#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knz h GLN 8 N 0.00 0.91 -0.05 -2.82 4.15 -1.92 0.26 115.11 115.65 1knz h GLN 8 Ca 0.00 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.16 1knz h GLN 8 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1knz h GLN 8 CO 0.00 0.69 -0.66 1.96 -1.93 0.00 0.00 178.83 178.90 1knz h GLN 9 N 0.91 0.19 -0.28 1.69 4.20 -1.98 -1.91 115.11 117.94 1knz h GLN 9 Ca 0.23 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1knz h GLN 9 Cb 0.07 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1knz h GLN 9 CO -0.03 0.78 -0.38 0.52 -0.67 0.00 0.00 178.83 179.04 1knz h MET 10 N 0.14 0.75 -0.48 1.46 2.86 -1.71 -1.37 114.93 116.57 1knz h MET 10 Ca -0.01 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1knz h MET 10 Cb 1.18 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 1knz h MET 10 CO 0.10 1.06 0.29 0.00 1.06 0.00 0.00 176.91 179.42 1knz h ALA 11 N 0.68 0.62 -0.39 6.32 0.00 -0.39 0.25 119.26 126.35 1knz h ALA 11 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1knz h ALA 11 Cb 0.98 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1knz h ALA 11 CO 0.09 -0.00 0.20 0.28 0.00 0.00 0.00 179.25 179.82 1knz h VAL 12 N 0.59 0.99 -0.38 0.00 2.07 -1.27 -0.12 116.25 118.14 1knz h VAL 12 Ca 0.19 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1knz h VAL 12 Cb -0.00 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1knz h VAL 12 CO -0.08 0.07 0.17 -1.28 0.02 0.00 0.00 177.57 176.47 1knz h SER 13 N 0.41 0.22 -0.57 0.57 0.87 -0.47 -1.00 113.55 113.59 1knz h SER 13 Ca 0.16 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1knz h SER 13 Cb 0.06 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1knz h SER 13 CO -0.10 0.17 0.35 0.40 -0.53 0.00 0.00 176.83 177.12 1knz h ILE 14 N 0.35 1.17 -0.78 2.23 2.04 -0.04 -0.39 117.51 122.09 1knz h ILE 14 Ca 0.16 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1knz h ILE 14 Cb 0.10 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1knz h ILE 14 CO -0.14 0.17 0.50 0.40 0.00 0.00 0.00 178.15 179.09 1knz h ILE 15 N 0.77 1.20 -0.43 -0.67 2.04 -0.64 -1.47 117.51 118.31 1knz h ILE 15 Ca 0.21 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1knz h ILE 15 Cb -0.03 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1knz h ILE 15 CO -0.04 0.20 -0.19 0.78 0.00 0.00 0.00 178.15 178.91 1knz h ASN 16 N 1.05 0.91 -0.36 1.72 4.21 -0.73 -2.63 115.58 119.75 1knz h ASN 16 Ca 0.28 -0.40 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1knz h ASN 16 Cb -0.10 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.83 1knz h ASN 16 CO -0.06 1.10 0.23 0.28 -1.29 0.00 0.00 177.43 177.70 1knz h SER 17 N 0.71 0.42 -0.58 5.81 0.02 -0.76 -0.80 113.55 118.37 1knz h SER 17 Ca 0.10 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1knz h SER 17 Cb 0.75 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1knz h SER 17 CO 0.06 0.31 0.28 -1.28 -1.14 0.00 0.00 176.83 175.06 1knz h SER 18 N 0.49 0.77 -0.75 3.07 0.87 -0.95 -0.12 113.55 116.93 1knz h SER 18 Ca 0.13 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1knz h SER 18 Cb -0.05 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1knz h SER 18 CO -0.03 0.68 0.35 0.15 -0.53 0.00 0.00 176.83 177.45 1knz h PHE 19 N 0.80 1.10 -0.25 2.24 3.57 -0.85 -1.35 116.94 122.20 1knz h PHE 19 Ca 0.20 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1knz h PHE 19 Cb 0.12 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1knz h PHE 19 CO -0.00 0.81 -0.08 0.93 -2.23 0.00 0.00 178.31 177.74 1knz h GLU 20 N 1.06 0.39 -0.18 1.11 5.08 -0.72 -1.86 114.58 119.47 1knz h GLU 20 Ca 0.26 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1knz h GLU 20 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1knz h GLU 20 CO -0.03 0.49 -0.52 0.00 -1.00 0.00 0.00 179.01 177.95 1knz h ALA 21 N 1.55 0.77 -0.10 3.43 0.00 -0.28 -1.68 119.26 122.96 1knz h ALA 21 Ca 0.08 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1knz h ALA 21 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1knz h ALA 21 CO 0.02 0.68 -0.56 0.00 0.00 0.00 0.00 179.25 179.38 1knz h ALA 22 N 1.05 0.85 -0.07 0.00 0.00 -0.84 -1.51 119.26 118.74 1knz h ALA 22 Ca 0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1knz h ALA 22 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1knz h ALA 22 CO 0.09 0.70 -0.21 0.28 0.00 0.00 0.00 179.25 180.11 1knz h VAL 23 N 0.24 1.43 0.00 0.00 2.07 -1.21 -1.78 116.25 117.00 1knz h VAL 23 Ca 0.00 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 1knz h VAL 23 Cb 1.06 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1knz h VAL 23 CO 0.09 0.45 -0.26 0.58 0.02 0.00 0.00 177.57 178.45 1knz h VAL 24 N -0.23 1.11 0.08 2.57 2.07 -1.31 0.11 116.25 120.65 1knz h VAL 24 Ca -0.01 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1knz h VAL 24 Cb 0.83 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1knz h VAL 24 CO 0.04 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 1knz h ALA 25 N 1.74 -0.11 0.06 1.67 0.00 -1.23 -0.01 119.26 121.38 1knz h ALA 25 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1knz h ALA 25 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1knz h ALA 25 CO 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 179.25 178.98 1knz h ALA 26 N 0.13 -0.08 -0.30 0.00 0.00 -1.14 0.12 119.26 117.98 1knz h ALA 26 