#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 0.99 0.00 -2.82 4.15 -1.92 0.52 115.11 116.03 1knz h GLN 8 Ca 0.00 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.19 1knz h GLN 8 Cb 0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1knz h GLN 8 CO 0.00 0.73 -0.58 0.37 -1.93 0.00 0.00 178.83 177.43 1knz h GLN 9 N 0.99 0.00 -0.08 1.69 5.75 -1.98 -1.18 115.11 120.30 1knz h GLN 9 Ca 0.25 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.58 1knz h GLN 9 Cb 0.04 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.60 1knz h GLN 9 CO -0.04 0.58 -0.63 0.52 -2.65 0.00 0.00 178.83 176.60 1knz h MET 10 N 0.00 0.57 -0.47 1.69 2.86 -1.54 -1.33 114.93 116.71 1knz h MET 10 Ca -0.01 -0.51 0.03 0.00 -2.06 0.00 0.00 59.70 57.15 1knz h MET 10 Cb 1.09 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 1knz h MET 10 CO 0.07 1.13 0.27 0.00 1.06 0.00 0.00 176.91 179.44 1knz h ALA 11 N 0.45 0.60 -0.51 6.32 0.00 0.12 0.30 119.26 126.54 1knz h ALA 11 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1knz h ALA 11 Cb 1.29 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1knz h ALA 11 CO 0.13 -0.06 0.25 0.28 0.00 0.00 0.00 179.25 179.85 1knz h VAL 12 N 0.53 0.94 -0.17 0.00 2.07 -1.17 -0.59 116.25 117.86 1knz h VAL 12 Ca 0.19 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1knz h VAL 12 Cb 0.05 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1knz h VAL 12 CO -0.11 0.09 -0.00 -1.28 0.02 0.00 0.00 177.57 176.29 1knz h SER 13 N 0.49 -0.07 -0.81 0.57 0.87 -0.10 -1.36 113.55 113.14 1knz h SER 13 Ca 0.23 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1knz h SER 13 Cb 0.15 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1knz h SER 13 CO -0.17 -0.01 0.53 0.40 -0.53 0.00 0.00 176.83 177.05 1knz h ILE 14 N 0.05 1.18 -0.81 2.23 2.04 0.04 0.35 117.51 122.59 1knz h ILE 14 Ca 0.08 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1knz h ILE 14 Cb 0.10 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1knz h ILE 14 CO -0.14 0.19 0.45 0.40 0.00 0.00 0.00 178.15 179.05 1knz h ILE 15 N 1.07 1.24 -0.26 -0.67 2.04 -0.71 -0.92 117.51 119.30 1knz h ILE 15 Ca 0.31 -0.60 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 1knz h ILE 15 Cb -0.08 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1knz h ILE 15 CO -0.08 0.27 -0.52 0.78 0.00 0.00 0.00 178.15 178.60 1knz h ASN 16 N 1.13 0.83 -0.05 1.72 4.21 -0.70 -2.57 115.58 120.14 1knz h ASN 16 Ca 0.29 -0.43 -0.03 0.00 1.21 0.00 0.00 56.30 57.34 1knz h ASN 16 Cb 0.03 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 1knz h ASN 16 CO -0.05 1.20 -0.03 0.28 -1.29 0.00 0.00 177.43 177.54 1knz h SER 17 N 0.59 0.21 -0.52 5.81 0.02 -0.58 -1.20 113.55 117.88 1knz h SER 17 Ca 0.02 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1knz h SER 17 Cb 1.10 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1knz h SER 17 CO 0.11 0.28 0.08 -1.28 -1.14 0.00 0.00 176.83 174.88 1knz h SER 18 N 0.22 0.83 -0.48 3.07 0.87 -0.88 -1.38 113.55 115.81 1knz h SER 18 Ca 0.05 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1knz h SER 18 Cb 0.21 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1knz h SER 18 CO 0.01 0.88 0.19 0.15 -0.53 0.00 0.00 176.83 177.53 1knz h PHE 19 N 0.74 0.73 -0.87 2.24 3.57 -0.94 -1.51 116.94 120.91 1knz h PHE 19 Ca 0.16 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1knz h PHE 19 Cb 0.40 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1knz h PHE 19 CO 0.03 0.61 0.57 0.93 -2.23 0.00 0.00 178.31 178.22 1knz h GLU 20 N 0.63 0.98 -0.43 1.11 5.08 -0.97 -1.35 114.58 119.63 1knz h GLU 20 Ca 0.16 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1knz h GLU 20 Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1knz h GLU 20 CO -0.01 0.65 -0.29 0.00 -1.00 0.00 0.00 179.01 178.36 1knz h ALA 21 N 1.52 0.67 -0.61 3.43 0.00 -0.80 -1.00 119.26 122.46 1knz h ALA 21 Ca 0.37 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1knz h ALA 21 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1knz h ALA 21 CO -0.13 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.89 1knz h ALA 22 N 0.86 1.03 -0.12 0.00 0.00 -0.65 0.04 119.26 120.42 1knz h ALA 22 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1knz h ALA 22 Cb 0.87 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1knz h ALA 22 CO 0.08 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.18 1knz h VAL 23 N 0.93 1.31 -0.09 0.00 2.07 -1.07 -1.70 116.25 117.71 1knz h VAL 23 Ca 0.19 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1knz h VAL 23 Cb 0.41 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1knz h VAL 23 CO 0.01 0.31 -0.18 0.58 0.02 0.00 0.00 177.57 178.31 1knz h VAL 24 N -0.10 1.18 -0.16 2.57 2.07 -1.03 0.09 116.25 120.87 1knz h VAL 24 Ca 0.03 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1knz h VAL 24 Cb 0.50 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1knz h VAL 24 CO 0.02 0.24 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 1knz h ALA 25 N 1.69 0.23 0.14 1.67 0.00 -0.87 -0.05 119.26 122.08 1knz h ALA 25 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1knz h ALA 25 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1knz h ALA 25 CO 0.03 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.35 1knz