#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 0.77 -0.03 3.04 0.00 -1.26 -5.13 121.76 119.15 2kzn s ALA 2 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 2kzn s ALA 2 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2kzn s ALA 2 CO 0.00 -2.11 1.07 0.71 0.00 0.00 0.00 175.76 175.43 2kzn s TYR 3 N 1.08 3.49 1.09 0.00 1.51 -1.26 -5.06 117.35 118.20 2kzn s TYR 3 Ca 0.18 1.51 -0.17 0.00 -1.01 0.00 0.00 57.07 57.58 2kzn s TYR 3 Cb -0.21 -3.25 0.24 0.00 -0.11 0.00 0.00 41.96 38.63 2kzn s TYR 3 CO -0.00 -0.54 1.16 -0.80 -1.11 0.00 0.00 175.55 174.26 2kzn s ASN 4 N 1.13 1.88 0.09 2.29 -0.87 -1.26 -4.70 114.94 113.50 2kzn s ASN 4 Ca 0.53 0.66 -0.26 0.00 -1.57 0.00 0.00 52.86 52.21 2kzn s ASN 4 Cb -0.22 -0.95 -0.10 0.00 -0.02 0.00 0.00 41.25 39.96 2kzn s ASN 4 CO 0.24 -3.53 1.43 0.11 -2.57 0.00 0.00 177.10 172.77 2kzn h LYS 5 N -2.18 -0.47 -0.94 -0.60 6.56 -1.99 -0.21 116.57 116.74 2kzn h LYS 5 Ca -0.47 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2kzn h LYS 5 Cb 1.29 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 33.01 2kzn h LYS 5 CO 0.41 -0.31 0.59 1.05 -2.06 0.00 0.00 179.45 179.13 2kzn h GLU 6 N -0.48 1.27 -0.65 3.15 9.09 -1.98 -1.18 114.58 123.79 2kzn h GLU 6 Ca 0.02 -0.10 0.08 0.00 0.05 0.00 0.00 59.36 59.40 2kzn h GLU 6 Cb 0.54 -0.27 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 2kzn h GLU 6 CO -0.31 0.87 0.43 0.93 0.05 0.00 0.00 179.01 180.99 2kzn h GLU 7 N 1.29 0.57 0.01 1.06 4.39 -1.75 -0.58 114.58 119.57 2kzn h GLU 7 Ca 0.34 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.83 2kzn h GLU 7 Cb -0.08 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2kzn h GLU 7 CO -0.07 0.38 -0.68 0.87 -1.16 0.00 0.00 179.01 178.35 2kzn h LYS 8 N 0.59 0.45 -0.49 2.33 1.57 -0.38 -3.30 116.57 117.33 2kzn h LYS 8 Ca 0.29 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2kzn h LYS 8 Cb 0.38 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2kzn h LYS 8 CO -0.09 1.15 0.26 0.82 -0.57 0.00 0.00 179.45 181.01 2kzn h ILE 9 N -0.05 1.15 -0.69 1.86 1.08 -0.62 -0.13 117.51 120.12 2kzn h ILE 9 Ca -0.09 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 63.94 2kzn h ILE 9 Cb 1.39 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 2kzn h ILE 9 CO 0.13 0.17 0.20 0.11 -0.69 0.00 0.00 178.15 178.08 2kzn h LYS 10 N 0.67 1.08 0.03 2.37 1.79 -1.20 -0.50 116.57 120.80 2kzn h LYS 10 Ca 0.17 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2kzn h LYS 10 Cb 0.03 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2kzn h LYS 10 CO -0.03 0.94 -0.02 1.03 -1.08 0.00 0.00 179.45 180.29 2kzn h SER 11 N 1.01 -0.04 -0.15 0.86 0.87 -1.58 -3.32 113.55 111.21 2kzn h SER 11 Ca 0.22 -0.46 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 2kzn h SER 11 Cb 0.32 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 2kzn h SER 11 CO -0.00 0.67 -0.39 0.25 -0.53 0.00 0.00 176.83 176.83 2kzn h LEU 12 N -0.98 -1.21 -1.41 2.23 5.85 -1.05 -2.78 115.31 115.96 2kzn h LEU 12 Ca -0.00 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2kzn h LEU 12 Cb 0.50 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2kzn h LEU 12 CO 0.01 -0.40 -0.12 0.78 -0.34 0.00 0.00 178.44 178.36 2kzn h ASN 13 N -0.45 0.00 -0.11 1.25 -0.26 -1.29 -1.35 115.58 113.38 2kzn h ASN 13 Ca 0.09 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 2kzn h ASN 13 Cb 0.60 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 2kzn h ASN 13 CO -0.39 0.12 0.01 -0.09 -1.06 0.00 0.00 177.43 176.02 2kzn h ARG 14 N 0.00 0.19 0.28 0.81 2.43 -1.60 -1.41 114.38 115.08 2kzn h ARG 14 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2kzn h ARG 14 Cb 0.58 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2kzn h ARG 14 CO 0.02 0.41 -0.13 0.52 -1.51 0.00 0.00 179.97 179.27 2kzn h MET 15 N -0.07 -0.36 -0.57 0.20 2.86 -1.11 -1.62 114.93 114.26 2kzn h MET 15 Ca 0.03 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 2kzn h MET 15 Cb 0.32 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2kzn h MET 15 CO 0.00 -0.15 0.03 1.96 1.06 0.00 0.00 176.91 179.81 2kzn h GLN 16 N -0.50 0.95 -0.56 1.72 4.20 -1.38 -0.53 115.11 119.01 2kzn h GLN 16 Ca -0.04 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.42 2kzn h GLN 16 Cb 0.38 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2kzn h GLN 16 CO 0.06 0.93 0.35 -0.92 -0.67 0.00 0.00 178.83 178.58 2kzn h TYR 17 N 0.89 0.66 -0.28 2.96 3.20 -1.23 -1.71 116.97 121.46 2kzn h TYR 17 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2kzn h TYR 17 Cb 0.48 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2kzn h TYR 17 CO 0.03 0.40 -0.09 1.49 -1.64 0.00 0.00 178.16 178.35 2kzn h GLU 18 N 0.71 0.45 0.21 1.82 4.57 -0.71 -1.96 114.58 119.67 2kzn h GLU 18 Ca 0.21 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2kzn h GLU 18 Cb -0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2kzn h GLU 18 CO -0.07 0.55 -0.10 0.28 -1.18 0.00 0.00 179.01 178.49 2kzn h VAL 19 N 0.42 0.00 0.00 0.32 2.07 -0.73 -3.26 116.25 115.07 2kzn h VAL 19 Ca 0.08 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2kzn h VAL 19 Cb 0.