#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn n ALA 2 N 0.00 5.06 -2.14 3.04 0.00 -1.26 -4.88 120.51 120.33 2kzn n ALA 2 Ca 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 53.44 49.46 2kzn n ALA 2 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 15.81 2kzn n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kzn s TYR 3 N 3.35 0.75 0.49 0.00 2.02 -1.26 -5.15 117.35 117.55 2kzn s TYR 3 Ca 0.48 -1.05 -0.24 0.00 -0.37 0.00 0.00 57.07 55.90 2kzn s TYR 3 Cb 0.11 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 41.13 2kzn s TYR 3 CO -0.05 -0.32 1.37 1.21 -1.57 0.00 0.00 175.55 176.20 2kzn s ASN 4 N -3.00 5.67 0.45 2.29 3.84 -1.26 -4.90 114.94 118.02 2kzn s ASN 4 Ca 0.13 2.79 0.13 0.00 0.21 0.00 0.00 52.86 56.12 2kzn s ASN 4 Cb 0.07 -2.64 1.00 0.00 -0.55 0.00 0.00 41.25 39.13 2kzn s ASN 4 CO -0.05 -1.30 2.02 0.07 -2.79 0.00 0.00 177.10 175.05 2kzn h LYS 5 N 1.97 0.13 -0.41 0.43 -0.00 -2.00 -1.12 116.57 115.57 2kzn h LYS 5 Ca -0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.12 2kzn h LYS 5 Cb 1.28 -0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 33.46 2kzn h LYS 5 CO 0.59 0.21 0.23 1.49 -0.00 0.00 0.00 179.45 181.98 2kzn h GLU 6 N 0.13 0.57 -0.76 0.07 4.22 -1.99 -1.16 114.58 115.66 2kzn h GLU 6 Ca 0.03 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.47 2kzn h GLU 6 Cb 0.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2kzn h GLU 6 CO 0.01 0.45 0.50 1.49 -2.18 0.00 0.00 179.01 179.28 2kzn h GLU 7 N 0.54 0.79 -0.32 1.92 4.57 -1.58 -1.11 114.58 119.38 2kzn h GLU 7 Ca 0.15 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 2kzn h GLU 7 Cb 0.04 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 2kzn h GLU 7 CO -0.02 0.52 -0.20 -0.22 -1.18 0.00 0.00 179.01 177.91 2kzn h LYS 8 N 0.81 0.70 -0.79 1.92 3.64 -1.07 -3.12 116.57 118.66 2kzn h LYS 8 Ca 0.33 -0.33 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 2kzn h LYS 8 Cb 0.25 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2kzn h LYS 8 CO -0.11 0.93 0.52 0.82 -2.27 0.00 0.00 179.45 179.34 2kzn h ILE 9 N 0.47 0.81 0.00 2.00 1.08 0.04 -0.99 117.51 120.92 2kzn h ILE 9 Ca 0.07 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 2kzn h ILE 9 Cb 0.74 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2kzn h ILE 9 CO 0.06 0.09 -0.19 0.11 -0.69 0.00 0.00 178.15 177.52 2kzn h LYS 10 N 0.50 0.00 -0.20 2.37 1.57 -1.36 -1.09 116.57 118.36 2kzn h LYS 10 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2kzn h LYS 10 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2kzn h LYS 10 CO -0.14 0.19 0.00 0.43 -0.57 0.00 0.00 179.45 179.36 2kzn n SER 11 N -3.86 2.49 -0.03 0.86 7.64 -0.55 -4.63 113.62 115.54 2kzn n SER 11 Ca -0.02 -1.91 -0.08 0.00 1.01 0.00 0.00 58.87 57.87 2kzn n SER 11 Cb 0.29 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 2kzn n SER 11 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kzn n LEU 12 N 0.21 0.77 0.28 -3.43 7.94 -0.49 -4.66 117.00 117.63 2kzn n LEU 12 Ca 0.07 0.13 0.15 0.00 -1.11 0.00 0.00 56.01 55.25 2kzn n LEU 12 Cb 0.34 -0.30 0.80 0.00 0.53 0.00 0.00 43.42 44.79 2kzn n LEU 12 CO 0.05 0.02 1.01 0.78 -1.11 0.00 0.00 177.39 178.14 2kzn h ASN 13 N -0.31 0.00 0.35 1.96 -0.26 -1.47 -2.40 115.58 113.45 2kzn h ASN 13 Ca -0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.54 2kzn h ASN 13 Cb 1.01 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.27 2kzn h ASN 13 CO -0.11 0.08 -0.12 0.03 -1.06 0.00 0.00 177.43 176.25 2kzn h ARG 14 N 0.00 0.00 0.00 0.81 2.47 -1.82 -1.40 114.38 114.44 2kzn h ARG 14 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kzn h ARG 14 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2kzn h ARG 14 CO 0.01 0.12 -0.06 -1.33 0.56 0.00 0.00 179.97 179.27 2kzn n MET 15 N -3.68 0.05 0.13 0.04 2.81 -0.92 -4.64 117.12 110.91 2kzn n MET 15 Ca -0.02 0.26 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 2kzn n MET 15 Cb 0.23 -0.83 0.16 0.00 -0.71 0.00 0.00 33.22 32.07 2kzn n MET 15 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 2kzn h GLN 16 N -0.10 0.00 0.10 0.03 3.07 -1.53 -3.13 115.11 113.55 2kzn h GLN 16 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.44 2kzn h GLN 16 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2kzn h GLN 16 CO 0.00 0.00 -1.56 -0.92 0.09 0.00 0.00 178.83 176.44 2kzn h TYR 17 N 0.00 0.38 0.00 0.06 5.03 -1.49 -2.42 116.97 118.54 2kzn h TYR 17 Ca 0.00 -0.28 -0.02 0.00 2.58 0.00 0.00 58.73 61.01 2kzn h TYR 17 Cb 0.90 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.16 2kzn h TYR 17 CO 0.00 1.35 -0.08 0.93 -1.32 0.00 0.00 178.16 179.04 2kzn h GLU 18 N 0.06 0.00 0.11 1.82 4.39 -1.52 -2.60 114.58 116.83 2kzn h GLU 18 Ca -0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2kzn h GLU 18 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 2kzn h GLU 18 CO 0.15 0.08 -0.05 0.28 -1.16 0.00 0.00 179.01 178.31 2kzn h VAL 19 N 0.00 0.67 -0.94 3.13 2.07 -1.50 -3.32 116.25 116.36 2kzn h VAL 19 Ca -0.00 -1.26 0.27 0.00 0.82 0.00 0.00 66.70 66.53 2kzn h VAL 19 Cb 0.21 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2kzn h VAL 19 CO 0.01 0.20 0.87 0.74 0.02 0.00 0.00 177.57 179.42 2kzn h THR 20 N -0.97 0.23 -0.04 2.57 2.02 -1.14 0.41 112.91 116.00 2kzn h THR 20 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2kzn h THR 20 Cb 0.44 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2kzn h THR 20 CO 0.02 0.00 0.05 -0.61 0.37 0.00 0.00 175.52 175.36 2kzn h GLN 21 N 0.00 0.00 0.00 6.66 5.75 -1.57 -3.28 115.11 122.67 2kzn h GLN 21 Ca 0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 2kzn h GLN 21 Cb 2.