#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 -3.06 -2.17 -5.12 0.00 -1.26 -4.86 120.51 104.04 2kzn n ALA 2 Ca 0.00 1.01 -0.32 0.00 0.00 0.00 0.00 53.44 54.12 2kzn n ALA 2 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 19.45 16.22 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 -2.35 1.94 0.71 0.00 1.51 -1.26 -4.99 117.35 112.91 2kzn s TYR 3 Ca 0.20 0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 56.50 2kzn s TYR 3 Cb -0.06 -4.21 0.02 0.00 -0.11 0.00 0.00 41.96 37.61 2kzn s TYR 3 CO 0.69 -1.91 1.07 1.21 -1.11 0.00 0.00 175.55 175.50 2kzn s ASN 4 N 7.23 5.12 0.41 2.29 2.47 -1.26 -4.82 114.94 126.38 2kzn s ASN 4 Ca 0.63 1.72 0.17 0.00 0.42 0.00 0.00 52.86 55.79 2kzn s ASN 4 Cb -0.07 -2.51 1.05 0.00 -1.45 0.00 0.00 41.25 38.28 2kzn s ASN 4 CO 0.03 -1.62 1.85 0.07 -3.72 0.00 0.00 177.10 173.71 2kzn h LYS 5 N -0.71 0.43 -0.13 0.43 2.10 -1.99 0.25 116.57 116.96 2kzn h LYS 5 Ca -0.44 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 2kzn h LYS 5 Cb 1.22 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2kzn h LYS 5 CO 0.55 0.28 -0.05 0.93 -2.00 0.00 0.00 179.45 179.16 2kzn h GLU 6 N 0.44 0.26 -0.35 0.07 4.39 -1.99 -1.64 114.58 115.76 2kzn h GLU 6 Ca 0.48 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 2kzn h GLU 6 Cb 1.15 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2kzn h GLU 6 CO -0.19 0.59 -0.04 1.49 -1.16 0.00 0.00 179.01 179.70 2kzn h GLU 7 N -0.08 0.56 0.42 2.33 4.81 -1.58 -1.41 114.58 119.64 2kzn h GLU 7 Ca 0.03 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2kzn h GLU 7 Cb 0.51 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kzn h GLU 7 CO 0.02 0.62 -0.20 0.87 -0.73 0.00 0.00 179.01 179.58 2kzn h LYS 8 N 0.53 -0.54 -0.11 1.92 1.57 -0.95 -2.25 116.57 116.75 2kzn h LYS 8 Ca 0.11 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kzn h LYS 8 Cb 0.40 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2kzn h LYS 8 CO 0.02 -0.23 0.07 0.82 -0.57 0.00 0.00 179.45 179.55 2kzn h ILE 9 N -0.89 1.03 -0.29 1.86 1.08 -1.25 0.13 117.51 119.18 2kzn h ILE 9 Ca -0.06 -0.05 -0.17 0.00 -0.39 0.00 0.00 64.86 64.19 2kzn h ILE 9 Cb 0.56 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2kzn h ILE 9 CO 0.09 0.03 -0.48 0.50 -0.69 0.00 0.00 178.15 177.61 2kzn h LYS 10 N 0.14 0.83 0.32 2.37 3.64 -1.19 -1.03 116.57 121.66 2kzn h LYS 10 Ca 0.04 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2kzn h LYS 10 Cb -0.02 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2kzn h LYS 10 CO -0.01 1.14 -0.15 1.03 -2.27 0.00 0.00 179.45 179.19 2kzn h SER 11 N 0.60 -0.36 -0.20 4.20 0.87 -0.83 -3.27 113.55 114.55 2kzn h SER 11 Ca 0.02 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2kzn h SER 11 Cb 1.08 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.07 2kzn h SER 11 CO 0.11 0.03 -0.52 0.25 -0.53 0.00 0.00 176.83 176.17 2kzn h LEU 12 N -1.02 -1.67 -1.54 2.23 5.85 -0.87 -3.00 115.31 115.29 2kzn h LEU 12 Ca -0.04 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2kzn h LEU 12 Cb 0.33 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2kzn h LEU 12 CO 0.07 -0.44 -0.12 0.78 -0.34 0.00 0.00 178.44 178.40 2kzn h ASN 13 N -0.50 0.14 0.02 1.25 -0.26 -1.37 -2.39 115.58 112.47 2kzn h ASN 13 Ca 0.04 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2kzn h ASN 13 Cb 0.62 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 2kzn h ASN 13 CO -0.46 0.28 -0.01 -0.09 -1.06 0.00 0.00 177.43 176.09 2kzn h ARG 14 N 0.14 -0.02 -0.21 0.81 2.43 -1.58 -0.76 114.38 115.19 2kzn h ARG 14 Ca 0.03 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2kzn h ARG 14 Cb 0.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kzn h ARG 14 CO 0.02 0.13 -0.18 1.98 -1.51 0.00 0.00 179.97 180.40 2kzn h MET 15 N -0.17 0.49 0.00 0.20 4.05 -1.36 -2.28 114.93 115.86 2kzn h MET 15 Ca -0.00 -0.25 -0.20 0.00 -0.28 0.00 0.00 59.70 58.97 2kzn h MET 15 Cb 0.16 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 2kzn h MET 15 CO 0.00 0.82 -0.96 -0.56 0.23 0.00 0.00 176.91 176.45 2kzn h GLN 16 N 0.17 0.00 -0.48 0.39 3.07 -1.52 -3.00 115.11 113.73 2kzn h GLN 16 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.82 2kzn h GLN 16 Cb 0.72 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.24 2kzn h GLN 16 CO 0.05 0.96 0.23 -0.92 0.09 0.00 0.00 178.83 179.24 2kzn h TYR 17 N 0.00 0.43 -0.78 0.06 3.20 -1.14 -0.90 116.97 117.84 2kzn h TYR 17 Ca -0.01 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.99 2kzn h TYR 17 Cb 1.74 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.83 2kzn h TYR 17 CO 0.00 0.20 0.51 1.49 -1.64 0.00 0.00 178.16 178.73 2kzn h GLU 18 N 0.46 0.62 0.22 1.82 4.81 -1.31 0.15 114.58 121.36 2kzn h GLU 18 Ca 0.21 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2kzn h GLU 18 Cb 0.14 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kzn h GLU 18 CO -0.16 0.41 -0.11 0.28 -0.73 0.00 0.00 179.01 178.70 2kzn h