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2kzn h VAL 19 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2kzn h THR 20 N -0.32 0.00 -0.43 2.57 1.03 -1.35 0.52 112.91 114.93 2kzn h THR 20 Ca -0.03 -0.18 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 2kzn h THR 20 Cb 0.22 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 2kzn h THR 20 CO 0.05 0.00 0.21 -0.61 -0.01 0.00 0.00 175.52 175.15 2kzn h GLN 21 N 0.00 0.60 -0.00 0.00 -0.00 -1.39 -3.06 115.11 111.26 2kzn h GLN 21 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2kzn h GLN 21 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.55 2kzn h GLN 21 CO 0.00 0.47 -0.03 -1.71 0.00 0.00 0.00 178.83 177.56 2kzn n ASN 22 N -4.40 0.54 -3.61 -0.69 4.05 -0.66 -5.02 115.26 105.49 2kzn n ASN 22 Ca 0.03 -0.77 -0.22 0.00 0.45 0.00 0.00 54.58 54.07 2kzn n ASN 22 Cb 0.12 0.55 0.06 0.00 1.23 0.00 0.00 39.78 41.74 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2kzn n ASN 23 N -0.53 -3.25 -3.95 1.20 5.03 0.17 -5.03 115.26 108.90 2kzn n ASN 23 Ca 0.01 -0.67 -0.30 0.00 0.87 0.00 0.00 54.58 54.48 2kzn n ASN 23 Cb 0.03 -4.66 0.21 0.00 -1.02 0.00 0.00 39.78 34.34 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kzn s GLY 24 N -3.97 1.69 -0.05 7.41 0.00 -0.23 -4.95 107.32 107.23 2kzn s GLY 24 Ca 0.24 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2kzn s GLY 24 CO 0.76 -0.26 0.01 -1.08 0.00 0.00 0.00 173.10 172.53 2kzn s THR 25 N -3.46 0.24 0.22 0.90 -1.32 -1.26 -4.80 115.64 106.15 2kzn s THR 25 Ca 0.73 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 61.41 2kzn s THR 25 Cb -0.06 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 2kzn s THR 25 CO 0.54 0.20 0.04 -1.61 -2.21 0.00 0.00 174.62 171.59 2kzn s GLU 26 N 1.53 2.50 0.21 7.08 8.01 -1.26 -5.08 118.70 131.69 2kzn s GLU 26 Ca -0.02 -1.17 -0.32 0.00 0.01 0.00 0.00 54.97 53.46 2kzn s GLU 26 Cb -0.13 -2.36 -0.13 0.00 -4.31 0.00 0.00 34.13 27.21 2kzn s GLU 26 CO -0.03 0.42 1.60 -2.30 0.01 0.00 0.00 175.26 174.96 2kzn n PRO 27 N -0.56 2.41 0.33 0.39 -0.02 -1.26 -4.40 135.00 131.89 2kzn n PRO 27 Ca -0.08 0.87 0.21 0.00 -2.02 0.00 0.00 63.50 62.48 2kzn n PRO 27 Cb 0.57 -2.65 1.15 0.00 -0.02 0.00 0.00 33.50 32.55 2kzn n PRO 27 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kzn h PRO 28 N 5.81 0.00 0.00 0.52 0.11 -1.85 -3.46 132.00 133.13 2kzn h PRO 28 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kzn h PRO 28 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kzn h PRO 28 CO 0.88 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.86 2kzn n PHE 29 N -3.11 0.00 0.12 0.65 3.72 -1.26 -4.54 117.46 113.04 2kzn n PHE 29 Ca -0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 2kzn n PHE 29 Cb 0.11 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 2kzn n PHE 29 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2kzn h GLN 30 N 0.00 -0.32 -1.67 -1.08 4.20 -1.96 -3.47 115.11 110.80 2kzn h GLN 30 Ca 0.00 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.77 2kzn h GLN 30 Cb 0.00 0.07 -0.24 0.00 0.30 0.00 0.00 27.48 27.61 2kzn h GLN 30 CO 0.00 0.01 0.42 1.21 -0.67 0.00 0.00 178.83 179.80 2kzn s ASN 31 N -5.18 -0.48 0.16 1.46 3.84 -1.26 -5.03 114.94 108.45 2kzn s ASN 31 Ca -0.14 0.77 -0.11 0.00 0.21 0.00 0.00 52.86 53.59 2kzn s ASN 31 Cb 0.02 0.72 0.02 0.00 -0.55 0.00 0.00 41.25 41.46 2kzn s ASN 31 CO 0.56 -0.27 1.58 -0.33 -2.79 0.00 0.00 177.10 175.85 2kzn h GLU 32 N 3.63 0.98 0.00 0.43 3.07 -1.95 -3.22 114.58 117.52 2kzn h GLU 32 Ca -0.25 -0.37 -0.11 0.00 -0.50 0.00 0.00 59.36 58.13 2kzn h GLU 32 Cb 1.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 2kzn h GLU 32 CO 0.20 1.05 -2.04 0.98 -1.40 0.00 0.00 179.01 177.80 2kzn n TYR 33 N -4.18 0.00 -3.45 4.33 9.36 -1.26 -4.83 117.16 117.12 2kzn n TYR 33 Ca 0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.04 2kzn n TYR 33 Cb 0.40 -0.61 0.06 0.00 -0.63 0.00 0.00 39.34 38.57 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 -2.36 -2.20 0.22 2.98 8.01 -1.22 -4.90 117.44 117.98 2kzn n TRP 34 Ca -0.12 0.82 0.08 0.00 -1.31 0.00 0.00 57.50 56.96 2kzn n TRP 34 Cb 0.71 -4.35 0.52 0.00 -2.01 0.00 0.00 31.31 26.18 2kzn n TRP 34 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.69 177.06 2kzn h ASP 35 N -1.58 0.00 -0.88 -0.99 2.03 -1.94 -3.35 116.42 109.70 2kzn h ASP 35 Ca -0.61 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 55.28 2kzn h ASP 35 Cb 1.34 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.77 2kzn h ASP 35 CO 0.49 0.24 1.02 -1.00 -1.03 0.00 0.00 179.24 178.96 2kzn s HIS 36 N -4.15 2.08 -0.43 4.15 3.76 -1.26 -4.79 115.29 114.65 2kzn s HIS 36 Ca -0.02 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.01 2kzn s HIS 36 Cb 0.13 -4.29 0.39 0.00 1.11 0.00 0.00 32.58 29.93 2kzn s HIS 36 CO 0.66 -1.82 1.32 0.36 -0.85 0.00 0.00 174.74 174.40 2kzn n LYS 37 N 8.87 2.39 -1.72 1.40 2.85 -1.26 -4.99 118.16 125.71 2kzn n LYS 37 Ca 0.37 -1.62 -0.42 0.00 -1.05 0.00 0.00 58.31 55.59 2kzn n LYS 37 Cb 0.48 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 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 -0.00 2.80 -1.62 -1.58 1.02 -1.26 -4.84 120.64 115.15 2kzn n GLU 38 Ca 0.23 1.01 -0.46 0.00 -0.02 0.00 0.00 57.16 57.92 2kzn n GLU 38 Cb 0.93 -2.