#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 2.91 -0.22 3.04 0.00 -1.26 -4.95 121.76 121.28 2kzn s ALA 2 Ca 0.00 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 2kzn s ALA 2 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 23.12 19.17 2kzn s ALA 2 CO 0.00 -2.54 0.61 -0.47 0.00 0.00 0.00 175.76 173.36 2kzn s TYR 3 N 7.23 -0.66 0.39 0.00 5.04 -1.26 -5.16 117.35 122.93 2kzn s TYR 3 Ca 0.91 1.61 -0.27 0.00 -2.44 0.00 0.00 57.07 56.88 2kzn s TYR 3 Cb -0.31 0.23 -0.09 0.00 0.35 0.00 0.00 41.96 42.14 2kzn s TYR 3 CO 0.35 -0.33 1.35 -0.80 -1.34 0.00 0.00 175.55 174.78 2kzn s ASN 4 N 0.28 6.39 0.10 4.32 0.01 -1.26 -4.87 114.94 119.91 2kzn s ASN 4 Ca -0.00 2.77 -0.35 0.00 -0.71 0.00 0.00 52.86 54.57 2kzn s ASN 4 Cb -0.04 -2.65 -0.15 0.00 0.41 0.00 0.00 41.25 38.82 2kzn s ASN 4 CO 0.01 -0.81 1.56 0.50 -1.51 0.00 0.00 177.10 176.85 2kzn h LYS 5 N 2.88 -0.75 -0.52 -0.60 1.63 -2.01 -0.27 116.57 116.92 2kzn h LYS 5 Ca -0.50 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 2kzn h LYS 5 Cb 1.24 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.02 2kzn h LYS 5 CO 0.63 -0.50 0.20 0.93 -3.45 0.00 0.00 179.45 177.26 2kzn h GLU 6 N -0.78 0.79 -0.62 1.90 4.39 -1.99 -1.32 114.58 116.95 2kzn h GLU 6 Ca -0.01 -0.15 0.17 0.00 0.34 0.00 0.00 59.36 59.71 2kzn h GLU 6 Cb 0.77 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2kzn h GLU 6 CO -0.26 0.70 0.44 1.49 -1.16 0.00 0.00 179.01 180.22 2kzn h GLU 7 N 0.71 0.07 0.07 2.33 4.81 -1.89 -1.06 114.58 119.62 2kzn h GLU 7 Ca 0.17 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2kzn h GLU 7 Cb 0.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kzn h GLU 7 CO -0.01 0.04 -0.03 0.87 -0.73 0.00 0.00 179.01 179.15 2kzn h LYS 8 N 0.07 -0.09 -0.40 1.92 1.57 -0.52 -3.35 116.57 115.77 2kzn h LYS 8 Ca 0.30 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2kzn h LYS 8 Cb 1.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2kzn h LYS 8 CO -0.02 0.41 0.22 0.82 -0.57 0.00 0.00 179.45 180.31 2kzn h ILE 9 N -0.94 1.13 -0.38 1.86 1.08 -0.32 0.64 117.51 120.58 2kzn h ILE 9 Ca -0.01 -0.33 -0.10 0.00 -0.39 0.00 0.00 64.86 64.04 2kzn h ILE 9 Cb 0.54 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2kzn h ILE 9 CO 0.02 0.14 -0.15 0.11 -0.69 0.00 0.00 178.15 177.57 2kzn h LYS 10 N 0.56 0.77 0.13 2.37 1.57 -1.42 -0.55 116.57 120.00 2kzn h LYS 10 Ca 0.14 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2kzn h LYS 10 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2kzn h LYS 10 CO -0.02 0.94 -0.06 0.77 -0.57 0.00 0.00 179.45 180.50 2kzn h SER 11 N 0.57 -0.15 -0.12 0.86 0.02 -1.55 -3.29 113.55 109.88 2kzn h SER 11 Ca 0.09 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.71 2kzn h SER 11 Cb 0.69 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 2kzn h SER 11 CO 0.05 0.44 -0.52 0.25 -1.14 0.00 0.00 176.83 175.91 2kzn h LEU 12 N -0.92 -1.65 -0.93 5.07 5.85 -0.96 -2.91 115.31 118.87 2kzn h LEU 12 Ca -0.02 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2kzn h LEU 12 Cb 0.50 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kzn h LEU 12 CO 0.03 -0.48 0.00 0.78 -0.34 0.00 0.00 178.44 178.43 2kzn h ASN 13 N -0.58 0.00 -0.26 1.25 -0.26 -1.27 -0.86 115.58 113.60 2kzn h ASN 13 Ca 0.04 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.61 2kzn h ASN 13 Cb 0.68 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 2kzn h ASN 13 CO -0.42 0.00 -0.51 -0.09 -1.06 0.00 0.00 177.43 175.35 2kzn h ARG 14 N 0.00 0.81 0.19 0.81 2.43 -1.59 0.10 114.38 117.13 2kzn h ARG 14 Ca 0.00 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2kzn h ARG 14 Cb 0.41 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2kzn h ARG 14 CO 0.00 1.15 -0.09 0.52 -1.51 0.00 0.00 179.97 180.04 2kzn h MET 15 N 0.57 -0.24 0.00 0.20 2.86 -1.00 -2.25 114.93 115.07 2kzn h MET 15 Ca 0.01 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2kzn h MET 15 Cb 1.12 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 2kzn h MET 15 CO 0.11 -0.10 -0.29 1.96 1.06 0.00 0.00 176.91 179.65 2kzn h GLN 16 N -0.32 0.00 0.45 1.72 4.20 -1.49 -2.56 115.11 117.12 2kzn h GLN 16 Ca -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2kzn h GLN 16 Cb 0.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kzn h GLN 16 CO 0.04 0.29 -0.26 -0.92 -0.67 0.00 0.00 178.83 177.31 2kzn h TYR 17 N 0.00 -0.69 0.00 2.96 3.20 -0.58 -0.70 116.97 121.16 2kzn h TYR 17 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kzn h TYR 17 Cb 0.79 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 2kzn h TYR 17 CO 0.00 -0.41 -0.06 1.49 -1.64 0.00 0.00 178.16 177.54 2kzn h GLU 18 N -0.67 0.00 0.16 1.82 4.81 -1.02 -0.87 114.58 118.81 2kzn h GLU 18 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2kzn h GLU 18 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kzn h GLU 18 CO 0.06 0.06 -0.08 0.28 -0.73 0.00 0.00 179.01 178.61 2kzn h VAL 19 N 0.00 0.00 0.00 0.32 2.07 -1.39 -2.89 116.25 114.36 2kzn h VAL 19 Ca -0.00 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2kzn h VAL 19 Cb 0.