VAL 19 N 0.64 0.00 0.00 0.32 2.07 -1.30 -3.05 116.25 114.93 2kzn h VAL 19 Ca 0.37 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2kzn h VAL 19 Cb 0.56 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2kzn h VAL 19 CO -0.14 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.40 2kzn h THR 20 N -0.82 0.38 0.02 2.57 1.03 -1.07 0.46 112.91 115.47 2kzn h THR 20 Ca -0.03 -0.29 -0.23 0.00 -0.01 0.00 0.00 66.41 65.85 2kzn h THR 20 Cb 0.23 1.21 0.02 0.00 -1.07 0.00 0.00 68.15 68.53 2kzn h THR 20 CO 0.05 0.05 -0.91 -0.61 -0.01 0.00 0.00 175.52 174.10 2kzn h GLN 21 N 0.00 0.58 0.00 0.00 5.75 -1.08 -3.32 115.11 117.04 2kzn h GLN 21 Ca -0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 58.65 57.85 2kzn h GLN 21 Cb 0.20 0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2kzn h GLN 21 CO 0.01 1.26 -1.11 0.09 -2.65 0.00 0.00 178.83 176.43 2kzn n ASN 22 N -3.99 0.64 -3.18 -0.69 3.02 -0.97 -4.96 115.26 105.13 2kzn n ASN 22 Ca -0.11 -0.43 -0.23 0.00 -0.03 0.00 0.00 54.58 53.78 2kzn n ASN 22 Cb 0.82 0.97 0.05 0.00 -0.61 0.00 0.00 39.78 41.02 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kzn n ASN 23 N -1.82 -6.20 -4.21 6.41 3.02 0.15 -5.02 115.26 107.59 2kzn n ASN 23 Ca 0.02 -0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 2kzn n ASN 23 Cb 0.41 -4.95 0.18 0.00 -0.61 0.00 0.00 39.78 34.81 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 -2.93 1.79 -0.20 7.41 0.00 -0.43 -5.00 107.32 107.96 2kzn s GLY 24 Ca 0.40 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 2kzn s GLY 24 CO 0.50 -0.64 -0.03 -1.59 0.00 0.00 0.00 173.10 171.34 2kzn s THR 25 N -3.74 3.67 0.36 0.90 2.01 -1.26 -4.82 115.64 112.77 2kzn s THR 25 Ca 0.73 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.08 2kzn s THR 25 Cb -0.03 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 2kzn s THR 25 CO 0.51 0.44 1.00 -0.70 -0.69 0.00 0.00 174.62 175.18 2kzn s GLU 26 N 1.09 4.37 0.13 4.92 2.12 -1.26 -5.03 118.70 125.04 2kzn s GLU 26 Ca 0.02 1.41 -0.34 0.00 0.36 0.00 0.00 54.97 56.42 2kzn s GLU 26 Cb -0.15 -2.65 -0.14 0.00 0.26 0.00 0.00 34.13 31.45 2kzn s GLU 26 CO 0.01 0.06 1.56 -2.30 -0.54 0.00 0.00 175.26 174.05 2kzn n PRO 27 N 0.20 2.00 -1.44 4.30 -0.02 -1.26 -4.80 135.00 133.99 2kzn n PRO 27 Ca 0.04 0.72 -0.48 0.00 -2.02 0.00 0.00 63.50 61.75 2kzn n PRO 27 Cb 0.50 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 2kzn n PRO 27 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kzn n PRO 28 N 3.52 0.70 0.00 0.52 -0.02 -1.26 -4.57 135.00 133.89 2kzn n PRO 28 Ca 0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2kzn n PRO 28 Cb 0.27 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2kzn n PRO 28 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kzn n PHE 29 N 10.42 -0.51 -1.44 6.00 7.35 -1.26 -4.86 117.46 133.16 2kzn n PHE 29 Ca 0.47 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 57.08 2kzn n PHE 29 Cb 0.19 0.27 0.19 0.00 0.35 0.00 0.00 39.48 40.48 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 -2.04 1.95 -1.83 -4.13 1.13 -1.26 -4.95 117.38 106.26 2kzn n GLN 30 Ca 0.00 -3.20 -0.29 0.00 -1.94 0.00 0.00 57.00 51.57 2kzn n GLN 30 Cb 0.00 -1.90 0.15 0.00 0.11 0.00 0.00 30.24 28.60 2kzn n GLN 30 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2kzn s ASN 31 N -2.37 3.59 0.48 1.08 3.84 -1.26 -4.03 114.94 116.26 2kzn s ASN 31 Ca 0.47 0.57 0.13 0.00 0.21 0.00 0.00 52.86 54.24 2kzn s ASN 31 Cb 0.42 -0.86 1.11 0.00 -0.55 0.00 0.00 41.25 41.37 2kzn s ASN 31 CO 0.01 -2.46 2.10 -0.33 -2.79 0.00 0.00 177.10 173.63 2kzn h GLU 32 N -1.45 0.16 -0.90 0.43 4.39 -1.96 -2.10 114.58 113.15 2kzn h GLU 32 Ca -0.46 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.38 2kzn h GLU 32 Cb 1.29 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 2kzn h GLU 32 CO 0.52 0.13 0.58 -0.92 -1.16 0.00 0.00 179.01 178.16 2kzn h TYR 33 N 0.17 0.83 0.00 4.33 3.20 -2.00 -0.24 116.97 123.27 2kzn h TYR 33 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2kzn h TYR 33 Cb 0.03 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2kzn h TYR 33 CO 0.00 0.30 0.00 0.91 -1.64 0.00 0.00 178.16 177.73 2kzn n TRP 34 N -4.57 0.72 0.02 -3.82 7.02 -0.79 -4.35 117.44 111.67 2kzn n TRP 34 Ca 0.18 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.92 2kzn n TRP 34 Cb 0.48 -0.92 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2kzn n ASP 35 N -2.14 0.24 0.00 -0.99 5.75 -0.95 -4.91 116.55 113.56 2kzn n ASP 35 Ca 0.03 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2kzn n ASP 35 Cb 0.27 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2kzn n ASP 35 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2kzn n HIS 36 N -2.81 0.00 -0.04 2.11 -0.00 -0.14 -0.78 115.22 113.56 2kzn n HIS 36 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 2kzn n HIS 36 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 2kzn n HIS 36 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2kzn