#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn s ALA 2 N 0.00 2.96 -0.88 3.04 0.00 -1.26 -4.92 121.76 120.69 2kzn s ALA 2 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 2kzn s ALA 2 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2kzn s ALA 2 CO 0.00 -2.51 1.86 0.71 0.00 0.00 0.00 175.76 175.82 2kzn s TYR 3 N 6.22 1.90 0.85 0.00 2.02 -1.26 -4.84 117.35 122.23 2kzn s TYR 3 Ca 0.72 0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 57.75 2kzn s TYR 3 Cb -0.19 -4.15 0.14 0.00 -0.40 0.00 0.00 41.96 37.36 2kzn s TYR 3 CO 0.33 -1.84 1.19 1.21 -1.57 0.00 0.00 175.55 174.88 2kzn s ASN 4 N 7.56 3.90 0.28 2.29 3.84 -1.26 -4.88 114.94 126.67 2kzn s ASN 4 Ca 0.66 0.33 0.02 0.00 0.21 0.00 0.00 52.86 54.08 2kzn s ASN 4 Cb -0.06 -0.63 0.57 0.00 -0.55 0.00 0.00 41.25 40.57 2kzn s ASN 4 CO 0.01 -2.22 1.83 0.50 -2.79 0.00 0.00 177.10 174.42 2kzn h LYS 5 N -1.17 0.95 -0.30 0.43 3.64 -1.99 -0.39 116.57 117.75 2kzn h LYS 5 Ca -0.44 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2kzn h LYS 5 Cb 1.27 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2kzn h LYS 5 CO 0.49 0.63 0.13 0.93 -2.27 0.00 0.00 179.45 179.36 2kzn h GLU 6 N 0.98 0.44 -0.46 1.90 4.39 -1.97 -1.07 114.58 118.79 2kzn h GLU 6 Ca 0.50 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 2kzn h GLU 6 Cb 0.52 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2kzn h GLU 6 CO -0.27 0.44 0.04 0.93 -1.16 0.00 0.00 179.01 178.98 2kzn h GLU 7 N 0.34 0.72 0.69 2.33 4.39 -1.82 -1.99 114.58 119.24 2kzn h GLU 7 Ca 0.10 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2kzn h GLU 7 Cb 0.15 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2kzn h GLU 7 CO -0.01 0.71 -0.33 -0.22 -1.16 0.00 0.00 179.01 178.00 2kzn h LYS 8 N 0.69 -0.90 -0.74 2.33 3.64 -0.77 -2.31 116.57 118.51 2kzn h LYS 8 Ca 0.14 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2kzn h LYS 8 Cb 0.36 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2kzn h LYS 8 CO 0.01 -0.57 0.47 0.82 -2.27 0.00 0.00 179.45 177.91 2kzn h ILE 9 N -1.05 1.20 0.52 2.00 1.08 -1.20 -0.57 117.51 119.49 2kzn h ILE 9 Ca -0.10 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2kzn h ILE 9 Cb 0.74 0.13 0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2kzn h ILE 9 CO 0.16 0.20 -0.25 0.50 -0.69 0.00 0.00 178.15 178.07 2kzn h LYS 10 N 1.01 -0.67 -0.30 2.37 3.11 -1.36 -0.59 116.57 120.14 2kzn h LYS 10 Ca 0.27 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.13 2kzn h LYS 10 Cb -0.08 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 2kzn h LYS 10 CO -0.05 -0.41 0.10 0.66 -2.81 0.00 0.00 179.45 176.94 2kzn h SER 11 N -0.78 0.42 -0.18 4.20 4.64 -1.23 -2.58 113.55 118.05 2kzn h SER 11 Ca -0.07 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2kzn h SER 11 Cb 0.57 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.48 2kzn h SER 11 CO 0.12 0.50 -0.47 0.25 -0.87 0.00 0.00 176.83 176.36 2kzn h LEU 12 N 0.32 -1.49 -1.46 5.97 5.85 -1.14 -2.36 115.31 121.00 2kzn h LEU 12 Ca 0.10 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 2kzn h LEU 12 Cb 0.23 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2kzn h LEU 12 CO -0.00 -0.44 -0.27 0.78 -0.34 0.00 0.00 178.44 178.16 2kzn h ASN 13 N -0.50 0.00 0.59 1.25 2.35 -1.00 0.05 115.58 118.32 2kzn h ASN 13 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2kzn h ASN 13 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.02 2kzn h ASN 13 CO -0.44 0.27 -0.28 -0.09 -1.65 0.00 0.00 177.43 175.24 2kzn h ARG 14 N 0.00 -0.76 -0.36 0.81 2.43 -1.33 -2.42 114.38 112.75 2kzn h ARG 14 Ca -0.00 0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 2kzn h ARG 14 Cb 0.51 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2kzn h ARG 14 CO 0.04 -0.45 -0.32 0.00 -1.51 0.00 0.00 179.97 177.72 2kzn h MET 15 N -0.98 0.86 0.22 0.20 -0.00 -1.02 -2.11 114.93 112.09 2kzn h MET 15 Ca -0.08 -0.44 -0.01 0.00 -0.00 0.00 0.00 59.70 59.17 2kzn h MET 15 Cb 0.66 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 2kzn h MET 15 CO 0.13 1.08 -0.10 0.37 -0.00 0.00 0.00 176.91 178.39 2kzn h GLN 16 N 0.66 -0.28 -0.24 -0.10 4.15 -1.14 -2.79 115.11 115.36 2kzn h GLN 16 Ca 0.06 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.52 2kzn h GLN 16 Cb 0.90 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.63 2kzn h GLN 16 CO 0.08 0.01 0.09 -0.92 -1.93 0.00 0.00 178.83 176.16 2kzn h TYR 17 N -0.57 0.16 0.00 3.99 3.20 -1.40 -0.55 116.97 121.80 2kzn h TYR 17 Ca -0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2kzn h TYR 17 Cb 0.42 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2kzn h TYR 17 CO 0.02 0.08 -0.10 1.05 -1.64 0.00 0.00 178.16 177.57 2kzn h GLU 18 N 0.20 0.00 0.18 1.82 4.11 -1.46 -1.07 114.58 118.36 2kzn h GLU 18 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2kzn h GLU 18 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kzn h GLU 18 CO -0.10 0.10 -0.09 0.28 