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1knz h ALA 26 Cb 0.55 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1knz h ALA 26 CO 0.02 -0.49 0.10 0.00 0.00 0.00 0.00 179.25 178.88 1knz h THR 27 N -0.20 0.92 0.00 0.00 1.03 -0.87 -1.43 112.91 112.37 1knz h THR 27 Ca -0.01 -0.08 -0.06 0.00 -0.01 0.00 0.00 66.41 66.25 1knz h THR 27 Cb 0.17 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 67.90 1knz h THR 27 CO 0.01 0.04 -0.28 0.77 -0.01 0.00 0.00 175.52 176.06 1knz h SER 28 N 0.24 0.00 -0.35 0.00 4.64 -0.91 -2.93 113.55 114.24 1knz h SER 28 Ca 0.13 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 1knz h SER 28 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1knz h SER 28 CO -0.14 0.28 -0.35 0.00 -0.87 0.00 0.00 176.83 175.75 1knz h ALA 29 N 1.72 0.51 0.34 5.18 0.00 -0.05 -2.22 119.26 124.73 1knz h ALA 29 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1knz h ALA 29 Cb 0.87 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1knz h ALA 29 CO 0.04 0.58 -0.16 -0.07 0.00 0.00 0.00 179.25 179.64 1knz h LEU 30 N 0.64 -0.38 -0.45 0.00 -0.00 -1.16 -2.94 115.31 111.02 1knz h LEU 30 Ca 0.05 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.96 1knz h LEU 30 Cb 0.94 0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 1knz h LEU 30 CO 0.09 -0.24 0.22 -0.08 -0.00 0.00 0.00 178.44 178.42 1knz h GLU 31 N -0.49 0.42 0.00 1.13 4.81 -1.56 -0.84 114.58 118.05 1knz h GLU 31 Ca -0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1knz h GLU 31 Cb 0.37 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1knz h GLU 31 CO 0.08 0.28 0.00 -0.97 -0.73 0.00 0.00 179.01 177.66 1knz h ASN 32 N 0.43 0.00 -0.49 1.04 -1.24 -1.37 0.08 115.58 114.03 1knz h ASN 32 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1knz h ASN 32 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1knz h ASN 32 CO -0.15 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.22 1knz n MET 33 N -2.53 2.59 -2.16 6.67 2.81 -0.43 -4.96 117.12 119.11 1knz n MET 33 Ca -0.01 -2.29 -0.11 0.00 -1.81 0.00 0.00 57.70 53.48 1knz n MET 33 Cb 0.09 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1knz n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1knz n GLY 34 N 1.17 -0.01 3.50 3.03 0.00 0.02 -5.02 105.19 107.89 1knz n GLY 34 Ca 0.18 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1knz n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1knz s ILE 35 N -2.54 4.18 0.59 -0.61 1.01 -0.54 -5.02 121.20 118.28 1knz s ILE 35 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1knz s ILE 35 Cb 0.00 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1knz s ILE 35 CO 0.00 0.44 1.10 -1.83 0.00 0.00 0.00 174.94 174.65 1knz s GLU 36 N 0.77 3.16 -0.09 2.79 4.04 -1.26 -4.03 118.70 124.08 1knz s GLU 36 Ca 0.01 1.43 -0.30 0.00 0.04 0.00 0.00 54.97 56.15 1knz s GLU 36 Cb -0.14 -2.00 0.12 0.00 0.02 0.00 0.00 34.13 32.13 1knz s GLU 36 CO 0.02 -0.97 0.99 1.52 -1.84 0.00 0.00 175.26 174.98 1knz s TYR 37 N -2.14 -0.31 -0.18 4.83 -0.85 -1.26 -5.05 117.35 112.40 1knz s TYR 37 Ca 0.68 0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 57.47 1knz s TYR 37 Cb -0.20 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 1knz s TYR 37 CO 0.34 -0.41 0.04 0.34 -1.52 0.00 0.00 175.55 174.34 1knz s ASP 38 N -1.99 5.41 0.14 -0.18 -1.08 -1.26 -5.02 116.67 112.70 1knz s ASP 38 Ca 0.04 0.01 -0.30 0.00 -0.52 0.00 0.00 52.55 51.77 1knz s ASP 38 Cb -0.01 -1.92 -0.06 0.00 -1.46 0.00 0.00 42.92 39.46 1knz s ASP 38 CO -0.05 0.15 1.56 0.22 0.52 0.00 0.00 175.17 177.57 1knz h TYR 39 N 6.87 -1.52 -0.67 -5.34 3.20 -2.01 -0.96 116.97 116.55 1knz h TYR 39 Ca -0.36 0.08 0.14 0.00 3.14 0.00 0.00 58.73 61.73 1knz h TYR 39 Cb 1.17 0.72 -0.10 0.00 1.54 0.00 0.00 36.73 40.06 1knz h TYR 39 CO 0.57 -0.48 0.11 1.96 -1.64 0.00 0.00 178.16 178.69 1knz h GLN 40 N -0.38 0.21 0.35 1.82 1.08 -1.98 0.25 115.11 116.47 1knz h GLN 40 Ca 0.10 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1knz h GLN 40 Cb 0.60 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1knz h GLN 40 CO -0.58 0.14 -0.42 0.22 -0.95 0.00 0.00 178.83 177.24 1knz h ASP 41 N 0.22 -1.16 -0.35 1.46 3.58 -1.63 0.89 116.42 119.44 1knz h ASP 41 Ca 0.36 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.94 1knz h ASP 41 Cb 0.60 0.39 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 1knz h ASP 41 CO -0.49 -0.53 0.23 0.40 -2.88 0.00 0.00 179.24 175.97 1knz h ILE 42 N -0.78 1.02 -0.08 2.25 2.04 -0.87 -1.36 117.51 119.74 1knz h ILE 42 Ca -0.04 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1knz h ILE 42 Cb 0.69 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1knz h ILE 42 CO -0.09 0.07 0.01 0.22 0.00 0.00 0.00 178.15 178.36 1knz h TYR 43 N 0.36 0.15 -0.41 1.37 3.20 -0.05 -2.42 116.97 119.18 1knz h TYR 43 Ca 0.14 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1knz h TYR 43 Cb 0.12 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1knz h TYR 43 CO -0.00 0.37 0.26 1.03 -1.64 0.00 0.00 178.16 178.18 1knz h SER 44 N -0.11 0.45 -0.14 -2.11 0.87 -0.12 -1.46 113.55 110.92 1knz h SER 44 Ca 0.02 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1knz h SER 44 Cb 0.31 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1knz h SER 44 CO 0.00 0.33 0.07 0.03 -0.53 0.00 0.00 176.83 176.73 1knz h ARG 45 N 0.54 0.15 0.00 2.24 3.08 -1.23 -1.43 114.38 117.73 