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2kzn h VAL 19 CO 0.01 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.34 2kzn h THR 20 N -0.88 0.94 0.08 2.57 1.03 -1.04 0.25 112.91 115.86 2kzn h THR 20 Ca -0.02 -0.97 -0.16 0.00 -0.01 0.00 0.00 66.41 65.24 2kzn h THR 20 Cb 0.17 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2kzn h THR 20 CO 0.04 0.25 -0.78 -0.61 -0.01 0.00 0.00 175.52 174.41 2kzn h GLN 21 N 0.00 0.18 0.00 0.00 5.75 -1.31 -3.37 115.11 116.35 2kzn h GLN 21 Ca -0.00 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 2kzn h GLN 21 Cb 0.54 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2kzn h GLN 21 CO 0.03 1.14 -1.14 -1.71 -2.65 0.00 0.00 178.83 174.51 2kzn n ASN 22 N -4.24 0.72 -1.91 -0.69 5.15 -1.09 -4.96 115.26 108.24 2kzn n ASN 22 Ca -0.17 -0.63 -0.14 0.00 -0.60 0.00 0.00 54.58 53.03 2kzn n ASN 22 Cb 0.74 1.08 0.02 0.00 -0.53 0.00 0.00 39.78 41.08 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 -1.71 -4.45 -4.72 1.20 3.02 0.82 -5.00 115.26 104.41 2kzn n ASN 23 Ca 0.02 -0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 2kzn n ASN 23 Cb 0.39 -3.40 -0.04 0.00 -0.61 0.00 0.00 39.78 36.12 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 -2.70 2.86 -0.18 7.41 0.00 -0.82 -5.02 107.32 108.87 2kzn s GLY 24 Ca 0.14 0.42 -0.14 0.00 0.00 0.00 0.00 44.72 45.15 2kzn s GLY 24 CO 0.18 1.40 0.30 -0.51 0.00 0.00 0.00 173.10 174.46 2kzn s THR 25 N 0.43 5.29 0.46 0.90 -4.23 -1.26 -4.39 115.64 112.84 2kzn s THR 25 Ca 0.45 0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 61.37 2kzn s THR 25 Cb -0.21 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 2kzn s THR 25 CO 0.26 0.35 0.87 -1.61 -0.54 0.00 0.00 174.62 173.95 2kzn s GLU 26 N 0.73 3.81 -0.01 3.99 0.41 -1.26 -5.05 118.70 121.32 2kzn s GLU 26 Ca 0.16 0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 55.07 2kzn s GLU 26 Cb -0.13 -2.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.89 2kzn s GLU 26 CO 0.05 -0.17 1.38 -2.14 -0.49 0.00 0.00 175.26 173.89 2kzn s PRO 27 N -4.07 4.29 -1.03 0.39 0.02 -1.26 -4.95 135.00 128.38 2kzn s PRO 27 Ca 0.54 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.25 2kzn s PRO 27 Cb -0.10 -3.58 -0.07 0.00 0.02 0.00 0.00 34.50 30.76 2kzn s PRO 27 CO 0.34 -0.57 1.96 -2.14 -0.33 0.00 0.00 177.00 176.26 2kzn s PRO 28 N 2.42 2.46 0.06 5.54 0.02 -1.26 -4.70 135.00 139.54 2kzn s PRO 28 Ca 0.63 -0.66 0.12 0.00 0.02 0.00 0.00 61.00 61.11 2kzn s PRO 28 Cb -0.31 -5.13 -0.17 0.00 0.02 0.00 0.00 34.50 28.92 2kzn s PRO 28 CO 0.26 -3.74 0.96 0.74 -0.33 0.00 0.00 177.00 174.89 2kzn h PHE 29 N 10.65 0.00 0.19 6.54 0.04 -1.93 -3.35 116.94 129.09 2kzn h PHE 29 Ca 0.14 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.92 2kzn h PHE 29 Cb 0.98 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.10 2kzn h PHE 29 CO 1.21 0.85 -0.24 1.96 -0.60 0.00 0.00 178.31 181.48 2kzn h GLN 30 N 0.00 -0.47 -2.31 1.51 1.08 -2.03 -3.45 115.11 109.45 2kzn h GLN 30 Ca -0.15 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 2kzn h GLN 30 Cb 1.78 0.11 -0.19 0.00 -0.05 0.00 0.00 27.48 29.12 2kzn h GLN 30 CO 0.08 -0.31 0.06 -0.80 -0.95 0.00 0.00 178.83 176.91 2kzn s ASN 31 N -4.80 -0.52 0.11 1.46 0.02 -1.26 -4.99 114.94 104.96 2kzn s ASN 31 Ca -0.16 0.53 -0.33 0.00 -1.02 0.00 0.00 52.86 51.88 2kzn s ASN 31 Cb 0.07 0.48 -0.13 0.00 0.02 0.00 0.00 41.25 41.69 2kzn s ASN 31 CO 0.65 -0.57 1.57 -0.33 0.02 0.00 0.00 177.10 178.44 2kzn h GLU 32 N 3.23 -0.71 -0.29 -0.60 5.08 -1.88 -2.53 114.58 116.87 2kzn h GLU 32 Ca -0.28 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2kzn h GLU 32 Cb 1.15 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2kzn h GLU 32 CO 0.39 -0.47 0.00 0.66 -1.00 0.00 0.00 179.01 178.59 2kzn n TYR 33 N -5.49 1.03 -3.41 4.33 4.01 -1.26 -4.75 117.16 111.61 2kzn n TYR 33 Ca -0.08 -1.02 -0.17 0.00 -0.16 0.00 0.00 57.90 56.46 2kzn n TYR 33 Cb 0.40 -0.36 0.08 0.00 -0.31 0.00 0.00 39.34 39.15 2kzn n TYR 33 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2kzn n TRP 34 N -0.63 -2.23 0.22 -0.72 8.01 -0.95 -4.90 117.44 116.24 2kzn n TRP 34 Ca 0.24 0.90 0.14 0.00 -1.31 0.00 0.00 57.50 57.47 2kzn n TRP 34 Cb 0.94 -4.76 0.72 0.00 -2.01 0.00 0.00 31.31 26.21 2kzn n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 2kzn h ASP 35 N -1.69 0.00 -0.24 -0.99 5.19 -1.91 -3.38 116.42 113.40 2kzn h ASP 35 Ca -0.60 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.77 2kzn h ASP 35 Cb 1.33 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 2kzn h ASP 35 CO 0.49 0.00 0.13 -1.38 -3.12 0.00 0.00 179.24 175.36 2kzn s HIS 36 N -3.67 1.26 -0.72 4.55 -3.43 -1.26 -4.78 115.29 107.25 2kzn s HIS 36 Ca -0.02 2.04 -0.02 0.00 -0.80 0.00 0.00 55.06 56.26 2kzn s HIS 36 Cb 0.08 -3.43 0.42 0.00 -1.43 0.00 0.00 32.58 28.22 2kzn s HIS 36 CO 0.27 -1.04 2.04 1.17 -2.00 0.00 0.00 174.74 175.18 2kzn n LYS 37 N 8.43 2.70 -2.88 -0.38 4.81 -1.26 -4.84 118.16 124.73 2kzn n LYS 37 Ca 0.43 -3.33 -0.41 0.00 -0.87 0.00 0.00 58.31 54.13 2kzn n LYS 37 Cb 0.46 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.19 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2kzn s GLU 38 N -3.87 4.51 0.15 1.64 2.02 -1.26 -5.03 118.70 116.85 2kzn s GLU 38 Ca 0.61 1.15 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 2kzn s GLU 38 Cb 0.49 -3.