0.07 0.00 0.00 179.01 179.27 2kzn h VAL 19 N 0.00 0.16 -0.69 -1.06 2.07 -1.08 -3.10 116.25 112.55 2kzn h VAL 19 Ca -0.00 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2kzn h VAL 19 Cb 0.30 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2kzn h VAL 19 CO 0.01 0.05 0.46 0.71 0.02 0.00 0.00 177.57 178.82 2kzn h THR 20 N -1.05 0.97 0.15 2.57 1.35 -0.94 0.44 112.91 116.40 2kzn h THR 20 Ca -0.02 -0.22 -0.29 0.00 -0.55 0.00 0.00 66.41 65.32 2kzn h THR 20 Cb 0.26 0.27 0.01 0.00 -1.73 0.00 0.00 68.15 66.96 2kzn h THR 20 CO 0.04 0.12 -1.36 -0.61 -0.25 0.00 0.00 175.52 173.45 2kzn h GLN 21 N 0.64 0.31 0.00 4.72 5.75 -1.35 -3.30 115.11 121.88 2kzn h GLN 21 Ca 0.31 -0.53 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2kzn h GLN 21 Cb 0.38 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.12 2kzn h GLN 21 CO -0.10 1.23 -1.17 -1.71 -2.65 0.00 0.00 178.83 174.43 2kzn n ASN 22 N -3.54 0.61 -1.17 -0.69 5.15 -1.07 -4.95 115.26 109.59 2kzn n ASN 22 Ca -0.12 0.08 -0.12 0.00 -0.60 0.00 0.00 54.58 53.82 2kzn n ASN 22 Cb 1.04 0.82 -0.02 0.00 -0.53 0.00 0.00 39.78 41.09 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2kzn n ASN 23 N -2.33 -4.00 -3.46 1.20 3.02 0.14 -5.05 115.26 104.78 2kzn n ASN 23 Ca 0.00 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.40 2kzn n ASN 23 Cb 0.51 -2.97 0.20 0.00 -0.61 0.00 0.00 39.78 36.92 2kzn n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kzn n GLY 24 N -1.21 -2.40 3.70 7.41 0.00 -0.14 -4.98 105.19 107.57 2kzn n GLY 24 Ca -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 2kzn n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kzn s THR 25 N -2.90 0.00 0.02 2.61 -1.32 -1.26 -4.72 115.64 108.06 2kzn s THR 25 Ca 0.62 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2kzn s THR 25 Cb -0.05 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 2kzn s THR 25 CO 0.46 0.00 0.10 -1.83 -2.21 0.00 0.00 174.62 171.15 2kzn s GLU 26 N -3.23 3.11 0.18 7.08 -1.05 -1.26 -5.10 118.70 118.42 2kzn s GLU 26 Ca 0.11 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.13 2kzn s GLU 26 Cb -0.01 -2.88 -0.08 0.00 -0.44 0.00 0.00 34.13 30.72 2kzn s GLU 26 CO -0.00 0.63 1.18 -2.14 0.95 0.00 0.00 175.26 175.88 2kzn s PRO 27 N -1.96 4.50 -0.76 -4.83 0.02 -1.26 -4.94 135.00 125.77 2kzn s PRO 27 Ca 0.26 1.84 -0.24 0.00 0.02 0.00 0.00 61.00 62.88 2kzn s PRO 27 Cb -0.12 -3.25 -0.16 0.00 0.02 0.00 0.00 34.50 30.98 2kzn s PRO 27 CO 0.17 -0.07 2.41 -2.30 -0.33 0.00 0.00 177.00 176.88 2kzn n PRO 28 N 2.58 0.55 0.00 5.54 -0.02 -1.26 -4.13 135.00 138.25 2kzn n PRO 28 Ca 0.04 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 2kzn n PRO 28 Cb 0.45 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 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 14.73 -0.32 -0.29 6.00 7.35 -1.26 -4.79 117.46 138.89 2kzn n PHE 29 Ca 0.50 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.23 2kzn n PHE 29 Cb 0.37 0.09 0.18 0.00 0.35 0.00 0.00 39.48 40.47 2kzn n PHE 29 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2kzn h GLN 30 N 0.00 0.69 -3.76 -4.13 -0.00 -1.99 -3.40 115.11 102.51 2kzn h GLN 30 Ca 0.00 -0.04 -0.21 0.00 -0.00 0.00 0.00 58.65 58.40 2kzn h GLN 30 Cb 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 27.48 27.07 2kzn h GLN 30 CO 0.00 0.46 -0.70 1.21 0.00 0.00 0.00 178.83 179.80 2kzn s ASN 31 N -5.53 0.05 0.32 -0.69 3.84 -1.26 -5.04 114.94 106.63 2kzn s ASN 31 Ca -0.12 -0.11 0.23 0.00 0.21 0.00 0.00 52.86 53.06 2kzn s ASN 31 Cb 0.20 0.05 0.22 0.00 -0.55 0.00 0.00 41.25 41.17 2kzn s ASN 31 CO 0.78 -0.09 1.37 -0.08 -2.79 0.00 0.00 177.10 176.29 2kzn h GLU 32 N 5.70 0.00 -1.21 0.43 4.81 -1.87 -3.38 114.58 119.06 2kzn h GLU 32 Ca -0.26 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 59.32 2kzn h GLU 32 Cb 1.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 2kzn h GLU 32 CO 0.47 0.00 0.86 -0.92 -0.73 0.00 0.00 179.01 178.70 2kzn h TYR 33 N 0.00 0.06 0.00 0.92 3.20 -1.96 -0.87 116.97 118.32 2kzn h TYR 33 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kzn h TYR 33 Cb 0.98 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2kzn h TYR 33 CO 0.00 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.43 2kzn n TRP 34 N -4.21 0.00 0.05 -3.82 5.03 -1.26 -2.74 117.44 110.49 2kzn n TRP 34 Ca 0.27 0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.79 2kzn n TRP 34 Cb 1.25 -0.15 0.28 0.00 -1.03 0.00 0.00 31.31 31.66 2kzn n TRP 34 CO 0.00 0.00 0.00 0.38 -0.03 0.00 0.00 177.69 178.04 2kzn h ASP 35 N 0.00 0.38 -3.86 -0.99 2.03 -1.50 -3.47 116.42 109.02 2kzn h ASP 35 Ca 0.00 -0.11 -0.55 0.00 -0.73 0.00 0.00 57.03 55.64 2kzn h ASP 35 Cb 0.05 -0.10 0.12 0.00 -0.83 0.00 0.00 39.33 38.57 2kzn h ASP 35 CO 0.00 0.59 0.65 1.41 -1.03 0.00 0.00 179.24 180.86 2kzn n HIS 36 N -4.18 2.58 -1.68 4.15 8.25 -1.11 -4.95 115.22 118.27 2kzn n HIS 36 Ca -0.00 0.45 0.01 0.00 -0.26 0.00 0.00 57.72 57.92 2kzn n HIS 