h ALA 26 N 0.60 -0.19 -0.57 0.00 0.00 -1.02 -0.47 119.26 117.61 1knz h ALA 26 Ca 0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1knz h ALA 26 Cb 0.72 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1knz h ALA 26 CO 0.04 -0.43 0.33 0.00 0.00 0.00 0.00 179.25 179.19 1knz h THR 27 N -0.54 1.02 0.00 0.00 1.03 -1.06 -0.44 112.91 112.93 1knz h THR 27 Ca -0.02 -0.22 -0.06 0.00 -0.01 0.00 0.00 66.41 66.10 1knz h THR 27 Cb 0.42 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 67.82 1knz h THR 27 CO 0.03 0.12 -0.31 0.77 -0.01 0.00 0.00 175.52 176.12 1knz h SER 28 N 0.64 0.00 -0.10 0.00 4.64 -1.01 -2.84 113.55 114.88 1knz h SER 28 Ca 0.24 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.34 1knz h SER 28 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1knz h SER 28 CO -0.13 0.31 -0.76 0.00 -0.87 0.00 0.00 176.83 175.39 1knz h ALA 29 N 1.69 0.36 0.13 5.18 0.00 -0.13 -2.28 119.26 124.21 1knz h ALA 29 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1knz h ALA 29 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1knz h ALA 29 CO 0.04 0.69 -0.06 -0.07 0.00 0.00 0.00 179.25 179.85 1knz h LEU 30 N 0.52 -0.15 -0.50 0.00 -0.00 -1.01 -3.00 115.31 111.17 1knz h LEU 30 Ca -0.05 -0.11 0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1knz h LEU 30 Cb 1.38 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 42.03 1knz h LEU 30 CO 0.15 0.02 0.23 -0.08 -0.00 0.00 0.00 178.44 178.77 1knz h GLU 31 N -0.31 0.44 0.00 1.13 4.81 -1.55 -1.15 114.58 117.95 1knz h GLU 31 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1knz h GLU 31 Cb 0.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1knz h GLU 31 CO 0.03 0.29 0.00 -0.97 -0.73 0.00 0.00 179.01 177.63 1knz h ASN 32 N 0.46 0.00 -0.54 1.04 -1.24 -1.38 -0.12 115.58 113.80 1knz h ASN 32 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1knz h ASN 32 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1knz h ASN 32 CO -0.18 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.19 1knz n MET 33 N -2.67 2.78 -2.06 6.67 2.81 -0.54 -4.97 117.12 119.14 1knz n MET 33 Ca -0.01 -2.36 -0.12 0.00 -1.81 0.00 0.00 57.70 53.40 1knz n MET 33 Cb 0.10 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 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 1.10 0.14 3.53 3.03 0.00 -0.06 -5.01 105.19 107.92 1knz n GLY 34 Ca 0.18 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.56 4.43 0.70 -0.61 1.01 -0.60 -5.02 121.20 118.55 1knz s ILE 35 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 1knz s ILE 35 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1knz s ILE 35 CO 0.00 0.41 1.13 -1.83 0.00 0.00 0.00 174.94 174.65 1knz s GLU 36 N 0.90 2.51 -0.19 2.79 4.04 -1.26 -4.07 118.70 123.42 1knz s GLU 36 Ca 0.03 1.46 -0.31 0.00 0.04 0.00 0.00 54.97 56.18 1knz s GLU 36 Cb -0.14 -1.91 0.15 0.00 0.02 0.00 0.00 34.13 32.25 1knz s GLU 36 CO 0.02 -1.49 1.16 1.52 -1.84 0.00 0.00 175.26 174.63 1knz s TYR 37 N -2.33 -0.20 -0.22 4.83 -0.85 -1.26 -5.04 117.35 112.28 1knz s TYR 37 Ca 0.68 0.28 -0.08 0.00 -0.52 0.00 0.00 57.07 57.42 1knz s TYR 37 Cb -0.22 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1knz s TYR 37 CO 0.45 -0.23 0.10 0.34 -1.52 0.00 0.00 175.55 174.69 1knz s ASP 38 N -1.48 5.65 0.20 -0.18 -1.08 -1.26 -5.00 116.67 113.52 1knz s ASP 38 Ca 0.05 0.01 -0.19 0.00 -0.52 0.00 0.00 52.55 51.90 1knz s ASP 38 Cb -0.01 -2.00 0.18 0.00 -1.46 0.00 0.00 42.92 39.63 1knz s ASP 38 CO -0.04 0.08 1.58 0.22 0.52 0.00 0.00 175.17 177.53 1knz h TYR 39 N 7.42 -0.91 -0.70 -5.34 3.20 -2.00 0.64 116.97 119.28 1knz h TYR 39 Ca -0.37 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.65 1knz h TYR 39 Cb 1.17 0.51 -0.06 0.00 1.54 0.00 0.00 36.73 39.89 1knz h TYR 39 CO 0.63 -0.38 0.38 1.96 -1.64 0.00 0.00 178.16 179.11 1knz h GLN 40 N -0.10 0.65 0.58 1.82 1.08 -1.98 0.18 115.11 117.33 1knz h GLN 40 Ca 0.28 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1knz h GLN 40 Cb 0.57 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1knz h GLN 40 CO -0.77 0.43 -0.42 0.22 -0.95 0.00 0.00 178.83 177.34 1knz h ASP 41 N 0.67 -1.08 -0.48 1.46 3.58 -1.32 -0.53 116.42 118.73 1knz h ASP 41 Ca 0.33 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.83 1knz h ASP 41 Cb 0.26 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 1knz h ASP 41 CO -0.22 -0.62 0.25 0.40 -2.88 0.00 0.00 179.24 176.18 1knz h ILE 42 N -0.96 1.17 -0.48 2.25 2.04 -1.10 -1.58 117.51 118.85 1knz h ILE 42 Ca -0.07 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1knz h ILE 42 Cb 0.80 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1knz h ILE 42 CO 0.03 0.19 0.23 0.22 0.00 0.00 0.00 178.15 178.82 1knz h TYR 43 N 0.71 0.69 -0.22 1.37 3.20 -0.37 -2.04 116.97 120.31 1knz h TYR 43 Ca 0.18 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1knz h TYR 43 Cb 0.06 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1knz h TYR 43 CO 0.01 0.55 0.04 1.03 -1.64 0.00 0.00 178.16 178.14 1knz h SER 44 N 0.63 0.35 -0.07 -2.11 0.87 -0.59 -1.84 113.55 110.79 1knz h SER 44 Ca 0.16 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1knz h SER 44 Cb 0.12 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1knz h SER 44 CO -0.02 0.52 -0.06 0.03 -0.53 0.00 0.00 176.83 176.77 1knz h ARG 