1knz h ARG 45 Ca 0.15 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1knz h ARG 45 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1knz h ARG 45 CO -0.04 0.10 -0.31 0.28 -1.07 0.00 0.00 179.97 178.93 1knz h VAL 46 N 0.15 1.14 -0.07 2.04 2.07 -1.34 -2.22 116.25 118.03 1knz h VAL 46 Ca 0.05 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.28 1knz h VAL 46 Cb 0.00 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1knz h VAL 46 CO -0.03 0.30 -0.80 0.50 0.02 0.00 0.00 177.57 177.56 1knz h LYS 47 N 0.00 0.49 -0.36 1.57 3.11 -0.89 0.24 116.57 120.74 1knz h LYS 47 Ca -0.00 -0.43 -0.16 0.00 -2.81 0.00 0.00 60.65 57.24 1knz h LYS 47 Cb 0.58 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1knz h LYS 47 CO 0.04 1.07 -0.42 -0.91 -2.81 0.00 0.00 179.45 176.42 1knz h ASN 48 N 0.32 0.98 -0.11 4.20 2.35 -1.07 -0.71 115.58 121.55 1knz h ASN 48 Ca -0.05 -0.48 -0.02 0.00 -0.55 0.00 0.00 56.30 55.19 1knz h ASN 48 Cb 1.40 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 1knz h ASN 48 CO 0.14 1.27 -0.03 0.50 -1.65 0.00 0.00 177.43 177.67 1knz h LYS 49 N 0.72 0.22 0.25 0.81 1.63 -1.36 -1.26 116.57 117.56 1knz h LYS 49 Ca 0.05 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1knz h LYS 49 Cb 1.01 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1knz h LYS 49 CO 0.10 0.52 -0.12 0.35 -3.45 0.00 0.00 179.45 176.85 1knz h PHE 50 N -0.10 -0.31 -0.94 1.91 3.57 -0.95 0.14 116.94 120.27 1knz h PHE 50 Ca 0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1knz h PHE 50 Cb 0.43 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1knz h PHE 50 CO 0.05 -0.14 0.61 -0.44 -2.23 0.00 0.00 178.31 176.16 1knz h ASP 51 N -0.40 1.02 -0.16 0.41 3.45 -1.18 0.98 116.42 120.54 1knz h ASP 51 Ca -0.03 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1knz h ASP 51 Cb 0.31 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1knz h ASP 51 CO 0.06 0.70 -0.03 0.15 -1.57 0.00 0.00 179.24 178.54 1knz h PHE 52 N 1.18 0.34 -0.26 4.55 3.57 -1.01 -1.88 116.94 123.43 1knz h PHE 52 Ca 0.37 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1knz h PHE 52 Cb 0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1knz h PHE 52 CO -0.01 0.57 0.11 0.28 -2.23 0.00 0.00 178.31 177.03 1knz h VAL 53 N 0.01 1.16 -0.40 1.41 2.07 -0.35 0.91 116.25 121.06 1knz h VAL 53 Ca 0.04 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1knz h VAL 53 Cb 0.46 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1knz h VAL 53 CO 0.02 0.17 -0.02 0.24 0.02 0.00 0.00 177.57 178.00 1knz h MET 54 N 0.27 0.65 0.01 1.57 2.86 -0.85 -1.17 114.93 118.28 1knz h MET 54 Ca 0.09 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1knz h MET 54 Cb 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1knz h MET 54 CO -0.01 0.68 -0.01 0.22 1.06 0.00 0.00 176.91 178.86 1knz h ASP 55 N 0.62 -0.01 -0.32 1.22 3.58 -1.10 -1.79 116.42 118.61 1knz h ASP 55 Ca 0.12 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 56.93 1knz h ASP 55 Cb 0.41 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1knz h ASP 55 CO 0.02 0.79 0.19 -0.78 -2.88 0.00 0.00 179.24 176.58 1knz h ASP 56 N -0.98 0.42 1.36 2.28 1.82 0.82 -2.57 116.42 119.56 1knz h ASP 56 Ca -0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1knz h ASP 56 Cb 0.65 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1knz h ASP 56 CO 0.00 0.34 0.00 0.77 -1.61 0.00 0.00 179.24 178.74 1knz h SER 57 N 0.48 0.00 0.00 2.28 4.64 -1.35 -3.46 113.55 116.14 1knz h SER 57 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1knz h SER 57 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1knz h SER 57 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1knz n GLY 58 N 0.66 1.71 0.20 -0.77 0.00 -0.97 -4.88 105.19 101.14 1knz n GLY 58 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1knz n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1knz h VAL 59 N 0.00 1.14 -0.42 1.61 2.07 -1.82 -2.46 116.25 116.37 1knz h VAL 59 Ca 0.00 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1knz h VAL 59 Cb 0.00 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1knz h VAL 59 CO 0.00 0.30 0.10 0.50 0.02 0.00 0.00 177.57 178.49 1knz h LYS 60 N 0.00 0.67 -0.23 1.57 3.64 -1.66 -2.69 116.57 117.87 1knz h LYS 60 Ca -0.00 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1knz h LYS 60 Cb 0.56 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1knz h LYS 60 CO 0.04 0.69 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.96 1knz h ASN 61 N 0.53 0.32 0.45 4.20 2.35 -1.77 -2.66 115.58 119.00 1knz h ASN 61 Ca 0.13 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1knz h ASN 61 Cb 0.32 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1knz h ASN 61 CO 0.00 0.41 -0.31 -1.13 -1.65 0.00 0.00 177.43 174.75 1knz h ASN 62 N 0.33 -0.78 -0.13 5.81 -0.73 -1.10 0.54 115.58 119.52 1knz h ASN 62 Ca 0.07 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.26 1knz h ASN 62 Cb 0.28 0.24 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 1knz h ASN 62 CO 0.01 -0.47 -0.07 -0.65 -0.37 0.00 0.00 177.43 175.88 1knz h PRO 63 N -0.73 0.28 -0.44 6.67 0.11 -1.52 -0.14 132.00 136.24 1knz h PRO 63 Ca -0.05 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1knz h PRO 63 Cb 0.61 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1knz h PRO 63 CO 0.03 0.63 0.14 0.82 -0.21 0.00 0.00 178.00 179.40 1knz