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 2kzn n GLU 38 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kzn n GLU 39 N 4.21 1.60 0.00 3.49 1.02 -1.26 -4.55 120.64 125.15 2kzn n GLU 39 Ca 0.16 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2kzn n GLU 39 Cb 0.35 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2kzn n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kzn n GLY 40 N 1.82 -0.53 3.36 0.62 0.00 -1.26 -1.58 105.19 107.62 2kzn n GLY 40 Ca 0.12 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 1.74 -0.08 0.99 1.43 -0.39 -1.39 118.68 120.99 2kzn s LEU 41 Ca 0.00 -1.63 0.04 0.00 -1.03 0.00 0.00 54.13 51.52 2kzn s LEU 41 Cb 0.00 0.23 -0.00 0.00 0.03 0.00 0.00 46.19 46.44 2kzn s LEU 41 CO 0.00 -0.94 -0.22 -0.72 0.23 0.00 0.00 176.35 174.70 2kzn s TYR 42 N -3.50 2.33 0.25 0.29 -0.85 -0.81 -1.48 117.35 113.58 2kzn s TYR 42 Ca 0.34 -0.86 0.01 0.00 -0.52 0.00 0.00 57.07 56.05 2kzn s TYR 42 Cb 0.04 -1.56 -0.05 0.00 0.38 0.00 0.00 41.96 40.77 2kzn s TYR 42 CO 0.19 -0.33 0.08 0.14 -1.52 0.00 0.00 175.55 174.12 2kzn s VAL 43 N 0.22 0.60 0.08 -3.49 -7.23 -0.70 -2.82 120.40 107.07 2kzn s VAL 43 Ca -0.13 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 2kzn s VAL 43 Cb -0.16 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 2kzn s VAL 43 CO 0.06 -0.05 0.97 1.51 -0.31 0.00 0.00 175.10 177.28 2kzn s ASP 44 N -3.31 7.46 0.45 4.85 -4.77 -1.24 -1.61 116.67 118.50 2kzn s ASP 44 Ca 0.36 1.76 0.17 0.00 -3.30 0.00 0.00 52.55 51.55 2kzn s ASP 44 Cb 0.08 -2.58 1.07 0.00 -1.09 0.00 0.00 42.92 40.39 2kzn s ASP 44 CO 0.13 -0.13 1.99 0.40 0.70 0.00 0.00 175.17 178.26 2kzn h ILE 45 N 4.25 1.02 0.00 2.11 2.04 -1.63 -1.04 117.51 124.26 2kzn h ILE 45 Ca -0.42 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 2kzn h ILE 45 Cb 1.21 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2kzn h ILE 45 CO 0.73 0.19 -0.17 -0.37 0.00 0.00 0.00 178.15 178.52 2kzn h VAL 46 N 0.00 0.86 0.00 1.67 -1.51 -1.94 -3.38 116.25 111.96 2kzn h VAL 46 Ca -0.00 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2kzn h VAL 46 Cb 0.37 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2kzn h VAL 46 CO 0.03 0.17 0.00 -1.54 -1.23 0.00 0.00 177.57 175.00 2kzn n SER 47 N -3.95 0.00 -0.70 4.19 3.41 -1.25 -5.01 113.62 110.32 2kzn n SER 47 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2kzn n SER 47 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kzn n GLY 48 N 0.00 0.62 3.80 5.00 0.00 -0.39 -5.07 105.19 109.14 2kzn n GLY 48 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.48 4.04 -0.05 1.61 3.01 -1.26 -4.92 119.74 118.69 2kzn s LYS 49 Ca 0.00 0.34 -0.30 0.00 -1.01 0.00 0.00 55.97 55.00 2kzn s LYS 49 Cb 0.00 -3.30 -0.06 0.00 -1.01 0.00 0.00 37.83 33.46 2kzn s LYS 49 CO 0.00 0.51 1.73 -1.25 0.51 0.00 0.00 175.35 176.84 2kzn s PRO 50 N -0.46 4.12 -0.11 -1.68 0.04 -1.26 -3.65 135.00 132.00 2kzn s PRO 50 Ca 0.23 2.23 0.12 0.00 0.04 0.00 0.00 61.00 63.62 2kzn s PRO 50 Cb -0.16 -4.03 -0.18 0.00 0.04 0.00 0.00 34.50 30.18 2kzn s PRO 50 CO 0.11 -0.93 0.10 1.28 0.04 0.00 0.00 177.00 177.60 2kzn n LEU 51 N 7.42 0.00 -3.61 -3.56 4.77 -1.13 -4.73 117.00 116.17 2kzn n LEU 51 Ca 0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2kzn n LEU 51 Cb 0.43 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2kzn n LEU 51 CO 0.64 0.26 1.01 0.12 -1.33 0.00 0.00 177.39 178.09 2kzn s PHE 52 N -2.46 -0.10 0.16 -1.77 5.36 -1.21 0.03 117.98 117.99 2kzn s PHE 52 Ca -0.06 0.03 -0.14 0.00 -0.96 0.00 0.00 56.93 55.80 2kzn s PHE 52 Cb 0.05 0.53 -0.07 0.00 -0.34 0.00 0.00 43.02 43.19 2kzn s PHE 52 CO 0.55 -0.25 0.56 0.95 -1.46 0.00 0.00 175.22 175.57 2kzn s THR 53 N -2.45 4.86 -0.01 0.12 -4.23 -1.26 -1.93 115.64 110.73 2kzn s THR 53 Ca 0.11 0.79 0.30 0.00 -1.18 0.00 0.00 61.69 61.71 2kzn s THR 53 Cb 0.01 -3.72 0.37 0.00 1.34 0.00 0.00 72.50 70.50 2kzn s THR 53 CO -0.04 0.19 1.89 -1.28 -0.54 0.00 0.00 174.62 174.83 2kzn h SER 54 N 3.37 0.00 -0.74 3.99 0.87 -1.50 -2.61 113.55 116.94 2kzn h SER 54 Ca -0.48 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.27 2kzn h SER 54 Cb 1.19 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2kzn