36 Cb 0.34 -2.44 0.18 0.00 1.12 0.00 0.00 29.99 29.18 2kzn n HIS 36 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kzn n LYS 37 N -0.10 1.92 -0.38 -0.41 0.00 -1.26 -5.08 118.16 112.85 2kzn n LYS 37 Ca 0.05 -3.44 -0.19 0.00 -0.00 0.00 0.00 58.31 54.73 2kzn n LYS 37 Cb 0.41 -1.72 0.18 0.00 -0.00 0.00 0.00 35.03 33.90 2kzn n LYS 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2kzn n GLU 38 N -1.03 -3.20 -4.10 -1.58 -0.00 -1.26 -5.08 120.64 104.39 2kzn n GLU 38 Ca 0.23 -1.02 -0.30 0.00 -0.00 0.00 0.00 57.16 56.06 2kzn n GLU 38 Cb 0.74 -1.14 -0.07 0.00 -0.00 0.00 0.00 31.44 30.97 2kzn n GLU 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2kzn s GLU 39 N -4.45 2.69 0.00 3.44 -1.05 -1.26 -4.95 118.70 113.11 2kzn s GLU 39 Ca 0.44 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 2kzn s GLU 39 Cb -0.06 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 2kzn s GLU 39 CO 0.36 0.55 0.00 0.41 0.95 0.00 0.00 175.26 177.53 2kzn n GLY 40 N 0.54 -0.06 3.09 -3.83 0.00 -1.26 -3.45 105.19 100.21 2kzn n GLY 40 Ca -0.10 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 1.77 -0.28 0.99 1.43 -0.87 -2.55 118.68 119.17 2kzn s LEU 41 Ca 0.00 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2kzn s LEU 41 Cb 0.00 0.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.74 2kzn s LEU 41 CO 0.00 -0.41 0.11 -0.31 0.23 0.00 0.00 176.35 175.97 2kzn s TYR 42 N -1.82 3.13 0.24 0.29 1.51 -0.89 -0.60 117.35 119.20 2kzn s TYR 42 Ca -0.12 -0.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 2kzn s TYR 42 Cb -0.06 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.45 2kzn s TYR 42 CO -0.01 -0.42 -0.14 0.14 -1.11 0.00 0.00 175.55 174.01 2kzn s VAL 43 N 1.60 1.90 -0.55 0.71 -7.23 -0.37 -1.43 120.40 115.04 2kzn s VAL 43 Ca 0.05 -2.24 -0.28 0.00 -1.81 0.00 0.00 61.98 57.70 2kzn s VAL 43 Cb -0.16 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2kzn s VAL 43 CO 0.05 -0.50 1.13 -0.62 -0.31 0.00 0.00 175.10 174.84 2kzn s ASP 44 N -3.39 6.47 0.41 4.85 2.15 -1.13 -2.06 116.67 123.98 2kzn s ASP 44 Ca 0.25 0.11 0.24 0.00 0.43 0.00 0.00 52.55 53.58 2kzn s ASP 44 Cb -0.01 -2.53 1.26 0.00 -0.30 0.00 0.00 42.92 41.34 2kzn s ASP 44 CO 0.10 -1.37 1.69 0.40 -0.17 0.00 0.00 175.17 175.82 2kzn h ILE 45 N 6.15 0.31 0.11 4.11 2.04 -1.45 0.27 117.51 129.05 2kzn h ILE 45 Ca -0.25 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2kzn h ILE 45 Cb 1.06 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2kzn h ILE 45 CO 1.15 0.04 -0.05 -0.37 0.00 0.00 0.00 178.15 178.92 2kzn h VAL 46 N 0.24 1.01 0.00 1.67 -1.51 -1.91 -3.32 116.25 112.43 2kzn h VAL 46 Ca 0.72 -0.45 -0.08 0.00 -1.23 0.00 0.00 66.70 65.66 2kzn h VAL 46 Cb 2.03 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 32.47 2kzn h VAL 46 CO -0.39 0.11 -0.95 -1.28 -1.23 0.00 0.00 177.57 173.83 2kzn h SER 47 N -0.36 0.00 -2.37 4.19 0.87 -1.32 -3.48 113.55 111.08 2kzn h SER 47 Ca -0.02 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.14 2kzn h SER 47 Cb 0.29 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.18 2kzn h SER 47 CO 0.02 0.28 -0.47 0.61 -0.53 0.00 0.00 176.83 176.75 2kzn n GLY 48 N 1.25 0.33 3.41 5.77 0.00 0.72 -5.00 105.19 111.68 2kzn n GLY 48 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.59 3.14 -0.03 1.61 1.02 -1.25 -4.90 119.74 114.74 2kzn s LYS 49 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 2kzn s LYS 49 Cb 0.00 -2.58 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 2kzn s LYS 49 CO 0.00 0.34 1.57 -1.25 -0.92 0.00 0.00 175.35 175.10 2kzn s PRO 50 N 0.01 4.21 -0.18 -1.68 0.04 -1.26 -2.83 135.00 133.31 2kzn s PRO 50 Ca -0.04 2.13 0.14 0.00 0.04 0.00 0.00 61.00 63.27 2kzn s PRO 50 Cb -0.14 -3.81 -0.24 0.00 0.04 0.00 0.00 34.50 30.35 2kzn s PRO 50 CO 0.04 -0.76 0.13 1.28 0.04 0.00 0.00 177.00 177.73 2kzn n LEU 51 N 6.45 0.62 -3.45 -3.56 4.77 -0.51 -4.56 117.00 116.77 2kzn n LEU 51 Ca 0.16 0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2kzn n LEU 51 Cb 0.43 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2kzn n LEU 51 CO 0.61 0.55 0.51 0.72 -1.33 0.00 0.00 177.39 178.46 2kzn s PHE 52 N -2.51 -0.47 0.07 -1.77 -0.71 -1.14 -1.14 117.98 110.32 2kzn s PHE 52 Ca -0.13 0.30 -0.06 0.00 -1.04 0.00 0.00 56.93 56.00 2kzn s PHE 52 Cb 0.07 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.38 2kzn s PHE 52 CO 0.80 -0.73 0.32 0.95 -1.34 0.00 0.00 175.22 175.22 2kzn s THR 53 N -3.47 5.23 -0.86 -4.49 -4.23 -1.26 -2.10 115.64 104.46 2kzn s THR 53 Ca 0.02 0.11 0.27 0.00 -1.18 0.00 0.00 61.69 60.92 2kzn s THR 53 Cb -0.01 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 70.49 2kzn s THR 53 CO -0.11 0.21 1.85 -0.24 -0.54 0.00 0.00 174.62 175.79 2kzn n SER 54 N 0.63 0.43 -0.27 3.99 2.88 -1.06 -3.31 113.62 116.91 2kzn n SER 54 Ca -0.07 0.54 0.09 0.00 -1.33 0.00 0.00 58.87 58.10 2kzn n SER 54 Cb 0.52 -0.65 0.22 0.00 -0.75 0.00 0.00 64.21 63.55 2kzn n SER 54 