h LYS 37 N 0.00 0.21 -6.98 1.57 3.64 -1.87 -3.47 116.57 109.67 2kzn h LYS 37 Ca 0.00 -0.07 -0.56 0.00 -1.27 0.00 0.00 60.65 58.75 2kzn h LYS 37 Cb 0.00 -0.02 0.15 0.00 -0.41 0.00 0.00 32.23 31.95 2kzn h LYS 37 CO 0.00 0.46 0.45 -1.91 -2.27 0.00 0.00 179.45 176.18 2kzn n GLU 38 N -4.79 1.40 -3.40 1.90 4.07 0.04 -5.01 120.64 114.84 2kzn n GLU 38 Ca -0.06 0.52 -0.38 0.00 -0.06 0.00 0.00 57.16 57.19 2kzn n GLU 38 Cb 0.21 -2.44 -0.06 0.00 -0.06 0.00 0.00 31.44 29.08 2kzn n GLU 38 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2kzn s GLU 39 N -2.88 4.19 0.00 5.31 1.03 -1.26 -4.58 118.70 120.51 2kzn s GLU 39 Ca 0.74 0.40 0.00 0.00 0.03 0.00 0.00 54.97 56.14 2kzn s GLU 39 Cb -0.42 -3.36 0.00 0.00 -0.80 0.00 0.00 34.13 29.55 2kzn s GLU 39 CO 0.48 0.36 0.00 0.41 -1.33 0.00 0.00 175.26 175.17 2kzn n GLY 40 N 2.76 -0.25 3.96 -3.83 0.00 -1.26 -2.35 105.19 104.22 2kzn n GLY 40 Ca -0.10 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 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 2.98 -0.19 0.99 1.43 -0.58 -1.56 118.68 121.77 2kzn s LEU 41 Ca 0.00 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2kzn s LEU 41 Cb 0.00 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.77 2kzn s LEU 41 CO 0.00 -1.15 0.16 -0.47 0.23 0.00 0.00 176.35 175.12 2kzn s TYR 42 N -2.68 -0.07 0.19 0.29 5.04 -0.05 -1.51 117.35 118.56 2kzn s TYR 42 Ca 0.49 -0.01 0.09 0.00 -2.44 0.00 0.00 57.07 55.19 2kzn s TYR 42 Cb -0.04 -0.51 -0.04 0.00 0.35 0.00 0.00 41.96 41.72 2kzn s TYR 42 CO 0.30 -0.56 -0.18 0.14 -1.34 0.00 0.00 175.55 173.91 2kzn s VAL 43 N 2.24 1.91 -0.42 3.14 -7.23 -0.39 -3.17 120.40 116.48 2kzn s VAL 43 Ca 0.05 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 57.90 2kzn s VAL 43 Cb -0.16 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2kzn s VAL 43 CO -0.11 -0.37 1.79 1.51 -0.31 0.00 0.00 175.10 177.62 2kzn s ASP 44 N -2.88 5.73 0.51 4.85 -4.77 -1.24 -0.02 116.67 118.85 2kzn s ASP 44 Ca 0.19 0.98 0.27 0.00 -3.30 0.00 0.00 52.55 50.69 2kzn s ASP 44 Cb -0.05 -2.53 1.37 0.00 -1.09 0.00 0.00 42.92 40.63 2kzn s ASP 44 CO 0.08 -1.89 1.92 0.40 0.70 0.00 0.00 175.17 176.38 2kzn h ILE 45 N 6.81 0.65 -0.77 2.11 2.04 -1.54 0.30 117.51 127.12 2kzn h ILE 45 Ca -0.31 -0.03 0.20 0.00 1.00 0.00 0.00 64.86 65.73 2kzn h ILE 45 Cb 1.16 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2kzn h ILE 45 CO 1.09 0.01 0.53 -0.37 0.00 0.00 0.00 178.15 179.42 2kzn h VAL 46 N 0.08 0.67 0.00 1.67 -1.51 -1.90 -3.34 116.25 111.92 2kzn h VAL 46 Ca 0.37 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 2kzn h VAL 46 Cb 1.35 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2kzn h VAL 46 CO -0.03 0.03 -0.19 -1.20 -1.23 0.00 0.00 177.57 174.94 2kzn n SER 47 N -4.38 0.72 -0.33 4.19 7.64 -0.92 -5.03 113.62 115.50 2kzn n SER 47 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2kzn n SER 47 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kzn n GLY 48 N 1.87 0.81 3.84 0.23 0.00 0.10 -5.07 105.19 106.97 2kzn n GLY 48 Ca 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.17 3.75 -0.03 1.61 -0.14 -1.25 -4.92 119.74 116.59 2kzn s LYS 49 Ca 0.00 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.39 2kzn s LYS 49 Cb 0.00 -3.25 -0.07 0.00 -1.68 0.00 0.00 37.83 32.84 2kzn s LYS 49 CO 0.00 0.65 1.76 -2.14 -0.76 0.00 0.00 175.35 174.86 2kzn s PRO 50 N -0.76 4.15 -0.06 -1.68 0.02 -1.26 -3.67 135.00 131.75 2kzn s PRO 50 Ca 0.18 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 2kzn s PRO 50 Cb -0.14 -4.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.31 2kzn s PRO 50 CO 0.07 -0.90 -0.07 1.28 -0.33 0.00 0.00 177.00 177.05 2kzn n LEU 51 N 7.32 1.22 -3.73 -5.54 4.77 -1.25 -4.70 117.00 115.08 2kzn n LEU 51 Ca 0.18 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 2kzn n LEU 51 Cb 0.42 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2kzn n LEU 51 CO 0.64 0.27 0.57 0.72 -1.33 0.00 0.00 177.39 178.26 2kzn s PHE 52 N -2.11 -0.23 0.01 -1.77 -0.12 -1.19 -0.01 117.98 112.56 2kzn s PHE 52 Ca -0.08 -0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.66 2kzn s PHE 52 Cb 0.03 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2kzn s PHE 52 CO 0.11 -0.97 0.20 -0.08 -0.05 0.00 0.00 175.22 174.42 2kzn s THR 53 N -3.59 5.42 0.41 -4.49 -1.32 -1.26 -0.88 115.64 109.93 2kzn s THR 53 Ca 0.10 -0.18 0.38 0.00 -1.21 0.00 0.00 61.69 60.77 2kzn s THR 53 Cb -0.03 -3.56 0.39 0.00 -1.51 0.00 0.00 72.50 67.78 2kzn s THR 53 CO 0.01 0.29 2.17 -1.28 -2.21 0.00 0.00 174.62 173.60 2kzn h SER 54 N 3.66 0.00 -0.13 8.08 0.87 -1.47 -1.76 113.55 122.80 2kzn h SER 54 Ca -0.48 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.88 2kzn h SER 54 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kzn h SER 54 CO 0.70 0.00 -0.68 0.50 -0.53 0.00 0.00 176.83 176.82 2kzn h LYS 55 N 0.00 0.75 -0.01 2.24 3.11 -1.81 -3.11 116.57 117.74 2kzn h LYS 55 Ca 0.00 -0.56 0.00 0.00 -2.81 0.00 0.00 60.65 57.28 2kzn h LYS 55 Cb 0.03 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2kzn h LYS 55 CO 0.00 1.18 0.00 -3.47 -2.81 0.00 0.00 179.45 174.35 2kzn n ASP 56 N -3.95 0.25 -4.71 4.20 2.03 -0.68 -4.79 116.55 108.92 2kzn n ASP 56 Ca -0.06 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.70 2kzn n ASP 56 Cb 0.69 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.05 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kzn s LYS 57 N -1.99 4.44 -0.06 -0.67 2.20 -1.13 -4.14 119.74 118.38 2kzn s LYS 57 Ca 0.43 1.04 0.04 0.00 -0.36 0.00 0.00 55.97 57.12 2kzn s LYS 57 Cb 0.20 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2kzn s LYS 57 CO 0.34 -0.04 -0.17 -0.59 -0.36 0.00 0.00 175.35 174.52 2kzn s PHE 58 N 1.12 1.82 0.05 4.03 -0.71 -0.86 -5.02 117.98 118.41 2kzn s PHE 58 Ca 0.41 -0.61 -0.22 0.00 -1.04 0.00 0.00 56.93 55.47 2kzn s PHE 58 Cb -0.18 -1.25 -0.06 0.00 -1.21 0.00 0.00 43.02 40.32 2kzn s PHE 58 CO 0.19 -0.24 0.67 0.16 -1.34 0.00 0.00 175.22 174.66 2kzn s ASP 59 N 0.26 7.13 0.10 1.98 -4.77 -1.26 -1.32 116.67 118.79 2kzn s ASP 59 Ca -0.10 1.35 0.07 0.00 -3.30 0.00 0.00 52.55 50.57 2kzn s ASP 59 Cb -0.14 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2kzn s ASP 59 CO 0.04 0.13 -0.08 -0.94 0.70 0.00 0.00 175.17 175.02 2kzn s SER 60 N -0.50 4.52 0.00 2.11 1.04 -1.24 -4.96 113.70 114.67 2kzn s SER 60 Ca 0.33 -0.35 0.14 0.00 0.48 0.00 0.00 55.95 56.56 2kzn s SER 60 Cb -0.20 -0.90 0.64 0.00 0.10 0.00 0.00 66.02 65.66 2kzn s SER 60 CO 0.21 0.18 1.45 1.67 0.98 0.00 0.00 173.24 177.72 2kzn n GLN 61 N 0.66 0.05 0.27 4.02 7.27 -1.26 -1.82 117.38 126.58 2kzn n GLN 61 Ca -0.13 0.23 0.11 0.00 0.07 0.00 0.00 57.00 57.28 2kzn n GLN 61 Cb 0.52 -1.50 0.75 0.00 2.41 0.00 0.00 30.24 32.43 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kzn n GLY 63 N -1.45 3.53 3.88 0.00 0.00 -0.75 -5.11 105.19 105.28 2kzn n GLY 63 Ca -0.03 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 3.43 0.88 1.61 0.51 -1.26 -4.81 118.94 119.30 2kzn s TRP 64 Ca 0.00 0.84 -0.12 0.00 -2.12 0.00 0.00 56.10 54.70 2kzn s TRP 64 Cb 0.00 -2.24 0.12 0.00 -0.81 0.00 0.00 33.47 30.54 2kzn s TRP 64 CO 0.00 0.27 1.10 -1.25 -0.51 0.00 0.00 176.95 176.56 2kzn s PRO 65 N -2.87 1.43 0.01 4.98 0.04 -1.26 -3.61 135.00 133.72 2kzn s PRO 65 Ca 0.47 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2kzn s PRO 65 Cb -0.11 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2kzn s PRO 65 CO 0.22 -2.06 -0.02 -1.12 0.04 0.00 0.00 177.00 174.06 2kzn s SER 66 N -3.74 0.22 0.10 6.66 0.01 -0.44 -3.17 113.70 113.34 2kzn s SER 66 Ca 0.63 -0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.85 2kzn s SER 66 Cb -0.16 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2kzn s SER 66 CO 0.55 -0.05 -0.25 -0.36 0.41 0.00 0.00 173.24 173.54 2kzn s PHE 67 N -0.36 2.19 -0.08 2.43 0.40 -0.72 -2.03 117.98 119.80 2kzn s PHE 67 Ca -0.03 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 2kzn s PHE 67 Cb -0.03 -1.23 -0.29 0.00 0.51 0.00 0.00 43.02 41.99 2kzn s PHE 67 CO -0.00 0.25 0.56 1.15 0.70 0.00 0.00 175.22 177.87 2kzn h THR 68 N 4.04 0.87 -1.20 0.64 2.02 -1.83 -2.84 112.91 114.60 2kzn h THR 68 Ca -0.48 -2.44 -0.02 0.00 0.77 0.00 0.00 66.41 64.24 2kzn h THR 68 Cb 1.16 2.68 -0.23 0.00 -1.74 0.00 0.00 68.15 70.02 2kzn h THR 68 CO 0.41 0.83 -0.40 -1.59 0.37 0.00 0.00 175.52 175.14 2kzn s LYS 69 N -2.55 0.52 0.80 6.66 0.00 -1.26 -4.14 119.74 119.76 2kzn s LYS 69 Ca -0.19 0.52 -0.08 0.00 0.00 0.00 0.00 55.97 56.22 2kzn s LYS 69 Cb 0.06 0.14 0.13 0.00 0.00 0.00 0.00 37.83 38.15 2kzn s LYS 69 CO 0.81 -0.97 1.11 -1.25 0.00 0.00 0.00 175.35 175.06 2kzn s PRO 70 N 2.76 1.53 -0.23 1.78 0.04 -1.26 -4.92 135.00 134.69 2kzn s PRO 70 Ca 0.12 -0.54 -0.29 0.00 0.04 0.00 0.00 61.00 60.33 2kzn s PRO 70 Cb -0.11 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2kzn s PRO 70 CO -0.26 -1.69 1.88 0.42 0.04 0.00 0.00 177.00 177.39 2kzn s ILE 71 N -3.44 3.36 -0.28 0.56 1.01 0.98 -4.87 121.20 118.53 2kzn s ILE 71 Ca 0.66 0.39 0.27 0.00 0.00 0.00 0.00 60.65 61.98 2kzn s ILE 71 Cb -0.07 -3.42 0.30 0.00 0.01 0.00 0.00 42.46 39.28 2kzn s ILE 71 CO 0.47 -0.22 1.81 -0.33 0.00 0.00 0.00 174.94 176.67 2kzn h GLU 72 N 12.64 0.00 -0.45 2.79 5.08 -1.86 -3.07 114.58 129.72 2kzn h GLU 72 Ca -0.37 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2kzn h GLU 72 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2kzn h GLU 72 CO 0.99 0.00 0.18 1.49 -1.00 0.00 0.00 179.01 180.67 2kzn h GLU 73 N 0.00 0.35 0.00 2.33 4.57 -1.93 -3.25 114.58 116.65 2kzn h GLU 73 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2kzn h GLU 73 Cb 0.44 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2kzn h GLU 73 CO 0.00 0.23 -0.15 0.39 -1.18 0.00 0.00 179.01 178.30 2kzn n GLU 74 N -4.98 0.95 -4.15 1.92 1.02 -1.20 -4.96 120.64 109.23 2kzn n GLU 74 Ca 0.03 -2.19 -0.33 0.00 -0.02 0.00 0.00 57.16 54.66 2kzn n GLU 