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.74 2kzn h GLN 21 CO -0.00 0.00 0.00 0.27 -2.65 0.00 0.00 178.83 176.45 2kzn n ASN 22 N -3.79 0.00 -3.20 -0.69 6.94 -0.78 -5.06 115.26 108.68 2kzn n ASN 22 Ca -0.02 -1.00 -0.10 0.00 -0.02 0.00 0.00 54.58 53.44 2kzn n ASN 22 Cb 0.14 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.57 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kzn n ASN 23 N 0.00 -7.03 -4.65 0.53 3.02 0.14 -5.06 115.26 102.20 2kzn n ASN 23 Ca 0.00 -0.12 -0.24 0.00 -0.03 0.00 0.00 54.58 54.18 2kzn n ASN 23 Cb 0.45 -4.26 0.11 0.00 -0.61 0.00 0.00 39.78 35.47 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kzn s GLY 24 N -2.77 1.76 -0.34 7.41 0.00 -0.81 -5.01 107.32 107.57 2kzn s GLY 24 Ca 0.09 -1.56 -0.10 0.00 0.00 0.00 0.00 44.72 43.16 2kzn s GLY 24 CO 0.80 -1.00 0.16 -1.08 0.00 0.00 0.00 173.10 171.98 2kzn s THR 25 N -3.21 4.47 -0.11 0.90 -1.32 -1.26 -4.82 115.64 110.29 2kzn s THR 25 Ca 0.66 -0.68 -0.10 0.00 -1.21 0.00 0.00 61.69 60.36 2kzn s THR 25 Cb -0.06 -3.39 0.03 0.00 -1.51 0.00 0.00 72.50 67.57 2kzn s THR 25 CO 0.45 -0.07 0.30 -1.61 -2.21 0.00 0.00 174.62 171.47 2kzn s GLU 26 N 1.56 0.35 -0.02 7.08 0.41 -1.26 -5.13 118.70 121.69 2kzn s GLU 26 Ca 0.03 0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 54.70 2kzn s GLU 26 Cb -0.18 0.17 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 2kzn s GLU 26 CO 0.06 -0.04 1.21 -1.25 -0.49 0.00 0.00 175.26 174.75 2kzn s PRO 27 N 0.15 4.37 -0.03 0.39 0.04 -1.26 -4.19 135.00 134.46 2kzn s PRO 27 Ca -0.00 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2kzn s PRO 27 Cb -0.02 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 2kzn s PRO 27 CO 0.00 -0.41 0.47 -1.00 0.04 0.00 0.00 177.00 176.11 2kzn h PRO 28 N 7.33 -0.29 0.00 0.56 0.13 -1.83 -3.36 132.00 134.54 2kzn h PRO 28 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kzn h PRO 28 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kzn h PRO 28 CO 0.86 -0.19 -0.71 0.34 -0.23 0.00 0.00 178.00 178.07 2kzn n PHE 29 N -3.95 0.22 -2.52 1.56 7.35 -1.26 -5.03 117.46 113.84 2kzn n PHE 29 Ca -0.04 0.07 -0.02 0.00 -0.76 0.00 0.00 57.45 56.70 2kzn n PHE 29 Cb 0.12 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.55 2kzn n PHE 29 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2kzn n GLN 30 N -1.80 -2.65 -1.91 -4.13 6.02 -1.26 -5.10 117.38 106.55 2kzn n GLN 30 Ca 0.04 2.25 -0.07 0.00 -0.01 0.00 0.00 57.00 59.21 2kzn n GLN 30 Cb 0.39 -4.67 0.01 0.00 1.02 0.00 0.00 30.24 26.99 2kzn n GLN 30 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2kzn n ASN 31 N 0.35 1.09 -0.05 1.08 4.13 -1.26 -5.08 115.26 115.53 2kzn n ASN 31 Ca 0.02 -1.53 -0.01 0.00 1.68 0.00 0.00 54.58 54.74 2kzn n ASN 31 Cb 0.09 -0.07 -0.00 0.00 -1.54 0.00 0.00 39.78 38.26 2kzn n ASN 31 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2kzn h GLU 32 N 0.00 0.00 0.00 3.52 5.08 -2.03 -3.42 114.58 117.73 2kzn h GLU 32 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kzn h GLU 32 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kzn h GLU 32 CO 0.14 0.00 0.00 0.98 -1.00 0.00 0.00 179.01 179.13 2kzn n TYR 33 N -4.60 0.00 -3.28 4.33 9.36 -1.26 -4.97 117.16 116.74 2kzn n TYR 33 Ca -0.01 -0.30 -0.22 0.00 3.32 0.00 0.00 57.90 60.70 2kzn n TYR 33 Cb 0.04 -0.03 0.06 0.00 -0.63 0.00 0.00 39.34 38.77 2kzn n TYR 33 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2kzn n TRP 34 N -0.30 -2.31 -0.22 2.98 8.01 -1.26 -4.72 117.44 119.62 2kzn n TRP 34 Ca 0.00 0.75 0.00 0.00 -1.31 0.00 0.00 57.50 56.94 2kzn n TRP 34 Cb 0.24 -4.54 0.11 0.00 -2.01 0.00 0.00 31.31 25.12 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 2kzn h ASP 35 N -1.99 0.36 -0.80 -0.99 5.19 -1.96 -3.38 116.42 112.85 2kzn h ASP 35 Ca -0.51 0.06 -0.32 0.00 -0.62 0.00 0.00 57.03 55.64 2kzn h ASP 35 Cb 1.34 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.81 2kzn h ASP 35 CO 0.52 0.21 0.80 -1.00 -3.12 0.00 0.00 179.24 176.65 2kzn s HIS 36 N -6.08 1.83 -0.29 4.55 3.76 -1.26 -4.67 115.29 113.13 2kzn s HIS 36 Ca -0.13 0.57 0.11 0.00 -0.15 0.00 0.00 55.06 55.46 2kzn s HIS 36 Cb 0.17 -4.08 0.47 0.00 1.11 0.00 0.00 32.58 30.26 2kzn s HIS 36 CO 0.75 -1.78 1.17 0.36 -0.85 0.00 0.00 174.74 174.39 2kzn n LYS 37 N 8.87 3.16 -1.07 1.40 2.85 -1.26 -4.91 118.16 127.21 2kzn n LYS 37 Ca 0.39 -4.02 -0.18 0.00 -1.05 0.00 0.00 