#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 0.93 -0.49 -2.82 4.15 -1.91 0.21 115.11 115.18 1knz h GLN 8 Ca 0.00 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.23 1knz h GLN 8 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1knz h GLN 8 CO 0.00 0.67 -0.09 0.37 -1.93 0.00 0.00 178.83 177.85 1knz h GLN 9 N 0.94 0.88 -0.29 1.69 4.15 -1.98 -1.66 115.11 118.84 1knz h GLN 9 Ca 0.24 -0.29 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1knz h GLN 9 Cb -0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1knz h GLN 9 CO -0.04 0.93 -0.36 0.52 -1.93 0.00 0.00 178.83 177.95 1knz h MET 10 N 0.79 0.65 -0.11 1.69 2.86 -1.61 -0.27 114.93 118.94 1knz h MET 10 Ca 0.13 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1knz h MET 10 Cb 0.60 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1knz h MET 10 CO 0.04 0.91 0.05 0.00 1.06 0.00 0.00 176.91 178.97 1knz h ALA 11 N 1.05 0.14 -0.54 6.32 0.00 -0.41 0.31 119.26 126.14 1knz h ALA 11 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1knz h ALA 11 Cb 0.87 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1knz h ALA 11 CO 0.08 -0.28 0.15 0.28 0.00 0.00 0.00 179.25 179.48 1knz h VAL 12 N 0.03 0.74 -0.40 0.00 2.07 -1.15 0.90 116.25 118.43 1knz h VAL 12 Ca 0.04 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1knz h VAL 12 Cb 0.16 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1knz h VAL 12 CO -0.00 0.05 0.22 -1.28 0.02 0.00 0.00 177.57 176.58 1knz h SER 13 N 0.30 0.33 -0.37 0.57 0.87 -0.45 -1.88 113.55 112.93 1knz h SER 13 Ca 0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1knz h SER 13 Cb 0.36 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1knz h SER 13 CO -0.32 0.24 0.23 0.40 -0.53 0.00 0.00 176.83 176.85 1knz h ILE 14 N 0.44 1.11 -0.65 2.23 2.04 0.10 -1.21 117.51 121.57 1knz h ILE 14 Ca 0.17 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1knz h ILE 14 Cb 0.05 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1knz h ILE 14 CO -0.10 0.11 0.39 0.40 0.00 0.00 0.00 178.15 178.95 1knz h ILE 15 N 0.49 1.03 -0.47 -0.67 2.04 -0.61 -1.05 117.51 118.26 1knz h ILE 15 Ca 0.13 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1knz h ILE 15 Cb -0.02 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1knz h ILE 15 CO -0.03 0.13 0.04 0.78 0.00 0.00 0.00 178.15 179.08 1knz h ASN 16 N 0.74 0.78 -0.55 1.72 4.21 -1.05 -1.98 115.58 119.44 1knz h ASN 16 Ca 0.28 -0.28 0.03 0.00 1.21 0.00 0.00 56.30 57.54 1knz h ASN 16 Cb 0.10 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.06 1knz h ASN 16 CO -0.14 0.87 0.36 0.28 -1.29 0.00 0.00 177.43 177.51 1knz h SER 17 N 0.66 0.53 -0.57 5.81 0.02 -0.83 -0.11 113.55 119.07 1knz h SER 17 Ca 0.14 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1knz h SER 17 Cb 0.44 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1knz h SER 17 CO 0.02 0.37 0.18 -1.28 -1.14 0.00 0.00 176.83 174.97 1knz h SER 18 N 0.62 0.83 -0.49 3.07 0.87 -0.64 -0.60 113.55 117.21 1knz h SER 18 Ca 0.22 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1knz h SER 18 Cb 0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1knz h SER 18 CO -0.06 0.82 0.18 0.15 -0.53 0.00 0.00 176.83 177.39 1knz h PHE 19 N 0.80 0.76 -0.57 2.24 3.57 -0.45 -1.55 116.94 121.74 1knz h PHE 19 Ca 0.18 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1knz h PHE 19 Cb 0.29 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1knz h PHE 19 CO 0.02 0.65 0.38 0.93 -2.23 0.00 0.00 178.31 178.06 1knz h GLU 20 N 0.65 0.73 -0.20 1.11 5.08 -0.71 -2.11 114.58 119.14 1knz h GLU 20 Ca 0.16 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1knz h GLU 20 Cb 0.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1knz h GLU 20 CO -0.01 0.48 -0.03 0.00 -1.00 0.00 0.00 179.01 178.45 1knz h ALA 21 N 1.65 0.27 -0.58 3.43 0.00 -0.60 -1.76 119.26 121.67 1knz h ALA 21 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1knz h ALA 21 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1knz h ALA 21 CO -0.05 0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.61 1knz h ALA 22 N 0.75 1.58 -0.00 0.00 0.00 -0.84 -0.40 119.26 120.35 1knz h ALA 22 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1knz h ALA 22 Cb 0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1knz h ALA 22 CO 0.02 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.93 1knz h VAL 23 N 0.79 1.37 -0.56 0.00 2.07 -1.27 -1.29 116.25 117.36 1knz h VAL 23 Ca 0.21 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1knz h VAL 23 Cb -0.08 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1knz h VAL 23 CO -0.04 0.28 0.30 0.58 0.02 0.00 0.00 177.57 178.71 1knz h VAL 24 N -0.45 1.17 0.05 2.57 2.07 -1.06 0.31 116.25 120.91 1knz h VAL 24 Ca 0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1knz h VAL 24 Cb 0.46 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1knz h VAL 24 CO 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 1knz h ALA 25 N 1.56 -0.07 0.56 1.67 0.00 -1.03 0.12 119.26 122.08 1knz h ALA 25 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1knz h ALA 25 Cb 0.02 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1knz h ALA 25 CO -0.03 -0.41 -0.27 0.00 0.00 0.00 0.00 179.25 178.54 1knz h