h SER 54 CO 0.66 0.02 0.52 0.50 -0.53 0.00 0.00 176.83 178.00 2kzn h LYS 55 N 0.00 0.13 -0.11 2.24 3.64 -1.90 -3.16 116.57 117.40 2kzn h LYS 55 Ca -0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2kzn h LYS 55 Cb 0.64 -0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.18 2kzn h LYS 55 CO 0.00 0.08 -0.65 -0.40 -2.27 0.00 0.00 179.45 176.22 2kzn n ASP 56 N -4.38 -0.09 -4.84 4.20 5.75 -1.23 -5.13 116.55 110.83 2kzn n ASP 56 Ca 0.15 -2.08 -0.32 0.00 -0.01 0.00 0.00 54.79 52.54 2kzn n ASP 56 Cb 0.72 0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.96 3.59 -0.10 0.11 0.00 -0.99 -4.94 119.74 116.45 2kzn s LYS 57 Ca 0.16 0.94 0.03 0.00 0.00 0.00 0.00 55.97 57.11 2kzn s LYS 57 Cb 0.30 -2.08 -0.01 0.00 0.00 0.00 0.00 37.83 36.04 2kzn s LYS 57 CO -0.08 -0.57 -0.20 0.12 0.00 0.00 0.00 175.35 174.61 2kzn s PHE 58 N -2.81 2.62 0.11 1.78 5.36 -1.26 -5.03 117.98 118.74 2kzn s PHE 58 Ca 0.58 -0.80 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 2kzn s PHE 58 Cb -0.12 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.80 2kzn s PHE 58 CO 0.42 -0.27 0.26 0.16 -1.46 0.00 0.00 175.22 174.33 2kzn s ASP 59 N 0.16 6.36 -0.03 6.13 1.47 -1.26 -4.08 116.67 125.42 2kzn s ASP 59 Ca -0.11 0.24 -0.02 0.00 1.18 0.00 0.00 52.55 53.84 2kzn s ASP 59 Cb -0.16 -1.94 0.01 0.00 -0.34 0.00 0.00 42.92 40.49 2kzn s ASP 59 CO 0.06 0.10 0.07 -0.44 0.68 0.00 0.00 175.17 175.64 2kzn s SER 60 N -2.90 -0.05 0.00 2.11 0.01 -1.26 -4.75 113.70 106.86 2kzn s SER 60 Ca 0.35 0.13 0.28 0.00 1.31 0.00 0.00 55.95 58.02 2kzn s SER 60 Cb -0.12 0.11 1.47 0.00 0.21 0.00 0.00 66.02 67.69 2kzn s SER 60 CO 0.28 -0.05 1.97 1.67 0.41 0.00 0.00 173.24 177.53 2kzn n GLN 61 N 3.30 0.52 0.00 12.44 7.27 -1.26 -4.03 117.38 135.62 2kzn n GLN 61 Ca -0.15 0.02 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2kzn n GLN 61 Cb 0.58 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 0.48 2.01 3.74 0.00 0.00 -1.26 -4.88 105.19 105.28 2kzn n GLY 63 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 3.49 -0.06 1.61 0.51 -1.26 -4.86 118.94 118.37 2kzn s TRP 64 Ca 0.00 0.64 -0.30 0.00 -2.12 0.00 0.00 56.10 54.32 2kzn s TRP 64 Cb 0.00 -2.33 -0.08 0.00 -0.81 0.00 0.00 33.47 30.25 2kzn s TRP 64 CO 0.00 0.29 2.06 -0.35 -0.51 0.00 0.00 176.95 178.44 2kzn n PRO 65 N 3.38 2.51 -3.24 4.98 -0.04 -1.22 -4.60 135.00 136.77 2kzn n PRO 65 Ca -0.12 0.85 -0.44 0.00 -0.04 0.00 0.00 63.50 63.75 2kzn n PRO 65 Cb 0.52 -3.07 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kzn s SER 66 N 5.85 6.19 0.08 3.54 0.01 -1.26 -2.67 113.70 125.44 2kzn s SER 66 Ca 0.94 -1.24 -0.22 0.00 1.31 0.00 0.00 55.95 56.74 2kzn s SER 66 Cb -0.41 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2kzn s SER 66 CO 0.40 -0.85 0.65 -0.36 0.41 0.00 0.00 173.24 173.49 2kzn s PHE 67 N 2.22 3.80 0.15 2.43 0.08 -0.17 -4.62 117.98 121.87 2kzn s PHE 67 Ca 0.10 1.38 0.19 0.00 0.12 0.00 0.00 56.93 58.71 2kzn s PHE 67 Cb -0.23 -2.63 0.65 0.00 -0.57 0.00 0.00 43.02 40.24 2kzn s PHE 67 CO 0.08 0.48 1.72 1.15 -0.10 0.00 0.00 175.22 178.55 2kzn h THR 68 N 3.68 0.87 -2.68 0.64 2.02 -1.88 -2.03 112.91 113.54 2kzn h THR 68 Ca -0.47 -1.55 -0.12 0.00 0.77 0.00 0.00 66.41 65.04 2kzn h THR 68 Cb 1.21 1.95 -0.25 0.00 -1.74 0.00 0.00 68.15 69.32 2kzn h THR 68 CO 0.66 0.37 -0.26 -0.75 0.37 0.00 0.00 175.52 175.92 2kzn s LYS 69 N -3.57 0.44 0.07 6.66 2.47 -1.26 -4.52 119.74 120.03 2kzn s LYS 69 Ca 0.00 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.11 2kzn s LYS 69 Cb 0.11 0.11 0.01 0.00 -1.46 0.00 0.00 37.83 36.60 2kzn s LYS 69 CO 0.69 -0.11 0.10 -0.35 0.16 0.00 0.00 175.35 175.84 2kzn n PRO 70 N 3.56 0.81 -3.45 4.03 -0.04 -1.26 -4.86 135.00 133.79 2kzn n PRO 70 Ca -0.18 -0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 62.54 2kzn n PRO 70 Cb 0.56 -0.04 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.35 5.22 -0.64 0.52 1.01 0.10 -4.86 121.20 122.90 2kzn s ILE 71 Ca 0.07 -0.17 0.24 0.00 0.00 0.00 0.00 60.65 60.79 2kzn s ILE 71 Cb -0.00 -3.81 0.25 0.00 0.01 0.00 0.00 42.46 38.90 2kzn s ILE 71 CO 0.05 -0.11 1.72 -0.62 0.00 0.00 0.00 174.94 175.97 2kzn n GLU 72 N 5.27 0.18 -0.07 2.79 4.71 -1.26 -1.67 120.64 130.59 2kzn n GLU 72 Ca -0.10 0.32 -0.13 0.00 -0.01 0.00 0.00 57.16 57.24 2kzn n GLU 72 Cb 0.49 -1.79 -0.06 0.00 -1.01 0.00 0.00 31.44 29.07 2kzn n GLU 72 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2kzn h GLU 73 N 0.00 0.45 0.04 3.49 4.81 -1.95 -3.35 114.58 118.08 2kzn h GLU 73 Ca 0.00 -0.22 -0.36 0.00 -0.13 0.00 0.00 59.36 58.65 2kzn h GLU 73 Cb 0.47 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2kzn h GLU 73 CO 0.00 0.78 -2.13 -1.91 -0.73 0.00 0.00 179.01 175.02 2kzn n GLU 74 N -4.50 0.69 -3.06 1.92 4.07 -1.17 -4.93 120.64 113.66 2kzn n GLU 74 Ca -0.05 0.19 -0.40 0.00 -0.06 0.00 0.00 57.16 56.84 2kzn n GLU 74 Cb 0.37 -1.65 -0.05 0.00 -0.06 0.00 0.00 31.44 30.06 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kzn s VAL 75 N -2.55 5.04 -0.17 6.31 1.01 -0.67 -3.17 120.40 126.20 2kzn s VAL 75 Ca -0.19 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2kzn s VAL 75 Cb 0.07 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2kzn s VAL 75 CO 0.75 0.23 -0.15 -1.61 0.00 0.00 0.00 175.10 174.31 2kzn s GLU 76 N 0.99 3.16 -0.20 2.72 2.02 -1.18 -4.56 118.70 121.64 2kzn s GLU 76 Ca 0.36 -0.76 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 2kzn s GLU 76 Cb -0.17 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 2kzn s GLU 76 CO 0.16 -0.09 0.74 -2.00 0.02 0.00 0.00 175.26 174.09 2kzn s GLU 77 N 1.07 4.23 -0.25 1.61 2.12 -1.26 -1.71 118.70 124.50 2kzn s GLU 77 Ca -0.00 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.13 2kzn s GLU 77 Cb -0.14 -3.60 0.08 0.00 0.26 0.00 0.00 34.13 30.73 2kzn s GLU 77 CO -0.05 -0.34 0.03 0.21 -0.54 0.00 0.00 175.26 174.58 2kzn s LYS 78 N 2.22 0.98 0.45 4.30 2.36 -0.10 -5.01 119.74 124.95 2kzn s LYS 78 Ca 0.33 -0.88 -0.23 0.00 -2.55 0.00 0.00 55.97 52.65 2kzn s LYS 78 Cb -0.16 -2.26 -0.08 0.00 -1.05 0.00 0.00 37.83 34.28 2kzn s LYS 78 CO 0.10 -0.76 1.12 -1.17 1.55 0.00 0.00 175.35 176.19 2kzn s LEU 79 N 1.60 4.02 0.05 5.43 2.96 -1.26 -1.12 118.68 130.36 2kzn s LEU 79 Ca 0.02 2.19 -0.04 0.00 -0.22 0.00 0.00 54.13 56.09 2kzn s LEU 79 Cb -0.18 -4.26 -0.02 0.00 0.50 0.00 0.00 46.19 42.23 2kzn s LEU 79 CO -0.13 -0.80 0.05 -0.62 -1.32 0.00 0.00 176.35 173.53 2kzn s ASP 80 N -1.48 0.28 0.00 3.68 2.15 0.40 -4.90 116.67 116.80 2kzn s ASP 80 Ca 0.63 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2kzn s ASP 80 Cb -0.26 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.58 2kzn s ASP 80 CO 0.31 -0.54 0.48 1.07 -0.17 0.00 0.00 175.17 176.33 2kzn n THR 81 N 0.57 0.00 -0.17 1.71 5.66 -1.26 -1.44 114.28 119.34 2kzn n THR 81 Ca -0.18 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 2kzn n THR 81 Cb 0.59 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kzn h SER 82 N 0.00 0.97 -0.42 1.09 0.02 -1.96 -3.27 113.55 109.98 2kzn h SER 82 Ca 0.00 -0.35 -0.25 0.00 -0.84 0.00 0.00 61.79 60.35 2kzn h SER 82 Cb 1.08 -0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.23 2kzn h SER 82 CO 0.00 1.10 0.32 1.57 -1.14 0.00 0.00 176.83 178.68 2kzn n HIS 83 N -4.20 1.33 -0.92 3.45 -0.00 -1.26 -4.78 115.22 108.83 2kzn n HIS 83 Ca 0.01 -1.47 0.00 0.00 -0.00 0.00 0.00 57.72 56.26 2kzn n HIS 83 Cb 0.39 -0.73 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kzn n GLY 84 N 0.15 0.28 2.93 1.57 0.00 -1.23 -4.97 105.19 103.93 2kzn n GLY 84 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 2kzn n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kzn s MET 85 N -0.96 0.32 -0.22 1.61 -1.94 -1.26 -5.12 119.30 111.73 2kzn s MET 85 Ca 0.00 -0.13 -0.29 0.00 -1.71 0.00 0.00 55.69 53.56 2kzn s MET 85 Cb 0.00 -0.31 -0.00 0.00 2.01 0.00 0.00 34.83 36.53 2kzn s MET 85 CO 0.00 0.07 1.17 -1.50 -0.01 0.00 0.00 175.02 174.75 2kzn s ILE 86 N -0.05 4.43 0.24 2.53 1.10 -1.26 -4.06 121.20 124.13 2kzn s ILE 86 Ca 0.01 1.71 -0.14 0.00 -0.51 0.00 0.00 60.65 61.72 2kzn s ILE 86 Cb -0.02 -4.17 0.00 0.00 0.15 0.00 0.00 42.46 38.42 2kzn s ILE 86 CO -0.00 -0.23 0.50 -0.13 -2.11 0.00 0.00 174.94 172.97 2kzn s ARG 87 N 3.49 1.53 0.03 3.50 0.52 -0.52 -4.89 118.95 122.60 2kzn s ARG 87 Ca 0.50 -1.18 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 2kzn s ARG 87 Cb -0.18 0.48 -0.02 0.00 0.52 0.00 0.00 34.95 35.76 2kzn s ARG 87 CO 0.13 -0.64 -0.13 0.99 0.02 0.00 0.00 175.30 175.66 2kzn s THR 88 N -3.99 1.03 0.40 0.02 2.01 -1.25 -0.45 115.64 113.41 2kzn s THR 88 Ca 0.19 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.35 2kzn s THR 88 Cb -0.01 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 2kzn s THR 88 CO 0.07 0.02 0.02 -1.83 -0.69 0.00 0.00 174.62 172.21 2kzn s GLU 89 N -1.01 1.92 -0.09 4.92 -1.05 -0.28 -1.19 118.70 121.92 2kzn s GLU 89 Ca 0.01 -2.08 0.04 0.00 -0.15 0.00 0.00 54.97 52.79 2kzn s GLU 89 Cb -0.07 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.09 2kzn s GLU 89 CO 0.01 -0.07 -0.22 0.14 0.95 0.00 0.00 175.26 176.07 2kzn s VAL 90 N -2.80 1.89 -0.13 1.83 -7.23 -0.78 -0.92 120.40 112.26 2kzn s VAL 90 Ca 0.35 -0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 2kzn s VAL 90 Cb 0.10 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.46 2kzn s VAL 90 CO 0.18 0.52 0.22 0.00 -0.31 0.00 0.00 175.10 175.71 2kzn s ARG 91 N 0.38 0.11 0.13 4.82 1.70 -0.70 -3.28 118.95 122.11 2kzn s ARG 91 Ca -0.18 0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 55.65 2kzn s ARG 91 Cb -0.17 -0.34 0.03 0.00 -0.57 0.00 0.00 34.95 33.90 2kzn s ARG 91 CO 0.08 -0.36 0.18 -1.13 -1.08 0.00 0.00 175.30 172.98 2kzn n SER 92 N 5.34 0.06 0.08 -2.89 3.41 -1.13 -3.12 113.62 