45 N 0.17 -0.07 -0.34 2.24 3.08 -1.16 -1.41 114.38 116.89 1knz h ARG 45 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1knz h ARG 45 Cb 0.32 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1knz h ARG 45 CO 0.00 -0.05 0.09 0.28 -1.07 0.00 0.00 179.97 179.23 1knz h VAL 46 N -0.07 1.15 -0.25 2.04 2.07 -1.36 -2.50 116.25 117.33 1knz h VAL 46 Ca 0.05 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 1knz h VAL 46 Cb 0.14 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1knz h VAL 46 CO -0.12 0.19 -0.45 0.50 0.02 0.00 0.00 177.57 177.71 1knz h LYS 47 N 0.48 0.64 -0.19 1.57 3.11 -0.78 0.12 116.57 121.53 1knz h LYS 47 Ca 0.12 -0.35 -0.06 0.00 -2.81 0.00 0.00 60.65 57.54 1knz h LYS 47 Cb 0.17 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1knz h LYS 47 CO -0.01 0.96 -0.12 -0.91 -2.81 0.00 0.00 179.45 176.57 1knz h ASN 48 N 0.51 0.43 -0.30 4.20 2.35 -1.02 -0.74 115.58 121.01 1knz h ASN 48 Ca 0.03 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1knz h ASN 48 Cb 0.99 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1knz h ASN 48 CO 0.09 0.77 0.12 0.50 -1.65 0.00 0.00 177.43 177.26 1knz h LYS 49 N 0.09 0.44 0.05 0.81 1.63 -1.40 0.10 116.57 118.30 1knz h LYS 49 Ca 0.04 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1knz h LYS 49 Cb 0.62 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1knz h LYS 49 CO 0.03 0.45 -0.03 0.35 -3.45 0.00 0.00 179.45 176.81 1knz h PHE 50 N 0.33 -0.07 -0.82 1.91 3.57 -0.76 0.19 116.94 121.31 1knz h PHE 50 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1knz h PHE 50 Cb 0.17 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1knz h PHE 50 CO -0.01 0.14 0.47 -0.44 -2.23 0.00 0.00 178.31 176.24 1knz h ASP 51 N -0.27 0.99 -0.20 0.41 3.45 -1.09 0.90 116.42 120.61 1knz h ASP 51 Ca -0.01 -0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.30 1knz h ASP 51 Cb 0.24 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1knz h ASP 51 CO 0.01 0.78 -0.22 0.15 -1.57 0.00 0.00 179.24 178.39 1knz h PHE 52 N 1.13 0.60 -0.12 4.55 3.57 -0.64 -2.16 116.94 123.86 1knz h PHE 52 Ca 0.29 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1knz h PHE 52 Cb -0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1knz h PHE 52 CO 0.01 0.87 0.04 0.28 -2.23 0.00 0.00 178.31 177.27 1knz h VAL 53 N 0.17 1.18 -0.34 1.41 2.07 -0.35 0.38 116.25 120.76 1knz h VAL 53 Ca 0.03 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1knz h VAL 53 Cb 0.77 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1knz h VAL 53 CO 0.05 0.16 -0.04 0.24 0.02 0.00 0.00 177.57 178.00 1knz h MET 54 N 0.02 0.55 0.00 1.57 2.86 -0.88 -1.43 114.93 117.62 1knz h MET 54 Ca 0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1knz h MET 54 Cb 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1knz h MET 54 CO -0.00 0.60 -0.02 0.22 1.06 0.00 0.00 176.91 178.78 1knz h ASP 55 N 0.52 0.00 0.04 1.22 3.58 -1.27 -1.28 116.42 119.22 1knz h ASP 55 Ca 0.11 -0.87 -0.04 0.00 0.42 0.00 0.00 57.03 56.65 1knz h ASP 55 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1knz h ASP 55 CO 0.02 0.94 -0.12 -0.78 -2.88 0.00 0.00 179.24 176.42 1knz h ASP 56 N -1.00 0.17 1.55 2.28 1.82 -0.27 -2.50 116.42 118.47 1knz h ASP 56 Ca -0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1knz h ASP 56 Cb 0.88 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1knz h ASP 56 CO -0.00 0.31 0.00 0.77 -1.61 0.00 0.00 179.24 178.71 1knz h SER 57 N 0.18 0.00 0.00 2.28 4.64 -1.40 -3.46 113.55 115.79 1knz h SER 57 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1knz h SER 57 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1knz h SER 57 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1knz n GLY 58 N 0.64 1.28 0.24 -0.77 0.00 -0.94 -4.89 105.19 100.74 1knz n GLY 58 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 1.24 -0.56 1.61 2.07 -1.81 -2.59 116.25 116.21 1knz h VAL 59 Ca 0.00 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1knz h VAL 59 Cb 0.00 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1knz h VAL 59 CO 0.00 0.35 0.36 0.50 0.02 0.00 0.00 177.57 178.80 1knz h LYS 60 N 0.39 0.70 0.00 1.57 3.64 -1.56 -2.10 116.57 119.21 1knz h LYS 60 Ca 0.07 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1knz h LYS 60 Cb 0.56 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1knz h LYS 60 CO 0.04 0.46 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.55 1knz h ASN 61 N 0.72 0.00 0.49 4.20 2.35 -1.77 -2.68 115.58 118.90 1knz h ASN 61 Ca 0.22 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1knz h ASN 61 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1knz h ASN 61 CO -0.07 0.22 -0.23 -1.13 -1.65 0.00 0.00 177.43 174.57 1knz h ASN 62 N 0.00 -0.55 -0.29 5.81 -0.73 -0.99 -0.59 115.58 118.24 1knz h ASN 62 Ca -0.00 -0.04 -0.18 0.00 1.87 0.00 0.00 56.30 57.95 1knz h ASN 62 Cb 0.40 0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 1knz h ASN 62 CO 0.03 -0.30 -0.51 -0.65 -0.37 0.00 0.00 177.43 175.63 1knz h PRO 63 N -0.79 0.87 -0.29 6.67 0.11 -1.52 0.62 132.00 137.68 1knz h PRO 63 Ca -0.07 -0.53 -0.08 0.00 0.11 0.00 0.00 66.00 65.43 1knz h PRO 63 Cb 0.56 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1knz h PRO 63 CO 0.11 1.17 -0.15 0.82 -0.21 0.00 0.00 178.00 