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.21 2kzn s GLU 38 CO -0.13 0.06 0.94 -1.83 0.02 0.00 0.00 175.26 174.32 2kzn s GLU 39 N 0.72 4.73 0.00 1.61 -1.05 -1.26 -4.60 118.70 118.85 2kzn s GLU 39 Ca 0.44 1.43 0.00 0.00 -0.15 0.00 0.00 54.97 56.69 2kzn s GLU 39 Cb -0.20 -3.34 0.00 0.00 -0.44 0.00 0.00 34.13 30.15 2kzn s GLU 39 CO 0.23 0.32 0.00 0.41 0.95 0.00 0.00 175.26 177.17 2kzn n GLY 40 N 2.02 -0.30 3.58 -3.83 0.00 -1.25 -1.27 105.19 104.13 2kzn n GLY 40 Ca 0.01 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 2.52 -0.23 0.99 1.43 -0.41 -0.89 118.68 122.09 2kzn s LEU 41 Ca 0.00 -1.43 0.02 0.00 -1.03 0.00 0.00 54.13 51.69 2kzn s LEU 41 Cb 0.00 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.60 2kzn s LEU 41 CO 0.00 -0.59 -0.14 -0.47 0.23 0.00 0.00 176.35 175.39 2kzn s TYR 42 N -2.95 3.09 0.12 0.29 6.14 -0.33 -1.59 117.35 122.12 2kzn s TYR 42 Ca 0.31 -2.09 0.03 0.00 0.64 0.00 0.00 57.07 55.95 2kzn s TYR 42 Cb 0.08 -1.91 -0.04 0.00 0.42 0.00 0.00 41.96 40.50 2kzn s TYR 42 CO 0.15 -0.85 -0.08 0.14 0.64 0.00 0.00 175.55 175.54 2kzn s VAL 43 N 1.17 0.90 0.09 3.14 -7.23 -1.00 -1.43 120.40 116.04 2kzn s VAL 43 Ca -0.04 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 2kzn s VAL 43 Cb -0.18 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.96 2kzn s VAL 43 CO -0.08 -0.81 0.81 1.51 -0.31 0.00 0.00 175.10 176.22 2kzn s ASP 44 N -3.07 7.31 0.41 4.85 -4.77 -1.22 -1.74 116.67 118.43 2kzn s ASP 44 Ca 0.14 1.56 0.22 0.00 -3.30 0.00 0.00 52.55 51.17 2kzn s ASP 44 Cb 0.04 -2.50 0.75 0.00 -1.09 0.00 0.00 42.92 40.12 2kzn s ASP 44 CO -0.02 0.05 1.75 0.40 0.70 0.00 0.00 175.17 178.05 2kzn h ILE 45 N 3.90 0.61 0.00 2.11 2.04 -1.70 -0.34 117.51 124.14 2kzn h ILE 45 Ca -0.44 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 2kzn h ILE 45 Cb 1.21 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2kzn h ILE 45 CO 0.70 0.27 -0.04 -0.37 0.00 0.00 0.00 178.15 178.70 2kzn h VAL 46 N 0.00 1.01 0.00 1.67 -1.51 -1.94 -3.36 116.25 112.12 2kzn h VAL 46 Ca -0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2kzn h VAL 46 Cb 0.86 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 2kzn h VAL 46 CO 0.04 0.04 -0.19 -0.24 -1.23 0.00 0.00 177.57 175.98 2kzn n SER 47 N -4.46 0.82 -0.26 4.19 2.88 -1.25 -4.98 113.62 110.56 2kzn n SER 47 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2kzn n SER 47 Cb 0.13 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kzn n GLY 48 N 1.69 0.94 3.73 0.46 0.00 -0.14 -5.07 105.19 106.79 2kzn n GLY 48 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2kzn n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kzn s LYS 49 N -2.27 3.45 0.03 1.61 2.47 -1.25 -4.90 119.74 118.88 2kzn s LYS 49 Ca 0.00 -0.30 -0.33 0.00 -1.56 0.00 0.00 55.97 53.78 2kzn s LYS 49 Cb 0.00 -3.06 -0.11 0.00 -1.46 0.00 0.00 37.83 33.20 2kzn s LYS 49 CO 0.00 0.59 1.84 -2.30 0.16 0.00 0.00 175.35 175.63 2kzn n PRO 50 N 2.55 2.46 -0.04 4.03 -0.02 -1.26 -3.43 135.00 139.28 2kzn n PRO 50 Ca -0.18 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 2kzn n PRO 50 Cb 0.54 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 2kzn n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kzn n LEU 51 N 6.02 0.00 -3.81 2.45 4.77 -0.51 -4.68 117.00 121.23 2kzn n LEU 51 Ca 0.20 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2kzn n LEU 51 Cb 0.33 0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2kzn n LEU 51 CO 0.69 0.18 0.68 0.12 -1.33 0.00 0.00 177.39 177.72 2kzn s PHE 52 N -2.20 -0.05 -0.06 -1.77 5.36 -0.99 -1.09 117.98 117.18 2kzn s PHE 52 Ca -0.04 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.60 2kzn s PHE 52 Cb 0.02 0.69 -0.03 0.00 -0.34 0.00 0.00 43.02 43.37 2kzn s PHE 52 CO 0.31 -1.02 -0.11 0.99 -1.46 0.00 0.00 175.22 173.92 2kzn s THR 53 N -2.95 3.30 -0.78 0.12 2.01 -1.26 -1.19 115.64 114.89 2kzn s THR 53 Ca 0.15 -0.63 0.26 0.00 0.31 0.00 0.00 61.69 61.78 2kzn s THR 53 Cb -0.03 -2.32 0.24 0.00 0.01 0.00 0.00 72.50 70.40 2kzn s THR 53 CO 0.05 0.59 1.73 -0.24 -0.69 0.00 0.00 174.62 176.07 2kzn n SER 54 N 2.28 0.63 0.19 3.53 2.88 -0.07 -2.31 113.62 120.75 2kzn n SER 54 Ca -0.17 0.47 0.14 0.00 -1.33 0.00 0.00 58.87 57.97 2kzn n SER 54 Cb 0.52 -0.57 0.63 0.00 -0.75 0.00 0.00 64.21 64.04 2kzn n SER 54 