h ILE 64 N -0.06 1.18 -0.29 4.15 2.04 -1.54 0.60 117.51 123.59 1knz h ILE 64 Ca 0.03 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1knz h ILE 64 Cb 0.55 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1knz h ILE 64 CO 0.02 0.23 -0.07 1.23 0.00 0.00 0.00 178.15 179.57 1knz h GLY 65 N 0.82 0.60 1.49 5.37 0.00 -0.77 -1.60 103.07 108.98 1knz h GLY 65 Ca 0.15 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1knz h GLY 65 CO -0.01 0.45 -0.17 0.50 0.00 0.00 0.00 176.54 177.31 1knz h LYS 66 N 0.32 0.60 -0.55 4.80 1.57 -0.20 -1.97 116.57 121.14 1knz h LYS 66 Ca 0.07 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1knz h LYS 66 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1knz h LYS 66 CO 0.03 0.75 0.04 0.00 -0.57 0.00 0.00 179.45 179.69 1knz h ALA 67 N 1.27 1.03 -0.31 3.86 0.00 0.34 -2.40 119.26 123.05 1knz h ALA 67 Ca 0.09 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1knz h ALA 67 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1knz h ALA 67 CO 0.04 0.61 -0.13 0.82 0.00 0.00 0.00 179.25 180.59 1knz h ILE 68 N 0.85 1.24 -0.66 0.00 2.04 -0.89 -1.92 117.51 118.16 1knz h ILE 68 Ca 0.17 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1knz h ILE 68 Cb 0.45 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1knz h ILE 68 CO 0.02 0.35 0.29 0.74 0.00 0.00 0.00 178.15 179.54 1knz h THR 69 N 0.49 1.23 0.04 -0.27 2.02 -0.89 -1.75 112.91 113.79 1knz h THR 69 Ca 0.09 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1knz h THR 69 Cb 0.52 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1knz h THR 69 CO 0.03 0.28 -0.02 0.40 0.37 0.00 0.00 175.52 176.58 1knz h ILE 70 N 0.93 1.15 -0.55 3.11 2.04 -1.10 -1.49 117.51 121.60 1knz h ILE 70 Ca 0.22 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.57 1knz h ILE 70 Cb 0.17 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.72 1knz h ILE 70 CO -0.02 0.16 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 1knz h ASP 71 N -0.33 -0.27 0.01 1.72 3.32 -1.24 0.94 116.42 120.57 1knz h ASP 71 Ca -0.01 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1knz h ASP 71 Cb 0.30 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1knz h ASP 71 CO 0.01 -0.10 -0.23 1.56 -1.72 0.00 0.00 179.24 178.76 1knz h GLN 72 N 0.11 -0.35 -0.15 3.56 4.20 -1.23 0.09 115.11 121.33 1knz h GLN 72 Ca 0.28 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.06 1knz h GLN 72 Cb 0.44 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1knz h GLN 72 CO -0.48 -0.24 0.21 0.00 -0.67 0.00 0.00 178.83 177.66 1knz h ALA 73 N 0.49 1.67 0.00 3.87 0.00 0.13 0.70 119.26 126.12 1knz h ALA 73 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1knz h ALA 73 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1knz h ALA 73 CO -0.20 -0.29 -0.25 -0.07 0.00 0.00 0.00 179.25 178.44 1knz h LEU 74 N 0.00 0.00 -3.32 0.00 3.38 0.96 -3.05 115.31 113.27 1knz h LEU 74 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1knz h LEU 74 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1knz h LEU 74 CO -0.00 0.20 0.09 -3.20 0.09 0.00 0.00 178.44 175.63 1knz n ASN 75 N -3.13 4.91 -1.38 -0.43 2.85 0.24 -4.91 115.26 113.41 1knz n ASN 75 Ca 0.03 -2.91 -0.13 0.00 -0.11 0.00 0.00 54.58 51.45 1knz n ASN 75 Cb 0.62 -0.69 -0.02 0.00 1.24 0.00 0.00 39.78 40.93 1knz n ASN 75 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1knz n ASN 76 N 0.30 -4.28 -3.95 1.20 3.02 -0.99 -4.97 115.26 105.59 1knz n ASN 76 Ca 0.29 0.09 -0.30 0.00 -0.03 0.00 0.00 54.58 54.63 1knz n ASN 76 Cb 1.16 -3.32 -0.11 0.00 -0.61 0.00 0.00 39.78 36.90 1knz n ASN 76 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1knz s LYS 77 N -4.22 2.68 0.00 3.52 1.02 -0.75 -4.92 119.74 117.07 1knz s LYS 77 Ca 0.00 -3.36 0.27 0.00 0.02 0.00 0.00 55.97 52.90 1knz s LYS 77 Cb 0.00 -3.56 1.49 0.00 -0.52 0.00 0.00 37.83 35.24 1knz s LYS 77 CO 0.00 -1.28 1.94 1.19 -0.92 0.00 0.00 175.35 176.27 1knz n PHE 78 N 2.02 0.00 -0.39 3.18 3.01 -1.26 -3.03 117.46 120.99 1knz n PHE 78 Ca 0.20 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.63 1knz n PHE 78 Cb 0.35 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.70 1knz n PHE 78 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1knz n GLY 79 N 0.81 -2.18 0.19 1.37 0.00 -1.26 0.67 105.19 104.79 1knz n GLY 79 Ca 0.17 1.13 -0.10 0.00 0.00 0.00 0.00 46.02 47.22 1knz n GLY 79 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1knz h SER 80 N 0.00 0.58 -0.78 1.61 0.87 -1.90 0.61 113.55 114.55 1knz h SER 80 Ca 0.30 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1knz h SER 80 Cb 0.55 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1knz h SER 80 CO -0.98 0.71 0.47 0.00 -0.53 0.00 0.00 176.83 176.50 1knz h ALA 81 N 0.89 1.34 -0.46 6.23 0.00 -1.37 0.42 119.26 126.32 1knz h ALA 81 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1knz h ALA 81 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1knz h ALA 81 CO 0.01 0.56 0.19 0.82 0.00 0.00 0.00 179.25 180.83 1knz h ILE 82 N 1.08 1.21 -0.60 0.00 2.04 0.62 -0.30 117.51 121.56 1knz h ILE 82 Ca 0.28 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1knz h ILE 82 Cb -0.03 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1knz h ILE 82 CO -0.05 0.24 0.29 -0.09 0.00 0.00 0.00 178.15 178.53 1knz h ARG 83 N 0.61 0.85 -0.61 2.37 2.43 0.66 -1.53 114.38 119.16 1knz h ARG 83 Ca 