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2kzn h LYS 55 N 0.00 0.20 -0.30 -1.46 3.64 -1.82 -3.16 116.57 113.66 2kzn h LYS 55 Ca 0.00 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 2kzn h LYS 55 Cb 0.63 -0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 32.15 2kzn h LYS 55 CO 0.00 0.13 -0.78 -0.40 -2.27 0.00 0.00 179.45 176.13 2kzn n ASP 56 N -5.24 2.62 -4.77 4.20 5.75 -1.22 -5.07 116.55 112.83 2kzn n ASP 56 Ca 0.17 -3.29 -0.39 0.00 -0.01 0.00 0.00 54.79 51.27 2kzn n ASP 56 Cb 0.56 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 2kzn n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kzn s LYS 57 N -2.91 4.45 0.34 0.11 0.00 -1.20 -4.99 119.74 115.54 2kzn s LYS 57 Ca 0.40 1.68 0.04 0.00 0.00 0.00 0.00 55.97 58.09 2kzn s LYS 57 Cb 0.38 -2.93 -0.07 0.00 0.00 0.00 0.00 37.83 35.21 2kzn s LYS 57 CO -0.05 0.08 0.05 -0.06 0.00 0.00 0.00 175.35 175.37 2kzn s PHE 58 N -1.36 2.05 0.65 1.78 0.08 -1.26 -5.07 117.98 114.85 2kzn s PHE 58 Ca 0.50 -0.90 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 2kzn s PHE 58 Cb -0.28 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2kzn s PHE 58 CO 0.35 0.08 1.08 0.16 -0.10 0.00 0.00 175.22 176.80 2kzn s ASP 59 N -3.52 5.38 -0.42 1.36 -4.77 -1.26 -4.75 116.67 108.70 2kzn s ASP 59 Ca 0.36 1.85 -0.27 0.00 -3.30 0.00 0.00 52.55 51.18 2kzn s ASP 59 Cb 0.09 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.35 2kzn s ASP 59 CO 0.16 -1.44 1.96 -0.44 0.70 0.00 0.00 175.17 176.11 2kzn s SER 60 N -2.93 5.43 0.26 2.11 0.01 -1.26 -4.70 113.70 112.62 2kzn s SER 60 Ca 0.64 1.07 0.11 0.00 1.31 0.00 0.00 55.95 59.07 2kzn s SER 60 Cb -0.17 -2.52 0.29 0.00 0.21 0.00 0.00 66.02 63.83 2kzn s SER 60 CO 0.43 -2.11 1.57 1.56 0.41 0.00 0.00 173.24 175.09 2kzn h GLN 61 N 14.79 0.00 0.00 12.44 1.08 -1.92 -3.36 115.11 138.15 2kzn h GLN 61 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2kzn h GLN 61 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2kzn h GLN 61 CO 1.10 0.66 -0.95 0.00 -0.95 0.00 0.00 178.83 178.68 2kzn n GLY 63 N 2.69 2.81 3.91 0.00 0.00 -1.26 -5.14 105.19 108.21 2kzn n GLY 63 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 3.50 -0.01 1.61 0.51 -1.26 -4.88 118.94 118.40 2kzn s TRP 64 Ca 0.00 0.37 -0.30 0.00 -2.12 0.00 0.00 56.10 54.06 2kzn s TRP 64 Cb 0.00 -1.86 -0.08 0.00 -0.81 0.00 0.00 33.47 30.72 2kzn s TRP 64 CO 0.00 0.51 1.94 -2.14 -0.51 0.00 0.00 176.95 176.74 2kzn s PRO 65 N -2.67 4.03 -0.04 4.98 0.02 -1.26 -4.18 135.00 135.87 2kzn s PRO 65 Ca 0.38 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.87 2kzn s PRO 65 Cb -0.12 -4.15 0.01 0.00 0.02 0.00 0.00 34.50 30.25 2kzn s PRO 65 CO 0.27 -1.07 -0.09 -1.54 -0.33 0.00 0.00 177.00 174.24 2kzn s SER 66 N 4.67 1.30 0.30 2.53 1.04 -1.26 -3.75 113.70 118.53 2kzn s SER 66 Ca 0.87 -0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 2kzn s SER 66 Cb -0.40 -0.53 0.04 0.00 0.10 0.00 0.00 66.02 65.24 2kzn s SER 66 CO 0.39 0.02 0.57 0.33 0.98 0.00 0.00 173.24 175.53 2kzn n PHE 67 N 3.70 -1.94 0.89 5.02 7.35 -1.23 -4.77 117.46 126.48 2kzn n PHE 67 Ca -0.22 -1.47 0.11 0.00 -0.76 0.00 0.00 57.45 55.11 2kzn n PHE 67 Cb 0.52 0.67 0.03 0.00 0.35 0.00 0.00 39.48 41.05 2kzn n PHE 67 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 2kzn n THR 68 N -0.41 0.03 -3.64 -2.13 5.66 -1.26 -0.81 114.28 111.72 2kzn n THR 68 Ca -0.06 -0.06 -0.39 0.00 -3.05 0.00 0.00 64.05 60.49 2kzn n THR 68 Cb 0.45 0.57 -0.09 0.00 -1.55 0.00 0.00 70.33 69.71 2kzn n THR 68 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kzn s LYS 69 N -3.05 2.52 0.72 1.09 2.36 -1.26 -4.77 119.74 117.34 2kzn s LYS 69 Ca 0.08 -2.13 -0.05 0.00 -2.55 0.00 0.00 55.97 51.31 2kzn s LYS 69 Cb 0.16 -3.83 0.09 0.00 -1.05 0.00 0.00 37.83 33.20 2kzn s LYS 69 CO 0.80 -1.17 1.01 -1.25 1.55 0.00 0.00 175.35 176.29 2kzn s PRO 70 N 0.67 1.93 -0.44 4.03 0.04 -1.26 -4.67 135.00 135.30 2kzn s PRO 70 Ca 0.12 -0.56 -0.19 0.00 0.04 0.00 0.00 61.00 60.41 2kzn s PRO 70 Cb -0.22 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.14 2kzn s PRO 70 CO -0.03 -1.36 0.54 0.42 0.04 0.00 0.00 177.00 176.61 2kzn s ILE 71 N -3.23 4.95 0.44 0.56 1.01 -0.30 -4.95 121.20 119.69 2kzn s ILE 71 Ca 0.63 -0.17 0.38 0.00 0.00 0.00 0.00 60.65 61.49 2kzn s ILE 71 Cb -0.09 -4.14 0.40 0.00 0.01 0.00 0.00 42.46 38.65 2kzn s ILE 71 CO 0.45 -0.54 2.19 -0.08 0.00 0.00 0.00 174.94 176.96 2kzn h GLU 72 N 8.82 0.00 0.04 2.79 4.81 -1.90 0.42 114.58 129.56 2kzn h GLU 72 Ca -0.26 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2kzn h GLU 72 Cb 1.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.49 2kzn h GLU 72 CO 0.85 0.02 -0.27 0.93 -0.73 0.00 0.00 179.01 179.81 2kzn h GLU 73 N 0.00 0.11 0.00 1.92 5.08 -1.94 -3.37 114.58 116.39 2kzn h GLU 73 Ca -0.00 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 2kzn h GLU 73 Cb 0.