179.74 1knz h ILE 64 N 0.68 1.24 -0.29 4.15 2.04 -1.57 0.35 117.51 124.11 1knz h ILE 64 Ca 0.02 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1knz h ILE 64 Cb 1.12 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1knz h ILE 64 CO 0.12 0.35 -0.12 1.23 0.00 0.00 0.00 178.15 179.73 1knz h GLY 65 N 0.95 0.64 1.16 5.37 0.00 -0.90 -1.94 103.07 108.34 1knz h GLY 65 Ca 0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1knz h GLY 65 CO 0.03 0.51 -0.07 0.50 0.00 0.00 0.00 176.54 177.51 1knz h LYS 66 N 0.34 0.99 -0.88 4.80 1.57 -0.41 -2.07 116.57 120.91 1knz h LYS 66 Ca 0.07 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1knz h LYS 66 Cb 0.62 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1knz h LYS 66 CO 0.04 1.02 0.50 0.00 -0.57 0.00 0.00 179.45 180.43 1knz h ALA 67 N 1.01 1.22 -0.26 3.86 0.00 -0.24 -1.53 119.26 123.33 1knz h ALA 67 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1knz h ALA 67 Cb 0.62 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1knz h ALA 67 CO 0.04 0.64 -0.11 0.82 0.00 0.00 0.00 179.25 180.65 1knz h ILE 68 N 1.22 1.21 0.00 0.00 2.04 -0.95 -1.64 117.51 119.39 1knz h ILE 68 Ca 0.31 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 1knz h ILE 68 Cb 0.00 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1knz h ILE 68 CO -0.05 0.30 -0.74 0.71 0.00 0.00 0.00 178.15 178.37 1knz h THR 69 N 0.40 1.37 0.16 -0.27 1.35 -0.60 -2.36 112.91 112.95 1knz h THR 69 Ca 0.08 -2.67 -0.01 0.00 -0.55 0.00 0.00 66.41 63.26 1knz h THR 69 Cb 0.43 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1knz h THR 69 CO 0.02 0.72 -0.08 0.40 -0.25 0.00 0.00 175.52 176.34 1knz h ILE 70 N 0.00 0.91 -0.77 6.82 2.04 -0.97 -1.37 117.51 124.17 1knz h ILE 70 Ca -0.01 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.73 1knz h ILE 70 Cb 1.44 1.09 -0.11 0.00 -0.74 0.00 0.00 36.82 38.50 1knz h ILE 70 CO 0.10 0.07 0.22 0.44 0.00 0.00 0.00 178.15 178.97 1knz h ASP 71 N -0.36 0.07 0.04 1.72 3.32 -1.22 0.18 116.42 120.18 1knz h ASP 71 Ca -0.02 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1knz h ASP 71 Cb 0.28 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1knz h ASP 71 CO 0.04 -0.03 -0.04 1.56 -1.72 0.00 0.00 179.24 179.05 1knz h GLN 72 N 0.30 -0.09 -0.05 3.56 4.20 -1.25 -1.19 115.11 120.59 1knz h GLN 72 Ca 0.44 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.17 1knz h GLN 72 Cb 0.76 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1knz h GLN 72 CO -0.51 -0.06 0.08 0.00 -0.67 0.00 0.00 178.83 177.67 1knz h ALA 73 N 0.87 1.50 0.00 3.87 0.00 0.40 0.52 119.26 126.42 1knz h ALA 73 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1knz h ALA 73 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1knz h ALA 73 CO -0.01 -0.10 -0.36 -0.07 0.00 0.00 0.00 179.25 178.71 1knz h LEU 74 N 0.00 0.00 -3.17 0.00 3.38 0.25 -3.00 115.31 112.77 1knz h LEU 74 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1knz h LEU 74 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1knz h LEU 74 CO -0.00 0.36 0.04 -3.20 0.09 0.00 0.00 178.44 175.73 1knz n ASN 75 N -3.20 4.85 -1.15 -0.43 2.85 0.17 -4.91 115.26 113.44 1knz n ASN 75 Ca 0.02 -2.82 -0.12 0.00 -0.11 0.00 0.00 54.58 51.56 1knz n ASN 75 Cb 0.66 -0.67 -0.02 0.00 1.24 0.00 0.00 39.78 40.99 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 0.41 -3.99 -3.97 1.20 3.02 -0.94 -4.98 115.26 106.01 1knz n ASN 76 Ca 0.25 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.60 1knz n ASN 76 Cb 1.08 -2.94 -0.10 0.00 -0.61 0.00 0.00 39.78 37.21 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 -3.96 2.76 0.00 3.52 1.02 -0.42 -4.92 119.74 117.75 1knz s LYS 77 Ca 0.00 -3.35 0.25 0.00 0.02 0.00 0.00 55.97 52.90 1knz s LYS 77 Cb 0.00 -3.61 1.37 0.00 -0.52 0.00 0.00 37.83 35.07 1knz s LYS 77 CO 0.00 -1.28 1.86 1.19 -0.92 0.00 0.00 175.35 176.20 1knz n PHE 78 N 2.06 0.00 -0.36 3.18 3.01 -1.26 -3.01 117.46 121.08 1knz n PHE 78 Ca 0.21 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.62 1knz n PHE 78 Cb 0.36 -0.17 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 1knz n PHE 78 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1knz h GLY 79 N 4.09 -0.25 0.99 1.37 0.00 -1.95 0.83 103.07 108.15 1knz h GLY 79 Ca 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 47.33 47.85 1knz h GLY 79 CO 0.00 -0.13 -0.04 0.23 0.00 0.00 0.00 176.54 176.60 1knz h SER 80 N -0.04 0.81 -0.47 0.19 0.87 -1.91 0.08 113.55 113.08 1knz h SER 80 Ca 0.27 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1knz h SER 80 Cb 0.54 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1knz h SER 80 CO -0.92 0.95 0.15 0.00 -0.53 0.00 0.00 176.83 176.48 1knz h ALA 81 N 0.90 1.28 -0.66 6.23 0.00 -1.39 0.28 119.26 125.90 1knz h ALA 81 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1knz h ALA 81 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1knz h ALA 81 CO 0.03 0.51 0.08 0.82 0.00 0.00 0.00 179.25 180.69 1knz h ILE 82 N 0.77 1.26 -0.44 0.00 2.04 0.91 -1.67 117.51 120.38 1knz h ILE 82 Ca 0.17 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1knz h ILE 82 Cb 0.25 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1knz h ILE 82 CO -0.01 0.40 -0.01 -0.09 0.00 0.00 0.00 178.15 178.44 1knz h ARG 83 N 1.02 0.73 -0.62 2.37 2.43 0.44 -1.83 114.38 118.92 1knz h ARG 83 Ca 0.20 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1knz h ARG 83 Cb 0.47 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1knz h ARG 83 CO 0.02 0.75 0.19 -0.97 -1.51 0.00 0.00 179.97 178.45 1knz h ASN 84 N 0.68 0.92 -0.47 -3.80 -1.24 0.13 -1.21 115.58 110.59 1knz h ASN 84 Ca 0.13 -0.21 -0.12 0.00 0.71 0.00 0.00 56.30 56.81 1knz h ASN 84 Cb 0.44 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1knz h ASN 84 CO 0.02 0.89 -0.18 -0.09 -1.29 0.00 0.00 177.43 176.78 1knz h ARG 85 N 0.90 0.95 -0.51 6.67 2.43 -1.05 -2.46 114.38 121.31 1knz h ARG 85 Ca 0.20 -0.39 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1knz h ARG 85 Cb 0.