0.15 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1knz h ARG 83 Cb 0.19 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1knz h ARG 83 CO -0.01 0.66 0.11 -0.97 -1.51 0.00 0.00 179.97 178.25 1knz h ASN 84 N 0.85 0.96 -0.14 -3.80 -1.24 0.63 -0.84 115.58 111.99 1knz h ASN 84 Ca 0.21 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1knz h ASN 84 Cb 0.09 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1knz h ASN 84 CO -0.03 0.97 0.00 0.03 -1.29 0.00 0.00 177.43 177.11 1knz h ARG 85 N 0.91 0.25 -0.87 6.67 2.47 -0.64 -2.56 114.38 120.61 1knz h ARG 85 Ca 0.19 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1knz h ARG 85 Cb 0.41 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.66 1knz h ARG 85 CO 0.01 0.48 0.57 -0.91 0.56 0.00 0.00 179.97 180.68 1knz h ASN 86 N -0.00 0.98 0.37 7.04 2.35 -1.20 -0.79 115.58 124.32 1knz h ASN 86 Ca 0.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1knz h ASN 86 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1knz h ASN 86 CO 0.01 0.70 -0.25 -0.25 -1.65 0.00 0.00 177.43 175.99 1knz h TRP 87 N 1.16 -0.65 -0.18 1.19 7.01 -1.07 0.58 115.95 123.99 1knz h TRP 87 Ca 0.33 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 1knz h TRP 87 Cb -0.10 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1knz h TRP 87 CO -0.01 -0.38 0.05 -0.07 -2.79 0.00 0.00 178.44 175.24 1knz h LEU 88 N -0.60 0.22 0.00 0.65 3.38 -1.29 -2.81 115.31 114.86 1knz h LEU 88 Ca -0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1knz h LEU 88 Cb 0.51 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1knz h LEU 88 CO 0.02 0.23 -0.65 0.00 0.09 0.00 0.00 178.44 178.13 1knz h ALA 89 N 1.81 0.62 -0.87 1.53 0.00 -0.74 -3.46 119.26 118.14 1knz h ALA 89 Ca 0.06 -0.56 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 1knz h ALA 89 Cb 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 17.88 1knz h ALA 89 CO -0.00 0.76 -0.18 -0.25 0.00 0.00 0.00 179.25 179.57 1knz n ASP 90 N -3.23 -0.50 0.26 0.00 10.43 0.16 -4.77 116.55 118.89 1knz n ASP 90 Ca 0.01 1.00 0.12 0.00 2.57 0.00 0.00 54.79 58.49 1knz n ASP 90 Cb 0.78 -0.82 0.76 0.00 1.84 0.00 0.00 41.12 43.68 1knz n ASP 90 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1knz h THR 91 N 1.83 0.77 -0.61 -3.53 1.35 -1.91 -1.85 112.91 108.96 1knz h THR 91 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1knz h THR 91 Cb 1.25 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1knz h THR 91 CO 0.54 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.61 1knz n SER 92 N -4.22 4.04 0.16 5.36 7.64 -1.26 -4.62 113.62 120.73 1knz n SER 92 Ca -0.02 -2.21 -0.14 0.00 1.01 0.00 0.00 58.87 57.51 1knz n SER 92 Cb 0.13 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1knz n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1knz h ARG 93 N 3.66 -0.38 -0.94 1.43 9.65 -1.62 -1.18 114.38 125.00 1knz h ARG 93 Ca 0.00 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1knz h ARG 93 Cb 1.13 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.73 1knz h ARG 93 CO 0.09 -0.25 0.61 -1.35 2.80 0.00 0.00 179.97 181.87 1knz h PRO 94 N -0.40 1.11 -0.26 0.20 0.11 -1.82 -1.21 132.00 129.74 1knz h PRO 94 Ca -0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1knz h PRO 94 Cb 0.33 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1knz h PRO 94 CO 0.02 0.73 0.09 0.00 -0.21 0.00 0.00 178.00 178.64 1knz h ALA 95 N 1.47 0.34 -0.09 -0.75 0.00 -1.80 -0.04 119.26 118.39 1knz h ALA 95 Ca 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1knz h ALA 95 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1knz h ALA 95 CO -0.13 -0.05 0.05 0.87 0.00 0.00 0.00 179.25 179.98 1knz h LYS 96 N 0.26 0.12 -0.37 0.00 1.79 -0.72 -1.03 116.57 116.62 1knz h LYS 96 Ca 0.08 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1knz h LYS 96 Cb 0.21 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1knz h LYS 96 CO -0.00 0.17 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.29 1knz h LEU 97 N 0.04 0.70 -0.48 2.94 3.38 -1.22 -1.10 115.31 119.56 1knz h LEU 97 Ca 0.03 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1knz h LEU 97 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1knz h LEU 97 CO -0.00 0.87 0.32 0.44 0.09 0.00 0.00 178.44 180.16 1knz h ASP 98 N 0.62 0.55 -0.51 -0.43 3.32 -0.81 1.19 116.42 120.36 1knz h ASP 98 Ca 0.10 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1knz h ASP 98 Cb 0.64 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1knz h ASP 98 CO 0.05 0.40 0.08 -0.33 -1.72 0.00 0.00 179.24 177.72 1knz h GLU 99 N 0.65 0.90 0.12 3.56 5.08 -0.94 0.23 114.58 124.19 1knz h GLU 99 Ca 0.18 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1knz h GLU 99 Cb -0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1knz h GLU 99 CO -0.04 0.84 -0.06 0.22 -1.00 0.00 0.00 179.01 178.98 1knz h ASP 100 N 0.85 -0.13 -0.81 1.42 1.82 -0.33 -2.44 116.42 116.79 1knz h ASP 100 Ca 0.17 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1knz h ASP 100 Cb 0.39 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 1knz h ASP 100 CO 0.01 0.21 0.41 0.58 -1.61 0.00 0.00 179.24 178.84 1knz h VAL 101 N -0.49 1.25 -0.71 2.25 2.07 0.16 -2.82 116.25 117.96 1knz h VAL 101 Ca -0.02 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1knz h VAL 101 Cb 0.40 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1knz h