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kzn h LYS 55 N 0.00 0.00 -0.24 -1.46 2.10 -1.92 -2.33 116.57 112.73 2kzn h LYS 55 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2kzn h LYS 55 Cb 0.68 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.98 2kzn h LYS 55 CO 0.00 0.00 -0.05 -0.25 -2.00 0.00 0.00 179.45 177.15 2kzn n ASP 56 N -2.49 3.06 -4.67 7.07 8.00 -0.98 -5.05 116.55 121.49 2kzn n ASP 56 Ca 0.00 -3.33 -0.43 0.00 0.71 0.00 0.00 54.79 51.75 2kzn n ASP 56 Cb 0.18 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kzn s LYS 57 N -3.00 4.27 -0.05 -1.24 2.47 -0.88 -4.98 119.74 116.34 2kzn s LYS 57 Ca 0.41 1.75 0.03 0.00 -1.56 0.00 0.00 55.97 56.60 2kzn s LYS 57 Cb 0.36 -3.69 0.01 0.00 -1.46 0.00 0.00 37.83 33.05 2kzn s LYS 57 CO 0.04 -0.61 -0.14 -0.06 0.16 0.00 0.00 175.35 174.74 2kzn s PHE 58 N 2.96 1.52 -0.29 4.03 0.40 -1.26 -5.08 117.98 120.25 2kzn s PHE 58 Ca 0.58 -0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 56.12 2kzn s PHE 58 Cb -0.25 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.22 2kzn s PHE 58 CO 0.20 -0.22 1.05 -0.51 0.70 0.00 0.00 175.22 176.43 2kzn s ASP 59 N 0.39 6.98 0.06 1.36 1.01 -1.26 -4.86 116.67 120.35 2kzn s ASP 59 Ca -0.10 1.15 -0.20 0.00 0.71 0.00 0.00 52.55 54.11 2kzn s ASP 59 Cb -0.14 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 2kzn s ASP 59 CO 0.03 -0.79 0.59 -0.55 0.21 0.00 0.00 175.17 174.66 2kzn s SER 60 N 1.49 7.07 0.00 0.27 0.15 -1.26 -4.98 113.70 116.44 2kzn s SER 60 Ca 0.44 1.27 0.07 0.00 0.70 0.00 0.00 55.95 58.43 2kzn s SER 60 Cb -0.13 -2.37 0.22 0.00 -1.71 0.00 0.00 66.02 62.03 2kzn s SER 60 CO 0.12 0.23 1.18 0.00 1.20 0.00 0.00 173.24 175.97 2kzn n GLN 61 N 1.93 1.49 0.00 5.44 6.02 -1.26 -4.27 117.38 126.73 2kzn n GLN 61 Ca -0.09 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2kzn n GLN 61 Cb 0.51 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.59 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kzn n GLY 63 N 0.18 2.01 3.69 0.00 0.00 -1.26 -4.90 105.19 104.90 2kzn n GLY 63 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 3.01 -0.12 1.61 0.51 -1.26 -4.97 118.94 117.72 2kzn s TRP 64 Ca 0.00 0.00 -0.34 0.00 -2.12 0.00 0.00 56.10 53.64 2kzn s TRP 64 Cb 0.00 -1.57 -0.12 0.00 -0.81 0.00 0.00 33.47 30.97 2kzn s TRP 64 CO 0.00 0.47 1.90 -2.30 -0.51 0.00 0.00 176.95 176.51 2kzn n PRO 65 N 0.80 2.07 -4.38 4.98 -0.02 -1.26 -4.83 135.00 132.36 2kzn n PRO 65 Ca -0.12 0.75 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2kzn n PRO 65 Cb 0.52 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kzn s SER 66 N 4.35 1.27 0.35 2.55 1.04 -1.26 -3.19 113.70 118.81 2kzn s SER 66 Ca 0.94 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 57.20 2kzn s SER 66 Cb -0.71 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 2kzn s SER 66 CO 0.52 0.03 0.08 0.49 0.98 0.00 0.00 173.24 175.33 2kzn n PHE 67 N 3.62 0.38 0.66 5.02 3.72 -0.17 -4.69 117.46 126.00 2kzn n PHE 67 Ca -0.21 -2.04 0.07 0.00 -0.05 0.00 0.00 57.45 55.21 2kzn n PHE 67 Cb 0.53 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 2kzn n PHE 67 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2kzn n THR 68 N -0.82 0.00 -3.75 4.37 5.66 -1.26 0.53 114.28 119.01 2kzn n THR 68 Ca -0.09 -0.18 -0.37 0.00 -3.05 0.00 0.00 64.05 60.36 2kzn n THR 68 Cb 0.49 1.01 -0.11 0.00 -1.55 0.00 0.00 70.33 70.17 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 -2.28 2.22 -0.11 1.09 2.47 -1.26 -4.61 119.74 117.26 2kzn s LYS 69 Ca 0.06 -1.65 -0.16 0.00 -1.56 0.00 0.00 55.97 52.66 2kzn s LYS 69 Cb 0.11 -3.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.86 2kzn s LYS 69 CO 0.56 -0.97 0.40 -1.25 0.16 0.00 0.00 175.35 174.24 2kzn s PRO 70 N 1.23 4.22 -0.23 4.03 0.04 -1.26 -4.61 135.00 138.42 2kzn s PRO 70 Ca 0.05 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 2kzn s PRO 70 Cb -0.22 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2kzn s PRO 70 CO -0.02 0.30 1.90 0.42 0.04 0.00 0.00 177.00 179.64 2kzn s ILE 71 N 0.22 3.33 -0.34 0.56 1.01 -0.25 -4.87 121.20 120.85 2kzn s ILE 71 Ca 0.22 0.36 0.27 0.00 0.00 0.00 0.00 60.65 61.50 2kzn s ILE 71 Cb -0.15 -3.39 0.32 0.00 0.01 0.00 0.00 42.46 39.25 2kzn s ILE 71 CO 0.09 -0.21 1.79 1.05 0.00 0.00 0.00 174.94 177.66 2kzn h GLU 72 N 12.77 0.00 -0.33 2.79 9.09 -1.91 -3.10 114.58 133.89 2kzn h GLU 72 Ca -0.38 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.08 2kzn h GLU 72 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.25 2kzn h GLU 72 CO 0.99 0.00 0.06 1.49 0.05 0.00 0.00 179.01 181.60 2kzn h GLU 73 N 0.00 0.17 0.01 1.06 4.81 -1.94 -3.26 114.58 115.42 2kzn h GLU 73 Ca 0.00 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.85 2kzn h GLU 73 Cb 0.60 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 2kzn h GLU 73 CO 0.00 0.11 -2.33 -1.91 -0.73 0.00 0.00 179.01 174.16 2kzn n GLU 74 N -5.10 0.68 -2.84 1.92 4.07 -1.22 -4.95 120.64 