58.31 53.45 2kzn n LYS 37 Cb 0.47 -2.12 0.13 0.00 -0.65 0.00 0.00 35.03 32.86 2kzn n LYS 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kzn n GLU 38 N -0.67 -1.00 -1.63 -1.58 1.02 -1.26 -4.97 120.64 110.55 2kzn n GLU 38 Ca 0.35 -1.21 -0.43 0.00 -0.02 0.00 0.00 57.16 55.85 2kzn n GLU 38 Cb 0.92 -0.85 -0.01 0.00 -0.02 0.00 0.00 31.44 31.49 2kzn n GLU 38 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kzn n GLU 39 N -2.81 1.61 0.00 3.49 0.28 -1.26 -4.80 120.64 117.15 2kzn n GLU 39 Ca 0.10 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 2kzn n GLU 39 Cb 0.35 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.18 2kzn n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kzn n GLY 40 N 1.06 0.68 3.40 -1.84 0.00 -1.26 -4.42 105.19 102.81 2kzn n GLY 40 Ca 0.08 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 2kzn n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 41 N 0.00 2.43 -0.31 0.99 1.43 -0.92 -2.08 118.68 120.22 2kzn s LEU 41 Ca 0.00 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.19 2kzn s LEU 41 Cb 0.00 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.15 2kzn s LEU 41 CO 0.00 0.09 0.06 -0.31 0.23 0.00 0.00 176.35 176.42 2kzn s TYR 42 N -1.71 3.19 0.13 0.29 2.02 -0.53 -1.18 117.35 119.55 2kzn s TYR 42 Ca 0.19 -1.30 0.10 0.00 -0.37 0.00 0.00 57.07 55.69 2kzn s TYR 42 Cb -0.08 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.22 2kzn s TYR 42 CO 0.09 -0.68 -0.25 0.14 -1.57 0.00 0.00 175.55 173.28 2kzn s VAL 43 N 1.42 2.10 -0.67 0.71 -7.23 -0.88 -1.45 120.40 114.41 2kzn s VAL 43 Ca -0.00 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.17 2kzn s VAL 43 Cb -0.18 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2kzn s VAL 43 CO 0.01 0.03 1.26 1.51 -0.31 0.00 0.00 175.10 177.60 2kzn s ASP 44 N -2.07 6.26 0.47 4.85 -4.77 -1.13 -1.37 116.67 118.92 2kzn s ASP 44 Ca 0.12 -0.20 0.23 0.00 -3.30 0.00 0.00 52.55 49.41 2kzn s ASP 44 Cb -0.10 -2.56 1.25 0.00 -1.09 0.00 0.00 42.92 40.43 2kzn s ASP 44 CO 0.06 -1.70 1.87 0.40 0.70 0.00 0.00 175.17 176.49 2kzn h ILE 45 N 6.10 0.62 -1.08 2.11 2.04 -1.37 0.62 117.51 126.55 2kzn h ILE 45 Ca -0.27 -0.08 0.31 0.00 1.00 0.00 0.00 64.86 65.82 2kzn h ILE 45 Cb 1.06 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2kzn h ILE 45 CO 1.24 0.04 0.77 -0.37 0.00 0.00 0.00 178.15 179.83 2kzn h VAL 46 N 0.23 0.47 0.00 1.67 -1.51 -1.91 -3.07 116.25 112.13 2kzn h VAL 46 Ca 0.45 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.90 2kzn h VAL 46 Cb 1.39 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kzn h VAL 46 CO -0.11 0.01 0.00 -0.24 -1.23 0.00 0.00 177.57 176.00 2kzn n SER 47 N -4.28 0.13 -3.80 4.19 2.88 -0.26 -5.03 113.62 107.45 2kzn n SER 47 Ca 0.24 -0.47 -0.27 0.00 -1.33 0.00 0.00 58.87 57.04 2kzn n SER 47 Cb 1.11 0.26 0.04 0.00 -0.75 0.00 0.00 64.21 64.86 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kzn n GLY 48 N 0.26 -0.44 3.71 0.46 0.00 0.20 -5.02 105.19 104.36 2kzn n GLY 48 Ca 0.00 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2kzn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kzn s LYS 49 N -6.37 3.05 -0.06 1.61 -0.14 -1.23 -4.89 119.74 111.70 2kzn s LYS 49 Ca 0.46 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 2kzn s LYS 49 Cb -0.22 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 2kzn s LYS 49 CO 0.81 0.71 1.34 -1.25 -0.76 0.00 0.00 175.35 176.20 2kzn s PRO 50 N -0.93 4.28 -0.07 -1.68 0.05 -1.26 -2.83 135.00 132.55 2kzn s PRO 50 Ca 0.14 1.84 0.01 0.00 0.05 0.00 0.00 61.00 63.03 2kzn s PRO 50 Cb -0.11 -3.66 -0.05 0.00 0.05 0.00 0.00 34.50 30.73 2kzn s PRO 50 CO 0.03 -0.60 -0.06 1.28 0.05 0.00 0.00 177.00 177.70 2kzn n LEU 51 N 5.80 2.79 -4.04 -3.56 4.77 -0.53 -4.56 117.00 117.67 2kzn n LEU 51 Ca 0.13 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2kzn n LEU 51 Cb 0.45 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2kzn n LEU 51 CO 0.57 0.59 -0.29 -0.36 -1.33 0.00 0.00 177.39 176.58 2kzn s PHE 52 N -2.14 0.47 0.09 -1.77 0.08 -0.96 -1.21 117.98 112.54 2kzn s PHE 52 Ca -0.09 -0.97 0.06 0.00 0.12 0.00 0.00 56.93 56.05 2kzn s PHE 52 Cb 0.02 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.12 2kzn s PHE 52 CO 0.17 -0.44 -0.10 -0.08 -0.10 0.00 0.00 175.22 174.68 2kzn s THR 53 N -3.92 3.40 -0.25 0.64 -1.32 -1.26 -1.45 115.64 111.48 2kzn s THR 53 Ca 0.08 -1.19 0.26 0.00 -1.21 0.00 0.00 61.69 59.63 2kzn s THR 53 Cb 0.07 -2.57 0.27 0.00 -1.51 0.00 0.00 72.50 68.76 2kzn s THR 53 CO -0.09 0.16 1.77 -1.28 -2.21 0.00 0.00 174.62 172.97 2kzn h SER 54 N 3.77 0.00 -0.93 8.08 0.87 -1.73 -2.35 113.55 121.26 2kzn h SER 54 Ca -0.49 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2kzn h SER 54 Cb 1.17 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 2kzn h SER 54 CO 0.52 0.00 0.60 0.50 -0.53 0.00 0.00 176.83 177.92 2kzn h LYS 55 N 0.00 0.87 -1.24 2.24 3.64 -1.95 -3.13 116.57 116.99 2kzn h LYS 55 Ca 0.00 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.86 2kzn h