ALA 26 N 0.62 -0.76 -0.63 0.00 0.00 -0.78 -0.52 119.26 117.20 1knz h ALA 26 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1knz h ALA 26 Cb 0.29 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1knz h ALA 26 CO 0.01 -0.90 0.33 0.00 0.00 0.00 0.00 179.25 178.69 1knz h THR 27 N -0.81 0.94 0.00 0.00 1.03 -0.43 -1.44 112.91 112.20 1knz h THR 27 Ca -0.08 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1knz h THR 27 Cb 0.60 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 1knz h THR 27 CO 0.13 0.11 0.00 0.77 -0.01 0.00 0.00 175.52 176.52 1knz h SER 28 N 0.61 0.00 -0.05 0.00 4.64 -0.68 -2.91 113.55 115.16 1knz h SER 28 Ca 0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 1knz h SER 28 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1knz h SER 28 CO -0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.65 1knz h ALA 29 N 2.04 0.09 -0.41 5.18 0.00 -0.05 -2.24 119.26 123.86 1knz h ALA 29 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1knz h ALA 29 Cb 0.73 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1knz h ALA 29 CO 0.00 -0.04 0.09 -0.07 0.00 0.00 0.00 179.25 179.23 1knz h LEU 30 N -0.34 0.03 -0.38 0.00 -0.00 -1.29 -2.19 115.31 111.14 1knz h LEU 30 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1knz h LEU 30 Cb 0.70 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 1knz h LEU 30 CO 0.03 0.05 0.19 -0.08 -0.00 0.00 0.00 178.44 178.63 1knz h GLU 31 N 0.22 0.54 0.00 1.13 4.81 -1.53 0.25 114.58 120.01 1knz h GLU 31 Ca 0.20 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1knz h GLU 31 Cb 0.23 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1knz h GLU 31 CO -0.25 0.47 -0.08 -0.97 -0.73 0.00 0.00 179.01 177.45 1knz h ASN 32 N 0.48 0.00 -0.58 1.04 -1.24 -1.19 -1.73 115.58 112.37 1knz h ASN 32 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1knz h ASN 32 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1knz h ASN 32 CO -0.02 0.08 0.00 0.23 -1.29 0.00 0.00 177.43 176.43 1knz n MET 33 N -3.54 3.87 -2.80 6.67 2.81 -0.84 -4.94 117.12 118.34 1knz n MET 33 Ca -0.02 -2.71 -0.22 0.00 -1.81 0.00 0.00 57.70 52.94 1knz n MET 33 Cb 0.20 -1.97 0.02 0.00 -0.71 0.00 0.00 33.22 30.76 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 0.91 -0.52 3.40 3.03 0.00 -0.65 -4.99 105.19 106.38 1knz n GLY 34 Ca 0.24 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.13 3.43 0.70 -0.61 1.01 0.03 -5.02 121.20 117.61 1knz s ILE 35 Ca 0.19 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1knz s ILE 35 Cb -0.09 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.91 1knz s ILE 35 CO 0.24 0.49 1.09 -1.83 0.00 0.00 0.00 174.94 174.92 1knz s GLU 36 N 0.66 2.66 -0.19 2.79 4.04 -1.26 -4.01 118.70 123.38 1knz s GLU 36 Ca -0.04 1.21 -0.31 0.00 0.04 0.00 0.00 54.97 55.86 1knz s GLU 36 Cb -0.15 -1.94 0.15 0.00 0.02 0.00 0.00 34.13 32.20 1knz s GLU 36 CO 0.02 -1.34 1.15 1.52 -1.84 0.00 0.00 175.26 174.78 1knz s TYR 37 N -2.70 -0.20 -0.21 4.83 -0.85 -1.26 -5.03 117.35 111.93 1knz s TYR 37 Ca 0.63 0.26 -0.09 0.00 -0.52 0.00 0.00 57.07 57.35 1knz s TYR 37 Cb -0.18 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 1knz s TYR 37 CO 0.49 -0.23 0.11 0.34 -1.52 0.00 0.00 175.55 174.74 1knz s ASP 38 N -1.53 5.94 0.16 -0.18 -1.08 -1.26 -5.01 116.67 113.71 1knz s ASP 38 Ca 0.05 0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.94 1knz s ASP 38 Cb -0.01 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1knz s ASP 38 CO -0.04 0.13 1.57 0.22 0.52 0.00 0.00 175.17 177.58 1knz h TYR 39 N 7.00 -1.29 -1.00 -5.34 3.20 -2.01 -0.07 116.97 117.46 1knz h TYR 39 Ca -0.39 0.07 0.15 0.00 3.14 0.00 0.00 58.73 61.71 1knz h TYR 39 Cb 1.16 0.63 -0.09 0.00 1.54 0.00 0.00 36.73 39.97 1knz h TYR 39 CO 0.60 -0.44 0.62 1.96 -1.64 0.00 0.00 178.16 179.27 1knz h GLN 40 N -0.30 0.85 0.55 1.82 1.08 -1.98 0.42 115.11 117.55 1knz h GLN 40 Ca 0.14 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1knz h GLN 40 Cb 0.58 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1knz h GLN 40 CO -0.61 0.57 -0.26 0.22 -0.95 0.00 0.00 178.83 177.79 1knz h ASP 41 N 0.88 -0.62 0.13 1.46 3.58 -1.46 -0.63 116.42 119.76 1knz h ASP 41 Ca 0.53 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.89 1knz h ASP 41 Cb 0.68 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1knz h ASP 41 CO -0.31 -0.36 -0.23 0.40 -2.88 0.00 0.00 179.24 175.86 1knz h ILE 42 N -0.85 1.22 0.18 2.25 2.04 -0.85 -1.75 117.51 119.74 1knz h ILE 42 Ca -0.08 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1knz h ILE 42 Cb 0.61 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1knz h ILE 42 CO 0.12 0.30 -0.08 0.22 0.00 0.00 0.00 178.15 178.71 1knz h TYR 43 N 0.17 -0.22 -0.82 1.37 3.20 -0.00 -2.34 116.97 118.33 1knz h TYR 43 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1knz h TYR 43 Cb 0.51 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1knz h TYR 43 CO 0.01 -0.04 0.54 1.03 -1.64 0.00 0.00 178.16 178.06 1knz h SER 44 N -0.36 0.91 -0.07 -2.11 0.87 -0.86 -2.20 113.55 109.72 1knz h SER 44 Ca -0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1knz h SER 44 Cb 0.28 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1knz h SER 44 CO 0.04 0.64 -0.00 0.03 -0.53 0.00 0.00 