74 Cb 0.16 -1.23 -0.16 0.00 -0.02 0.00 0.00 31.44 30.19 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kzn s VAL 75 N -2.12 2.23 -0.09 2.62 1.01 -1.16 -4.64 120.40 118.24 2kzn s VAL 75 Ca 0.24 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2kzn s VAL 75 Cb 0.21 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2kzn s VAL 75 CO 0.02 0.53 -0.16 -0.70 0.00 0.00 0.00 175.10 174.79 2kzn s GLU 76 N 1.26 2.18 -0.03 2.72 2.12 -1.26 -4.74 118.70 120.95 2kzn s GLU 76 Ca 0.04 -0.56 -0.15 0.00 0.36 0.00 0.00 54.97 54.66 2kzn s GLU 76 Cb -0.13 -1.79 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 2kzn s GLU 76 CO -0.11 0.01 0.39 -1.83 -0.54 0.00 0.00 175.26 173.18 2kzn s GLU 77 N 0.78 3.97 -0.02 4.30 -1.05 -1.26 -0.50 118.70 124.90 2kzn s GLU 77 Ca -0.11 0.36 0.01 0.00 -0.15 0.00 0.00 54.97 55.08 2kzn s GLU 77 Cb -0.16 -3.26 0.02 0.00 -0.44 0.00 0.00 34.13 30.29 2kzn s GLU 77 CO 0.02 0.60 -0.01 0.15 0.95 0.00 0.00 175.26 176.97 2kzn s LYS 78 N -0.75 0.34 0.40 -4.83 1.02 -0.28 -4.96 119.74 110.68 2kzn s LYS 78 Ca 0.23 0.02 -0.25 0.00 0.02 0.00 0.00 55.97 55.98 2kzn s LYS 78 Cb -0.16 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.60 2kzn s LYS 78 CO 0.12 -0.09 1.18 -1.17 -0.92 0.00 0.00 175.35 174.47 2kzn s LEU 79 N 0.78 4.21 0.17 3.17 2.96 -1.26 -1.02 118.68 127.68 2kzn s LEU 79 Ca -0.08 2.38 -0.06 0.00 -0.22 0.00 0.00 54.13 56.15 2kzn s LEU 79 Cb -0.11 -3.99 -0.02 0.00 0.50 0.00 0.00 46.19 42.57 2kzn s LEU 79 CO -0.01 -0.67 0.22 -0.62 -1.32 0.00 0.00 176.35 173.95 2kzn s ASP 80 N -1.08 0.11 -1.48 3.68 2.15 0.45 -4.87 116.67 115.63 2kzn s ASP 80 Ca 0.57 -1.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.46 2kzn s ASP 80 Cb -0.32 0.41 0.01 0.00 -0.30 0.00 0.00 42.92 42.72 2kzn s ASP 80 CO 0.40 -0.87 0.77 0.41 -0.17 0.00 0.00 175.17 175.71 2kzn n THR 81 N -0.21 -2.27 1.06 1.71 -1.04 -1.26 -2.89 114.28 109.39 2kzn n THR 81 Ca -0.05 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.99 2kzn n THR 81 Cb 0.63 -3.61 0.17 0.00 -1.82 0.00 0.00 70.33 65.71 2kzn n THR 81 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kzn n SER 82 N -2.58 0.00 -1.03 8.00 3.41 -1.25 -2.97 113.62 117.19 2kzn n SER 82 Ca -0.08 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2kzn n SER 82 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2kzn n SER 82 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2kzn n HIS 83 N -0.67 0.00 0.00 7.33 8.25 -1.26 -4.47 115.22 124.40 2kzn n HIS 83 Ca 0.04 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2kzn n HIS 83 Cb 0.02 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kzn n GLY 84 N 0.60 1.60 3.14 -1.41 0.00 -1.26 -5.13 105.19 102.73 2kzn n GLY 84 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2kzn n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kzn s MET 85 N -0.10 0.30 -0.40 1.61 -2.45 -1.16 -5.13 119.30 111.97 2kzn s MET 85 Ca 0.00 0.40 -0.23 0.00 -1.25 0.00 0.00 55.69 54.61 2kzn s MET 85 Cb 0.00 0.12 0.01 0.00 1.25 0.00 0.00 34.83 36.21 2kzn s MET 85 CO 0.00 -0.05 0.76 0.42 1.05 0.00 0.00 175.02 177.19 2kzn s ILE 86 N 0.30 4.73 -0.00 10.11 -1.09 -1.26 -3.93 121.20 130.05 2kzn s ILE 86 Ca -0.01 0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2kzn s ILE 86 Cb -0.03 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 2kzn s ILE 86 CO -0.01 -0.52 0.01 -0.13 -1.23 0.00 0.00 174.94 173.05 2kzn s ARG 87 N 3.10 -0.01 0.01 2.79 1.81 -1.14 -4.75 118.95 120.77 2kzn s ARG 87 Ca 0.29 0.04 0.04 0.00 -1.72 0.00 0.00 55.73 54.39 2kzn s ARG 87 Cb -0.13 -0.05 -0.02 0.00 -0.45 0.00 0.00 34.95 34.30 2kzn s ARG 87 CO 0.19 -0.04 -0.14 0.99 -0.68 0.00 0.00 175.30 175.62 2kzn s THR 88 N 0.23 1.09 -0.05 0.02 2.01 -1.17 -0.41 115.64 117.36 2kzn s THR 88 Ca -0.02 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2kzn s THR 88 Cb -0.03 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2kzn s THR 88 CO -0.01 0.18 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.25 2kzn s GLU 89 N -0.66 2.42 -0.20 4.92 2.02 -0.19 -0.97 118.70 126.04 2kzn s GLU 89 Ca 0.04 -0.89 -0.16 0.00 0.02 0.00 0.00 54.97 53.97 2kzn s GLU 89 Cb -0.06 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2kzn s GLU 89 CO 0.00 0.40 0.43 0.14 0.02 0.00 0.00 175.26 176.25 2kzn s VAL 90 N -0.22 5.17 -0.29 2.63 -7.23 -0.43 -1.12 120.40 118.90 2kzn s VAL 90 Ca -0.01 0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 60.78 2kzn s VAL 90 Cb -0.13 -3.76 0.12 0.00 0.56 0.00 0.00 36.38 33.17 2kzn s VAL 90 CO 0.03 0.23 0.75 0.00 -0.31 0.00 0.00 175.10 175.80 2kzn s ARG 91 N 1.43 0.56 0.07 4.82 1.04 0.34 -2.37 118.95 124.84 2kzn s ARG 91 Ca 0.20 1.18 0.01 0.00 -1.04 0.00 0.00 55.73 56.08 2kzn s ARG 91 Cb -0.15 0.46 0.01 0.00 -2.04 0.00 0.00 34.95 33.23 2kzn s ARG 91 CO 0.08 -0.15 0.08 0.43 -0.04 0.00 0.00 175.30 175.71 2kzn n SER 92 N 4.77 0.49 0.28 -2.89 7.64 -1.24 -4.27 113.62 118.39 2kzn n SER 92 Ca -0.15 -1.20 -0.14 0.00 1.01 0.00 0.00 58.87 58.39 2kzn n SER 92 Cb 0.54 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 2kzn n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kzn h ARG 93 N 0.00 -0.70 0.16 1.43 2.43 -1.97 -0.54 114.38 115.18 2kzn h ARG 93 Ca -0.03 0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.95 2kzn h ARG 93 Cb 0.15 0.16 0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2kzn h ARG 93 CO 0.05 -0.40 -1.02 1.15 -1.51 0.00 0.00 179.97 178.25 2kzn h THR 94 N -1.04 1.42 0.00 0.20 2.02 -1.99 -3.35 112.91 110.17 2kzn h THR 94 Ca -0.07 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2kzn h THR 94 Cb 0.63 3.