LYS 55 Cb 0.25 -0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 31.47 2kzn h LYS 55 CO 0.00 0.57 -0.98 -0.25 -2.27 0.00 0.00 179.45 176.52 2kzn n ASP 56 N -4.56 2.97 -4.79 4.20 8.00 -0.91 -5.11 116.55 116.36 2kzn n ASP 56 Ca 0.17 -3.18 -0.32 0.00 0.71 0.00 0.00 54.79 52.17 2kzn n ASP 56 Cb 0.35 -0.50 0.06 0.00 -0.02 0.00 0.00 41.12 41.01 2kzn n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kzn s LYS 57 N -3.32 2.70 0.41 -1.24 0.00 -1.09 -4.80 119.74 112.41 2kzn s LYS 57 Ca 0.37 1.13 0.04 0.00 0.00 0.00 0.00 55.97 57.51 2kzn s LYS 57 Cb 0.43 -1.95 -0.04 0.00 0.00 0.00 0.00 37.83 36.27 2kzn s LYS 57 CO -0.07 -1.30 0.06 0.12 0.00 0.00 0.00 175.35 174.17 2kzn s PHE 58 N -2.81 1.96 0.47 1.78 5.36 -1.26 -5.08 117.98 118.40 2kzn s PHE 58 Ca 0.61 -1.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.33 2kzn s PHE 58 Cb -0.16 -1.39 -0.09 0.00 -0.34 0.00 0.00 43.02 41.03 2kzn s PHE 58 CO 0.51 0.02 0.96 -3.47 -1.46 0.00 0.00 175.22 171.78 2kzn n ASP 59 N -1.07 0.97 -2.17 6.13 2.03 -1.26 -5.02 116.55 116.15 2kzn n ASP 59 Ca -0.08 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.20 2kzn n ASP 59 Cb 0.66 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2kzn n ASP 59 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kzn n SER 60 N 0.27 0.00 0.00 1.67 3.41 -1.26 -4.21 113.62 113.50 2kzn n SER 60 Ca 0.10 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 2kzn n SER 60 Cb 0.41 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.67 2kzn n SER 60 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2kzn n GLN 61 N 0.00 0.12 0.31 4.33 -0.06 -1.26 -0.95 117.38 119.86 2kzn n GLN 61 Ca 0.00 0.21 0.21 0.00 -2.00 0.00 0.00 57.00 55.41 2kzn n GLN 61 Cb 0.00 -1.50 1.07 0.00 -4.06 0.00 0.00 30.24 25.75 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kzn n GLY 63 N -0.96 4.65 3.06 0.00 0.00 -0.12 -5.16 105.19 106.66 2kzn n GLY 63 Ca -0.02 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 2kzn n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kzn s TRP 64 N -1.60 2.48 -0.25 1.61 0.51 -1.26 -4.77 118.94 115.65 2kzn s TRP 64 Ca 0.00 -1.45 -0.29 0.00 -2.12 0.00 0.00 56.10 52.24 2kzn s TRP 64 Cb 0.00 -1.75 -0.03 0.00 -0.81 0.00 0.00 33.47 30.88 2kzn s TRP 64 CO 0.00 -0.74 1.88 -2.14 -0.51 0.00 0.00 176.95 175.44 2kzn s PRO 65 N 1.39 3.43 -0.72 4.98 0.02 -1.25 -4.94 135.00 137.90 2kzn s PRO 65 Ca 0.04 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 62.75 2kzn s PRO 65 Cb -0.13 -4.21 0.18 0.00 0.02 0.00 0.00 34.50 30.36 2kzn s PRO 65 CO -0.12 -1.74 0.56 -1.54 -0.33 0.00 0.00 177.00 173.83 2kzn s SER 66 N 6.17 5.50 0.33 2.53 1.04 -1.25 -1.63 113.70 126.39 2kzn s SER 66 Ca 0.84 -3.14 0.02 0.00 0.48 0.00 0.00 55.95 54.15 2kzn s SER 66 Cb -0.27 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 2kzn s SER 66 CO 0.34 -0.31 0.50 0.12 0.98 0.00 0.00 173.24 174.87 2kzn s PHE 67 N -0.49 3.42 -0.07 5.02 5.36 -0.59 -4.54 117.98 126.10 2kzn s PHE 67 Ca 0.20 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.35 2kzn s PHE 67 Cb -0.16 -1.86 -0.26 0.00 -0.34 0.00 0.00 43.02 40.41 2kzn s PHE 67 CO -0.06 0.15 0.58 1.79 -1.46 0.00 0.00 175.22 176.21 2kzn h THR 68 N 0.84 0.82 -2.91 0.12 1.35 -1.89 -0.40 112.91 110.83 2kzn h THR 68 Ca -0.50 -2.56 -0.56 0.00 -0.55 0.00 0.00 66.41 62.24 2kzn h THR 68 Cb 1.23 2.54 -0.40 0.00 -1.73 0.00 0.00 68.15 69.79 2kzn h THR 68 CO 0.60 0.75 -0.78 -0.75 -0.25 0.00 0.00 175.52 175.10 2kzn s LYS 69 N -2.58 0.51 0.72 4.72 2.47 -1.26 -4.45 119.74 119.87 2kzn s LYS 69 Ca -0.14 -0.95 -0.04 0.00 -1.56 0.00 0.00 55.97 53.28 2kzn s LYS 69 Cb 0.07 -1.57 0.15 0.00 -1.46 0.00 0.00 37.83 35.02 2kzn s LYS 69 CO 0.81 -1.04 0.98 -0.35 0.16 0.00 0.00 175.35 175.91 2kzn n PRO 70 N 4.81 -0.34 -2.57 4.03 -0.04 -1.26 -5.02 135.00 134.62 2kzn n PRO 70 Ca -0.01 -2.31 -0.42 0.00 -0.04 0.00 0.00 63.50 60.73 2kzn n PRO 70 Cb 0.41 -0.77 -0.03 0.00 -0.04 0.00 0.00 33.50 33.07 2kzn n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kzn s ILE 71 N -3.00 3.94 -0.02 0.52 1.01 -0.35 -4.91 121.20 118.40 2kzn s ILE 71 Ca 0.62 0.79 0.30 0.00 0.00 0.00 0.00 60.65 62.37 2kzn s ILE 71 Cb -0.03 -4.76 0.32 0.00 0.01 0.00 0.00 42.46 38.01 2kzn s ILE 71 CO 0.42 -1.44 1.91 -0.33 0.00 0.00 0.00 174.94 175.50 2kzn h GLU 72 N 9.71 0.00 -0.24 2.79 5.08 -1.90 -2.71 114.58 127.32 2kzn h GLU 72 Ca -0.26 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 2kzn h GLU 72 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2kzn h GLU 72 CO 1.21 0.00 -0.44 0.93 -1.00 0.00 0.00 179.01 179.70 2kzn h GLU 73 N 0.00 0.62 -0.02 2.33 4.39 -1.91 -3.16 114.58 116.83 2kzn h GLU 73 Ca 0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2kzn h GLU 73 Cb 0.25 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kzn h GLU 73 CO 0.00 0.94 -0.07 0.39 -1.16 0.00 0.00 179.01 179.10 2kzn n GLU 74 N -4.01 1.49 -4.09 2.33 -0.58 -1.04 -4.90 120.64 109.84 2kzn n GLU 74 Ca -0.02 -1.39 -0.33 0.00 -0.42 0.00 0.00 57.16 54.99 2kzn