176.83 177.01 1knz h ARG 45 N 1.07 0.13 -0.34 2.24 3.08 -1.17 -2.09 114.38 117.30 1knz h ARG 45 Ca 0.31 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 1knz h ARG 45 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1knz h ARG 45 CO -0.08 0.40 -0.04 0.28 -1.07 0.00 0.00 179.97 179.46 1knz h VAL 46 N -0.16 1.21 -0.28 2.04 2.07 -1.35 -2.67 116.25 117.12 1knz h VAL 46 Ca 0.02 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1knz h VAL 46 Cb 0.34 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1knz h VAL 46 CO 0.00 0.30 -0.12 0.50 0.02 0.00 0.00 177.57 178.28 1knz h LYS 47 N 0.52 0.57 -0.40 1.57 3.11 -1.34 0.24 116.57 120.84 1knz h LYS 47 Ca 0.11 -0.24 0.03 0.00 -2.81 0.00 0.00 60.65 57.73 1knz h LYS 47 Cb 0.39 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 1knz h LYS 47 CO 0.02 0.80 0.21 -0.91 -2.81 0.00 0.00 179.45 176.76 1knz h ASN 48 N 0.31 0.32 0.07 4.20 2.35 -1.25 0.17 115.58 121.75 1knz h ASN 48 Ca 0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1knz h ASN 48 Cb 0.62 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1knz h ASN 48 CO 0.04 0.23 -0.03 0.50 -1.65 0.00 0.00 177.43 176.51 1knz h LYS 49 N 0.43 -0.09 -0.27 0.81 1.63 -1.37 -1.01 116.57 116.70 1knz h LYS 49 Ca 0.17 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1knz h LYS 49 Cb 0.05 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1knz h LYS 49 CO -0.10 0.19 0.09 0.35 -3.45 0.00 0.00 179.45 176.52 1knz h PHE 50 N -0.38 0.16 -0.49 1.91 3.57 -0.34 0.18 116.94 121.55 1knz h PHE 50 Ca -0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1knz h PHE 50 Cb 0.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1knz h PHE 50 CO 0.02 0.07 0.18 -0.44 -2.23 0.00 0.00 178.31 175.91 1knz h ASP 51 N 0.21 0.68 -0.39 0.41 3.45 -0.68 -0.00 116.42 120.09 1knz h ASP 51 Ca 0.12 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 1knz h ASP 51 Cb 0.09 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1knz h ASP 51 CO -0.13 0.67 0.01 0.15 -1.57 0.00 0.00 179.24 178.37 1knz h PHE 52 N 0.65 0.75 -0.24 4.55 3.57 -0.85 -1.47 116.94 123.90 1knz h PHE 52 Ca 0.16 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1knz h PHE 52 Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1knz h PHE 52 CO 0.01 0.77 0.07 0.28 -2.23 0.00 0.00 178.31 177.20 1knz h VAL 53 N 0.52 1.20 -0.35 1.41 2.07 -0.54 0.38 116.25 120.94 1knz h VAL 53 Ca 0.11 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1knz h VAL 53 Cb 0.46 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1knz h VAL 53 CO 0.02 0.21 -0.06 0.24 0.02 0.00 0.00 177.57 178.00 1knz h MET 54 N 0.22 0.57 0.00 1.57 2.86 -0.96 -1.35 114.93 117.83 1knz h MET 54 Ca 0.08 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1knz h MET 54 Cb 0.26 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1knz h MET 54 CO -0.00 0.63 -0.17 0.22 1.06 0.00 0.00 176.91 178.65 1knz h ASP 55 N 0.53 0.00 -1.00 1.22 3.58 -1.16 -1.56 116.42 118.04 1knz h ASP 55 Ca 0.11 -0.34 0.12 0.00 0.42 0.00 0.00 57.03 57.33 1knz h ASP 55 Cb 0.43 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.40 1knz h ASP 55 CO 0.02 0.77 0.63 -0.78 -2.88 0.00 0.00 179.24 177.00 1knz h ASP 56 N -1.00 0.93 0.95 2.28 1.82 -0.30 -1.38 116.42 119.71 1knz h ASP 56 Ca -0.03 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1knz h ASP 56 Cb 0.48 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1knz h ASP 56 CO -0.02 0.50 0.00 0.77 -1.61 0.00 0.00 179.24 178.88 1knz h SER 57 N 1.00 0.00 0.00 2.28 4.64 -1.40 -3.46 113.55 116.61 1knz h SER 57 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1knz h SER 57 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1knz h SER 57 CO -0.26 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 1knz n GLY 58 N 0.30 0.46 0.15 -0.77 0.00 -0.52 -4.87 105.19 99.94 1knz n GLY 58 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 1.29 -0.39 1.61 2.07 -1.79 -2.51 116.25 116.53 1knz h VAL 59 Ca 0.00 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 65.52 1knz h VAL 59 Cb 0.21 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1knz h VAL 59 CO 0.00 0.54 0.05 0.50 0.02 0.00 0.00 177.57 178.68 1knz h LYS 60 N 0.00 0.65 -0.31 1.57 3.64 -1.61 -2.73 116.57 117.77 1knz h LYS 60 Ca -0.01 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1knz h LYS 60 Cb 1.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1knz h LYS 60 CO 0.07 0.71 0.05 -0.91 -2.27 0.00 0.00 179.45 177.10 1knz h ASN 61 N 0.49 0.42 0.66 4.20 2.35 -1.79 -2.86 115.58 119.04 1knz h ASN 61 Ca 0.12 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1knz h ASN 61 Cb 0.38 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1knz h ASN 61 CO 0.01 0.44 -0.32 -1.13 -1.65 0.00 0.00 177.43 174.79 1knz h ASN 62 N 0.45 -0.75 -0.02 5.81 -0.73 -1.13 -0.65 115.58 118.55 1knz h ASN 62 Ca 0.10 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 1knz h ASN 62 Cb 0.21 0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.99 1knz h ASN 62 CO -0.00 -0.53 0.01 -0.65 -0.37 0.00 0.00 177.43 175.88 1knz h PRO 63 N -0.89 0.03 -0.74 6.67 0.11 -1.55 -0.13 132.00 135.50 1knz h PRO 63 Ca -0.09 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.04 1knz h PRO 63 Cb 0.68 