VAL 101 CO 0.03 0.29 0.23 0.78 0.02 0.00 0.00 177.57 178.92 1knz h ASN 102 N 1.16 1.02 -0.45 0.57 2.35 -0.50 -1.72 115.58 118.00 1knz h ASN 102 Ca 0.28 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1knz h ASN 102 Cb 0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1knz h ASN 102 CO -0.04 0.94 0.20 0.11 -1.65 0.00 0.00 177.43 177.00 1knz h LYS 103 N 1.06 0.66 -0.56 0.81 1.79 -1.20 -2.23 116.57 116.90 1knz h LYS 103 Ca 0.23 -0.11 -0.10 0.00 -2.18 0.00 0.00 60.65 58.49 1knz h LYS 103 Cb 0.28 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1knz h LYS 103 CO -0.01 0.58 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.82 1knz h LEU 104 N 0.59 1.00 -1.08 2.94 3.38 -1.34 -2.93 115.31 117.86 1knz h LEU 104 Ca 0.15 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1knz h LEU 104 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1knz h LEU 104 CO -0.02 1.08 -0.35 0.03 0.09 0.00 0.00 178.44 179.27 1knz h ARG 105 N 0.91 0.20 0.00 1.13 3.08 -1.15 -2.15 114.38 116.41 1knz h ARG 105 Ca 0.15 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1knz h ARG 105 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1knz h ARG 105 CO 0.04 0.53 -0.16 1.98 -1.07 0.00 0.00 179.97 181.29 1knz h MET 106 N 0.18 0.00 0.00 0.04 4.05 -1.23 -2.74 114.93 115.22 1knz h MET 106 Ca 0.02 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1knz h MET 106 Cb 0.71 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1knz h MET 106 CO 0.05 0.16 -0.49 0.52 0.23 0.00 0.00 176.91 177.38 1knz h MET 107 N 0.00 0.00 -3.13 0.39 2.86 -1.23 -3.52 114.93 110.30 1knz h MET 107 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1knz h MET 107 Cb 0.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1knz h MET 107 CO 0.02 0.49 0.63 1.28 1.06 0.00 0.00 176.91 180.39 1knz n LEU 108 N -3.58 0.72 0.00 1.22 4.77 -1.04 -5.13 117.00 113.96 1knz n LEU 108 Ca -0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1knz n LEU 108 Cb 0.58 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1knz n LEU 108 CO 0.39 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1knz n GLY 112 N 3.19 2.04 3.80 -0.72 0.00 -1.26 -5.08 105.19 107.17 1knz n GLY 112 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1knz n GLY 112 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1knz n ILE 113 N 0.00 0.00 0.17 -0.61 2.08 -1.26 -4.87 119.36 114.87 1knz n ILE 113 Ca 0.00 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 1knz n ILE 113 Cb 0.00 -0.04 -0.07 0.00 -0.75 0.00 0.00 39.64 38.78 1knz n ILE 113 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1knz h ASP 114 N 0.00 -0.94 0.05 4.38 3.45 -2.05 0.71 116.42 122.01 1knz h ASP 114 Ca 0.00 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1knz h ASP 114 Cb 0.00 0.34 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1knz h ASP 114 CO 0.00 -0.45 -0.04 0.06 -1.57 0.00 0.00 179.24 177.24 1knz h GLN 115 N -0.64 -0.08 -0.76 3.56 -0.00 -2.00 -1.39 115.11 113.79 1knz h GLN 115 Ca 0.00 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.82 1knz h GLN 115 Cb 0.62 0.02 -0.11 0.00 -0.00 0.00 0.00 27.48 28.01 1knz h GLN 115 CO -0.12 -0.06 0.25 1.57 -0.00 0.00 0.00 178.83 180.47 1knz h LYS 116 N -0.09 0.34 -0.31 0.06 -0.00 -1.91 -1.28 116.57 113.38 1knz h LYS 116 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 60.65 60.50 1knz h LYS 116 Cb 0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 32.22 1knz h LYS 116 CO -0.00 0.23 -0.34 0.52 -0.00 0.00 0.00 179.45 179.85 1knz h MET 117 N 0.35 0.70 -0.41 0.07 2.07 -0.53 -1.70 114.93 115.49 1knz h MET 117 Ca 0.43 -0.33 0.04 0.00 -2.07 0.00 0.00 59.70 57.77 1knz h MET 117 Cb 0.72 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.40 1knz h MET 117 CO -0.47 0.94 0.17 -0.09 1.07 0.00 0.00 176.91 178.53 1knz h ARG 118 N 0.59 0.34 -0.06 1.72 2.43 -0.12 1.15 114.38 120.42 1knz h ARG 118 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1knz h ARG 118 Cb 0.86 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1knz h ARG 118 CO 0.07 0.22 -0.00 0.28 -1.51 0.00 0.00 179.97 179.03 1knz h VAL 119 N 0.35 1.27 -0.72 0.20 2.07 -1.38 -3.07 116.25 114.97 1knz h VAL 119 Ca 0.18 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1knz h VAL 119 Cb 0.14 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1knz h VAL 119 CO -0.16 0.23 0.27 -0.07 0.02 0.00 0.00 177.57 177.85 1knz h LEU 120 N -0.21 1.01 -2.47 2.57 3.38 -0.94 -2.63 115.31 116.03 1knz h LEU 120 Ca 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1knz h LEU 120 Cb 0.36 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1knz h LEU 120 CO 0.00 0.92 -0.02 0.78 0.09 0.00 0.00 178.44 180.21 1knz h ASN 121 N 1.04 0.00 0.98 -0.43 2.35 0.14 -0.43 115.58 119.22 1knz h ASN 121 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1knz h ASN 121 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1knz h ASN 121 CO -0.02 0.02 -0.78 0.00 -1.65 0.00 0.00 177.43 175.00 1knz h ALA 122 N 1.98 0.55 0.00 -0.83 0.00 -1.37 -3.38 119.26 116.21 1knz h ALA 122 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1knz h ALA 122 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1knz h ALA 122 CO 0.00 0.00 -1.83 0.00 0.00 0.00 0.00 179.25 177.42 1knz s PHE 124 N -2.66 1.24 -0.03 0.00 0.40 -0.23 -4.68 117.98 112.02 1knz s PHE 124 Ca -0.06 -0.74 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1knz