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2kzn h THR 94 CO 0.12 0.73 0.00 0.00 0.37 0.00 0.00 175.52 176.75 2kzn n ALA 95 N -2.68 2.28 -0.08 6.16 0.00 -1.24 -4.58 120.51 120.37 2kzn n ALA 95 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 2kzn n ALA 95 Cb 0.90 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 2kzn n ALA 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kzn h ASP 96 N 0.05 -0.73 0.59 0.00 3.58 -1.23 -1.90 116.42 116.78 2kzn h ASP 96 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2kzn h ASP 96 Cb 0.10 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2kzn h ASP 96 CO 0.00 -0.13 -0.20 -1.20 -2.88 0.00 0.00 179.24 174.82 2kzn n SER 97 N -3.74 0.36 -0.01 2.28 7.64 -1.26 -4.16 113.62 114.73 2kzn n SER 97 Ca -0.01 -0.16 -0.17 0.00 1.01 0.00 0.00 58.87 59.54 2kzn n SER 97 Cb 0.12 -0.09 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 2kzn n SER 97 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kzn h HIS 98 N 0.25 0.44 0.00 1.43 3.86 -1.66 -3.41 115.15 116.06 2kzn h HIS 98 Ca 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2kzn h HIS 98 Cb 0.45 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2kzn h HIS 98 CO 0.00 1.07 0.00 1.28 0.86 0.00 0.00 177.93 181.14 2kzn n LEU 99 N -4.34 1.11 0.00 2.43 4.77 -0.98 -4.88 117.00 115.10 2kzn n LEU 99 Ca -0.10 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2kzn n LEU 99 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2kzn n LEU 99 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2kzn n GLY 100 N 0.87 0.15 3.24 -0.72 0.00 -1.00 -4.50 105.19 103.23 2kzn n GLY 100 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 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 1.67 0.05 1.61 3.76 -1.21 -1.32 115.29 116.85 2kzn s HIS 101 Ca 0.00 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.55 2kzn s HIS 101 Cb 0.00 -0.96 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 2kzn s HIS 101 CO 0.00 0.12 -0.11 0.14 -0.85 0.00 0.00 174.74 174.04 2kzn s VAL 102 N -0.98 0.86 0.12 -0.90 -7.23 -0.14 -2.00 120.40 110.13 2kzn s VAL 102 Ca 0.05 -1.08 0.09 0.00 -1.81 0.00 0.00 61.98 59.23 2kzn s VAL 102 Cb -0.09 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 2kzn s VAL 102 CO 0.03 -0.20 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.09 2kzn s PHE 103 N -1.13 2.58 -1.65 2.82 0.08 -0.90 -3.07 117.98 116.71 2kzn s PHE 103 Ca -0.04 -0.24 0.09 0.00 0.12 0.00 0.00 56.93 56.86 2kzn s PHE 103 Cb -0.09 -1.36 0.29 0.00 -0.57 0.00 0.00 43.02 41.30 2kzn s PHE 103 CO 0.01 0.40 1.17 -1.71 -0.10 0.00 0.00 175.22 175.00 2kzn n ASN 104 N 0.73 2.02 -0.49 1.36 2.85 -1.26 -0.18 115.26 120.29 2kzn n ASN 104 Ca -0.15 -2.11 0.13 0.00 -0.11 0.00 0.00 54.58 52.34 2kzn n ASN 104 Cb 0.53 -0.31 0.48 0.00 1.24 0.00 0.00 39.78 41.72 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 0.37 1.50 -4.37 1.20 9.92 -1.26 -4.81 116.55 119.10 2kzn n ASP 105 Ca 0.11 -1.56 -0.19 0.00 -0.53 0.00 0.00 54.79 52.61 2kzn n ASP 105 Cb 0.37 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.84 1.54 -0.07 0.44 0.00 -1.25 -5.01 107.32 101.13 2kzn s GLY 106 Ca 0.36 -1.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.12 2kzn s GLY 106 CO 0.31 -1.79 0.71 2.56 0.00 0.00 0.00 173.10 174.90 2kzn s PRO 107 N -3.66 4.44 0.00 2.90 0.04 -1.25 -3.16 135.00 134.30 2kzn s PRO 107 Ca 0.25 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2kzn s PRO 107 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2kzn s PRO 107 CO 0.08 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2kzn n GLY 108 N 3.11 2.19 0.33 0.56 0.00 -1.19 -4.66 105.19 105.54 2kzn n GLY 108 Ca -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 2kzn n GLY 108 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kzn h PRO 109 N 0.00 1.14 0.00 1.61 0.11 -1.87 -2.88 132.00 130.11 2kzn h PRO 109 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2kzn h PRO 109 Cb 0.00 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.85 2kzn h PRO 109 CO 0.00 0.76 -1.56 -1.71 -0.21 0.00 0.00 178.00 175.28 2kzn n ASN 110 N -4.48 0.47 -0.07 -2.05 5.15 -1.26 -4.98 115.26 108.05 2kzn n ASN 110 Ca 0.09 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 2kzn n ASN 110 Cb 0.02 1.57 0.00 0.00 -0.53 0.00 