115.36 2kzn n SER 92 Ca -0.05 -1.09 -0.04 0.00 -0.26 0.00 0.00 58.87 57.42 2kzn n SER 92 Cb 0.50 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2kzn n SER 92 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kzn h ARG 93 N 0.00 -0.28 0.00 4.33 3.08 -1.92 -3.33 114.38 116.26 2kzn h ARG 93 Ca -0.06 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2kzn h ARG 93 Cb 0.17 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2kzn h ARG 93 CO 0.05 -0.19 -0.67 1.15 -1.07 0.00 0.00 179.97 179.24 2kzn h THR 94 N -1.06 1.14 -0.22 2.04 2.02 -1.97 -3.38 112.91 111.49 2kzn h THR 94 Ca -0.03 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.04 2kzn h THR 94 Cb 0.22 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2kzn h THR 94 CO 0.05 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.33 2kzn n ALA 95 N -3.09 2.72 -0.20 6.16 0.00 -1.26 -4.84 120.51 120.00 2kzn n ALA 95 Ca -0.20 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 2kzn n ALA 95 Cb 0.54 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 0.21 -0.49 0.07 0.00 5.75 -1.25 -1.16 116.55 119.67 2kzn n ASP 96 Ca 0.09 1.26 -0.02 0.00 -0.01 0.00 0.00 54.79 56.11 2kzn n ASP 96 Cb 0.39 -0.32 0.23 0.00 -1.03 0.00 0.00 41.12 40.39 2kzn n ASP 96 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2kzn h SER 97 N 0.00 0.33 0.46 -1.12 4.64 -1.88 -2.99 113.55 112.99 2kzn h SER 97 Ca 0.07 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2kzn h SER 97 Cb 0.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2kzn h SER 97 CO -0.44 0.65 0.00 1.41 -0.87 0.00 0.00 176.83 177.59 2kzn n HIS 98 N -4.08 0.00 0.00 4.77 8.25 -0.31 -3.77 115.22 120.08 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 0.44 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.24 0.61 0.00 2.41 4.77 -1.21 -4.77 117.00 117.57 2kzn n LEU 99 Ca 0.15 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2kzn n LEU 99 Cb 0.21 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kzn n LEU 99 CO 0.21 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2kzn n GLY 100 N 0.33 0.54 3.52 -0.72 0.00 -1.21 -3.37 105.19 104.29 2kzn n GLY 100 Ca 0.00 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.16 2.26 0.01 1.61 3.76 -1.23 -1.87 115.29 116.69 2kzn s HIS 101 Ca 0.00 -0.65 0.06 0.00 -0.15 0.00 0.00 55.06 54.32 2kzn s HIS 101 Cb 0.00 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 2kzn s HIS 101 CO 0.00 0.40 -0.18 0.14 -0.85 0.00 0.00 174.74 174.26 2kzn s VAL 102 N -2.82 1.39 -0.18 -0.90 -7.23 -0.33 -1.96 120.40 108.36 2kzn s VAL 102 Ca 0.33 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2kzn s VAL 102 Cb 0.05 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 2kzn s VAL 102 CO 0.16 0.26 0.24 0.12 -0.31 0.00 0.00 175.10 175.57 2kzn s PHE 103 N -0.60 3.42 -1.73 2.82 5.36 -0.48 -3.85 117.98 122.93 2kzn s PHE 103 Ca 0.06 0.48 0.05 0.00 -0.96 0.00 0.00 56.93 56.56 2kzn s PHE 103 Cb -0.07 -2.30 0.17 0.00 -0.34 0.00 0.00 43.02 40.48 2kzn s PHE 103 CO 0.00 0.21 1.06 0.09 -1.46 0.00 0.00 175.22 175.13 2kzn n ASN 104 N 3.72 1.26 -0.51 6.13 4.13 -1.26 -1.73 115.26 126.99 2kzn n ASN 104 Ca -0.13 -2.05 0.06 0.00 1.68 0.00 0.00 54.58 54.13 2kzn n ASN 104 Cb 0.52 -0.22 0.08 0.00 -1.54 0.00 0.00 39.78 38.62 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kzn n ASP 105 N 0.07 2.26 -4.90 6.41 2.03 -1.26 -4.93 116.55 116.21 2kzn n ASP 105 Ca 0.06 -1.64 -0.33 0.00 0.52 0.00 0.00 54.79 53.41 2kzn n ASP 105 Cb 0.23 -0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.96 2.20 0.07 0.27 0.00 -1.06 -5.02 107.32 102.82 2kzn s GLY 106 Ca 0.16 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 2kzn s GLY 106 CO 0.15 -0.64 1.02 2.56 0.00 0.00 0.00 173.10 176.19 2kzn s PRO 107 N -2.17 4.60 0.23 2.90 0.04 -1.26 -3.07 135.00 136.27 2kzn s PRO 107 Ca 0.31 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 2kzn s PRO 107 Cb -0.13 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.09 2kzn s PRO 107 CO 0.22 0.04 0.94 0.20 0.04 0.00 0.00 177.00 178.44 2kzn s GLY 108 N 0.49 0.09 0.58 0.56 0.00 -1.24 -4.62 107.32 103.18 2kzn s GLY 108 Ca 0.51 -0.33 0.32 0.00 0.00 0.00 0.00 44.72 45.21 2kzn s GLY 108 CO 0.30 1.05 2.20 -2.55 0.00 0.00 0.00 173.10 174.10 2kzn h PRO 109 N 2.00 0.00 0.00 2.90 0.11 -1.89 -1.86 132.00 133.26 2kzn h PRO 109 Ca -0.27 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.64 2kzn h PRO 109 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2kzn h PRO 109 CO 0.34 0.04 -2.21 0.27 -0.21 0.00 0.00 178.00 176.23 2kzn n ASN 110 N -3.60 0.00 0.00 -2.05 6.94 -1.26 -5.02 115.26 110.27 2kzn n ASN 110 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2kzn n ASN 110 Cb 0.15 1.46 0.00 0.00 -2.36 0.00 0.00 39.78 39.02 2kzn n ASN 110 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kzn n GLY 111 N 1.53 1.25 3.65 4.83 