113.20 2kzn n GLU 74 Ca 0.01 0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 2kzn n GLU 74 Cb 0.15 -1.56 -0.04 0.00 -0.06 0.00 0.00 31.44 29.93 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 -2.51 4.80 -0.20 6.31 1.01 -1.17 -4.66 120.40 123.98 2kzn s VAL 75 Ca -0.16 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 2kzn s VAL 75 Cb 0.07 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2kzn s VAL 75 CO 0.77 -0.09 -0.09 -0.70 0.00 0.00 0.00 175.10 174.99 2kzn s GLU 76 N 2.90 3.30 -0.05 2.72 2.56 -1.26 -4.73 118.70 124.13 2kzn s GLU 76 Ca 0.37 -0.68 -0.30 0.00 0.00 0.00 0.00 54.97 54.36 2kzn s GLU 76 Cb -0.15 -2.86 -0.03 0.00 2.00 0.00 0.00 34.13 33.09 2kzn s GLU 76 CO 0.07 -0.14 1.09 -1.83 -0.56 0.00 0.00 175.26 173.89 2kzn s GLU 77 N 1.27 4.42 -0.32 4.30 -1.05 -1.26 -1.25 118.70 124.81 2kzn s GLU 77 Ca 0.03 1.53 0.01 0.00 -0.15 0.00 0.00 54.97 56.40 2kzn s GLU 77 Cb -0.14 -3.51 0.10 0.00 -0.44 0.00 0.00 34.13 30.13 2kzn s GLU 77 CO -0.04 -0.31 0.07 0.21 0.95 0.00 0.00 175.26 176.13 2kzn s LYS 78 N 1.83 1.10 0.10 -4.83 2.20 0.17 -4.98 119.74 115.33 2kzn s LYS 78 Ca 0.53 -1.41 -0.31 0.00 -0.36 0.00 0.00 55.97 54.41 2kzn s LYS 78 Cb -0.22 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 2kzn s LYS 78 CO 0.22 -0.94 1.69 -1.17 -0.36 0.00 0.00 175.35 174.78 2kzn s LEU 79 N 1.30 4.37 -0.11 5.43 2.96 -1.26 -1.09 118.68 130.28 2kzn s LEU 79 Ca 0.09 2.58 -0.01 0.00 -0.22 0.00 0.00 54.13 56.58 2kzn s LEU 79 Cb -0.18 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.97 2kzn s LEU 79 CO -0.17 -0.91 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.29 2kzn s ASP 80 N 2.26 2.09 -0.53 3.68 2.15 0.05 -4.93 116.67 121.44 2kzn s ASP 80 Ca 0.75 -0.30 -0.20 0.00 0.43 0.00 0.00 52.55 53.24 2kzn s ASP 80 Cb -0.42 -0.70 0.06 0.00 -0.30 0.00 0.00 42.92 41.56 2kzn s ASP 80 CO 0.33 -0.16 0.69 -0.89 -0.17 0.00 0.00 175.17 174.97 2kzn s THR 81 N 1.80 4.78 0.03 1.71 2.01 -1.26 -2.14 115.64 122.57 2kzn s THR 81 Ca 0.04 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 2kzn s THR 81 Cb -0.13 -4.37 -0.17 0.00 0.01 0.00 0.00 72.50 67.83 2kzn s THR 81 CO -0.07 -0.92 1.32 -1.28 -0.69 0.00 0.00 174.62 172.97 2kzn h SER 82 N 9.09 -0.92 0.00 3.53 0.87 -1.78 -3.47 113.55 120.87 2kzn h SER 82 Ca -0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kzn h SER 82 Cb 1.09 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2kzn h SER 82 CO 1.01 -0.57 0.00 1.57 -0.53 0.00 0.00 176.83 178.31 2kzn n HIS 83 N -5.51 0.00 0.00 2.24 -0.00 -1.26 -4.95 115.22 105.75 2kzn n HIS 83 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2kzn n HIS 83 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kzn n GLY 84 N 0.00 2.71 3.80 1.57 0.00 -1.26 -4.98 105.19 107.03 2kzn n GLY 84 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.04 4.01 -0.11 1.61 -2.45 -1.26 -5.10 119.30 115.96 2kzn s MET 85 Ca 0.00 0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.72 2kzn s MET 85 Cb 0.00 -3.29 -0.03 0.00 1.25 0.00 0.00 34.83 32.75 2kzn s MET 85 CO 0.00 0.53 0.02 -1.50 1.05 0.00 0.00 175.02 175.12 2kzn s ILE 86 N -0.51 4.47 0.19 10.11 1.10 -1.26 -2.06 121.20 133.23 2kzn s ILE 86 Ca 0.22 -0.18 -0.23 0.00 -0.51 0.00 0.00 60.65 59.95 2kzn s ILE 86 Cb -0.15 -2.91 0.07 0.00 0.15 0.00 0.00 42.46 39.61 2kzn s ILE 86 CO 0.10 0.58 0.97 0.00 -2.11 0.00 0.00 174.94 174.48 2kzn s ARG 87 N -0.61 1.35 0.01 3.50 1.70 -0.91 -4.89 118.95 119.10 2kzn s ARG 87 Ca 0.10 -0.81 0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2kzn s ARG 87 Cb -0.12 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2kzn s ARG 87 CO 0.02 -0.63 -0.05 -0.08 -1.08 0.00 0.00 175.30 173.49 2kzn s THR 88 N -2.79 0.38 0.03 4.99 -1.32 -1.25 -0.77 115.64 114.91 2kzn s THR 88 Ca 0.16 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.33 2kzn s THR 88 Cb -0.02 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.58 2kzn s THR 88 CO 0.04 -0.01 -0.20 -1.83 -2.21 0.00 0.00 174.62 170.41 2kzn s GLU 89 N -0.43 2.04 -0.34 7.08 -1.05 -0.25 -1.31 118.70 124.44 2kzn s GLU 89 Ca -0.01 -0.99 -0.08 0.00 -0.15 0.00 0.00 54.97 53.74 2kzn s GLU 89 Cb -0.04 -2.15 0.03 0.00 -0.44 0.00 0.00 34.13 31.54 2kzn s GLU 89 CO -0.00 0.54 0.13 0.14 0.95 0.00 0.00 175.26 177.02 2kzn s VAL 90 N -0.87 4.04 -0.18 1.83 -7.23 -0.75 -0.65 120.40 116.59 2kzn s VAL 90 Ca 0.14 -0.96 -0.28 0.00 -1.81 0.00 0.00 61.98 59.06 2kzn s VAL 90 Cb -0.10 -3.23 0.11 0.00 0.56 0.00 0.00 36.38 33.71 2kzn s VAL 90 CO 0.04 -0.13 0.91 0.00 -0.31 0.00 0.00 175.10 175.61 2kzn s ARG 91 N 1.46 0.69 1.21 4.82 1.70 -0.38 -2.61 118.95 125.84 2kzn s ARG 91 Ca 0.00 0.37 -0.20 0.00 -0.47 0.00 0.00 55.73 55.43 2kzn s ARG 91 Cb -0.19 0.33 0.29 0.00 -0.57 0.00 0.00 34.95 34.81 2kzn s ARG 91 CO 0.04 -0.17 1.14 0.45 -1.08 0.00 0.00 175.30 175.67 2kzn s SER 92 N -0.64 0.87 0.02 -2.89 0.15 -1.16 -4.36 113.70 105.68 2kzn s SER 92 Ca -0.02 0.50 