n GLU 74 Cb 0.55 -1.33 -0.16 0.00 -0.57 0.00 0.00 31.44 29.93 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kzn s VAL 75 N -1.57 2.23 -0.13 2.62 1.01 -1.11 -4.35 120.40 119.10 2kzn s VAL 75 Ca 0.19 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2kzn s VAL 75 Cb 0.14 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2kzn s VAL 75 CO 0.26 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 175.01 2kzn s GLU 76 N 1.29 1.86 0.00 2.72 2.12 -1.26 -4.69 118.70 120.74 2kzn s GLU 76 Ca 0.03 -0.39 -0.16 0.00 0.36 0.00 0.00 54.97 54.82 2kzn s GLU 76 Cb -0.14 -1.81 -0.06 0.00 0.26 0.00 0.00 34.13 32.38 2kzn s GLU 76 CO -0.11 -0.25 0.44 -1.83 -0.54 0.00 0.00 175.26 172.97 2kzn s GLU 77 N 1.61 4.01 -0.19 4.30 4.04 -1.26 -1.31 118.70 129.90 2kzn s GLU 77 Ca 0.05 0.48 -0.07 0.00 0.04 0.00 0.00 54.97 55.47 2kzn s GLU 77 Cb -0.13 -3.24 0.09 0.00 0.02 0.00 0.00 34.13 30.87 2kzn s GLU 77 CO -0.09 0.63 0.41 -1.59 -1.84 0.00 0.00 175.26 172.78 2kzn s LYS 78 N -0.92 0.31 0.13 -4.83 -2.85 -0.15 -4.97 119.74 106.46 2kzn s LYS 78 Ca 0.25 1.02 -0.31 0.00 -1.00 0.00 0.00 55.97 55.92 2kzn s LYS 78 Cb -0.17 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.83 2kzn s LYS 78 CO 0.14 -0.25 1.39 -1.17 0.10 0.00 0.00 175.35 175.56 2kzn s LEU 79 N 2.60 4.38 -0.11 2.77 2.96 -1.26 -1.65 118.68 128.36 2kzn s LEU 79 Ca -0.01 2.36 -0.04 0.00 -0.22 0.00 0.00 54.13 56.22 2kzn s LEU 79 Cb -0.12 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.03 2kzn s LEU 79 CO -0.12 -0.65 0.13 -0.62 -1.32 0.00 0.00 176.35 173.77 2kzn s ASP 80 N 1.00 1.33 -0.93 3.68 -1.08 -0.09 -4.95 116.67 115.62 2kzn s ASP 80 Ca 0.64 -0.05 -0.24 0.00 -0.52 0.00 0.00 52.55 52.38 2kzn s ASP 80 Cb -0.37 0.06 -0.02 0.00 -1.46 0.00 0.00 42.92 41.13 2kzn s ASP 80 CO 0.31 -0.28 1.82 0.28 0.52 0.00 0.00 175.17 177.82 2kzn s THR 81 N 2.23 3.57 -0.03 1.71 -1.32 -1.26 -2.67 115.64 117.87 2kzn s THR 81 Ca 0.04 -0.46 -0.08 0.00 -1.21 0.00 0.00 61.69 59.98 2kzn s THR 81 Cb -0.14 -4.28 -0.04 0.00 -1.51 0.00 0.00 72.50 66.53 2kzn s THR 81 CO -0.07 -1.21 0.42 0.28 -2.21 0.00 0.00 174.62 171.83 2kzn h SER 82 N 10.93 -0.23 -1.53 8.08 0.02 -1.68 -3.45 113.55 125.69 2kzn h SER 82 Ca 0.12 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.84 2kzn h SER 82 Cb 1.01 0.06 -0.26 0.00 0.14 0.00 0.00 62.40 63.35 2kzn h SER 82 CO 1.27 0.06 -0.58 -1.00 -1.14 0.00 0.00 176.83 175.44 2kzn s HIS 83 N -2.46 -0.93 -0.43 3.45 3.76 -1.26 -4.92 115.29 112.50 2kzn s HIS 83 Ca -0.04 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2kzn s HIS 83 Cb 0.00 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.61 2kzn s HIS 83 CO 0.12 -1.06 0.00 0.41 -0.85 0.00 0.00 174.74 173.36 2kzn n GLY 84 N 4.30 0.60 3.38 -2.22 0.00 -1.26 -4.97 105.19 105.02 2kzn n GLY 84 Ca 0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2kzn n GLY 84 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kzn s MET 85 N -1.75 0.71 -0.10 1.61 0.00 -1.26 -5.16 119.30 113.36 2kzn s MET 85 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 55.69 55.87 2kzn s MET 85 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.12 2kzn s MET 85 CO 0.00 -0.16 0.49 -1.50 0.00 0.00 0.00 175.02 173.85 2kzn s ILE 86 N -0.48 5.15 -0.09 3.16 1.10 -1.26 -1.87 121.20 126.90 2kzn s ILE 86 Ca -0.06 0.99 -0.30 0.00 -0.51 0.00 0.00 60.65 60.77 2kzn s ILE 86 Cb -0.03 -3.83 0.11 0.00 0.15 0.00 0.00 42.46 38.86 2kzn s ILE 86 CO 0.04 0.35 0.88 0.00 -2.11 0.00 0.00 174.94 174.09 2kzn s ARG 87 N 0.43 0.78 -0.05 3.50 1.70 -1.09 -4.99 118.95 119.23 2kzn s ARG 87 Ca 0.27 0.08 -0.03 0.00 -0.47 0.00 0.00 55.73 55.57 2kzn s ARG 87 Cb -0.16 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2kzn s ARG 87 CO 0.11 -0.27 0.11 0.99 -1.08 0.00 0.00 175.30 175.17 2kzn s THR 88 N -1.57 5.06 0.23 4.99 2.01 -1.25 -0.92 115.64 124.19 2kzn s THR 88 Ca -0.03 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.90 2kzn s THR 88 Cb -0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2kzn s THR 88 CO 0.02 0.45 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.43 2kzn s GLU 89 N -1.48 1.44 -0.20 4.92 -1.05 -0.66 -0.88 118.70 120.79 2kzn s GLU 89 Ca 0.20 -1.66 0.01 0.00 -0.15 0.00 0.00 54.97 53.37 2kzn s GLU 89 Cb -0.12 -1.26 0.04 0.00 -0.44 0.00 0.00 34.13 32.35 2kzn s GLU 89 CO 0.11 0.19 -0.09 0.14 0.95 0.00 0.00 175.26 176.55 2kzn s VAL 90 N -2.88 1.60 -0.04 1.83 -7.23 -0.86 -0.97 120.40 111.84 2kzn s VAL 90 Ca 0.25 -1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.11 2kzn s VAL 90 Cb -0.01 -1.70 0.12 0.00 0.56 0.00 0.00 36.38 35.36 2kzn s VAL 90 CO 0.09 0.14 1.24 -0.60 -0.31 0.00 0.00 175.10 175.66 2kzn s ARG 91 N 1.41 0.45 0.33 4.82 6.06 -0.43 -3.05 118.95 128.54 2kzn s ARG 91 Ca -0.02 -0.23 -0.14 0.00 -2.50 0.00 0.00 55.73 52.85 2kzn s ARG 91 Cb -0.16 0.16 -0.08 0.00 0.06 0.00 0.00 34.95 34.93 2kzn s ARG 91 CO -0.08 -0.20 0.72 0.45 -2.50 0.00 0.00 175.30 173.69 2kzn s SER 92 N -2.78 6.72 0.19 -2.12 0.15 -1.26 -4.17 113.70 110.43 2kzn