0.00 39.78 40.83 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 1.37 0.99 3.74 8.20 0.00 -1.09 -5.14 105.19 113.27 2kzn n GLY 111 Ca -0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.13 3.24 -0.22 0.99 1.43 -1.19 -4.38 118.68 118.42 2kzn s LEU 112 Ca 0.00 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2kzn s LEU 112 Cb 0.00 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.58 2kzn s LEU 112 CO 0.00 -0.36 -0.00 -0.60 0.23 0.00 0.00 176.35 175.62 2kzn s ARG 113 N -3.87 1.12 -0.81 1.70 3.52 0.74 -3.16 118.95 118.18 2kzn s ARG 113 Ca 0.39 -0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 54.99 2kzn s ARG 113 Cb -0.01 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 31.06 2kzn s ARG 113 CO 0.23 -0.64 1.42 0.71 -0.81 0.00 0.00 175.30 176.20 2kzn s TYR 114 N 1.62 2.27 -0.64 5.12 1.51 -1.07 -2.12 117.35 124.04 2kzn s TYR 114 Ca -0.03 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 2kzn s TYR 114 Cb -0.18 -4.57 0.16 0.00 -0.11 0.00 0.00 41.96 37.26 2kzn s TYR 114 CO -0.08 -2.05 0.55 0.00 -1.11 0.00 0.00 175.55 172.86 2kzn s ILE 116 N 0.81 3.47 -0.29 0.00 -1.09 -1.19 -3.31 121.20 119.60 2kzn s ILE 116 Ca 0.11 -0.78 -0.27 0.00 -2.23 0.00 0.00 60.65 57.48 2kzn s ILE 116 Cb -0.21 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2kzn s ILE 116 CO -0.03 0.44 0.96 0.20 -1.23 0.00 0.00 174.94 175.28 2kzn s ASN 117 N -1.25 6.87 0.57 3.58 0.01 -1.26 -4.00 114.94 119.45 2kzn s ASN 117 Ca 0.15 0.99 0.33 0.00 -0.71 0.00 0.00 52.86 53.63 2kzn s ASN 117 Cb -0.11 -2.49 1.70 0.00 0.41 0.00 0.00 41.25 40.76 2kzn s ASN 117 CO 0.06 -0.72 2.14 0.77 -1.51 0.00 0.00 177.10 177.83 2kzn h SER 118 N 7.93 0.00 -0.10 -1.22 4.64 -1.93 -1.44 113.55 121.44 2kzn h SER 118 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2kzn h SER 118 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2kzn h SER 118 CO 0.96 0.06 0.01 0.00 -0.87 0.00 0.00 176.83 176.99 2kzn h ALA 119 N 1.94 1.69 0.00 5.18 0.00 -1.92 -1.30 119.26 124.84 2kzn h ALA 119 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kzn h ALA 119 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kzn h ALA 119 CO 0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2kzn n ALA 120 N -2.50 2.27 -2.65 0.00 0.00 -0.54 -4.75 120.51 112.34 2kzn n ALA 120 Ca -0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 2kzn n ALA 120 Cb 0.17 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 2kzn n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kzn s LEU 121 N -3.30 3.23 -0.03 0.00 1.43 -0.49 -1.48 118.68 118.03 2kzn s LEU 121 Ca 0.13 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2kzn s LEU 121 Cb 0.17 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.63 2kzn s LEU 121 CO 0.52 0.03 0.05 -0.60 0.23 0.00 0.00 176.35 176.59 2kzn s ARG 122 N -3.43 -0.02 0.08 1.70 3.52 0.96 -4.71 118.95 117.05 2kzn s ARG 122 Ca 0.30 0.25 -0.31 0.00 -0.13 0.00 0.00 55.73 55.84 2kzn s ARG 122 Cb -0.07 -0.28 -0.06 0.00 -1.56 0.00 0.00 34.95 32.98 2kzn s ARG 122 CO 0.19 -0.19 1.24 -0.59 -0.81 0.00 0.00 175.30 175.14 2kzn s PHE 123 N 1.27 3.40 -0.47 5.12 -0.71 -1.26 -1.26 117.98 124.07 2kzn s PHE 123 Ca -0.07 1.23 0.04 0.00 -1.04 0.00 0.00 56.93 57.09 2kzn s PHE 123 Cb -0.13 -3.48 0.12 0.00 -1.21 0.00 0.00 43.02 38.33 2kzn s PHE 123 CO -0.03 -1.52 0.20 0.08 -1.34 0.00 0.00 175.22 172.61 2kzn s VAL 124 N 1.04 2.40 0.92 -2.49 1.01 -0.57 -4.99 120.40 117.71 2kzn s VAL 124 Ca 0.60 -3.00 -0.10 0.00 0.00 0.00 0.00 61.98 59.48 2kzn s VAL 124 Cb -0.31 -2.69 0.15 0.00 0.00 0.00 0.00 36.38 33.52 2kzn s VAL 124 CO 0.30 -0.76 1.14 -2.84 0.00 0.00 0.00 175.10 172.94 2kzn s PRO 125 N 0.08 1.02 0.57 2.72 0.02 -1.26 -1.52 135.00 136.63 2kzn s PRO 125 Ca 0.15 1.48 0.35 0.00 0.02 0.00 0.00 61.00 63.01 2kzn s PRO 125 Cb -0.24 -1.73 1.40 0.00 0.02 0.00 0.00 34.50 33.95 2kzn s PRO 125 CO -0.02 -2.61 1.65 1.57 -0.33 0.00 0.00 177.00 177.26 2kzn h LYS 126 N -1.85 0.00 -0.58 5.54 -0.00 -1.86 0.10 116.57 117.92 2kzn h LYS 126 Ca -0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.13 2kzn h LYS 126 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.48 2kzn h LYS 126 CO 0.43 0.00 0.07 1.25 -0.00 0.00 0.00 179.45 181.19 2kzn h HIS 127 N 0.00 1.04 0.00 0.07 6.17 -1.90 -3.33 115.15 117.20 2kzn h HIS 127 Ca 0.53 -0.16 -0.24 0.00 0.71 0.00 0.00 60.37 61.22 2kzn h HIS 127 Cb 2.47 -0.28 -0.04 0.00 2.52 0.00 0.00 27.41 32.08 2kzn h HIS 127 CO 0.00 0.92 -1.55 0.87 0.71 0.00 0.00 177.93 178.87 2kzn h LYS 128 N 0.87 0.00 -0.80 5.26 1.79 -1.16 -3.40 116.57 119.13 2kzn h LYS 128 Ca 0.17 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 2kzn h LYS 128 Cb 0.46 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2kzn h LYS 128 CO 0.02 0.44 0.53 -0.07 -1.08 0.00 0.00 179.45 179.28 2kzn h LEU 129 N 0.00 0.89 -1.42 2.94 3.38 -1.44 -1.57 115.31 118.09 2kzn h LEU 129 Ca -0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2kzn