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 2kzn s SER 92 Cb -0.02 -0.65 -0.15 0.00 -1.71 0.00 0.00 66.02 63.49 2kzn s SER 92 CO 0.01 -4.14 1.16 0.03 1.20 0.00 0.00 173.24 171.50 2kzn h ARG 93 N -2.60 -0.92 0.00 5.44 3.08 -1.98 -3.43 114.38 113.97 2kzn h ARG 93 Ca -0.43 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2kzn h ARG 93 Cb 1.28 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2kzn h ARG 93 CO 0.30 -0.61 0.00 2.41 -1.07 0.00 0.00 179.97 181.00 2kzn n THR 94 N -5.18 0.00 0.00 2.04 -1.04 -1.26 -5.00 114.28 103.84 2kzn n THR 94 Ca -0.12 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2kzn n THR 94 Cb 0.38 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 2kzn n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kzn n ALA 95 N -1.21 0.70 0.30 2.41 0.00 -1.26 -4.86 120.51 116.59 2kzn n ALA 95 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2kzn n ALA 95 Cb 0.00 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.33 2kzn n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kzn h ASP 96 N 0.00 0.00 -0.56 0.00 5.19 -1.94 -1.19 116.42 117.92 2kzn h ASP 96 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 2kzn h ASP 96 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 2kzn h ASP 96 CO 0.00 0.02 -1.11 -0.24 -3.12 0.00 0.00 179.24 174.79 2kzn n SER 97 N -3.16 1.80 0.00 6.45 2.88 -1.26 -4.71 113.62 115.62 2kzn n SER 97 Ca -0.01 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 2kzn n SER 97 Cb 0.21 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.20 2kzn n SER 97 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kzn n HIS 98 N -0.52 0.00 0.00 0.66 -0.00 -0.45 -2.99 115.22 111.92 2kzn n HIS 98 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2kzn n HIS 98 Cb 0.81 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.68 2kzn n HIS 98 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 2kzn n LEU 99 N -0.92 0.00 0.00 0.27 -0.00 -1.26 -4.98 117.00 110.11 2kzn n LEU 99 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 56.01 56.87 2kzn n LEU 99 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 2kzn n LEU 99 CO 0.00 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 177.65 2kzn n GLY 100 N -0.95 3.15 3.21 1.47 0.00 -1.07 -4.15 105.19 106.85 2kzn n GLY 100 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2kzn n GLY 100 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kzn s HIS 101 N -2.32 0.69 0.15 1.61 -3.43 -0.92 -1.80 115.29 109.27 2kzn s HIS 101 Ca 0.00 -1.06 0.02 0.00 -0.80 0.00 0.00 55.06 53.22 2kzn s HIS 101 Cb 0.00 -0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 2kzn s HIS 101 CO 0.00 -0.59 -0.03 0.14 -2.00 0.00 0.00 174.74 172.26 2kzn s VAL 102 N -4.02 0.75 0.02 -5.38 -7.23 -0.43 -2.02 120.40 102.09 2kzn s VAL 102 Ca 0.21 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2kzn s VAL 102 Cb 0.06 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 2kzn s VAL 102 CO 0.01 -0.63 -0.03 0.72 -0.31 0.00 0.00 175.10 174.86 2kzn s PHE 103 N -3.60 0.25 -2.16 2.82 -0.71 -1.18 -3.80 117.98 109.60 2kzn s PHE 103 Ca 0.19 -0.48 0.21 0.00 -1.04 0.00 0.00 56.93 55.81 2kzn s PHE 103 Cb 0.05 -0.18 0.97 0.00 -1.21 0.00 0.00 43.02 42.66 2kzn s PHE 103 CO 0.01 -0.17 1.66 0.09 -1.34 0.00 0.00 175.22 175.47 2kzn n ASN 104 N 1.72 0.89 -1.02 1.98 3.02 -1.26 -0.93 115.26 119.66 2kzn n ASN 104 Ca -0.23 -1.54 0.12 0.00 -0.03 0.00 0.00 54.58 52.90 2kzn n ASN 104 Cb 0.55 -0.05 0.23 0.00 -0.61 0.00 0.00 39.78 39.91 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kzn n ASP 105 N -0.21 3.07 -4.34 6.41 9.92 -1.26 -4.87 116.55 125.26 2kzn n ASP 105 Ca 0.16 -1.94 -0.32 0.00 -0.53 0.00 0.00 54.79 52.16 2kzn n ASP 105 Cb 0.21 -0.19 -0.15 0.00 -0.64 0.00 0.00 41.12 40.35 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 -1.57 1.41 0.18 0.44 0.00 -1.24 -5.07 107.32 101.47 2kzn s GLY 106 Ca 0.36 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 2kzn s GLY 106 CO 0.31 -0.59 1.18 2.56 0.00 0.00 0.00 173.10 176.55 2kzn s PRO 107 N -0.22 4.51 -0.28 2.90 0.04 -1.26 -4.05 135.00 136.63 2kzn s PRO 107 Ca -0.01 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.56 2kzn s PRO 107 Cb -0.13 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.34 2kzn s PRO 107 CO 0.03 -0.07 1.35 0.20 0.04 0.00 0.00 177.00 178.56 2kzn s GLY 108 N 0.14 0.03 0.60 0.56 0.00 -1.26 -4.75 107.32 102.63 2kzn s GLY 108 Ca 0.52 2.64 0.28 0.00 0.00 0.00 0.00 44.72 48.17 2kzn s GLY 108 CO 0.36 1.02 1.79 -2.55 0.00 0.00 0.00 173.10 173.72 2kzn h PRO 109 N 2.05 0.00 0.00 2.90 0.11 -1.90 -1.12 132.00 134.04 2kzn h PRO 109 Ca -0.07 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.86 2kzn h PRO 109 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2kzn h PRO 109 CO 0.22 0.00 -0.89 -0.97 -0.21 0.00 0.00 178.00 176.15 2kzn h ASN 110 N 0.00 0.00 0.00 -2.05 -1.24 -1.95 -3.47 115.58 106.87 2kzn h ASN 110 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2kzn h ASN 110 Cb 1.