 CO 0.00 0.27 -0.02 0.68 0.00 0.00 0.00 174.94 175.87 2knb s VAL 70 N 1.43 0.78 -0.41 2.92 -7.23 -1.03 -3.97 120.40 112.88 2knb s VAL 70 Ca 0.01 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 2knb s VAL 70 Cb -0.15 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2knb s VAL 70 CO -0.09 -0.54 0.67 -1.58 -0.31 0.00 0.00 175.10 173.26 2knb s GLN 71 N -3.88 3.44 -0.22 4.82 0.74 -1.26 -1.33 119.66 121.97 2knb s GLN 71 Ca 0.22 -0.17 -0.26 0.00 0.05 0.00 0.00 55.36 55.20 2knb s GLN 71 Cb 0.05 -3.90 -0.00 0.00 1.10 0.00 0.00 33.01 30.26 2knb s GLN 71 CO 0.03 -0.94 0.89 0.50 -0.55 0.00 0.00 175.29 175.22 2knb s ARG 72 N 2.89 4.24 0.20 1.67 3.52 0.15 -4.97 118.95 126.64 2knb s ARG 72 Ca 0.25 1.08 -0.30 0.00 -0.13 0.00 0.00 55.73 56.63 2knb s ARG 72 Cb -0.14 -3.62 -0.08 0.00 -1.56 0.00 0.00 34.95 29.55 2knb s ARG 72 CO 0.18 -0.50 0.99 -1.25 -0.81 0.00 0.00 175.30 173.92 2knb s PRO 73 N 2.75 4.74 -0.17 5.12 0.04 -1.26 -4.76 135.00 141.47 2knb s PRO 73 Ca 0.38 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2knb s PRO 73 Cb -0.16 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2knb s PRO 73 CO 0.08 0.32 -0.09 -0.65 0.04 0.00 0.00 177.00 176.70 2knb s GLN 74 N -0.74 3.38 -0.60 4.56 1.11 -1.26 -5.07 119.66 121.04 2knb s GLN 74 Ca 0.44 -0.66 -0.05 0.00 0.01 0.00 0.00 55.36 55.10 2knb s GLN 74 Cb -0.26 -2.79 0.16 0.00 -1.01 0.00 0.00 33.01 29.10 2knb s GLN 74 CO 0.33 0.04 0.44 1.03 0.01 0.00 0.00 175.29 177.13 2knb s ARG 75 N 0.83 2.62 0.00 2.91 0.52 -1.26 -5.25 118.95 119.32 2knb s ARG 75 Ca -0.03 -2.31 0.00 0.00 -0.52 0.00 0.00 55.73 52.87 2knb s ARG 75 Cb -0.15 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.48 2knb s ARG 75 CO 0.01 -1.18 0.44 1.63 0.02 0.00 0.00 175.30 176.22