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.74 1knz h PRO 63 CO 0.15 0.24 0.47 0.82 -0.21 0.00 0.00 178.00 179.47 1knz h ILE 64 N -0.18 1.10 -0.44 4.15 2.04 -1.59 0.92 117.51 123.51 1knz h ILE 64 Ca 0.01 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1knz h ILE 64 Cb 0.22 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1knz h ILE 64 CO -0.00 0.17 0.26 1.23 0.00 0.00 0.00 178.15 179.80 1knz h GLY 65 N 0.91 0.65 1.02 5.37 0.00 -0.96 0.88 103.07 110.94 1knz h GLY 65 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1knz h GLY 65 CO -0.12 0.27 0.16 0.50 0.00 0.00 0.00 176.54 177.35 1knz h LYS 66 N 0.58 0.96 -0.42 4.80 1.57 -0.03 -1.73 116.57 122.30 1knz h LYS 66 Ca 0.16 -0.23 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1knz h LYS 66 Cb 0.02 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 1knz h LYS 66 CO -0.03 0.88 0.07 0.00 -0.57 0.00 0.00 179.45 179.80 1knz h ALA 67 N 1.05 0.45 -0.91 3.86 0.00 0.14 -1.50 119.26 122.35 1knz h ALA 67 Ca 0.19 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1knz h ALA 67 Cb 0.34 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1knz h ALA 67 CO 0.00 -0.33 0.56 0.82 0.00 0.00 0.00 179.25 180.29 1knz h ILE 68 N 0.20 1.25 -0.90 0.00 2.04 -0.43 -1.33 117.51 118.33 1knz h ILE 68 Ca 0.21 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1knz h ILE 68 Cb 0.26 -0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.24 1knz h ILE 68 CO -0.28 0.26 0.59 0.74 0.00 0.00 0.00 178.15 179.45 1knz h THR 69 N 1.25 1.10 -0.41 -0.27 2.02 -0.40 -0.77 112.91 115.43 1knz h THR 69 Ca 0.33 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 1knz h THR 69 Cb -0.07 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 1knz h THR 69 CO -0.06 0.20 -0.29 0.40 0.37 0.00 0.00 175.52 176.14 1knz h ILE 70 N 1.07 1.27 -0.24 3.11 2.04 -0.58 -1.72 117.51 122.46 1knz h ILE 70 Ca 0.38 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.81 1knz h ILE 70 Cb 0.12 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1knz h ILE 70 CO -0.13 0.49 0.09 0.44 0.00 0.00 0.00 178.15 179.04 1knz h ASP 71 N 0.74 0.11 -0.75 1.72 3.32 -0.47 -0.34 116.42 120.76 1knz h ASP 71 Ca 0.08 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1knz h ASP 71 Cb 0.87 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1knz h ASP 71 CO 0.08 0.10 0.50 1.56 -1.72 0.00 0.00 179.24 179.75 1knz h GLN 72 N 0.21 0.98 -0.16 3.56 4.20 -1.09 -0.47 115.11 122.34 1knz h GLN 72 Ca 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1knz h GLN 72 Cb 0.06 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1knz h GLN 72 CO -0.10 0.65 -0.01 0.00 -0.67 0.00 0.00 178.83 178.70 1knz h ALA 73 N 1.28 1.69 0.00 3.87 0.00 -0.76 0.33 119.26 125.68 1knz h ALA 73 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1knz h ALA 73 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1knz h ALA 73 CO -0.07 0.23 -0.20 -0.07 0.00 0.00 0.00 179.25 179.15 1knz h LEU 74 N 0.23 0.00 -3.13 0.00 3.38 0.40 -2.55 115.31 113.64 1knz h LEU 74 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1knz h LEU 74 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1knz h LEU 74 CO 0.00 0.20 0.04 -3.20 0.09 0.00 0.00 178.44 175.57 1knz n ASN 75 N -3.26 4.81 -1.28 -0.43 2.85 -0.03 -4.90 115.26 113.02 1knz n ASN 75 Ca 0.01 -2.80 -0.12 0.00 -0.11 0.00 0.00 54.58 51.56 1knz n ASN 75 Cb 0.48 -0.66 -0.02 0.00 1.24 0.00 0.00 39.78 40.82 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 0.42 -4.03 -3.78 1.20 3.02 -0.96 -4.97 115.26 106.16 1knz n ASN 76 Ca 0.24 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 1knz n ASN 76 Cb 1.06 -3.08 -0.10 0.00 -0.61 0.00 0.00 39.78 37.05 1knz n ASN 76 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1knz n LYS 77 N -2.29 2.26 0.00 3.52 5.02 0.96 -4.92 118.16 122.72 1knz n LYS 77 Ca -0.14 -4.56 0.12 0.00 -2.02 0.00 0.00 58.31 51.71 1knz n LYS 77 Cb 0.56 -2.30 0.71 0.00 -0.02 0.00 0.00 35.03 33.98 1knz n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1knz n PHE 78 N 1.62 0.00 -0.28 2.13 3.01 -1.26 -3.02 117.46 119.66 1knz n PHE 78 Ca 0.24 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.79 1knz n PHE 78 Cb 0.37 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.08 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 4.52 1.15 0.86 1.37 0.00 -1.94 0.67 103.07 109.70 1knz h GLY 79 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1knz h GLY 79 CO 0.00 -0.33 -0.66 0.23 0.00 0.00 0.00 176.54 175.78 1knz h SER 80 N 0.18 0.61 -0.96 0.19 0.87 -1.90 -1.05 113.55 111.48 1knz h SER 80 Ca 0.49 -0.74 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 1knz h SER 80 Cb 0.94 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.65 1knz h SER 80 CO -0.65 1.27 0.61 0.00 -0.53 0.00 0.00 176.83 177.52 1knz h ALA 81 N 0.35 1.32 -0.69 6.23 0.00 -1.53 0.36 119.26 125.30 1knz h ALA 81 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1knz h ALA 81 Cb 1.