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1knz h ARG 85 CO -0.00 1.06 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.57 1knz h ASN 86 N 0.80 0.87 0.34 -3.80 2.35 -1.20 -1.31 115.58 113.62 1knz h ASN 86 Ca 0.11 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1knz h ASN 86 Cb 0.75 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1knz h ASN 86 CO 0.06 0.95 -0.16 -0.25 -1.65 0.00 0.00 177.43 176.37 1knz h TRP 87 N 0.82 -0.42 0.00 1.19 7.01 -1.12 -0.44 115.95 122.99 1knz h TRP 87 Ca 0.15 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1knz h TRP 87 Cb 0.53 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1knz h TRP 87 CO 0.03 -0.20 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.33 1knz h LEU 88 N -0.55 0.00 0.00 0.65 3.38 -1.39 -2.63 115.31 114.76 1knz h LEU 88 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1knz h LEU 88 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1knz h LEU 88 CO 0.08 0.08 -0.61 0.00 0.09 0.00 0.00 178.44 178.08 1knz h ALA 89 N 1.92 0.64 -1.57 1.53 0.00 -0.92 -3.46 119.26 117.39 1knz h ALA 89 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1knz h ALA 89 Cb 0.17 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.05 1knz h ALA 89 CO 0.01 0.00 0.05 -0.25 0.00 0.00 0.00 179.25 179.06 1knz n ASP 90 N -2.36 0.67 0.23 0.00 10.43 -0.20 -4.80 116.55 120.52 1knz n ASP 90 Ca 0.03 1.15 0.11 0.00 2.57 0.00 0.00 54.79 58.65 1knz n ASP 90 Cb 0.47 -1.15 0.69 0.00 1.84 0.00 0.00 41.12 42.98 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 2.21 0.88 -0.55 -3.53 1.35 -1.91 -2.04 112.91 109.33 1knz h THR 91 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1knz h THR 91 Cb 1.37 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1knz h THR 91 CO 0.65 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.72 1knz n SER 92 N -4.39 3.64 0.11 5.36 7.64 -1.26 -4.62 113.62 120.10 1knz n SER 92 Ca -0.01 -1.99 -0.13 0.00 1.01 0.00 0.00 58.87 57.76 1knz n SER 92 Cb 0.16 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.95 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 4.16 -0.45 -0.66 1.43 9.65 -1.65 -0.19 114.38 126.67 1knz h ARG 93 Ca 0.00 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 1knz h ARG 93 Cb 0.96 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.60 1knz h ARG 93 CO 0.00 -0.30 0.43 -1.35 2.80 0.00 0.00 179.97 181.55 1knz h PRO 94 N -0.47 0.70 -0.28 0.20 0.11 -1.82 -0.41 132.00 130.04 1knz h PRO 94 Ca 0.03 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1knz h PRO 94 Cb 0.50 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1knz h PRO 94 CO -0.16 0.46 -0.06 0.00 -0.21 0.00 0.00 178.00 178.03 1knz h ALA 95 N 1.63 0.38 -0.26 -0.75 0.00 -1.71 -0.50 119.26 118.05 1knz h ALA 95 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1knz h ALA 95 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1knz h ALA 95 CO -0.08 0.19 0.06 0.87 0.00 0.00 0.00 179.25 180.28 1knz h LYS 96 N 0.29 0.42 -0.33 0.00 1.79 -0.41 -1.47 116.57 116.86 1knz h LYS 96 Ca 0.07 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1knz h LYS 96 Cb 0.53 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1knz h LYS 96 CO 0.03 0.52 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.58 1knz h LEU 97 N 0.24 0.68 -0.66 2.94 3.38 -1.11 -1.35 115.31 119.44 1knz h LEU 97 Ca 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1knz h LEU 97 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1knz h LEU 97 CO 0.00 0.92 0.41 0.44 0.09 0.00 0.00 178.44 180.29 1knz h ASP 98 N 0.58 0.78 -0.48 -0.43 3.32 -0.93 0.57 116.42 119.83 1knz h ASP 98 Ca 0.08 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1knz h ASP 98 Cb 0.75 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1knz h ASP 98 CO 0.06 0.60 0.01 -0.33 -1.72 0.00 0.00 179.24 177.86 1knz h GLU 99 N 0.89 0.90 0.58 3.56 5.08 -0.99 0.12 114.58 124.72 1knz h GLU 99 Ca 0.24 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1knz h GLU 99 Cb -0.05 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1knz h GLU 99 CO -0.05 0.88 -0.28 0.22 -1.00 0.00 0.00 179.01 178.79 1knz h ASP 100 N 0.83 -0.66 -0.95 1.42 1.82 -0.42 -2.29 116.42 116.17 1knz h ASP 100 Ca 0.16 -0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.85 1knz h ASP 100 Cb 0.48 0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.59 1knz h ASP 100 CO 0.02 -0.35 0.61 0.58 -1.61 0.00 0.00 179.24 178.49 1knz h VAL 101 N -0.96 1.01 -0.55 2.25 2.07 0.23 -2.39 116.25 117.91 1knz h VAL 101 Ca -0.08 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1knz