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kzn h GLU 73 CO 0.00 1.06 -1.06 0.93 -1.00 0.00 0.00 179.01 178.94 2kzn h GLU 74 N -0.74 0.00 -5.21 2.33 3.07 -1.70 -3.45 114.58 108.88 2kzn h GLU 74 Ca -0.05 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.18 2kzn h GLU 74 Cb 1.19 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.90 2kzn h GLU 74 CO 0.05 0.24 -0.62 0.08 -1.40 0.00 0.00 179.01 177.36 2kzn s VAL 75 N -3.06 4.33 -0.19 3.13 1.01 0.10 -4.89 120.40 120.83 2kzn s VAL 75 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2kzn s VAL 75 Cb 0.08 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2kzn s VAL 75 CO 0.79 0.44 -0.12 -0.70 0.00 0.00 0.00 175.10 175.51 2kzn s GLU 76 N 0.67 3.24 -0.15 2.72 2.12 -1.26 -4.49 118.70 121.56 2kzn s GLU 76 Ca 0.01 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.42 2kzn s GLU 76 Cb -0.14 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 2kzn s GLU 76 CO 0.02 -0.12 0.63 -1.83 -0.54 0.00 0.00 175.26 173.41 2kzn s GLU 77 N 1.19 4.30 -0.28 4.30 -1.05 -1.26 -1.02 118.70 124.89 2kzn s GLU 77 Ca 0.02 0.67 0.01 0.00 -0.15 0.00 0.00 54.97 55.52 2kzn s GLU 77 Cb -0.14 -3.52 0.08 0.00 -0.44 0.00 0.00 34.13 30.11 2kzn s GLU 77 CO -0.05 -0.09 0.01 0.15 0.95 0.00 0.00 175.26 176.23 2kzn s LYS 78 N 1.38 1.37 0.26 -4.83 -0.14 -0.14 -4.98 119.74 112.66 2kzn s LYS 78 Ca 0.31 -1.21 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 2kzn s LYS 78 Cb -0.16 -2.59 -0.10 0.00 -1.68 0.00 0.00 37.83 33.30 2kzn s LYS 78 CO 0.12 -0.77 1.34 -1.17 -0.76 0.00 0.00 175.35 174.12 2kzn s LEU 79 N 1.34 4.41 -0.06 3.17 2.96 -1.26 -1.27 118.68 127.98 2kzn s LEU 79 Ca 0.02 2.57 -0.02 0.00 -0.22 0.00 0.00 54.13 56.48 2kzn s LEU 79 Cb -0.18 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.92 2kzn s LEU 79 CO -0.11 -0.57 0.10 -0.62 -1.32 0.00 0.00 176.35 173.83 2kzn s ASP 80 N 0.05 0.66 -0.74 3.68 -1.08 0.10 -4.94 116.67 114.39 2kzn s ASP 80 Ca 0.55 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.80 2kzn s ASP 80 Cb -0.39 0.06 0.18 0.00 -1.46 0.00 0.00 42.92 41.31 2kzn s ASP 80 CO 0.45 -0.21 0.56 0.42 0.52 0.00 0.00 175.17 176.90 2kzn s THR 81 N 1.90 3.33 0.05 1.71 -4.23 -1.26 -2.40 115.64 114.74 2kzn s THR 81 Ca 0.00 -4.05 -0.33 0.00 -1.18 0.00 0.00 61.69 56.14 2kzn s THR 81 Cb -0.12 -3.15 -0.19 0.00 1.34 0.00 0.00 72.50 70.38 2kzn s THR 81 CO -0.04 -1.01 1.48 -1.28 -0.54 0.00 0.00 174.62 173.23 2kzn h SER 82 N 5.72 -0.85 -2.10 3.99 0.87 -1.95 -3.41 113.55 115.81 2kzn h SER 82 Ca 0.13 0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 60.19 2kzn h SER 82 Cb 0.79 0.22 -0.34 0.00 -0.44 0.00 0.00 62.40 62.63 2kzn h SER 82 CO 0.76 -0.56 -0.89 1.41 -0.53 0.00 0.00 176.83 177.01 2kzn n HIS 83 N -5.49 -1.46 0.00 2.24 8.25 -1.26 -4.96 115.22 112.54 2kzn n HIS 83 Ca -0.14 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.36 2kzn n HIS 83 Cb 0.41 0.48 0.00 0.00 1.12 0.00 0.00 29.99 32.00 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 2.82 2.88 3.82 -1.41 0.00 -1.26 -4.97 105.19 107.08 2kzn n GLY 84 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 3.97 -0.03 1.61 -2.45 -1.26 -5.07 119.30 116.07 2kzn s MET 85 Ca 0.00 0.42 -0.30 0.00 -1.25 0.00 0.00 55.69 54.56 2kzn s MET 85 Cb 0.00 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.81 2kzn s MET 85 CO 0.00 0.64 1.04 0.42 1.05 0.00 0.00 175.02 178.17 2kzn s ILE 86 N -0.92 4.66 0.03 10.11 -1.09 -1.26 -4.14 121.20 128.59 2kzn s ILE 86 Ca 0.24 1.92 -0.21 0.00 -2.23 0.00 0.00 60.65 60.36 2kzn s ILE 86 Cb -0.17 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.53 2kzn s ILE 86 CO 0.13 0.09 0.49 -0.60 -1.23 0.00 0.00 174.94 173.82 2kzn s ARG 87 N 1.43 0.98 -0.01 2.79 3.52 -1.01 -4.89 118.95 121.76 2kzn s ARG 87 Ca 0.52 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.93 2kzn s ARG 87 Cb -0.22 0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 2kzn s ARG 87 CO 0.25 -0.34 -0.11 0.99 -0.81 0.00 0.00 175.30 175.27 2kzn s THR 88 N -2.29 0.91 -0.05 4.11 2.01 -1.23 -0.73 115.64 118.38 2kzn s THR 88 Ca -0.06 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.51 2kzn s THR 88 Cb -0.01 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 2kzn s THR 88 CO -0.01 0.26 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.35 2kzn s GLU 89 N -0.21 2.44 -0.38 4.92 2.02 -0.39 -0.99 118.70 126.11 2kzn s GLU 89 Ca 0.03 -0.86 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 2kzn s GLU 89 Cb -0.05 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 32.00 2kzn s GLU 89 CO -0.00 0.48 0.24 0.14 0.02 0.00 0.00 175.26 176.14 2kzn s VAL 90 N -0.40 4.89 -0.19 2.63 -7.23 -0.76 -0.96 120.40 118.36 2kzn s VAL 90 Ca 0.04 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.20 2kzn s VAL 90 Cb -0.12 -3.70 0.12 0.00 0.56 0.00 0.00 36.38 33.24 2kzn s VAL 90 CO 0.02 -0.24 0.98 0.00 -0.31 0.00 0.00 175.10 175.55 2kzn s ARG 91 N 1.62 0.60 0.42 4.82 3.03 -0.19 -2.14 118.95 127.11 2kzn s ARG 91 Ca 0.04 0.32 0.03 0.00 2.03 0.00 0.00 