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1knz h ALA 81 CO 0.13 0.40 0.16 0.82 0.00 0.00 0.00 179.25 180.76 1knz h ILE 82 N 1.12 1.26 -0.30 0.00 2.04 0.34 -1.20 117.51 120.77 1knz h ILE 82 Ca 0.41 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1knz h ILE 82 Cb 0.16 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1knz h ILE 82 CO -0.17 0.37 -0.00 -0.09 0.00 0.00 0.00 178.15 178.26 1knz h ARG 83 N 1.05 0.46 -0.11 2.37 2.43 0.61 -1.98 114.38 119.21 1knz h ARG 83 Ca 0.22 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1knz h ARG 83 Cb 0.38 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1knz h ARG 83 CO 0.00 0.49 -0.00 -0.97 -1.51 0.00 0.00 179.97 177.98 1knz h ASN 84 N 0.44 0.20 -0.10 -3.80 -1.24 0.61 -1.82 115.58 109.88 1knz h ASN 84 Ca 0.10 -0.31 0.01 0.00 0.71 0.00 0.00 56.30 56.80 1knz h ASN 84 Cb 0.30 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1knz h ASN 84 CO 0.01 0.46 0.04 0.03 -1.29 0.00 0.00 177.43 176.67 1knz h ARG 85 N -0.07 0.08 -0.65 6.67 -0.00 -1.04 -2.06 114.38 117.31 1knz h ARG 85 Ca 0.03 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.54 1knz h ARG 85 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.27 1knz h ARG 85 CO 0.01 0.06 0.39 -0.91 0.00 0.00 0.00 179.97 179.52 1knz h ASN 86 N 0.09 0.63 0.53 7.04 2.35 -1.36 0.01 115.58 124.86 1knz h ASN 86 Ca 0.04 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1knz h ASN 86 Cb 0.02 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1knz h ASN 86 CO -0.04 0.43 -0.38 -0.25 -1.65 0.00 0.00 177.43 175.54 1knz h TRP 87 N 0.76 -1.03 -0.02 1.19 7.01 -1.12 0.79 115.95 123.54 1knz h TRP 87 Ca 0.27 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1knz h TRP 87 Cb 0.06 0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1knz h TRP 87 CO -0.06 -0.56 0.02 -0.07 -2.79 0.00 0.00 178.44 174.98 1knz h LEU 88 N -0.89 0.00 0.00 0.65 3.38 -1.19 -2.10 115.31 115.16 1knz h LEU 88 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1knz h LEU 88 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1knz h LEU 88 CO 0.02 0.00 -0.46 0.00 0.09 0.00 0.00 178.44 178.09 1knz h ALA 89 N 1.98 0.75 -1.45 1.53 0.00 -0.32 -3.46 119.26 118.29 1knz h ALA 89 Ca 0.01 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.18 1knz h ALA 89 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.88 1knz h ALA 89 CO -0.00 0.00 0.52 -0.25 0.00 0.00 0.00 179.25 179.52 1knz n ASP 90 N -2.63 1.48 -0.33 0.00 10.43 0.21 -4.79 116.55 120.91 1knz n ASP 90 Ca 0.03 1.12 0.26 0.00 2.57 0.00 0.00 54.79 58.77 1knz n ASP 90 Cb 0.50 -1.09 0.56 0.00 1.84 0.00 0.00 41.12 42.93 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 3.93 0.47 -0.05 -3.53 1.35 -1.90 -0.04 112.91 113.14 1knz h THR 91 Ca -0.48 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1knz h THR 91 Cb 1.35 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1knz h THR 91 CO 0.82 0.06 0.00 -1.20 -0.25 0.00 0.00 175.52 174.95 1knz n SER 92 N -4.57 2.53 -0.13 5.36 7.64 -1.26 -4.58 113.62 118.61 1knz n SER 92 Ca 0.26 -1.84 -0.06 0.00 1.01 0.00 0.00 58.87 58.24 1knz n SER 92 Cb 0.98 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 3.91 -0.20 -0.85 1.43 9.65 -1.28 -1.08 114.38 125.97 1knz h ARG 93 Ca 0.00 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 1knz h ARG 93 Cb 0.83 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.39 1knz h ARG 93 CO 0.00 -0.13 0.50 -1.35 2.80 0.00 0.00 179.97 181.79 1knz h PRO 94 N -0.21 0.82 -0.28 0.20 0.11 -1.81 0.03 132.00 130.87 1knz h PRO 94 Ca 0.19 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1knz h PRO 94 Cb 0.52 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1knz h PRO 94 CO -0.56 0.54 0.15 0.00 -0.21 0.00 0.00 178.00 177.93 1knz h ALA 95 N 1.45 0.36 -0.19 -0.75 0.00 -1.60 0.34 119.26 118.87 1knz h ALA 95 Ca 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1knz h ALA 95 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1knz h ALA 95 CO -0.23 -0.11 0.10 0.87 0.00 0.00 0.00 179.25 179.88 1knz h LYS 96 N 0.33 0.27 -0.23 0.00 1.79 -0.51 0.17 116.57 118.39 1knz h LYS 96 Ca 0.10 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.39 1knz h LYS 96 Cb 0.07 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1knz h LYS 96 CO -0.02 0.26 -0.45 -0.07 -1.08 0.00 0.00 179.45 178.10 1knz h LEU 97 N 0.20 0.63 -0.72 2.94 3.38 -0.95 -1.75 115.31 119.04 1knz h LEU 97 Ca 0.07 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1knz h LEU 97 Cb 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1knz h LEU 97 CO -0.01 0.99 0.47 0.44 0.09 0.00 0.00 178.44 180.42 1knz h ASP 98 N 0.47 0.81 -0.49 -0.43 3.32 0.05 0.46 116.42 120.62 1knz h ASP 98 Ca 0.03 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1knz h ASP 98 Cb 0.97 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1knz h ASP 98 CO 0.09 0.58 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.79 1knz h GLU 99 N 0.96 0.91 0.56 3.56 5.08 -0.50 -1.33 114.58 123.81 1knz h GLU 99 Ca 0.27 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1knz h GLU 99 Cb -0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1knz h GLU 99 CO -0.07 0.97 -0.35 0.22 -1.00 0.00 0.00 179.01 178.79 1knz h ASP 100 N 0.76 -0.88 -0.72 1.42 1.82 -0.59 -2.28 116.42 115.96 1knz h ASP 100 Ca 0.13 0.05 0.11 0.00 -0.39 0.00 0.00 57.03 56.93 1knz h ASP 100 Cb 0.61 0.26 -0.08 0.00 0.68 0.00 0.00 39.33 40.80 1knz h ASP 100 CO 0.04 -0.54 0.33 0.58 -1.61 0.00 0.00 179.24 178.03 1knz h VAL 101 N -0.86 0.78 0.32 2.25 2.07 -0.02 -2.46 116.25 