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.44 2kzn h ASN 110 CO -0.00 0.81 0.00 0.61 -1.29 0.00 0.00 177.43 177.56 2kzn n GLY 111 N 1.32 1.07 3.79 1.57 0.00 -0.43 -5.05 105.19 107.47 2kzn n GLY 111 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.07 -0.27 0.99 1.43 -1.26 -4.47 118.68 118.17 2kzn s LEU 112 Ca 0.00 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 2kzn s LEU 112 Cb 0.00 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.82 2kzn s LEU 112 CO 0.00 -0.66 0.03 -0.60 0.23 0.00 0.00 176.35 175.35 2kzn s ARG 113 N -4.00 1.08 -0.64 1.70 6.06 -0.11 -4.27 118.95 118.77 2kzn s ARG 113 Ca 0.40 -1.00 -0.26 0.00 -2.50 0.00 0.00 55.73 52.36 2kzn s ARG 113 Cb 0.02 -2.34 -0.05 0.00 0.06 0.00 0.00 34.95 32.64 2kzn s ARG 113 CO 0.22 -0.79 2.06 -0.47 -2.50 0.00 0.00 175.30 173.83 2kzn s TYR 114 N 1.52 1.48 -0.36 5.12 5.04 0.19 -3.07 117.35 127.27 2kzn s TYR 114 Ca 0.03 1.07 0.02 0.00 -2.44 0.00 0.00 57.07 55.75 2kzn s TYR 114 Cb -0.18 -3.89 0.10 0.00 0.35 0.00 0.00 41.96 38.34 2kzn s TYR 114 CO -0.14 -2.22 0.09 0.00 -1.34 0.00 0.00 175.55 171.94 2kzn s ILE 116 N 0.97 5.27 0.27 0.00 -1.09 -1.19 -2.16 121.20 123.27 2kzn s ILE 116 Ca 0.09 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 2kzn s ILE 116 Cb -0.20 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 36.99 2kzn s ILE 116 CO -0.07 0.39 1.60 0.20 -1.23 0.00 0.00 174.94 175.83 2kzn s ASN 117 N -1.62 6.41 0.39 3.58 0.01 -1.26 -4.16 114.94 118.29 2kzn s ASN 117 Ca 0.27 2.89 0.07 0.00 -0.71 0.00 0.00 52.86 55.38 2kzn s ASN 117 Cb -0.13 -2.63 0.83 0.00 0.41 0.00 0.00 41.25 39.73 2kzn s ASN 117 CO 0.15 -0.90 2.02 0.77 -1.51 0.00 0.00 177.10 177.63 2kzn h SER 118 N 5.29 0.54 0.73 -1.22 4.64 -1.93 0.60 113.55 122.20 2kzn h SER 118 Ca -0.46 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2kzn h SER 118 Cb 1.22 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2kzn h SER 118 CO 0.83 0.37 -0.07 0.00 -0.87 0.00 0.00 176.83 177.09 2kzn h ALA 119 N 1.69 1.06 -0.55 5.18 0.00 -1.97 -2.67 119.26 121.99 2kzn h ALA 119 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kzn h ALA 119 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kzn h ALA 119 CO -0.06 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2kzn n ALA 120 N -2.15 3.46 -2.45 0.00 0.00 0.19 -4.84 120.51 114.71 2kzn n ALA 120 Ca -0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 53.44 51.31 2kzn n ALA 120 Cb 0.28 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.43 2.20 -0.18 0.00 1.43 -1.01 -1.94 118.68 116.75 2kzn s LEU 121 Ca 0.51 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2kzn s LEU 121 Cb 0.37 -1.05 0.09 0.00 0.03 0.00 0.00 46.19 45.63 2kzn s LEU 121 CO 0.18 0.17 0.30 -0.60 0.23 0.00 0.00 176.35 176.63 2kzn s ARG 122 N -1.39 0.23 -0.45 1.70 3.52 -0.71 -4.80 118.95 117.05 2kzn s ARG 122 Ca 0.09 0.62 -0.25 0.00 -0.13 0.00 0.00 55.73 56.06 2kzn s ARG 122 Cb -0.09 -0.34 0.02 0.00 -1.56 0.00 0.00 34.95 32.98 2kzn s ARG 122 CO 0.03 -0.44 0.88 -0.06 -0.81 0.00 0.00 175.30 174.89 2kzn s PHE 123 N 2.46 2.96 -0.28 5.12 0.08 -1.26 -2.39 117.98 124.67 2kzn s PHE 123 Ca 0.05 0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.35 2kzn s PHE 123 Cb -0.14 -3.83 -0.03 0.00 -0.57 0.00 0.00 43.02 38.46 2kzn s PHE 123 CO -0.12 -1.03 0.15 0.08 -0.10 0.00 0.00 175.22 174.21 2kzn s VAL 124 N 3.56 4.87 0.39 -0.44 1.01 -0.62 -4.70 120.40 124.47 2kzn s VAL 124 Ca 0.35 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2kzn s VAL 124 Cb -0.11 -3.36 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 2kzn s VAL 124 CO 0.24 0.22 0.87 -2.65 0.00 0.00 0.00 175.10 173.78 2kzn n PRO 125 N 5.01 1.10 0.30 2.72 -0.02 -1.26 -1.29 135.00 141.56 2kzn n PRO 125 Ca -0.14 0.39 0.17 0.00 -2.02 0.00 0.00 63.50 61.89 2kzn n PRO 125 Cb 0.51 -1.84 0.96 0.00 -0.02 0.00 0.00 33.50 33.11 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 1.39 0.00 0.00 -0.52 2.10 -1.52 0.85 116.57 118.87 2kzn h LYS 126 Ca -0.42 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.09 2kzn h LYS 126 Cb 1.36 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.67 2kzn h LYS 126 CO 0.56 0.02 -0.66 0.45 -2.00 0.00 0.00 179.45 177.82 2kzn h HIS 127 N 0.00 0.00 0.00 0.07 3.86 -1.90 -3.27 115.15 113.91 2kzn h HIS 127 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2kzn h HIS 127 Cb 0.06 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2kzn h HIS 127 CO 0.00 0.66 -1.15 1.17 0.86 0.00 0.00 177.93 179.47 2kzn n LYS 128 N -3.52 0.61 0.02 2.45 3.00 -0.02 -4.09 118.16 116.62 2kzn n LYS 128 Ca -0.00 0.12 0.02 0.00 -0.00 0.00 0.00 58.31 58.44 2kzn n LYS 128 Cb 0.71 -1.80 0.37 0.00 0.00 0.00 0.00 35.03 34.30 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2kzn h LEU 129 N 0.00 0.44 -0.51 3.14 3.38 -0.98 -1.28 115.31 