s PHE 124 Cb 0.07 -0.64 -0.00 0.00 0.51 0.00 0.00 43.02 42.96 1knz s PHE 124 CO 0.60 0.07 -0.15 0.45 0.70 0.00 0.00 175.22 176.89 1knz s SER 125 N -3.05 1.82 -0.25 1.36 0.15 -0.66 -4.61 113.70 108.47 1knz s SER 125 Ca 0.15 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 1knz s SER 125 Cb 0.02 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.90 1knz s SER 125 CO 0.00 0.15 0.09 -0.69 1.20 0.00 0.00 173.24 174.00 1knz s VAL 126 N -0.07 4.59 0.38 4.45 1.01 -1.26 -0.67 120.40 128.83 1knz s VAL 126 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1knz s VAL 126 Cb -0.09 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1knz s VAL 126 CO 0.01 0.34 0.06 -1.59 0.00 0.00 0.00 175.10 173.92 1knz s LYS 127 N 1.46 1.83 -0.03 2.72 -2.85 0.16 -4.97 119.74 118.06 1knz s LYS 127 Ca 0.06 -2.07 -0.01 0.00 -1.00 0.00 0.00 55.97 52.96 1knz s LYS 127 Cb -0.15 -0.99 0.03 0.00 -2.06 0.00 0.00 37.83 34.66 1knz s LYS 127 CO 0.05 -0.26 0.05 0.50 0.10 0.00 0.00 175.35 175.79 1knz s ARG 128 N -3.82 -0.00 -0.07 1.78 3.52 -1.26 -0.01 118.95 119.09 1knz s ARG 128 Ca 0.29 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 1knz s ARG 128 Cb 0.07 -0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 1knz s ARG 128 CO 0.14 -0.14 1.02 0.42 -0.81 0.00 0.00 175.30 175.93 1knz s ILE 129 N 0.89 4.75 0.06 4.11 1.01 -1.26 -4.95 121.20 125.81 1knz s ILE 129 Ca -0.07 2.00 -0.37 0.00 0.00 0.00 0.00 60.65 62.20 1knz s ILE 129 Cb -0.10 -4.28 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 1knz s ILE 129 CO -0.03 0.05 1.03 -2.65 0.00 0.00 0.00 174.94 173.34 1knz n PRO 130 N 4.68 0.27 0.00 2.79 -0.02 -1.26 -1.05 135.00 140.40 1knz n PRO 130 Ca 0.08 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1knz n PRO 130 Cb 0.49 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1knz n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1knz n GLY 131 N 1.76 2.97 3.82 -1.23 0.00 -1.26 -5.02 105.19 106.23 1knz n GLY 131 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1knz n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1knz s LYS 132 N -0.22 4.25 0.09 1.61 1.02 -0.22 -4.68 119.74 121.60 1knz s LYS 132 Ca 0.00 1.05 0.22 0.00 0.02 0.00 0.00 55.97 57.27 1knz s LYS 132 Cb 0.00 -2.38 -0.13 0.00 -0.52 0.00 0.00 37.83 34.80 1knz s LYS 132 CO 0.00 0.09 0.82 -1.13 -0.92 0.00 0.00 175.35 174.21 1knz n SER 133 N -0.28 0.50 -3.95 2.83 3.41 -1.26 -4.81 113.62 110.05 1knz n SER 133 Ca 0.05 0.13 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 1knz n SER 133 Cb 0.53 1.09 0.16 0.00 -0.26 0.00 0.00 64.21 65.73 1knz n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1knz n SER 134 N -2.42 0.47 -4.62 4.04 3.41 -1.26 -4.72 113.62 108.52 1knz n SER 134 Ca -0.01 -1.64 -0.28 0.00 -0.26 0.00 0.00 58.87 56.67 1knz n SER 134 Cb 0.54 -0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1knz n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1knz s SER 135 N -5.25 3.78 -0.06 4.04 1.04 -1.26 -4.65 113.70 111.33 1knz s SER 135 Ca 0.67 -1.41 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1knz s SER 135 Cb -0.02 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1knz s SER 135 CO 0.46 -0.52 -0.10 -0.63 0.98 0.00 0.00 173.24 173.43 1knz s ILE 136 N -2.79 0.96 -0.17 -1.02 -1.09 0.99 -4.95 121.20 113.13 1knz s ILE 136 Ca 0.31 -0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1knz s ILE 136 Cb 0.09 -0.90 -0.03 0.00 -1.58 0.00 0.00 42.46 40.03 1knz s ILE 136 CO 0.16 0.32 0.01 -0.63 -1.23 0.00 0.00 174.94 173.57 1knz s ILE 137 N 0.79 4.34 -0.00 2.92 1.01 -1.26 0.37 121.20 129.36 1knz s ILE 137 Ca -0.13 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1knz s ILE 137 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1knz s ILE 137 CO 0.02 0.48 -0.18 -0.54 0.00 0.00 0.00 174.94 174.72 1knz s LYS 138 N 0.37 2.23 0.10 2.79 3.01 0.16 -4.97 119.74 123.43 1knz s LYS 138 Ca -0.01 -0.87 -0.03 0.00 -1.01 0.00 0.00 55.97 54.06 1knz s LYS 138 Cb -0.13 -2.23 0.01 0.00 -1.01 0.00 0.00 37.83 34.47 1knz s LYS 138 CO 0.02 0.57 0.18 0.00 0.51 0.00 0.00 175.35 176.63 1knz s THR 140 N -2.69 5.02 0.42 0.00 -4.23 -1.26 -4.90 115.64 107.99 1knz s THR 140 Ca 0.05 0.31 0.18 0.00 -1.18 0.00 0.00 61.69 61.05 1knz s THR 140 Cb -0.01 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.59 1knz s THR 140 CO 0.04 -0.03 1.87 0.07 -0.54 0.00 0.00 174.62 176.03 1knz h LYS 141 N 2.65 0.39 -0.37 3.99 -0.00 -2.02 0.42 116.57 121.63 1knz h LYS 141 Ca -0.46 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1knz h LYS 141 Cb 1.17 -0.09 -0.02 0.00 -0.00 0.00 0.00 32.23 33.29 1knz h LYS 141 CO 0.70 0.26 0.21 1.37 -0.00 0.00 0.00 179.45 181.99 1knz h LEU 142 N 0.40 0.45 -0.07 7.07 8.10 -1.99 0.14 115.31 129.41 1knz h LEU 142 Ca 0.45 -0.07 -0.03 0.00 0.11 0.00 0.00 57.88 58.35 1knz h LEU 142 Cb 1.13 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 41.24 1knz h LEU 142 CO -0.16 0.39 -0.06 -0.03 -4.11 0.00 0.00 178.44 174.46 1knz h MET 143 N 0.48 0.16 -0.11 0.17 1.85 -0.98 -1.32 114.93 115.18 1knz h MET 143 Ca 0.13 -0.08 0.04 0.00 -0.61 0.00 0.00 59.70 59.18 1knz h MET 143 Cb 0.03 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.00 1knz h MET 143 CO -0.02 0.60 -0.33 0.00 -0.40 0.00 0.00 176.91 176.75 1knz h ARG 144 N -0.27 -0.41 -0.48 0.39 2.47 -0.15 0.64 114.38 116.58 1knz h ARG 144 Ca 0.01 