118.33 1knz h VAL 101 Ca -0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1knz h VAL 101 Cb 0.70 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1knz h VAL 101 CO 0.07 0.10 -0.28 0.78 0.02 0.00 0.00 177.57 178.26 1knz h ASN 102 N 0.54 -0.73 -0.31 0.57 4.21 -1.04 -0.72 115.58 118.10 1knz h ASN 102 Ca 0.37 0.06 0.06 0.00 1.21 0.00 0.00 56.30 58.00 1knz h ASN 102 Cb 0.45 0.24 -0.08 0.00 -1.12 0.00 0.00 38.32 37.81 1knz h ASN 102 CO -0.31 -0.41 -0.41 0.11 -1.29 0.00 0.00 177.43 175.12 1knz h LYS 103 N -0.61 -0.36 -0.71 0.81 1.79 -1.10 -0.78 116.57 115.61 1knz h LYS 103 Ca -0.02 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.63 1knz h LYS 103 Cb 0.54 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.17 1knz h LYS 103 CO -0.03 -0.24 0.16 -0.07 -1.08 0.00 0.00 179.45 178.19 1knz h LEU 104 N -0.37 -0.01 -1.08 2.94 3.38 -1.15 -1.11 115.31 117.90 1knz h LEU 104 Ca 0.12 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1knz h LEU 104 Cb 0.59 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1knz h LEU 104 CO -0.51 -0.04 -0.44 0.03 0.09 0.00 0.00 178.44 177.57 1knz h ARG 105 N 0.26 0.00 0.00 1.13 3.08 -0.09 -2.48 114.38 116.28 1knz h ARG 105 Ca 0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.39 1knz h ARG 105 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1knz h ARG 105 CO -0.50 0.44 -0.28 1.98 -1.07 0.00 0.00 179.97 180.53 1knz h MET 106 N 0.00 0.00 -0.01 0.04 4.05 0.11 -2.87 114.93 116.24 1knz h MET 106 Ca -0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1knz h MET 106 Cb 0.82 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 1knz h MET 106 CO 0.06 0.28 -0.62 0.52 0.23 0.00 0.00 176.91 177.38 1knz h MET 107 N 0.00 0.05 -3.43 0.39 2.86 -1.07 -3.52 114.93 110.21 1knz h MET 107 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1knz h MET 107 Cb 0.76 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 1knz h MET 107 CO 0.04 0.65 0.81 1.28 1.06 0.00 0.00 176.91 180.75 1knz n LEU 108 N -3.81 0.44 0.00 1.22 4.77 -1.09 -5.14 117.00 113.40 1knz n LEU 108 Ca -0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1knz n LEU 108 Cb 0.62 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1knz n LEU 108 CO 0.43 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 1knz n GLY 112 N 3.46 1.55 3.61 -0.72 0.00 -1.26 -5.06 105.19 106.77 1knz n GLY 112 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.15 -0.61 2.08 -1.26 -4.87 119.36 114.85 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 -0.05 -0.08 0.00 -0.75 0.00 0.00 39.64 38.76 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 -0.27 -0.10 4.38 3.32 -2.05 0.04 116.42 121.74 1knz h ASP 114 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1knz h ASP 114 Cb 0.00 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1knz h ASP 114 CO 0.00 -0.18 0.06 -0.61 -1.72 0.00 0.00 179.24 176.78 1knz h GLN 115 N -0.32 0.13 -0.47 3.56 4.15 -2.00 -1.67 115.11 118.49 1knz h GLN 115 Ca -0.03 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.46 1knz h GLN 115 Cb 0.25 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.84 1knz h GLN 115 CO 0.05 0.15 0.04 0.87 -1.93 0.00 0.00 178.83 178.01 1knz h LYS 116 N 0.08 0.15 -0.64 1.69 1.57 -1.94 -2.20 116.57 115.29 1knz h LYS 116 Ca 0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1knz h LYS 116 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1knz h LYS 116 CO -0.01 0.10 0.30 0.52 -0.57 0.00 0.00 179.45 179.80 1knz h MET 117 N 0.16 0.93 -0.48 3.15 2.86 -0.76 -0.42 114.93 120.37 1knz h MET 117 Ca 0.24 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1knz h MET 117 Cb 0.34 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 1knz h MET 117 CO -0.36 0.75 0.08 -0.09 1.06 0.00 0.00 176.91 178.35 1knz h ARG 118 N 0.88 0.20 -0.13 1.72 2.43 -0.70 1.91 114.38 120.70 1knz h ARG 118 Ca 0.22 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1knz h ARG 118 Cb 0.13 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1knz h ARG 118 CO -0.03 0.13 -0.03 0.28 -1.51 0.00 0.00 179.97 178.82 1knz h VAL 119 N 0.21 1.29 -0.61 0.20 2.07 -1.23 -2.96 116.25 115.22 1knz h VAL 119 Ca 0.24 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1knz h VAL 119 Cb 0.33 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1knz h VAL 119 CO -0.33 0.28 0.26 -0.07 0.02 0.00 0.00 177.57 177.73 1knz h LEU 120 N -0.06 0.83 -2.12 2.57 3.38 -0.26 -2.76 115.31 116.90 1knz h LEU 120 Ca 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1knz h LEU 120 Cb 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1knz h LEU 120 CO 0.01 0.76 -0.07 0.78 0.09 0.00 0.00 178.44 180.02 1knz h ASN 121 N 0.85 0.00 0.44 -0.43 2.35 0.30 -0.10 115.58 118.99 1knz h ASN 121 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1knz h ASN 121 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1knz h ASN 121 CO -0.02 0.07 -0.25 0.00 -1.65 0.00 0.00 177.43 175.58 1knz n ALA 122 N -2.22 3.02 0.00 -0.83 0.00 -1.05 -4.16 120.51 115.27 1knz n ALA 122 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1knz n ALA 122 Cb 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1knz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1knz s PHE 124 N -1.76 1.03 -0.03 0.00 