s SER 92 Ca 0.13 1.22 0.24 0.00 0.70 0.00 0.00 55.95 58.23 2kzn s SER 92 Cb 0.03 -2.35 0.91 0.00 -1.71 0.00 0.00 66.02 62.90 2kzn s SER 92 CO -0.04 -0.23 1.72 0.54 1.20 0.00 0.00 173.24 176.44 2kzn n ARG 93 N -0.51 0.18 0.03 5.44 1.74 -1.26 0.18 116.66 122.46 2kzn n ARG 93 Ca 0.03 0.30 -0.14 0.00 -0.77 0.00 0.00 57.85 57.27 2kzn n ARG 93 Cb 0.53 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2kzn n ARG 93 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2kzn h THR 94 N 0.00 1.34 -0.20 0.55 1.35 -2.05 -3.34 112.91 110.57 2kzn h THR 94 Ca 0.00 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2kzn h THR 94 Cb 0.48 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2kzn h THR 94 CO 0.00 0.67 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 2kzn n ALA 95 N -2.56 2.35 0.00 6.62 0.00 -0.19 -4.97 120.51 121.76 2kzn n ALA 95 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.78 2kzn n ALA 95 Cb 0.77 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2kzn n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kzn n ASP 96 N -0.23 0.00 -1.02 0.00 5.75 0.13 -1.28 116.55 119.90 2kzn n ASP 96 Ca 0.12 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.94 2kzn n ASP 96 Cb 0.53 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.75 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kzn n SER 97 N -0.57 1.58 -0.09 -1.12 3.41 -1.26 -4.37 113.62 111.20 2kzn n SER 97 Ca 0.00 -3.19 -0.15 0.00 -0.26 0.00 0.00 58.87 55.27 2kzn n SER 97 Cb 0.15 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.57 2kzn n SER 97 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2kzn h HIS 98 N 1.08 0.00 0.00 7.33 3.86 -1.46 -3.46 115.15 122.51 2kzn h HIS 98 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2kzn h HIS 98 Cb 1.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.81 2kzn h HIS 98 CO 0.55 0.94 0.00 1.28 0.86 0.00 0.00 177.93 181.57 2kzn n LEU 99 N -4.52 0.42 0.00 2.43 4.77 -1.25 -4.89 117.00 113.97 2kzn n LEU 99 Ca -0.21 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2kzn n LEU 99 Cb 0.51 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kzn n LEU 99 CO 0.17 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2kzn n GLY 100 N 0.87 -0.52 3.15 -0.72 0.00 -1.17 -3.36 105.19 103.43 2kzn n GLY 100 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 2kzn n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kzn s HIS 101 N -3.00 0.98 0.10 1.61 3.76 -0.87 -2.03 115.29 115.85 2kzn s HIS 101 Ca 0.00 -0.60 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 2kzn s HIS 101 Cb 0.00 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 2kzn s HIS 101 CO 0.00 -0.02 -0.24 0.14 -0.85 0.00 0.00 174.74 173.77 2kzn s VAL 102 N -2.03 1.99 -0.39 -0.90 -7.23 -0.06 -2.36 120.40 109.43 2kzn s VAL 102 Ca 0.01 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 2kzn s VAL 102 Cb -0.05 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2kzn s VAL 102 CO 0.00 0.08 0.50 -0.36 -0.31 0.00 0.00 175.10 175.02 2kzn s PHE 103 N -1.04 3.15 -1.24 2.82 0.08 -0.76 -3.84 117.98 117.15 2kzn s PHE 103 Ca 0.10 -0.06 0.16 0.00 0.12 0.00 0.00 56.93 57.26 2kzn s PHE 103 Cb -0.10 -2.98 0.77 0.00 -0.57 0.00 0.00 43.02 40.14 2kzn s PHE 103 CO 0.05 -0.65 1.49 -1.71 -0.10 0.00 0.00 175.22 174.30 2kzn n ASN 104 N 5.77 0.00 -0.42 1.36 2.85 -1.26 -1.19 115.26 122.37 2kzn n ASN 104 Ca -0.05 0.25 0.04 0.00 -0.11 0.00 0.00 54.58 54.70 2kzn n ASN 104 Cb 0.48 -0.38 0.11 0.00 1.24 0.00 0.00 39.78 41.23 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kzn n ASP 105 N -1.38 1.22 -4.10 1.20 9.92 -1.26 -4.86 116.55 117.30 2kzn n ASP 105 Ca 0.06 -2.00 -0.25 0.00 -0.53 0.00 0.00 54.79 52.08 2kzn n ASP 105 Cb 0.16 -0.15 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kzn s GLY 106 N -1.01 0.84 0.09 0.44 0.00 -1.07 -5.06 107.32 101.55 2kzn s GLY 106 Ca 0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 2kzn s GLY 106 CO 0.11 -0.25 1.31 2.56 0.00 0.00 0.00 173.10 176.83 2kzn s PRO 107 N 0.14 4.36 0.27 2.90 0.04 -1.26 -3.55 135.00 137.90 2kzn s PRO 107 Ca -0.05 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.73 2kzn s PRO 107 Cb -0.11 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.17 2kzn s PRO 107 CO 0.02 -0.37 0.78 0.20 0.04 0.00 0.00 177.00 177.67 2kzn s GLY 108 N 1.09 -0.04 0.30 0.56 0.00 -1.24 -4.76 107.32 103.24 2kzn s GLY 108 Ca 0.62 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.06 2kzn s GLY 108 CO 0.30 -0.03 1.87 -2.55 0.00 0.00 0.00 173.10 172.69 2kzn h PRO 109 N 2.00 0.93 -0.22 2.90 0.11 -1.83 -1.68 132.00 134.21 2kzn h PRO 109 Ca -0.22 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2kzn h PRO 109 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kzn h PRO 109 CO 0.26 0.62 0.00 -1.71 -0.21 0.00 0.00 178.00 176.96 2kzn n ASN 110 N -4.55 2.66 0.00 -2.05 5.15 -1.26 -4.93 115.26 110.28 2kzn n ASN 110 Ca 0.16 -1.