55.73 58.14 2kzn s ARG 91 Cb -0.19 0.29 0.08 0.00 -1.03 0.00 0.00 34.95 34.10 2kzn s ARG 91 CO 0.08 -0.15 0.58 0.45 -1.13 0.00 0.00 175.30 175.13 2kzn n SER 92 N 1.27 1.12 -0.06 -2.89 2.88 -0.96 -4.51 113.62 110.47 2kzn n SER 92 Ca -0.12 -1.87 -0.21 0.00 -1.33 0.00 0.00 58.87 55.34 2kzn n SER 92 Cb 0.57 -0.35 -0.12 0.00 -0.75 0.00 0.00 64.21 63.56 2kzn n SER 92 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kzn h ARG 93 N 0.00 0.10 0.00 -1.46 2.43 -1.98 -3.14 114.38 110.33 2kzn h ARG 93 Ca -0.19 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2kzn h ARG 93 Cb 0.80 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2kzn h ARG 93 CO 0.24 1.08 -0.01 1.15 -1.51 0.00 0.00 179.97 180.92 2kzn h THR 94 N -0.64 0.00 0.00 0.20 2.02 -2.01 -3.44 112.91 109.04 2kzn h THR 94 Ca -0.35 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2kzn h THR 94 Cb 1.54 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2kzn h THR 94 CO -0.09 0.00 -1.03 0.00 0.37 0.00 0.00 175.52 174.77 2kzn n ALA 95 N -2.16 1.99 1.73 6.16 0.00 -1.26 -4.65 120.51 122.31 2kzn n ALA 95 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kzn n ALA 95 Cb 0.01 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2kzn n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kzn n ASP 96 N -2.24 0.30 0.23 0.00 9.92 -1.26 -3.96 116.55 119.53 2kzn n ASP 96 Ca -0.01 -2.00 0.16 0.00 -0.53 0.00 0.00 54.79 52.41 2kzn n ASP 96 Cb 0.51 -0.13 0.78 0.00 -0.64 0.00 0.00 41.12 41.65 2kzn n ASP 96 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2kzn h SER 97 N 0.06 0.00 0.07 -2.24 4.64 -1.81 -2.54 113.55 111.73 2kzn h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kzn h SER 97 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2kzn h SER 97 CO 0.00 0.00 -0.00 1.41 -0.87 0.00 0.00 176.83 177.37 2kzn n HIS 98 N -2.63 0.00 0.00 4.77 8.25 -1.25 -4.55 115.22 119.80 2kzn n HIS 98 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kzn n HIS 98 Cb 0.12 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2kzn n HIS 98 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kzn n LEU 99 N -0.90 0.00 0.00 2.41 4.77 -1.24 -4.79 117.00 117.25 2kzn n LEU 99 Ca 0.22 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2kzn n LEU 99 Cb 0.15 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2kzn n LEU 99 CO 0.19 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2kzn n GLY 100 N -0.74 -0.57 3.12 -0.72 0.00 -0.91 -3.10 105.19 102.27 2kzn n GLY 100 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 0.91 0.01 1.61 0.09 -0.89 -1.84 115.29 112.19 2kzn s HIS 101 Ca 0.00 -0.55 0.07 0.00 -0.00 0.00 0.00 55.06 54.57 2kzn s HIS 101 Cb 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 32.58 32.04 2kzn s HIS 101 CO 0.00 -0.04 -0.20 0.14 -0.00 0.00 0.00 174.74 174.64 2kzn s VAL 102 N -1.74 1.61 0.12 -0.90 -7.23 -0.16 -0.99 120.40 111.12 2kzn s VAL 102 Ca -0.03 -1.03 0.10 0.00 -1.81 0.00 0.00 61.98 59.21 2kzn s VAL 102 Cb -0.07 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2kzn s VAL 102 CO 0.00 0.32 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.55 2kzn s PHE 103 N -0.64 2.47 -1.39 2.82 0.08 -0.93 -3.56 117.98 116.84 2kzn s PHE 103 Ca 0.07 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.89 2kzn s PHE 103 Cb -0.08 -1.31 0.23 0.00 -0.57 0.00 0.00 43.02 41.28 2kzn s PHE 103 CO 0.01 0.38 1.03 -1.71 -0.10 0.00 0.00 175.22 174.83 2kzn n ASN 104 N 0.79 1.86 -0.33 1.36 2.85 -1.26 -1.46 115.26 119.07 2kzn n ASN 104 Ca -0.16 -2.14 0.12 0.00 -0.11 0.00 0.00 54.58 52.28 2kzn n ASN 104 Cb 0.53 -0.35 0.54 0.00 1.24 0.00 0.00 39.78 41.73 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kzn n ASP 105 N 0.19 1.00 -4.41 1.20 2.03 -1.26 -4.81 116.55 110.49 2kzn n ASP 105 Ca 0.08 -1.49 -0.31 0.00 0.52 0.00 0.00 54.79 53.59 2kzn n ASP 105 Cb 0.37 -0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.59 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kzn s GLY 106 N -1.74 1.46 0.28 0.27 0.00 -1.25 -5.04 107.32 101.30 2kzn s GLY 106 Ca 0.35 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 2kzn s GLY 106 CO 0.28 -0.96 1.06 2.56 0.00 0.00 0.00 173.10 176.04 2kzn s PRO 107 N -0.99 4.64 -0.02 2.90 0.04 -1.26 -3.40 135.00 136.90 2kzn s PRO 107 Ca 0.12 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 2kzn s PRO 107 Cb -0.10 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.35 2kzn s PRO 107 CO 0.02 0.24 0.65 0.41 0.04 0.00 0.00 177.00 178.37 2kzn n GLY 108 N 1.15 0.39 0.19 0.56 0.00 -1.26 -4.64 105.19 101.58 2kzn n GLY 108 Ca -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 0.38 -0.68 1.61 0.11 -1.89 -2.18 132.00 129.34 2kzn h PRO 109 Ca -0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2kzn h PRO 109 Cb 0.59 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2kzn h PRO 109 CO 0.15 0.25 0.00 -1.71 -0.21 0.00 0.00 178.00 176.49 2kzn n ASN 110 N -4.96 4.49 -2.68 -2.05 5.15 -1.26 -4.95 115.26 109.00 2kzn n ASN 110 Ca 0.04 -2.29 -0.18 0.00 -0.60 0.00 0.00 54.58 51.55 2kzn n ASN 110 Cb 0.16 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 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 1.31 -0.50 3.76 8.20 0.00 -0.82 -5.00 105.19 112.13 2kzn n GLY 111 Ca 0.25 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.08 3.38 -0.17 0.99 1.43 -1.22 -4.29 118.68 112.72 2kzn s LEU 112 Ca 0.12 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 2kzn s LEU 112 Cb -0.06 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.34 2kzn s LEU 112 CO 0.15 -0.25 0.31 -0.60 0.23 0.00 0.00 176.35 176.18 2kzn s ARG 113 N -3.86 0.22 0.22 1.70 3.52 -0.53 -4.34 118.95 115.88 2kzn s ARG 113 Ca 0.37 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 2kzn s ARG 113 Cb -0.04 -0.19 -0.10 0.00 -1.56 0.00 0.00 34.95 33.07 2kzn s ARG 113 CO 0.23 -0.38 1.42 1.52 -0.81 0.00 0.00 175.30 177.28 2kzn s TYR 114 N 2.47 3.09 -0.45 5.12 -0.85 0.01 -2.20 117.35 124.54 2kzn s TYR 114 Ca 0.03 1.03 0.03 0.00 -0.52 0.00 0.00 57.07 57.65 2kzn s TYR 114 Cb -0.13 -3.77 0.12 0.00 0.38 0.00 0.00 41.96 38.56 2kzn s TYR 114 CO -0.11 -2.54 0.19 0.00 -1.52 0.00 0.00 175.55 171.57 2kzn s ILE 116 N 0.29 5.38 0.19 0.00 -1.09 -1.25 -2.09 121.20 122.65 2kzn s ILE 116 Ca 0.14 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 2kzn s ILE 116 Cb -0.23 -3.50 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2kzn s ILE 116 CO -0.04 0.42 1.25 0.54 -1.23 0.00 0.00 174.94 175.88 2kzn s ASN 117 N 0.48 6.99 0.45 3.58 2.20 -1.18 -4.17 114.94 123.29 2kzn s ASN 117 Ca 0.09 2.32 0.12 0.00 -0.94 0.00 0.00 52.86 54.46 2kzn s ASN 117 Cb -0.12 -2.61 1.02 0.00 -2.00 0.00 0.00 41.25 37.55 2kzn s ASN 117 CO -0.00 -0.45 2.05 -1.28 -2.94 0.00 0.00 177.10 174.48 2kzn h SER 118 N 5.26 0.15 1.34 3.54 0.87 -1.91 -2.23 113.55 120.57 2kzn h SER 118 Ca -0.45 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2kzn h SER 118 Cb 1.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kzn h SER 118 CO 0.76 0.19 0.00 0.00 -0.53 0.00 0.00 176.83 177.25 2kzn h ALA 119 N 1.83 1.00 0.00 6.23 0.00 -1.94 -2.34 119.26 124.05 2kzn h ALA 119 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kzn h ALA 119 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kzn h ALA 119 CO 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 2kzn n ALA 120 N -1.94 2.58 -2.75 0.00 0.00 -0.84 -4.55 120.51 113.01 2kzn n ALA 120 Ca 0.03 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2kzn n ALA 120 Cb 0.38 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -4.20 3.77 -0.05 0.00 1.43 -0.88 -1.12 118.68 117.63 2kzn s LEU 121 Ca 0.09 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2kzn s LEU 121 Cb 0.14 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2kzn s LEU 121 CO 0.64 0.28 0.16 0.00 0.23 0.00 0.00 176.35 177.66 2kzn s ARG 122 N -1.66 0.27 0.10 1.70 1.70 -0.87 -4.84 118.95 115.35 2kzn s ARG 122 Ca 0.22 0.07 -0.15 0.00 -0.47 0.00 0.00 55.73 55.40 2kzn s ARG 122 Cb -0.12 0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.32 2kzn s ARG 122 CO 0.12 -0.05 0.51 -0.59 -1.08 0.00 0.00 175.30 174.21 2kzn s PHE 123 N -0.30 3.66 -0.25 5.89 -0.71 -1.26 -1.24 117.98 123.78 2kzn s PHE 123 Ca -0.04 1.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.91 2kzn s PHE 123 Cb -0.03 -2.35 0.06 0.00 -1.21 0.00 0.00 43.02 39.50 2kzn s PHE 123 CO 0.01 0.51 -0.05 0.08 -1.34 0.00 0.00 175.22 174.43 2kzn s VAL 124 N -1.33 1.60 0.53 -2.49 1.01 0.23 -4.95 120.40 115.00 2kzn s VAL 124 Ca 0.33 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 2kzn s VAL 124 Cb -0.16 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2kzn s VAL 124 CO 0.18 -0.15 0.69 -2.65 0.00 0.00 0.00 175.10 173.17 2kzn n PRO 125 N 4.63 0.73 -0.24 2.72 -0.02 -1.26 -2.05 135.00 139.50 2kzn n PRO 125 Ca -0.11 0.28 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 2kzn n PRO 125 Cb 0.44 -1.82 0.50 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.58 0.41 -0.01 -0.52 3.64 -1.90 0.47 116.57 119.25 2kzn h LYS 126 Ca -0.45 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 2kzn h LYS 126 Cb 1.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2kzn h LYS 126 CO 0.50 0.27 -0.49 0.45 -2.27 0.00 0.00 179.45 177.92 2kzn h HIS 127 N 0.42 0.02 0.00 1.91 3.86 -1.92 -2.95 115.15 116.50 2kzn h HIS 127 Ca 0.47 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.55 2kzn h HIS 127 Cb 1.14 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 2kzn h HIS 127 CO -0.00 0.50 -1.13 -0.22 0.86 0.00 0.00 177.93 177.94 2kzn h LYS 128 N 0.01 0.00 -0.18 2.45 1.63 -1.31 -3.33 116.57 115.84 2kzn h LYS 128 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2kzn h LYS 128 Cb 0.86 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2kzn h LYS 128 CO 0.06 0.28 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.26 2kzn h LEU 129 N 0.00 