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1knz h ARG 144 Cb 0.57 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1knz h ARG 144 CO 0.02 -0.27 0.19 0.38 0.56 0.00 0.00 179.97 180.84 1knz h ASP 145 N -0.42 0.61 -0.49 7.04 -0.00 -0.78 0.26 116.42 122.64 1knz h ASP 145 Ca 0.09 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.03 56.95 1knz h ASP 145 Cb 0.56 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.72 1knz h ASP 145 CO -0.34 0.56 -0.07 0.07 -0.00 0.00 0.00 179.24 179.45 1knz h LYS 146 N 0.67 0.92 -0.29 4.15 2.10 0.03 -3.05 116.57 121.11 1knz h LYS 146 Ca 0.16 -0.33 -0.12 0.00 -2.00 0.00 0.00 60.65 58.36 1knz h LYS 146 Cb 0.14 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1knz h LYS 146 CO -0.02 0.98 -0.30 -0.07 -2.00 0.00 0.00 179.45 178.05 1knz h LEU 147 N 0.77 0.76 -3.24 7.07 -0.00 0.84 -3.00 115.31 118.52 1knz h LEU 147 Ca 0.13 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1knz h LEU 147 Cb 0.62 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1knz h LEU 147 CO 0.04 1.08 0.00 -0.62 -0.00 0.00 0.00 178.44 178.94 1knz n GLU 148 N -4.25 0.70 0.00 1.13 4.71 0.87 -1.63 120.64 122.17 1knz n GLU 148 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 1knz n GLU 148 Cb 0.48 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1knz n GLU 148 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1knz n ARG 149 N 1.61 0.00 -1.48 3.49 -4.01 -1.14 -4.96 116.66 110.17 1knz n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1knz n ARG 149 Cb 0.35 -0.30 0.00 0.00 -3.04 0.00 0.00 32.46 29.47 1knz n ARG 149 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1knz n GLY 150 N 0.18 0.28 3.30 2.89 0.00 -0.65 -5.13 105.19 106.07 1knz n GLY 150 Ca 0.00 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1knz n GLY 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1knz n GLU 151 N 0.00 -0.17 -3.75 1.61 -0.00 -1.26 -4.36 120.64 112.71 1knz n GLU 151 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.16 57.02 1knz n GLU 151 Cb 0.00 -1.61 -0.12 0.00 -0.00 0.00 0.00 31.44 29.71 1knz n GLU 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1knz s VAL 152 N -2.25 -0.02 -0.01 3.84 1.01 -1.26 -4.87 120.40 116.84 1knz s VAL 152 Ca 0.53 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1knz s VAL 152 Cb -0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1knz s VAL 152 CO 0.71 0.03 0.32 -1.83 0.00 0.00 0.00 175.10 174.33 1knz s GLU 153 N 0.81 3.71 -0.08 2.72 1.03 -1.26 -5.02 118.70 120.61 1knz s GLU 153 Ca -0.06 0.15 0.11 0.00 0.03 0.00 0.00 54.97 55.20 1knz s GLU 153 Cb -0.07 -3.14 -0.16 0.00 -0.80 0.00 0.00 34.13 29.96 1knz s GLU 153 CO -0.05 0.68 0.12 0.28 -1.33 0.00 0.00 175.26 174.96 1knz n VAL 154 N 1.53 0.51 -1.20 1.83 0.31 -1.26 -5.11 118.33 114.94 1knz n VAL 154 Ca -0.14 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1knz n VAL 154 Cb 0.53 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1knz n VAL 154 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1knz n ASP 155 N -2.25 -4.07 0.15 4.52 8.00 -1.26 -4.41 116.55 117.24 1knz n ASP 155 Ca -0.13 0.47 0.09 0.00 0.71 0.00 0.00 54.79 55.93 1knz n ASP 155 Cb 0.68 -2.17 0.47 0.00 -0.02 0.00 0.00 41.12 40.07 1knz n ASP 155 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1knz n ASP 156 N 0.53 0.44 -0.02 -2.24 8.00 -1.26 -1.88 116.55 120.12 1knz n ASP 156 Ca 0.00 0.67 -0.13 0.00 0.71 0.00 0.00 54.79 56.04 1knz n ASP 156 Cb 0.00 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.31 1knz n ASP 156 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1knz h SER 157 N 0.00 0.06 0.18 -2.24 0.02 -2.00 -2.82 113.55 106.75 1knz h SER 157 Ca 0.00 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1knz h SER 157 Cb 0.21 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1knz h SER 157 CO 0.00 0.57 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.71 1knz h PHE 158 N -0.44 -0.77 -0.52 3.45 -1.00 -1.58 0.08 116.94 116.16 1knz h PHE 158 Ca 0.00 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1knz h PHE 158 Cb 0.55 0.32 -0.11 0.00 3.61 0.00 0.00 35.95 40.32 1knz h PHE 158 CO 0.10 -0.40 -0.31 0.28 -1.61 0.00 0.00 178.31 176.37 1knz h VAL 159 N -0.54 0.21 -0.78 -0.55 2.07 -1.64 0.33 116.25 115.35 1knz h VAL 159 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1knz h VAL 159 Cb 0.54 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1knz h VAL 159 CO -0.13 0.00 0.51 0.44 0.02 0.00 0.00 177.57 178.41 1knz h ASP 160 N -0.18 0.69 0.02 0.57 3.32 -1.20 0.44 116.42 120.08 1knz h ASP 160 Ca 0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1knz h ASP 160 Cb 0.54 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1knz h ASP 160 CO -0.62 0.43 0.00 -0.33 -1.72 0.00 0.00 179.24 176.99 1knz h GLU 161 N 0.77 0.00 -0.42 3.56 3.07 0.17 -1.41 114.58 120.32 1knz h GLU 161 Ca 0.35 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.89 1knz h GLU 161 Cb 0.35 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.98 1knz h GLU 161 CO -0.13 0.00 -0.75 0.36 -1.40 0.00 0.00 179.01 177.09 1knz n LYS 162 N -2.31 2.55 -0.78 2.33 -0.00 0.15 -5.09 118.16 115.02 1knz n LYS 162 Ca -0.01 -3.69 0.00 0.00 -0.00 0.00 0.00 58.31 54.61 1knz n LYS 162 Cb 0.04 -1.86 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 1knz n LYS 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28