0.00 -0.70 -5.11 105.19 110.64 2kzn n GLY 111 Ca -0.20 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 3.10 -0.25 0.99 1.43 -1.17 -4.29 118.68 118.48 2kzn s LEU 112 Ca 0.00 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2kzn s LEU 112 Cb 0.00 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.73 2kzn s LEU 112 CO 0.00 -0.14 -0.01 -0.60 0.23 0.00 0.00 176.35 175.83 2kzn s ARG 113 N -3.71 1.28 -0.84 1.70 3.52 -0.71 -3.64 118.95 116.55 2kzn s ARG 113 Ca 0.34 -0.95 -0.25 0.00 -0.13 0.00 0.00 55.73 54.73 2kzn s ARG 113 Cb -0.03 -2.45 0.03 0.00 -1.56 0.00 0.00 34.95 30.93 2kzn s ARG 113 CO 0.20 -0.69 1.45 0.71 -0.81 0.00 0.00 175.30 176.16 2kzn s TYR 114 N 1.48 2.28 -0.70 5.12 1.51 -0.76 -1.38 117.35 124.90 2kzn s TYR 114 Ca -0.01 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 2kzn s TYR 114 Cb -0.18 -4.56 0.16 0.00 -0.11 0.00 0.00 41.96 37.26 2kzn s TYR 114 CO -0.09 -2.03 0.71 0.00 -1.11 0.00 0.00 175.55 173.03 2kzn s ILE 116 N 1.38 4.77 -0.04 0.00 -1.09 -1.09 -3.51 121.20 121.64 2kzn s ILE 116 Ca 0.13 -0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 2kzn s ILE 116 Cb -0.19 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2kzn s ILE 116 CO -0.02 0.55 1.29 0.54 -1.23 0.00 0.00 174.94 176.07 2kzn s ASN 117 N -0.37 6.96 0.51 3.58 6.03 -1.22 -3.41 114.94 127.02 2kzn s ASN 117 Ca 0.09 1.94 0.17 0.00 -1.03 0.00 0.00 52.86 54.03 2kzn s ASN 117 Cb -0.12 -2.56 1.26 0.00 -3.03 0.00 0.00 41.25 36.80 2kzn s ASN 117 CO 0.02 -0.65 2.12 0.28 -2.03 0.00 0.00 177.10 176.83 2kzn h SER 118 N 7.68 0.04 0.15 3.54 0.02 -1.89 -1.70 113.55 121.39 2kzn h SER 118 Ca -0.35 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2kzn h SER 118 Cb 1.17 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2kzn h SER 118 CO 0.90 0.03 -0.07 0.00 -1.14 0.00 0.00 176.83 176.54 2kzn h ALA 119 N 1.94 1.53 0.00 3.77 0.00 -1.88 -2.49 119.26 122.12 2kzn h ALA 119 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kzn h ALA 119 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kzn h ALA 119 CO -0.00 0.09 -0.76 0.00 0.00 0.00 0.00 179.25 178.57 2kzn h ALA 120 N 1.93 0.53 -2.66 0.00 0.00 -1.61 -3.47 119.26 113.98 2kzn h ALA 120 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2kzn h ALA 120 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2kzn h ALA 120 CO 0.01 0.00 -0.56 -0.51 0.00 0.00 0.00 179.25 178.18 2kzn s LEU 121 N -4.46 3.79 -0.11 0.00 1.43 -0.94 -1.66 118.68 116.74 2kzn s LEU 121 Ca 0.04 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 2kzn s LEU 121 Cb 0.13 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 44.00 2kzn s LEU 121 CO 0.75 0.06 0.25 0.00 0.23 0.00 0.00 176.35 177.63 2kzn s ARG 122 N -3.17 0.21 -0.08 1.70 1.70 -0.63 -4.82 118.95 113.85 2kzn s ARG 122 Ca 0.31 0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 55.81 2kzn s ARG 122 Cb -0.10 -0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.14 2kzn s ARG 122 CO 0.23 -0.16 1.12 -0.59 -1.08 0.00 0.00 175.30 174.82 2kzn s PHE 123 N 1.28 3.32 -0.40 5.89 -0.71 -1.26 -1.72 117.98 124.38 2kzn s PHE 123 Ca -0.09 1.37 0.02 0.00 -1.04 0.00 0.00 56.93 57.19 2kzn s PHE 123 Cb -0.10 -3.33 0.12 0.00 -1.21 0.00 0.00 43.02 38.50 2kzn s PHE 123 CO -0.09 -0.87 0.17 0.08 -1.34 0.00 0.00 175.22 173.18 2kzn s VAL 124 N 2.14 1.69 0.92 -2.49 1.01 -0.55 -5.00 120.40 118.12 2kzn s VAL 124 Ca 0.53 -2.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.00 2kzn s VAL 124 Cb -0.22 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 33.98 2kzn s VAL 124 CO 0.20 -0.76 0.49 -2.65 0.00 0.00 0.00 175.10 172.38 2kzn n PRO 125 N 3.93 -0.23 0.17 2.72 -0.02 -1.26 -1.26 135.00 139.06 2kzn n PRO 125 Ca 0.04 -0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.62 2kzn n PRO 125 Cb 0.37 -1.90 0.63 0.00 -0.02 0.00 0.00 33.50 32.58 2kzn n PRO 125 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kzn h LYS 126 N -1.44 0.00 0.02 -0.52 2.10 -1.61 0.60 116.57 115.72 2kzn h LYS 126 Ca -0.44 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 57.96 2kzn h LYS 126 Cb 1.29 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2kzn h LYS 126 CO 0.36 0.00 -1.03 1.25 -2.00 0.00 0.00 179.45 178.03 2kzn h HIS 127 N 0.00 0.80 0.00 0.07 2.76 -1.90 -3.35 115.15 113.53 2kzn h HIS 127 Ca 0.00 -0.45 -0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2kzn h HIS 127 Cb 0.03 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 2kzn h HIS 127 CO 0.00 1.28 -1.17 1.63 -1.30 0.00 0.00 177.93 178.37 2kzn n LYS 128 N -3.78 0.61 0.25 5.26 5.02 0.08 -3.65 118.16 121.96 2kzn n LYS 128 Ca -0.09 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2kzn n LYS 128 Cb 0.88 -1.78 0.61 0.00 -0.02 0.00 0.00 35.03 34.71 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2kzn h LEU 129 N 0.00 0.00 -0.65 -0.35 3.38 -1.35 -1.72 115.31 114.62 2kzn h LEU 129 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kzn h LEU 129 Cb 1.