0.24 -0.82 5.20 3.38 -0.95 -0.98 115.31 121.38 2kzn h LEU 129 Ca -0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kzn h LEU 129 Cb 1.44 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 2kzn h LEU 129 CO 0.04 0.30 0.54 0.50 0.09 0.00 0.00 178.44 179.91 2kzn h LYS 130 N 0.26 1.05 -0.16 1.13 3.64 -1.66 0.17 116.57 120.99 2kzn h LYS 130 Ca 0.06 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2kzn h LYS 130 Cb 0.20 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2kzn h LYS 130 CO 0.01 0.69 -0.36 0.93 -2.27 0.00 0.00 179.45 178.45 2kzn h GLU 131 N 1.08 0.34 0.00 1.90 4.39 -1.39 -2.80 114.58 118.09 2kzn h GLU 131 Ca 0.31 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kzn h GLU 131 Cb -0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2kzn h GLU 131 CO -0.08 0.66 -0.01 0.39 -1.16 0.00 0.00 179.01 178.80 2kzn n GLU 132 N -4.06 0.14 0.00 2.33 -0.58 -0.64 -4.91 120.64 112.92 2kzn n GLU 132 Ca -0.01 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2kzn n GLU 132 Cb 0.46 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kzn n GLY 133 N 1.40 0.81 0.00 0.62 0.00 -0.26 -5.01 105.19 102.73 2kzn n GLY 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 0.26 1.61 4.11 0.45 -1.41 117.16 122.18 2kzn n TYR 134 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.90 58.06 2kzn n TYR 134 Cb 0.00 -0.37 0.90 0.00 -0.00 0.00 0.00 39.34 39.87 2kzn n TYR 134 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.86 177.91 2kzn h GLU 135 N 0.00 0.00 0.02 -3.48 4.11 -1.92 0.21 114.58 113.51 2kzn h GLU 135 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 2kzn h GLU 135 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2kzn h GLU 135 CO 0.00 0.00 -1.51 0.45 0.07 0.00 0.00 179.01 178.02 2kzn n SER 136 N -3.75 1.91 0.11 3.06 2.88 -0.50 -4.47 113.62 112.86 2kzn n SER 136 Ca -0.01 0.38 -0.07 0.00 -1.33 0.00 0.00 58.87 57.84 2kzn n SER 136 Cb 0.19 -0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 2kzn n SER 136 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2kzn h TYR 137 N -0.85 -0.35 0.00 0.66 -1.99 -1.38 -3.23 116.97 109.83 2kzn h TYR 137 Ca -0.40 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 2kzn h TYR 137 Cb 1.44 0.12 -0.00 0.00 2.00 0.00 0.00 36.73 40.29 2kzn h TYR 137 CO 0.07 -0.18 -0.07 -0.07 -0.00 0.00 0.00 178.16 177.91 2kzn h LEU 138 N -1.09 0.00 -1.37 3.88 4.07 -0.95 -0.45 115.31 119.41 2kzn h LEU 138 Ca -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 2kzn h LEU 138 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2kzn h LEU 138 CO 0.06 0.07 -0.03 -0.74 -1.08 0.00 0.00 178.44 176.72 2kzn h HIS 139 N 0.00 0.39 0.09 1.13 2.76 -1.62 -1.56 115.15 116.34 2kzn h HIS 139 Ca -0.00 -0.03 -0.37 0.00 -2.20 0.00 0.00 60.37 57.77 2kzn h HIS 139 Cb 0.49 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 2kzn h HIS 139 CO 0.00 0.42 -2.08 1.28 -1.30 0.00 0.00 177.93 176.25 2kzn n LEU 140 N -4.31 2.57 0.25 0.26 4.77 -0.80 -4.11 117.00 115.64 2kzn n LEU 140 Ca 0.00 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2kzn n LEU 140 Cb 0.23 -0.99 0.65 0.00 -2.33 0.00 0.00 43.42 40.98 2kzn n LEU 140 CO 0.38 0.84 0.98 0.15 -1.33 0.00 0.00 177.39 178.41 2kzn h PHE 141 N 0.05 0.00 -2.82 -1.77 3.57 -1.11 -3.40 116.94 111.46 2kzn h PHE 141 Ca -0.45 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.41 2kzn h PHE 141 Cb 2.01 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.70 2kzn h PHE 141 CO 0.06 0.12 -0.49 1.21 -2.23 0.00 0.00 178.31 176.98 2kzn s ASN 142 N -6.64 6.37 -0.26 0.41 2.47 -0.59 -4.64 114.94 112.06 2kzn s ASN 142 Ca -0.04 0.34 -0.28 0.00 0.42 0.00 0.00 52.86 53.30 2kzn s ASN 142 Cb 0.15 -2.00 0.01 0.00 -1.45 0.00 0.00 41.25 37.96 2kzn s ASN 142 CO 0.64 0.26 1.02 -0.54 -3.72 0.00 0.00 177.10 174.75 2kzn s LYS 143 N -1.98 4.19 -1.32 0.43 1.02 -1.26 -4.77 119.74 116.04 2kzn s LYS 143 Ca 0.28 1.21 -0.14 0.00 0.02 0.00 0.00 55.97 57.34 2kzn s LYS 143 Cb -0.13 -3.67 0.10 0.00 -0.52 0.00 0.00 37.83 33.62 2kzn s LYS 143 CO 0.19 -0.69 1.85 -0.11 -0.92 0.00 0.00 175.35 175.67 2kzn n LEU 144 N 6.42 5.91 -4.56 3.17 -0.00 -1.26 -4.94 117.00 121.74 2kzn n LEU 144 Ca 0.11 -4.25 -0.41 0.00 -0.00 0.00 0.00 56.01 51.46 2kzn n LEU 144 Cb 0.47 -1.64 -0.03 0.00 -0.00 0.00 0.00 43.42 42.22 2kzn n LEU 144 CO 0.53 0.80 1.16 -0.70 -0.00 0.00 0.00 177.39 179.18 2kzn s GLU 145 N 2.59 3.28 0.46 1.96 2.12 -1.26 -5.01 118.70 122.83 2kzn s GLU 145 Ca 0.47 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.84 2kzn s GLU 145 Cb 0.07 -4.13 0.03 0.00 0.26 0.00 0.00 34.13 30.35 2kzn s GLU 145 CO -0.00 -2.02 0.62 -3.38 -0.54 0.00 0.00 175.26 169.94 2kzn s HIS 146 N 5.62 2.54 -2.28 5.30 -3.43 -1.26 -5.33 115.29 116.45 2kzn s HIS 146 Ca 0.39 -0.45 0.30 0.00 -0.80 0.00 0.00 55.06 54.50 2kzn s HIS 146 Cb -0.08 -2.37 1.43 0.00 -1.43 0.00 0.00 32.58 30.13 2kzn s HIS 146 CO 0.19 -0.58 1.96 1.58 -2.00 0.00 0.00 174.74 175.88