h VAL 101 Cb 0.65 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1knz h VAL 101 CO 0.13 0.19 0.11 0.78 0.02 0.00 0.00 177.57 178.80 1knz h ASN 102 N 1.02 0.86 -0.39 0.57 4.21 -0.69 -1.82 115.58 119.34 1knz h ASN 102 Ca 0.43 -0.25 0.01 0.00 1.21 0.00 0.00 56.30 57.71 1knz h ASN 102 Cb 0.31 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1knz h ASN 102 CO -0.19 0.89 0.24 0.11 -1.29 0.00 0.00 177.43 177.19 1knz h LYS 103 N 0.80 0.47 -0.37 0.81 1.79 -0.91 -2.16 116.57 117.00 1knz h LYS 103 Ca 0.17 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.51 1knz h LYS 103 Cb 0.38 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1knz h LYS 103 CO 0.01 0.31 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.41 1knz h LEU 104 N 0.49 0.72 -0.92 2.94 3.38 -1.36 -2.93 115.31 117.63 1knz h LEU 104 Ca 0.15 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1knz h LEU 104 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1knz h LEU 104 CO -0.06 0.92 -0.52 0.03 0.09 0.00 0.00 178.44 178.90 1knz h ARG 105 N 0.63 0.04 0.00 1.13 3.08 -1.11 -2.24 114.38 115.91 1knz h ARG 105 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1knz h ARG 105 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1knz h ARG 105 CO 0.05 0.56 -0.01 1.98 -1.07 0.00 0.00 179.97 181.48 1knz h MET 106 N 0.03 0.00 0.00 0.04 4.05 -1.22 -2.74 114.93 115.10 1knz h MET 106 Ca -0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.29 1knz h MET 106 Cb 0.94 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 1knz h MET 106 CO 0.07 0.01 -0.59 0.52 0.23 0.00 0.00 176.91 177.15 1knz h MET 107 N 0.00 0.00 -3.26 0.39 2.86 -1.28 -3.52 114.93 110.11 1knz h MET 107 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1knz h MET 107 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1knz h MET 107 CO 0.00 0.59 0.68 1.28 1.06 0.00 0.00 176.91 180.51 1knz n LEU 108 N -3.41 0.37 0.00 1.22 4.77 -1.04 -5.13 117.00 113.78 1knz n LEU 108 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1knz n LEU 108 Cb 0.70 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1knz n LEU 108 CO 0.41 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1knz n GLY 112 N 3.29 1.08 3.54 -0.72 0.00 -1.26 -5.07 105.19 106.05 1knz n GLY 112 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.18 -0.61 2.08 -1.26 -4.89 119.36 114.86 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 -0.10 -0.08 0.00 -0.75 0.00 0.00 39.64 38.71 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 -0.36 -0.06 4.38 3.32 -2.05 0.91 116.42 122.56 1knz h ASP 114 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1knz h ASP 114 Cb 0.00 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1knz h ASP 114 CO 0.00 -0.13 0.04 1.56 -1.72 0.00 0.00 179.24 178.99 1knz h GLN 115 N -0.58 0.08 -0.80 3.56 1.08 -2.00 -1.22 115.11 115.23 1knz h GLN 115 Ca -0.04 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.29 1knz h GLN 115 Cb 0.43 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.75 1knz h GLN 115 CO 0.07 0.06 0.38 1.57 -0.95 0.00 0.00 178.83 179.96 1knz h LYS 116 N 0.08 0.54 -0.16 1.46 5.09 -1.95 -1.63 116.57 120.00 1knz h LYS 116 Ca 0.02 -0.03 -0.15 0.00 0.09 0.00 0.00 60.65 60.58 1knz h LYS 116 Cb -0.00 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 32.20 1knz h LYS 116 CO -0.00 0.36 -0.53 0.52 -2.09 0.00 0.00 179.45 177.71 1knz h MET 117 N 0.56 0.45 -0.02 0.07 2.07 -0.46 -1.82 114.93 115.78 1knz h MET 117 Ca 0.43 -0.27 0.01 0.00 -2.07 0.00 0.00 59.70 57.80 1knz h MET 117 Cb 0.61 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.35 1knz h MET 117 CO -0.36 0.87 -0.04 -0.09 1.07 0.00 0.00 176.91 178.35 1knz h ARG 118 N 0.35 -0.06 -0.24 1.72 2.43 -0.28 0.99 114.38 119.29 1knz h ARG 118 Ca 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1knz h ARG 118 Cb 1.04 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1knz h ARG 118 CO 0.09 -0.04 0.08 0.28 -1.51 0.00 0.00 179.97 178.87 1knz h VAL 119 N -0.06 1.19 -0.49 0.20 2.07 -1.43 -3.03 116.25 114.69 1knz h VAL 119 Ca 0.03 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1knz h VAL 119 Cb 0.10 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1knz h VAL 119 CO -0.06 0.19 -0.08 -0.07 0.02 0.00 0.00 177.57 177.56 1knz h LEU 120 N 0.22 0.92 -2.51 2.57 3.38 -1.06 -2.90 115.31 115.93 1knz h LEU 120 Ca 0.08 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1knz h LEU 120 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1knz h LEU 120 CO -0.00 1.05 -0.01 0.78 0.09 0.00 0.00 178.44 180.35 1knz h ASN 121 N 0.78 0.00 1.42 -0.43 2.35 0.11 -0.42 115.58 119.38 1knz h ASN 121 Ca 0.13 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1knz h ASN 121 Cb 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1knz h ASN 121 CO 0.04 0.01 -0.59 0.00 -1.65 0.00 0.00 177.43 175.24 1knz h ALA 122 N 1.99 0.72 0.00 -0.83 0.00 -1.39 -3.37 119.26 116.39 1knz h ALA 122 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1knz h ALA 122 Cb 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1knz h ALA 122 CO 0.00 0.11 -1.66 0.00 0.00 0.00 0.00 179.25 177.70 1knz s PHE 124 N -2.90 1.15 -0.05 0.00 0.40 -0.24 -4.68 117.98 111.67 1knz s PHE 124 Ca -0.05 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1knz