0.40 -0.12 -4.70 117.98 112.80 1knz s PHE 124 Ca 0.00 -0.47 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1knz s PHE 124 Cb 0.00 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 1knz s PHE 124 CO 0.00 0.01 -0.24 0.45 0.70 0.00 0.00 175.22 176.14 1knz s SER 125 N -1.67 3.21 -0.22 1.36 0.15 -0.31 -4.59 113.70 111.63 1knz s SER 125 Ca -0.05 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 1knz s SER 125 Cb -0.10 -0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 1knz s SER 125 CO 0.02 0.30 0.02 -0.69 1.20 0.00 0.00 173.24 174.09 1knz s VAL 126 N -0.51 4.01 0.42 4.45 1.01 -1.26 -0.52 120.40 128.00 1knz s VAL 126 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1knz s VAL 126 Cb -0.11 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1knz s VAL 126 CO 0.00 0.40 0.07 -1.59 0.00 0.00 0.00 175.10 173.99 1knz s LYS 127 N 1.22 1.94 -0.07 2.72 -2.85 0.75 -4.96 119.74 118.50 1knz s LYS 127 Ca 0.04 -2.18 -0.03 0.00 -1.00 0.00 0.00 55.97 52.80 1knz s LYS 127 Cb -0.15 -0.97 0.04 0.00 -2.06 0.00 0.00 37.83 34.69 1knz s LYS 127 CO 0.02 -0.36 0.14 0.50 0.10 0.00 0.00 175.35 175.75 1knz s ARG 128 N -3.79 0.08 -0.20 1.78 3.52 -1.26 -0.12 118.95 118.95 1knz s ARG 128 Ca 0.23 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 1knz s ARG 128 Cb 0.04 -0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1knz s ARG 128 CO 0.12 -0.19 1.10 0.42 -0.81 0.00 0.00 175.30 175.94 1knz s ILE 129 N 1.36 4.57 -0.09 4.11 1.01 -1.26 -4.93 121.20 125.98 1knz s ILE 129 Ca -0.07 1.89 -0.32 0.00 0.00 0.00 0.00 60.65 62.15 1knz s ILE 129 Cb -0.12 -4.22 -0.15 0.00 0.01 0.00 0.00 42.46 37.98 1knz s ILE 129 CO -0.06 -0.15 0.92 -2.65 0.00 0.00 0.00 174.94 173.00 1knz n PRO 130 N 6.27 0.00 0.00 2.79 -0.02 -1.26 -0.60 135.00 142.18 1knz n PRO 130 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1knz n PRO 130 Cb 0.46 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 1.60 2.58 3.88 -1.23 0.00 -1.26 -5.03 105.19 105.73 1knz n GLY 131 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.29 3.76 0.00 1.61 1.02 0.23 -4.71 119.74 121.36 1knz s LYS 132 Ca 0.00 0.33 0.20 0.00 0.02 0.00 0.00 55.97 56.52 1knz s LYS 132 Cb 0.00 -2.50 -0.21 0.00 -0.52 0.00 0.00 37.83 34.60 1knz s LYS 132 CO 0.00 0.10 0.59 -1.13 -0.92 0.00 0.00 175.35 173.99 1knz n SER 133 N -0.96 0.37 -3.68 2.83 3.41 -1.26 -4.84 113.62 109.49 1knz n SER 133 Ca 0.01 0.15 -0.24 0.00 -0.26 0.00 0.00 58.87 58.54 1knz n SER 133 Cb 0.54 1.07 0.16 0.00 -0.26 0.00 0.00 64.21 65.72 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 -2.58 0.25 -4.66 4.04 3.41 -1.26 -4.72 113.62 108.10 1knz n SER 134 Ca -0.10 -1.49 -0.30 0.00 -0.26 0.00 0.00 58.87 56.72 1knz n SER 134 Cb 0.74 -0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 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 -4.96 3.89 -0.05 4.04 1.04 -1.26 -4.65 113.70 111.75 1knz s SER 135 Ca 0.62 -1.53 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1knz s SER 135 Cb -0.02 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1knz s SER 135 CO 0.43 -0.68 -0.14 -0.63 0.98 0.00 0.00 173.24 173.20 1knz s ILE 136 N -2.84 1.18 -0.18 -1.02 -1.09 0.82 -4.94 121.20 113.14 1knz s ILE 136 Ca 0.20 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1knz s ILE 136 Cb 0.05 -1.05 -0.03 0.00 -1.58 0.00 0.00 42.46 39.86 1knz s ILE 136 CO 0.10 0.36 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.52 1knz s ILE 137 N 0.30 3.95 -0.08 2.92 1.01 -1.26 -0.17 121.20 127.86 1knz s ILE 137 Ca -0.08 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1knz s ILE 137 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1knz s ILE 137 CO 0.02 0.46 -0.17 -0.54 0.00 0.00 0.00 174.94 174.72 1knz s LYS 138 N 0.65 2.79 0.04 2.79 3.01 0.32 -4.97 119.74 124.38 1knz s LYS 138 Ca -0.01 -0.75 -0.01 0.00 -1.01 0.00 0.00 55.97 54.19 1knz s LYS 138 Cb -0.14 -2.40 0.00 0.00 -1.01 0.00 0.00 37.83 34.28 1knz s LYS 138 CO 0.02 0.43 0.07 0.00 0.51 0.00 0.00 175.35 176.39 1knz s THR 140 N -2.67 4.91 0.28 0.00 -4.23 -1.26 -4.92 115.64 107.76 1knz s THR 140 Ca 0.03 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1knz s THR 140 Cb -0.00 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 70.17 1knz s THR 140 CO 0.02 -0.74 1.84 0.07 -0.54 0.00 0.00 174.62 175.27 1knz h LYS 141 N 0.54 0.86 -0.21 3.99 -0.00 -2.02 0.73 116.57 120.45 1knz h LYS 141 Ca -0.47 -0.16 0.04 0.00 -0.00 0.00 0.00 60.65 60.06 1knz h LYS 141 Cb 1.20 -0.14 -0.04 0.00 -0.00 0.00 0.00 32.23 33.26 1knz h LYS 141 CO 0.62 0.74 -0.04 1.37 -0.00 0.00 0.00 179.45 182.15 1knz h LEU 142 N 0.83 -0.17 0.22 7.07 8.10 -1.99 0.24 115.31 129.62 1knz h LEU 142 Ca 0.19 0.06 -0.01 0.00 0.11 0.00 0.00 57.88 58.23 1knz h LEU 142 Cb 0.25 0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1knz h LEU 142 CO -0.01 -0.06 -0.11 -0.03 -4.11 0.00 0.00 178.44 174.13 1knz h MET 143 N 0.01 -0.29 -0.32 0.17 1.85 -1.83 -0.99 114.93 113.54 1knz h MET 143 Ca 0.10 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.27 1knz h MET 143 Cb 0.15 0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.16 1knz h MET 143 CO -0.20 -0.05 -0.40 0.00 -0.40 0.00 0.00 176.91 175.86 1knz h ARG 144 N -0.50 -0.35 -0.76 0.39 2.47 -0.46 0.78 114.38 115.95 1knz h ARG 144 Ca -0.03 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1knz h ARG 144 Cb 0.37 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 1knz h ARG 144 CO 0.05 -0.23 0.44 0.38 0.56 0.00 0.00 179.97 181.17 1knz h ASP 145 N -0.36 0.92 -0.71 7.04 -0.00 -0.57 0.43 116.42 123.18 1knz h ASP 145 Ca 0.