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.28 2kzn n ASN 110 Cb 0.31 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kzn n GLY 111 N 1.34 0.60 3.65 8.20 0.00 -0.63 -5.05 105.19 113.29 2kzn n GLY 111 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2kzn n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 112 N 0.00 3.08 -0.25 0.99 1.43 -1.23 -4.42 118.68 118.27 2kzn s LEU 112 Ca 0.00 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2kzn s LEU 112 Cb 0.00 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2kzn s LEU 112 CO 0.00 -0.16 -0.03 -0.13 0.23 0.00 0.00 176.35 176.26 2kzn s ARG 113 N -3.72 1.53 -0.84 1.70 1.81 -0.33 -3.68 118.95 115.41 2kzn s ARG 113 Ca 0.34 -1.08 -0.25 0.00 -1.72 0.00 0.00 55.73 53.02 2kzn s ARG 113 Cb -0.03 -2.59 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 2kzn s ARG 113 CO 0.20 -0.66 1.50 0.71 -0.68 0.00 0.00 175.30 176.37 2kzn s TYR 114 N 1.37 2.22 -0.73 -0.53 1.51 -0.16 -1.82 117.35 119.21 2kzn s TYR 114 Ca -0.03 -0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 55.71 2kzn s TYR 114 Cb -0.19 -4.51 0.11 0.00 -0.11 0.00 0.00 41.96 37.27 2kzn s TYR 114 CO -0.08 -2.02 0.91 0.00 -1.11 0.00 0.00 175.55 173.25 2kzn s ILE 116 N 2.90 4.83 -0.01 0.00 -1.09 -0.64 -2.04 121.20 125.14 2kzn s ILE 116 Ca 0.21 -0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.31 2kzn s ILE 116 Cb -0.15 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 2kzn s ILE 116 CO 0.02 0.47 1.13 0.54 -1.23 0.00 0.00 174.94 175.87 2kzn s ASN 117 N 0.26 7.15 0.24 3.58 2.20 -1.21 -3.91 114.94 123.24 2kzn s ASN 117 Ca 0.04 1.81 0.23 0.00 -0.94 0.00 0.00 52.86 53.99 2kzn s ASN 117 Cb -0.12 -2.57 0.96 0.00 -2.00 0.00 0.00 41.25 37.52 2kzn s ASN 117 CO 0.00 -0.46 1.68 -1.54 -2.94 0.00 0.00 177.10 173.84 2kzn n SER 118 N 4.50 0.61 0.10 3.54 3.41 -1.26 -1.57 113.62 122.94 2kzn n SER 118 Ca 0.09 0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 59.32 2kzn n SER 118 Cb 0.48 -0.78 0.16 0.00 -0.26 0.00 0.00 64.21 63.81 2kzn n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kzn h ALA 119 N 2.26 0.96 0.00 7.33 0.00 -1.88 -3.07 119.26 124.86 2kzn h ALA 119 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2kzn h ALA 119 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kzn h ALA 119 CO 0.00 0.69 -0.37 0.00 0.00 0.00 0.00 179.25 179.56 2kzn h ALA 120 N 1.28 0.88 -2.31 0.00 0.00 -1.52 -3.40 119.26 114.19 2kzn h ALA 120 Ca 0.00 -0.34 -0.49 0.00 0.00 0.00 0.00 54.91 54.08 2kzn h ALA 120 Cb 1.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2kzn h ALA 120 CO 0.08 0.47 0.10 -0.51 0.00 0.00 0.00 179.25 179.39 2kzn s LEU 121 N -6.74 4.08 -0.04 0.00 1.43 -1.16 -0.93 118.68 115.31 2kzn s LEU 121 Ca 0.02 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2kzn s LEU 121 Cb 0.09 -4.06 0.03 0.00 0.03 0.00 0.00 46.19 42.28 2kzn s LEU 121 CO 0.69 -0.20 0.08 -0.60 0.23 0.00 0.00 176.35 176.56 2kzn s ARG 122 N -2.93 0.00 -0.40 1.70 6.06 -0.47 -4.87 118.95 118.05 2kzn s ARG 122 Ca 0.54 0.31 -0.29 0.00 -2.50 0.00 0.00 55.73 53.79 2kzn s ARG 122 Cb -0.11 -0.26 0.00 0.00 0.06 0.00 0.00 34.95 34.64 2kzn s ARG 122 CO 0.17 -0.20 1.53 -0.59 -2.50 0.00 0.00 175.30 173.71 2kzn s PHE 123 N 1.36 2.21 -0.33 5.12 -0.71 -1.25 -2.06 117.98 122.32 2kzn s PHE 123 Ca -0.06 0.65 -0.05 0.00 -1.04 0.00 0.00 56.93 56.43 2kzn s PHE 123 Cb -0.12 -4.26 0.04 0.00 -1.21 0.00 0.00 43.02 37.47 2kzn s PHE 123 CO -0.04 -2.27 0.07 0.08 -1.34 0.00 0.00 175.22 171.72 2kzn s VAL 124 N 5.94 3.53 0.57 -2.49 1.01 -0.33 -4.95 120.40 123.68 2kzn s VAL 124 Ca 0.66 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2kzn s VAL 124 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 2kzn s VAL 124 CO 0.33 -0.16 0.82 -2.65 0.00 0.00 0.00 175.10 173.43 2kzn n PRO 125 N 4.75 0.82 -0.12 2.72 -0.02 -1.26 -2.16 135.00 139.72 2kzn n PRO 125 Ca -0.13 0.31 0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2kzn n PRO 125 Cb 0.44 -1.99 0.71 0.00 -0.02 0.00 0.00 33.50 32.64 2kzn n PRO 125 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2kzn h LYS 126 N 0.53 0.00 -0.01 -0.52 3.64 -1.94 0.28 116.57 118.55 2kzn h LYS 126 Ca -0.47 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.70 2kzn h LYS 126 Cb 1.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2kzn h LYS 126 CO 0.50 0.00 -0.88 0.45 -2.27 0.00 0.00 179.45 177.26 2kzn h HIS 127 N 0.00 0.49 0.00 1.91 3.86 -1.97 -3.29 115.15 116.15 2kzn h HIS 127 Ca 0.39 -0.26 -0.16 0.00 -1.16 0.00 0.00 60.37 59.18 2kzn h HIS 127 Cb 1.75 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 30.14 2kzn h HIS 127 CO 0.00 1.06 -1.13 0.87 0.86 0.00 0.00 177.93 179.59 2kzn h LYS 128 N 0.20 0.00 -0.07 2.45 1.57 -1.35 -3.21 116.57 116.16 2kzn h LYS 128 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kzn h LYS 128 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2kzn h LYS 128 CO 0.15 0.42 0.04 -0.07 -0.57 0.00 0.00 179.45 179.42 2kzn h LEU 129 N 0.00 0.09 -0.79 2.94 3.38 -1.23 0.15 115.31 119.86 2kzn h LEU 129 Ca -0.11 