s PHE 124 Cb 0.08 -0.62 -0.00 0.00 0.51 0.00 0.00 43.02 43.00 1knz s PHE 124 CO 0.57 0.04 -0.16 0.45 0.70 0.00 0.00 175.22 176.82 1knz s SER 125 N -2.46 2.07 -0.23 1.36 0.15 -0.67 -4.60 113.70 109.32 1knz s SER 125 Ca 0.06 -0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.29 1knz s SER 125 Cb -0.03 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1knz s SER 125 CO 0.01 0.13 0.10 -0.69 1.20 0.00 0.00 173.24 173.99 1knz s VAL 126 N 0.13 4.79 0.41 4.45 1.01 -1.26 -0.57 120.40 129.35 1knz s VAL 126 Ca -0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1knz s VAL 126 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1knz s VAL 126 CO 0.02 0.36 0.09 -1.59 0.00 0.00 0.00 175.10 173.98 1knz s LYS 127 N 1.17 1.92 -0.05 2.72 -2.85 0.13 -4.97 119.74 117.81 1knz s LYS 127 Ca 0.05 -2.16 -0.03 0.00 -1.00 0.00 0.00 55.97 52.84 1knz s LYS 127 Cb -0.14 -0.85 0.03 0.00 -2.06 0.00 0.00 37.83 34.80 1knz s LYS 127 CO 0.04 -0.38 0.12 0.50 0.10 0.00 0.00 175.35 175.73 1knz s ARG 128 N -3.78 0.08 -0.09 1.78 3.52 -1.26 -0.46 118.95 118.74 1knz s ARG 128 Ca 0.24 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.82 1knz s ARG 128 Cb 0.04 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 1knz s ARG 128 CO 0.13 -0.12 0.97 0.42 -0.81 0.00 0.00 175.30 175.89 1knz s ILE 129 N 0.80 4.82 0.05 4.11 1.01 -1.26 -4.95 121.20 125.79 1knz s ILE 129 Ca -0.06 1.98 -0.37 0.00 0.00 0.00 0.00 60.65 62.19 1knz s ILE 129 Cb -0.08 -4.28 -0.19 0.00 0.01 0.00 0.00 42.46 37.91 1knz s ILE 129 CO -0.04 0.04 0.96 -2.65 0.00 0.00 0.00 174.94 173.26 1knz n PRO 130 N 4.79 0.06 0.00 2.79 -0.02 -1.26 -0.79 135.00 140.57 1knz n PRO 130 Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1knz n PRO 130 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 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 1.65 2.66 3.80 -1.23 0.00 -1.26 -5.02 105.19 105.79 1knz n GLY 131 Ca 0.19 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.91 0.04 1.61 1.02 0.03 -4.66 119.74 121.68 1knz s LYS 132 Ca 0.00 1.34 0.21 0.00 0.02 0.00 0.00 55.97 57.54 1knz s LYS 132 Cb 0.00 -2.16 -0.20 0.00 -0.52 0.00 0.00 37.83 34.95 1knz s LYS 132 CO 0.00 -0.34 0.66 -1.13 -0.92 0.00 0.00 175.35 173.62 1knz n SER 133 N -0.81 0.38 -3.34 2.83 3.41 -1.26 -4.80 113.62 110.04 1knz n SER 133 Ca 0.08 0.15 -0.19 0.00 -0.26 0.00 0.00 58.87 58.66 1knz n SER 133 Cb 0.52 1.16 0.13 0.00 -0.26 0.00 0.00 64.21 65.76 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 -2.53 0.17 -4.49 4.04 3.41 -1.26 -4.71 113.62 108.24 1knz n SER 134 Ca -0.07 -1.38 -0.26 0.00 -0.26 0.00 0.00 58.87 56.91 1knz n SER 134 Cb 0.66 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 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 -4.23 3.18 -0.05 4.04 1.04 -1.26 -4.65 113.70 111.77 1knz s SER 135 Ca 0.50 -1.49 0.03 0.00 0.48 0.00 0.00 55.95 55.47 1knz s SER 135 Cb -0.01 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1knz s SER 135 CO 0.35 -0.68 -0.12 -0.63 0.98 0.00 0.00 173.24 173.15 1knz s ILE 136 N -3.05 1.07 -0.16 -1.02 -1.09 0.40 -4.95 121.20 112.40 1knz s ILE 136 Ca 0.28 -0.47 -0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1knz s ILE 136 Cb 0.07 -0.96 -0.03 0.00 -1.58 0.00 0.00 42.46 39.95 1knz s ILE 136 CO 0.14 0.33 0.01 -0.63 -1.23 0.00 0.00 174.94 173.56 1knz s ILE 137 N 0.48 4.32 -0.03 2.92 1.01 -1.26 0.20 121.20 128.84 1knz s ILE 137 Ca -0.10 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1knz s ILE 137 Cb -0.13 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1knz s ILE 137 CO 0.03 0.50 -0.22 -0.54 0.00 0.00 0.00 174.94 174.70 1knz s LYS 138 N 0.18 2.22 0.06 2.79 3.01 0.26 -4.97 119.74 123.29 1knz s LYS 138 Ca 0.01 -0.87 -0.02 0.00 -1.01 0.00 0.00 55.97 54.09 1knz s LYS 138 Cb -0.13 -2.14 0.01 0.00 -1.01 0.00 0.00 37.83 34.56 1knz s LYS 138 CO 0.02 0.58 0.11 0.00 0.51 0.00 0.00 175.35 176.56 1knz s THR 140 N -2.70 5.05 0.42 0.00 -4.23 -1.26 -4.90 115.64 108.02 1knz s THR 140 Ca 0.04 0.13 0.16 0.00 -1.18 0.00 0.00 61.69 60.83 1knz s THR 140 Cb -0.01 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.52 1knz s THR 140 CO 0.03 -0.16 1.91 0.07 -0.54 0.00 0.00 174.62 175.93 1knz h LYS 141 N 2.20 0.41 -0.16 3.99 -0.00 -2.02 0.43 116.57 121.42 1knz h LYS 141 Ca -0.47 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.15 1knz h LYS 141 Cb 1.18 -0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 33.31 1knz h LYS 141 CO 0.69 0.27 0.08 1.37 -0.00 0.00 0.00 179.45 181.85 1knz h LEU 142 N 0.42 0.21 -0.07 7.07 8.10 -1.98 0.98 115.31 130.04 1knz h LEU 142 Ca 0.39 -0.13 -0.01 0.00 0.11 0.00 0.00 57.88 58.23 1knz h LEU 142 Cb 0.89 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1knz h LEU 142 CO -0.13 0.28 -0.01 -0.03 -4.11 0.00 0.00 178.44 174.44 1knz h MET 143 N 0.13 0.13 -0.28 0.17 1.85 -1.28 -1.01 114.93 114.64 1knz h MET 143 Ca 0.06 -0.05 0.06 0.00 -0.61 0.00 0.00 59.70 59.16 1knz h MET 143 Cb 0.13 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.09 1knz h MET 143 CO -0.01 0.44 -0.11 0.00 -0.40 0.00 0.00 176.91 176.84 1knz h ARG 144 N -0.18 -0.05 -0.23 0.39 2.47 -0.16 0.67 114.38 117.28 1knz h ARG 144 Ca 0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 1knz h ARG 144 Cb 0.39 