h LEU 129 Cb 1.84 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2kzn h LEU 129 CO 0.07 0.63 -0.02 0.07 0.09 0.00 0.00 178.44 179.27 2kzn h LYS 130 N 1.04 0.35 0.04 1.13 2.10 -1.77 -0.26 116.57 119.21 2kzn h LYS 130 Ca 0.31 -0.06 -0.23 0.00 -2.00 0.00 0.00 60.65 58.67 2kzn h LYS 130 Cb -0.04 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2kzn h LYS 130 CO -0.08 0.40 -1.05 0.93 -2.00 0.00 0.00 179.45 177.65 2kzn h GLU 131 N 0.34 0.11 -0.08 0.07 5.08 -1.56 -2.97 114.58 115.58 2kzn h GLU 131 Ca 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kzn h GLU 131 Cb 0.27 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kzn h GLU 131 CO 0.01 1.06 0.00 0.39 -1.00 0.00 0.00 179.01 179.46 2kzn n GLU 132 N -3.46 1.18 0.00 2.33 4.71 -0.84 -4.87 120.64 119.69 2kzn n GLU 132 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.16 56.84 2kzn n GLU 132 Cb 0.94 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 30.30 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kzn n GLY 133 N 0.64 0.77 4.82 0.62 0.00 -0.92 -4.79 105.19 106.33 2kzn n GLY 133 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kzn n GLY 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kzn n TYR 134 N -0.96 0.00 0.16 1.61 0.18 -0.17 -4.71 117.16 113.28 2kzn n TYR 134 Ca 0.00 0.00 0.19 0.00 1.88 0.00 0.00 57.90 59.97 2kzn n TYR 134 Cb 0.00 0.00 0.78 0.00 -0.38 0.00 0.00 39.34 39.74 2kzn n TYR 134 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 2kzn h GLU 135 N 0.00 0.00 0.23 -3.48 4.39 -1.86 -0.06 114.58 113.80 2kzn h GLU 135 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2kzn h GLU 135 Cb 0.00 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2kzn h GLU 135 CO 0.00 0.00 -1.51 0.77 -1.16 0.00 0.00 179.01 177.11 2kzn h SER 136 N 0.00 0.76 0.00 1.42 0.02 -1.90 -2.71 113.55 111.14 2kzn h SER 136 Ca 0.14 -0.86 -0.16 0.00 -0.84 0.00 0.00 61.79 60.06 2kzn h SER 136 Cb 0.85 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2kzn h SER 136 CO -0.00 1.68 -1.46 0.00 -1.14 0.00 0.00 176.83 175.91 2kzn n TYR 137 N -3.67 0.00 0.15 3.45 9.36 -1.16 -4.36 117.16 120.93 2kzn n TYR 137 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 2kzn n TYR 137 Cb 1.09 -0.38 0.24 0.00 -0.63 0.00 0.00 39.34 39.67 2kzn n TYR 137 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2kzn h LEU 138 N -0.40 0.01 0.00 2.98 4.07 -1.22 0.21 115.31 120.97 2kzn h LEU 138 Ca -0.25 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.52 2kzn h LEU 138 Cb 1.14 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 2kzn h LEU 138 CO -0.15 0.53 -1.06 -0.74 -1.08 0.00 0.00 178.44 175.94 2kzn h HIS 139 N 0.01 0.00 0.07 1.13 2.76 -1.59 -3.30 115.15 114.24 2kzn h HIS 139 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kzn h HIS 139 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2kzn h HIS 139 CO 0.00 1.26 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.79 2kzn h LEU 140 N -1.00 -0.08 -0.09 0.26 3.38 -1.38 -2.92 115.31 113.47 2kzn h LEU 140 Ca -0.28 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.19 2kzn h LEU 140 Cb 1.17 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2kzn h LEU 140 CO -0.17 0.29 -0.64 0.15 0.09 0.00 0.00 178.44 178.17 2kzn h PHE 141 N -0.47 0.82 -3.43 1.13 3.04 -0.80 -3.35 116.94 113.87 2kzn h PHE 141 Ca -0.01 -0.38 -0.77 0.00 3.98 0.00 0.00 57.97 60.79 2kzn h PHE 141 Cb 0.41 -0.12 -0.31 0.00 2.56 0.00 0.00 35.95 38.49 2kzn h PHE 141 CO 0.05 1.18 0.28 -1.71 -2.02 0.00 0.00 178.31 176.09 2kzn n ASN 142 N -4.12 5.10 -0.15 0.41 5.15 -1.06 -4.84 115.26 115.76 2kzn n ASN 142 Ca -0.08 -3.09 0.13 0.00 -0.60 0.00 0.00 54.58 50.94 2kzn n ASN 142 Cb 0.67 -1.26 0.70 0.00 -0.53 0.00 0.00 39.78 39.37 2kzn n ASN 142 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2kzn n LYS 143 N 2.47 1.20 -3.66 1.20 2.85 -1.10 -4.27 118.16 116.84 2kzn n LYS 143 Ca 0.23 -0.30 -0.30 0.00 -1.05 0.00 0.00 58.31 56.90 2kzn n LYS 143 Cb 0.38 -1.43 -0.15 0.00 -0.65 0.00 0.00 35.03 33.19 2kzn n LYS 143 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kzn s LEU 144 N -1.84 1.72 -0.34 -5.58 1.98 -1.26 -5.10 118.68 108.26 2kzn s LEU 144 Ca 0.39 -1.67 -0.22 0.00 -2.89 0.00 0.00 54.13 49.74 2kzn s LEU 144 Cb 0.19 -0.70 0.00 0.00 0.66 0.00 0.00 46.19 46.34 2kzn s LEU 144 CO 0.31 -0.40 0.71 -0.70 -1.89 0.00 0.00 176.35 174.38 2kzn s GLU 145 N 1.60 3.81 -0.24 1.98 2.12 -1.26 -5.03 118.70 121.68 2kzn s GLU 145 Ca 0.11 0.31 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 2kzn s GLU 145 Cb -0.18 -3.77 0.09 0.00 0.26 0.00 0.00 34.13 30.53 2kzn s GLU 145 CO -0.24 -0.72 0.15 -1.58 -0.54 0.00 0.00 175.26 172.33 2kzn s HIS 146 N 2.86 0.09 -0.66 5.30 2.46 -1.26 -5.28 115.29 118.81 2kzn s HIS 146 Ca 0.28 -0.46 0.05 0.00 0.47 0.00 0.00 55.06 55.40 2kzn s HIS 146 Cb -0.14 -0.70 0.04 0.00 -0.13 0.00 0.00 32.58 31.65 2kzn s HIS 146 CO 0.14 -0.72 0.67 1.58 -2.47 0.00 0.00 174.74 173.94