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2kzn h LEU 129 CO 0.00 0.08 0.28 0.50 0.09 0.00 0.00 178.44 179.38 2kzn h LYS 130 N 0.00 0.47 -0.68 1.13 3.64 -1.70 0.35 116.57 119.78 2kzn h LYS 130 Ca -0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2kzn h LYS 130 Cb 0.14 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2kzn h LYS 130 CO 0.01 0.31 0.21 0.93 -2.27 0.00 0.00 179.45 178.64 2kzn h GLU 131 N 0.48 1.04 0.00 1.90 4.39 -1.52 -2.16 114.58 118.71 2kzn h GLU 131 Ca 0.32 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kzn h GLU 131 Cb 0.38 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2kzn h GLU 131 CO -0.29 0.89 0.00 0.39 -1.16 0.00 0.00 179.01 178.83 2kzn n GLU 132 N -4.27 0.04 0.00 2.33 -0.58 -0.78 -4.83 120.64 112.54 2kzn n GLU 132 Ca 0.05 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2kzn n GLU 132 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 -0.31 0.94 4.90 0.62 0.00 -0.81 -4.97 105.19 105.56 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 -0.26 0.00 -0.32 1.61 4.11 0.04 -4.63 117.16 117.71 2kzn n TYR 134 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.85 2kzn n TYR 134 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 2kzn n TYR 134 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2kzn n GLU 135 N 0.00 -0.27 -0.02 -3.48 0.28 -1.26 -1.63 120.64 114.26 2kzn n GLU 135 Ca 0.00 1.23 -0.17 0.00 -0.16 0.00 0.00 57.16 58.06 2kzn n GLU 135 Cb 0.00 -1.82 -0.14 0.00 1.43 0.00 0.00 31.44 30.92 2kzn n GLU 135 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2kzn h SER 136 N 0.00 0.21 -0.07 -1.84 0.02 -1.98 -3.29 113.55 106.60 2kzn h SER 136 Ca 0.21 -0.96 0.03 0.00 -0.84 0.00 0.00 61.79 60.23 2kzn h SER 136 Cb 0.41 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 2kzn h SER 136 CO -0.78 1.20 -0.45 1.88 -1.14 0.00 0.00 176.83 177.54 2kzn h TYR 137 N -0.71 -1.30 0.00 3.45 0.05 -1.75 -1.56 116.97 115.14 2kzn h TYR 137 Ca -0.08 0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2kzn h TYR 137 Cb 1.31 0.58 -0.00 0.00 1.01 0.00 0.00 36.73 39.62 2kzn h TYR 137 CO 0.23 -0.51 -0.14 -0.07 -1.05 0.00 0.00 178.16 176.62 2kzn h LEU 138 N -0.56 0.00 -0.28 3.88 4.07 -1.51 -2.38 115.31 118.53 2kzn h LEU 138 Ca 0.05 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.87 2kzn h LEU 138 Cb 0.66 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 2kzn h LEU 138 CO -0.37 0.14 -0.38 -0.74 -1.08 0.00 0.00 178.44 176.02 2kzn h HIS 139 N 0.00 0.92 -0.14 1.13 2.76 -1.49 -0.69 115.15 117.63 2kzn h HIS 139 Ca -0.00 -0.30 -0.12 0.00 -2.20 0.00 0.00 60.37 57.75 2kzn h HIS 139 Cb 0.96 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2kzn h HIS 139 CO 0.00 1.08 -0.38 -0.07 -1.30 0.00 0.00 177.93 177.26 2kzn h LEU 140 N 0.49 0.58 -0.33 0.26 3.38 -1.26 -3.27 115.31 115.16 2kzn h LEU 140 Ca 0.03 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 2kzn h LEU 140 Cb 0.97 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2kzn h LEU 140 CO 0.09 1.06 -0.31 0.15 0.09 0.00 0.00 178.44 179.52 2kzn h PHE 141 N 0.12 0.94 -2.99 1.13 3.57 -1.48 -3.24 116.94 114.99 2kzn h PHE 141 Ca -0.01 -0.28 -0.81 0.00 3.53 0.00 0.00 57.97 60.41 2kzn h PHE 141 Cb 0.99 -0.20 -0.28 0.00 2.79 0.00 0.00 35.95 39.26 2kzn h PHE 141 CO 0.10 1.05 0.76 -1.71 -2.23 0.00 0.00 178.31 176.28 2kzn n ASN 142 N -4.20 6.26 -4.56 0.41 5.15 -0.27 -4.98 115.26 113.07 2kzn n ASN 142 Ca -0.03 -3.34 -0.31 0.00 -0.60 0.00 0.00 54.58 50.29 2kzn n ASN 142 Cb 0.49 -1.29 -0.04 0.00 -0.53 0.00 0.00 39.78 38.40 2kzn n ASN 142 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2kzn s LYS 143 N -2.47 2.86 0.06 1.20 -2.85 -1.23 -4.69 119.74 112.62 2kzn s LYS 143 Ca 0.31 -0.61 -0.35 0.00 -1.00 0.00 0.00 55.97 54.32 2kzn s LYS 143 Cb 0.02 -5.17 -0.20 0.00 -2.06 0.00 0.00 37.83 30.43 2kzn s LYS 143 CO 0.07 -3.09 1.54 1.25 0.10 0.00 0.00 175.35 175.22 2kzn h LEU 144 N 16.42 -0.99 -9.50 2.77 7.12 -1.93 -3.41 115.31 125.78 2kzn h LEU 144 Ca 0.14 0.03 -0.55 0.00 0.13 0.00 0.00 57.88 57.63 2kzn h LEU 144 Cb 1.00 0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.34 2kzn h LEU 144 CO 1.27 -0.69 0.15 -0.70 -0.13 0.00 0.00 178.44 178.34 2kzn s GLU 145 N -5.86 4.48 0.05 1.25 2.12 -1.26 -5.03 118.70 114.45 2kzn s GLU 145 Ca -0.19 1.03 -0.07 0.00 0.36 0.00 0.00 54.97 56.10 2kzn s GLU 145 Cb 0.02 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 31.06 2kzn s GLU 145 CO 0.59 0.24 0.35 -2.39 -0.54 0.00 0.00 175.26 173.51 2kzn n HIS 146 N 2.99 -0.73 0.60 5.30 1.44 -1.26 -5.20 115.22 118.36 2kzn n HIS 146 Ca -0.02 -0.39 0.05 0.00 -2.01 0.00 0.00 57.72 55.35 2kzn n HIS 146 Cb 0.50 0.19 0.29 0.00 0.12 0.00 0.00 29.99 31.09 2kzn n HIS 146 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11