119.49 2kzn h LEU 129 Ca -0.03 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2kzn h LEU 129 Cb 1.10 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 2kzn h LEU 129 CO 0.01 0.44 0.18 0.50 0.09 0.00 0.00 178.44 179.66 2kzn h LYS 130 N 0.48 0.35 -0.37 1.13 3.64 -1.72 0.25 116.57 120.32 2kzn h LYS 130 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2kzn h LYS 130 Cb 0.16 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2kzn h LYS 130 CO -0.01 0.23 0.00 0.93 -2.27 0.00 0.00 179.45 178.34 2kzn h GLU 131 N 0.36 0.58 0.00 1.90 5.08 -1.49 -2.42 114.58 118.59 2kzn h GLU 131 Ca 0.25 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kzn h GLU 131 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kzn h GLU 131 CO -0.25 0.60 0.00 0.39 -1.00 0.00 0.00 179.01 178.75 2kzn n GLU 132 N -4.27 0.06 0.00 2.33 -0.58 -0.74 -4.89 120.64 112.56 2kzn n GLU 132 Ca 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kzn n GLU 132 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.39 0.69 0.01 0.62 0.00 -0.45 -5.00 105.19 102.45 2kzn n GLY 133 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.02 -0.38 1.61 4.11 0.74 -3.90 117.16 119.36 2kzn n TYR 134 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.90 57.87 2kzn n TYR 134 Cb 0.00 -0.31 -0.02 0.00 -0.00 0.00 0.00 39.34 39.01 2kzn n TYR 134 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2kzn n GLU 135 N -2.64 -0.30 0.04 -3.48 1.02 -1.26 -0.91 120.64 113.10 2kzn n GLU 135 Ca 0.01 1.45 0.00 0.00 -0.02 0.00 0.00 57.16 58.61 2kzn n GLU 135 Cb 0.05 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.24 2kzn n GLU 135 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2kzn h SER 136 N 0.00 0.00 0.11 1.62 0.02 -2.00 -3.29 113.55 110.01 2kzn h SER 136 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2kzn h SER 136 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kzn h SER 136 CO -0.92 0.58 -0.05 1.88 -1.14 0.00 0.00 176.83 177.17 2kzn h TYR 137 N 0.00 -0.13 0.00 3.45 -1.99 -1.33 -2.61 116.97 114.35 2kzn h TYR 137 Ca -0.15 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 2kzn h TYR 137 Cb 1.57 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 40.34 2kzn h TYR 137 CO 0.00 0.18 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.06 2kzn h LEU 138 N -0.46 0.00 -1.66 3.88 4.07 -1.24 -0.89 115.31 119.01 2kzn h LEU 138 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 2kzn h LEU 138 Cb 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2kzn h LEU 138 CO 0.02 0.21 -0.04 -0.74 -1.08 0.00 0.00 178.44 176.81 2kzn h HIS 139 N 0.00 0.16 0.02 1.13 2.76 -1.59 -0.85 115.15 116.78 2kzn h HIS 139 Ca -0.00 -0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 57.95 2kzn h HIS 139 Cb 1.03 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 2kzn h HIS 139 CO 0.00 0.21 -1.12 -0.07 -1.30 0.00 0.00 177.93 175.65 2kzn h LEU 140 N 0.16 0.08 -0.93 0.26 3.38 -1.31 -3.41 115.31 113.54 2kzn h LEU 140 Ca 0.04 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 2kzn h LEU 140 Cb 0.18 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2kzn h LEU 140 CO 0.01 1.45 0.34 0.15 0.09 0.00 0.00 178.44 180.48 2kzn h PHE 141 N -0.83 1.12 -4.08 1.13 3.57 -1.09 -3.46 116.94 113.30 2kzn h PHE 141 Ca -0.29 -0.06 -0.55 0.00 3.53 0.00 0.00 57.97 60.60 2kzn h PHE 141 Cb 1.37 -0.34 0.14 0.00 2.79 0.00 0.00 35.95 39.90 2kzn h PHE 141 CO 0.13 0.82 0.55 0.54 -2.23 0.00 0.00 178.31 178.12 2kzn s ASN 142 N -6.38 5.06 -0.30 0.41 6.03 -0.33 -4.98 114.94 114.45 2kzn s ASN 142 Ca -0.12 2.62 -0.23 0.00 -1.03 0.00 0.00 52.86 54.10 2kzn s ASN 142 Cb 0.16 -2.62 -0.00 0.00 -3.03 0.00 0.00 41.25 35.76 2kzn s ASN 142 CO 0.82 -1.70 0.78 -0.75 -2.03 0.00 0.00 177.10 174.23 2kzn s LYS 143 N -3.14 3.97 -1.08 3.55 2.20 -1.26 -4.98 119.74 119.00 2kzn s LYS 143 Ca 0.76 0.58 -0.23 0.00 -0.36 0.00 0.00 55.97 56.72 2kzn s LYS 143 Cb -0.37 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.16 2kzn s LYS 143 CO 0.42 -0.67 1.92 -0.51 -0.36 0.00 0.00 175.35 176.15 2kzn s LEU 144 N 2.94 3.13 0.15 5.43 2.01 -1.26 -4.78 118.68 126.31 2kzn s LEU 144 Ca 0.32 -1.31 -0.17 0.00 0.01 0.00 0.00 54.13 52.99 2kzn s LEU 144 Cb -0.14 -2.58 0.01 0.00 0.01 0.00 0.00 46.19 43.49 2kzn s LEU 144 CO 0.12 -2.85 1.81 -0.08 1.01 0.00 0.00 176.35 176.36 2kzn h GLU 145 N 10.25 0.48 -2.85 1.70 4.57 -2.05 -3.41 114.58 123.28 2kzn h GLU 145 Ca 0.18 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.12 2kzn h GLU 145 Cb 0.96 -0.11 -0.32 0.00 -0.16 0.00 0.00 28.75 29.12 2kzn h GLU 145 CO 1.23 0.32 -0.53 -1.58 -1.18 0.00 0.00 179.01 177.27 2kzn s HIS 146 N -6.16 -0.43 0.00 0.92 2.46 -1.26 -5.36 115.29 105.46 2kzn s HIS 146 Ca -0.13 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.38 2kzn s HIS 146 Cb 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2kzn s HIS 146 CO 0.72 -0.36 0.07 1.58 -2.47 0.00 0.00 174.74 174.28