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.03 57.06 1knz h ASP 145 Cb 0.59 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 39.65 1knz h ASP 145 CO -0.51 0.73 0.38 0.07 -0.00 0.00 0.00 179.24 179.91 1knz h LYS 146 N 1.04 1.01 -0.06 4.15 -0.00 0.01 -2.44 116.57 120.27 1knz h LYS 146 Ca 0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.65 60.79 1knz h LYS 146 Cb -0.01 -0.20 -0.00 0.00 -0.00 0.00 0.00 32.23 32.02 1knz h LYS 146 CO -0.05 0.75 -0.02 -0.07 -0.00 0.00 0.00 179.45 180.06 1knz h LEU 147 N 1.01 0.13 -4.60 7.07 4.07 0.16 -3.04 115.31 120.12 1knz h LEU 147 Ca 0.25 -0.39 -0.19 0.00 0.08 0.00 0.00 57.88 57.63 1knz h LEU 147 Cb 0.04 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1knz h LEU 147 CO -0.04 0.49 0.60 -0.62 -1.08 0.00 0.00 178.44 177.79 1knz n GLU 148 N -4.80 1.51 0.00 1.13 1.02 0.14 -1.51 120.64 118.13 1knz n GLU 148 Ca -0.07 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1knz n GLU 148 Cb 0.24 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1knz n GLU 148 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1knz n ARG 149 N 3.01 0.00 -1.99 3.49 1.85 -1.18 -4.91 116.66 116.92 1knz n ARG 149 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1knz n ARG 149 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 1knz n ARG 149 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1knz n GLY 150 N -0.93 0.16 3.29 2.89 0.00 -0.57 -5.13 105.19 104.89 1knz n GLY 150 Ca 0.00 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 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 0.04 -3.72 1.61 -0.00 -1.26 -4.41 120.64 112.89 1knz n GLU 151 Ca 0.00 0.04 -0.13 0.00 -0.00 0.00 0.00 57.16 57.07 1knz n GLU 151 Cb 0.00 -1.46 -0.14 0.00 -0.00 0.00 0.00 31.44 29.84 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 -2.05 -0.10 0.09 3.84 1.01 -1.26 -4.91 120.40 117.03 1knz s VAL 152 Ca 0.55 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1knz s VAL 152 Cb -0.30 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 1knz s VAL 152 CO 0.68 0.08 0.55 -1.83 0.00 0.00 0.00 175.10 174.58 1knz s GLU 153 N 1.44 4.09 -0.03 2.72 1.03 -1.26 -5.01 118.70 121.68 1knz s GLU 153 Ca -0.07 0.62 0.09 0.00 0.03 0.00 0.00 54.97 55.64 1knz s GLU 153 Cb -0.11 -3.12 -0.14 0.00 -0.80 0.00 0.00 34.13 29.96 1knz s GLU 153 CO -0.07 0.58 0.17 0.28 -1.33 0.00 0.00 175.26 174.89 1knz n VAL 154 N 1.37 0.13 -1.07 1.83 0.31 -1.26 -5.11 118.33 114.53 1knz n VAL 154 Ca -0.09 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1knz n VAL 154 Cb 0.51 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.93 -3.99 0.34 4.52 8.00 -1.26 -4.37 116.55 117.85 1knz n ASP 155 Ca -0.04 0.42 0.20 0.00 0.71 0.00 0.00 54.79 56.08 1knz n ASP 155 Cb 0.36 -2.14 1.08 0.00 -0.02 0.00 0.00 41.12 40.40 1knz n ASP 155 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1knz h ASP 156 N 1.20 0.00 0.06 -2.24 3.04 -2.01 -2.27 116.42 114.20 1knz h ASP 156 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1knz h ASP 156 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1knz h ASP 156 CO 0.00 0.00 -0.03 -1.28 -2.04 0.00 0.00 179.24 175.89 1knz h SER 157 N 0.00 -0.07 -0.47 4.15 0.87 -2.00 -2.95 113.55 113.08 1knz h SER 157 Ca 0.00 -0.34 0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1knz h SER 157 Cb 0.24 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1knz h SER 157 CO -0.00 0.31 0.24 -0.26 -0.53 0.00 0.00 176.83 176.58 1knz h PHE 158 N -0.46 0.43 0.10 2.24 0.05 -1.61 -1.27 116.94 116.43 1knz h PHE 158 Ca -0.01 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.82 1knz h PHE 158 Cb 0.40 -0.13 -0.04 0.00 2.00 0.00 0.00 35.95 38.19 1knz h PHE 158 CO 0.05 0.22 -0.30 0.28 -0.18 0.00 0.00 178.31 178.38 1knz h VAL 159 N 0.47 0.36 -1.00 -0.55 2.07 -1.60 -1.57 116.25 114.42 1knz h VAL 159 Ca 0.21 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.86 1knz h VAL 159 Cb 0.11 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1knz h VAL 159 CO -0.15 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.51 1knz h ASP 160 N -0.50 0.90 0.00 0.57 5.19 -1.31 0.54 116.42 121.81 1knz h ASP 160 Ca 0.04 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1knz h ASP 160 Cb 0.54 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1knz h ASP 160 CO -0.18 0.45 0.08 -1.84 -3.12 0.00 0.00 179.24 174.62 1knz n GLU 161 N -4.65 0.11 -0.51 3.56 0.28 -0.50 -0.07 120.64 118.85 1knz n GLU 161 Ca 0.20 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.86 1knz n GLU 161 Cb 0.40 -1.94 0.19 0.00 1.43 0.00 0.00 31.44 31.53 1knz n GLU 161 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1knz n LYS 162 N -2.09 1.51 -0.77 3.44 2.85 0.19 -5.09 118.16 118.19 1knz n LYS 162 Ca -0.01 -3.15 0.00 0.00 -1.05 0.00 0.00 58.31 54.10 1knz n LYS 162 Cb 0.11 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1knz n LYS 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35