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1knz h ARG 144 CO 0.01 -0.03 -0.21 0.38 0.56 0.00 0.00 179.97 180.67 1knz h ASP 145 N -0.05 0.41 -0.45 7.04 2.03 -0.82 0.19 116.42 124.76 1knz h ASP 145 Ca 0.14 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 56.21 1knz h ASP 145 Cb 0.27 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.65 1knz h ASP 145 CO -0.32 0.63 -0.14 0.07 -1.03 0.00 0.00 179.24 178.45 1knz h LYS 146 N 0.38 0.88 -0.32 4.15 5.09 0.08 -3.04 116.57 123.78 1knz h LYS 146 Ca 0.06 -0.35 -0.10 0.00 0.09 0.00 0.00 60.65 60.34 1knz h LYS 146 Cb 0.58 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.86 1knz h LYS 146 CO 0.04 1.00 -0.21 -0.07 -2.09 0.00 0.00 179.45 178.12 1knz h LEU 147 N 0.72 0.74 -3.61 7.07 3.38 0.64 -3.02 115.31 121.23 1knz h LEU 147 Ca 0.11 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1knz h LEU 147 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1knz h LEU 147 CO 0.05 1.01 -0.06 -0.62 0.09 0.00 0.00 178.44 178.91 1knz n GLU 148 N -4.31 1.03 0.00 1.13 -0.58 0.62 -1.82 120.64 116.72 1knz n GLU 148 Ca -0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 1knz n GLU 148 Cb 0.42 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1knz n GLU 148 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1knz n ARG 149 N 1.98 0.00 -1.49 3.49 0.00 -1.17 -4.94 116.66 114.53 1knz n ARG 149 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1knz n ARG 149 Cb 0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 32.46 32.81 1knz n ARG 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1knz n GLY 150 N -0.22 0.34 3.31 2.89 0.00 -0.75 -5.13 105.19 105.63 1knz n GLY 150 Ca 0.00 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 1knz n GLY 150 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1knz n GLU 151 N 0.00 0.03 -3.73 1.61 4.07 -1.26 -4.38 120.64 116.99 1knz n GLU 151 Ca 0.00 0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 57.01 1knz n GLU 151 Cb 0.00 -1.52 -0.14 0.00 -0.06 0.00 0.00 31.44 29.72 1knz n GLU 151 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1knz s VAL 152 N -2.07 -0.09 -0.15 6.31 1.01 -1.26 -4.87 120.40 119.27 1knz s VAL 152 Ca 0.56 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1knz s VAL 152 Cb -0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1knz s VAL 152 CO 0.68 0.08 0.60 -1.61 0.00 0.00 0.00 175.10 174.84 1knz s GLU 153 N 1.41 4.29 -0.10 2.72 2.02 -1.26 -5.06 118.70 122.73 1knz s GLU 153 Ca -0.07 0.61 -0.01 0.00 0.02 0.00 0.00 54.97 55.52 1knz s GLU 153 Cb -0.11 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1knz s GLU 153 CO -0.07 -0.06 -0.05 0.08 0.02 0.00 0.00 175.26 175.17 1knz s VAL 154 N 1.31 3.81 0.03 2.63 1.01 -1.26 -5.09 120.40 122.83 1knz s VAL 154 Ca 0.29 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1knz s VAL 154 Cb -0.16 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1knz s VAL 154 CO 0.12 0.57 0.64 1.51 0.00 0.00 0.00 175.10 177.94 1knz s ASP 155 N -0.46 7.06 0.47 3.32 1.47 -1.26 -4.91 116.67 122.36 1knz s ASP 155 Ca 0.07 1.27 0.24 0.00 1.18 0.00 0.00 52.55 55.30 1knz s ASP 155 Cb -0.12 -2.40 1.28 0.00 -0.34 0.00 0.00 42.92 41.35 1knz s ASP 155 CO 0.02 0.11 1.69 0.44 0.68 0.00 0.00 175.17 178.11 1knz h ASP 156 N 5.44 0.00 -0.03 2.11 3.32 -2.00 -0.40 116.42 124.86 1knz h ASP 156 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1knz h ASP 156 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.76 1knz h ASP 156 CO 0.69 0.00 -0.44 0.77 -1.72 0.00 0.00 179.24 178.54 1knz h SER 157 N 0.00 0.43 0.03 6.45 4.64 -1.99 -2.97 113.55 120.15 1knz h SER 157 Ca 0.00 -0.73 -0.00 0.00 -0.47 0.00 0.00 61.79 60.59 1knz h SER 157 Cb 0.44 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1knz h SER 157 CO 0.00 1.10 -0.02 -0.26 -0.87 0.00 0.00 176.83 176.78 1knz h PHE 158 N -0.19 -0.04 -0.34 4.77 -1.00 -1.47 -0.92 116.94 117.75 1knz h PHE 158 Ca -0.05 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.80 1knz h PHE 158 Cb 1.14 0.01 -0.09 0.00 3.61 0.00 0.00 35.95 40.63 1knz h PHE 158 CO 0.15 -0.02 -0.32 0.28 -1.61 0.00 0.00 178.31 176.79 1knz h VAL 159 N -0.05 0.25 -0.64 -0.55 2.07 -1.61 0.26 116.25 115.99 1knz h VAL 159 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1knz h VAL 159 Cb 0.04 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1knz h VAL 159 CO 0.01 0.00 0.43 0.44 0.02 0.00 0.00 177.57 178.47 1knz h ASP 160 N -0.28 0.44 0.11 0.57 3.32 -1.33 0.46 116.42 119.71 1knz h ASP 160 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1knz h ASP 160 Cb 0.53 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1knz h ASP 160 CO -0.50 0.27 0.00 -0.33 -1.72 0.00 0.00 179.24 176.96 1knz h GLU 161 N 0.49 0.00 -0.44 3.56 3.07 0.96 -1.82 114.58 120.40 1knz h GLU 161 Ca 0.30 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.83 1knz h GLU 161 Cb 0.50 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.13 1knz h GLU 161 CO -0.09 0.00 -0.76 1.63 -1.40 0.00 0.00 179.01 178.39 1knz n LYS 162 N -2.45 2.62 -0.79 2.33 5.02 0.16 -5.09 118.16 119.96 1knz n LYS 162 Ca -0.01 -3.72 0.00 0.00 -2.02 0.00 0.00 58.31 52.55 1knz n LYS 162 Cb 0.07 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1knz n LYS 162 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88