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2kzn h LEU 129 Cb 1.57 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2kzn h LEU 129 CO 0.06 0.13 -0.55 0.07 0.09 0.00 0.00 178.44 178.24 2kzn h LYS 130 N 0.04 0.16 -0.52 1.13 2.10 -1.70 -0.84 116.57 116.94 2kzn h LYS 130 Ca 0.03 -0.10 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2kzn h LYS 130 Cb 0.06 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 2kzn h LYS 130 CO -0.00 0.67 0.16 1.49 -2.00 0.00 0.00 179.45 179.76 2kzn h GLU 131 N 0.12 0.77 0.00 0.07 4.57 -1.52 -1.97 114.58 116.62 2kzn h GLU 131 Ca -0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2kzn h GLU 131 Cb 1.01 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2kzn h GLU 131 CO 0.08 0.67 0.00 -1.91 -1.18 0.00 0.00 179.01 176.68 2kzn n GLU 132 N -4.31 0.60 -2.35 1.92 4.07 0.52 -4.91 120.64 116.19 2kzn n GLU 132 Ca 0.04 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.13 2kzn n GLU 132 Cb 0.20 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kzn n GLY 133 N 1.19 0.70 2.36 8.31 0.00 -0.74 -5.02 105.19 111.99 2kzn n GLY 133 Ca 0.17 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2kzn n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kzn n TYR 134 N -3.09 1.37 0.24 1.61 4.01 -0.39 -4.88 117.16 116.03 2kzn n TYR 134 Ca -0.00 -3.83 0.18 0.00 -0.16 0.00 0.00 57.90 54.09 2kzn n TYR 134 Cb 0.50 -0.44 0.88 0.00 -0.31 0.00 0.00 39.34 39.97 2kzn n TYR 134 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2kzn h GLU 135 N 3.63 0.00 0.00 -0.72 4.39 -1.89 -2.27 114.58 117.71 2kzn h GLU 135 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kzn h GLU 135 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2kzn h GLU 135 CO 0.61 0.00 0.00 1.03 -1.16 0.00 0.00 179.01 179.49 2kzn h SER 136 N 0.00 0.00 0.72 1.42 0.87 -1.96 -2.36 113.55 112.23 2kzn h SER 136 Ca 0.07 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.37 2kzn h SER 136 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2kzn h SER 136 CO -0.00 0.00 -1.30 1.88 -0.53 0.00 0.00 176.83 176.88 2kzn h TYR 137 N 0.00 0.18 -0.24 2.24 -1.99 -1.81 -3.30 116.97 112.05 2kzn h TYR 137 Ca 0.00 -0.13 -0.17 0.00 2.00 0.00 0.00 58.73 60.42 2kzn h TYR 137 Cb 0.60 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.32 2kzn h TYR 137 CO 0.00 1.13 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.68 2kzn h LEU 138 N 0.03 0.81 -1.72 3.88 4.07 -1.53 -3.05 115.31 117.80 2kzn h LEU 138 Ca -0.14 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2kzn h LEU 138 Cb 1.90 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.41 2kzn h LEU 138 CO 0.14 1.20 0.00 -0.74 -1.08 0.00 0.00 178.44 177.95 2kzn h HIS 139 N 0.56 0.00 -0.01 1.13 2.76 -1.51 0.17 115.15 118.25 2kzn h HIS 139 Ca 0.01 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2kzn h HIS 139 Cb 1.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2kzn h HIS 139 CO 0.06 0.00 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.43 2kzn h LEU 140 N 0.00 0.18 0.00 0.26 3.38 -1.63 -3.41 115.31 114.08 2kzn h LEU 140 Ca 0.00 -0.75 -0.22 0.00 0.09 0.00 0.00 57.88 57.00 2kzn h LEU 140 Cb 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2kzn h LEU 140 CO 0.00 0.90 -1.83 2.22 0.09 0.00 0.00 178.44 179.82 2kzn n PHE 141 N -4.56 0.00 -3.72 1.13 -1.74 -1.10 -5.02 117.46 102.44 2kzn n PHE 141 Ca -0.09 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.56 2kzn n PHE 141 Cb 0.46 -0.57 -0.02 0.00 1.52 0.00 0.00 39.48 40.88 2kzn n PHE 141 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 2kzn s ASN 142 N -5.33 6.33 -0.05 5.98 3.84 0.59 -5.13 114.94 121.19 2kzn s ASN 142 Ca -0.18 0.28 -0.02 0.00 0.21 0.00 0.00 52.86 53.15 2kzn s ASN 142 Cb 0.05 -1.96 0.04 0.00 -0.55 0.00 0.00 41.25 38.83 2kzn s ASN 142 CO 0.35 -0.11 0.09 -1.59 -2.79 0.00 0.00 177.10 173.05 2kzn s LYS 143 N -3.82 0.03 -0.29 0.43 0.00 -1.26 -3.89 119.74 110.94 2kzn s LYS 143 Ca 0.37 0.30 -0.01 0.00 0.00 0.00 0.00 55.97 56.63 2kzn s LYS 143 Cb -0.10 -0.22 0.09 0.00 0.00 0.00 0.00 37.83 37.60 2kzn s LYS 143 CO 0.31 -0.18 0.08 -1.17 0.00 0.00 0.00 175.35 174.39 2kzn s LEU 144 N 1.19 2.17 0.00 2.77 1.98 -1.26 -4.89 118.68 120.64 2kzn s LEU 144 Ca -0.08 -1.50 0.00 0.00 -2.89 0.00 0.00 54.13 49.65 2kzn s LEU 144 Cb -0.12 -0.87 0.00 0.00 0.66 0.00 0.00 46.19 45.86 2kzn s LEU 144 CO -0.05 -0.39 0.00 -1.84 -1.89 0.00 0.00 176.35 172.19 2kzn n GLU 145 N 4.85 4.27 -1.91 1.98 0.00 -1.26 -4.94 120.64 123.63 2kzn n GLU 145 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.70 2kzn n GLU 145 Cb 0.43 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 31.31 2kzn n GLU 145 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kzn n HIS 146 N -0.28 3.71 -0.78 -1.84 8.25 -1.26 -5.40 115.22 117.62 2kzn n HIS 146 Ca 0.00 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 2kzn n HIS 146 Cb 0.01 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 28.58 2kzn n HIS 146 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70