#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 2.17 -0.28 -5.12 0.00 -1.26 -5.11 121.76 112.16 2kzn s ALA 2 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2kzn s ALA 2 Cb 0.00 -2.90 0.17 0.00 0.00 0.00 0.00 23.12 20.39 2kzn s ALA 2 CO 0.00 -2.22 0.52 -0.47 0.00 0.00 0.00 175.76 173.59 2kzn s TYR 3 N -3.59 -1.33 0.51 0.00 5.04 -1.26 -5.12 117.35 111.59 2kzn s TYR 3 Ca 0.67 1.35 0.06 0.00 -2.44 0.00 0.00 57.07 56.72 2kzn s TYR 3 Cb -0.09 0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.59 2kzn s TYR 3 CO 0.52 -0.84 0.40 -0.80 -1.34 0.00 0.00 175.55 173.49 2kzn s ASN 4 N 2.74 4.73 0.47 4.32 -0.87 -1.26 -5.00 114.94 120.07 2kzn s ASN 4 Ca 0.17 -1.10 0.25 0.00 -1.57 0.00 0.00 52.86 50.62 2kzn s ASN 4 Cb -0.15 0.11 1.12 0.00 -0.02 0.00 0.00 41.25 42.32 2kzn s ASN 4 CO -0.20 -0.97 1.92 0.07 -2.57 0.00 0.00 177.10 175.35 2kzn h LYS 5 N 0.84 0.00 0.34 -0.60 2.10 -2.02 -0.38 116.57 116.85 2kzn h LYS 5 Ca -0.38 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.25 2kzn h LYS 5 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2kzn h LYS 5 CO 0.57 0.19 -0.16 1.49 -2.00 0.00 0.00 179.45 179.54 2kzn h GLU 6 N 0.00 -0.44 0.00 0.07 4.22 -1.99 -2.36 114.58 114.07 2kzn h GLU 6 Ca -0.00 0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 2kzn h GLU 6 Cb 0.60 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kzn h GLU 6 CO 0.02 -0.18 -0.22 0.93 -2.18 0.00 0.00 179.01 177.38 2kzn h GLU 7 N -0.66 0.00 0.56 1.92 5.08 -1.90 -0.76 114.58 118.82 2kzn h GLU 7 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2kzn h GLU 7 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kzn h GLU 7 CO 0.08 0.22 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.82 2kzn h LYS 8 N 0.00 -0.72 -0.27 2.33 3.64 -1.03 -2.21 116.57 118.30 2kzn h LYS 8 Ca -0.00 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2kzn h LYS 8 Cb 0.61 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2kzn h LYS 8 CO 0.03 -0.46 -0.36 0.82 -2.27 0.00 0.00 179.45 177.21 2kzn h ILE 9 N -0.80 1.29 0.09 2.00 1.08 -1.12 -1.00 117.51 119.05 2kzn h ILE 9 Ca -0.08 -1.50 -0.00 0.00 -0.39 0.00 0.00 64.86 62.89 2kzn h ILE 9 Cb 0.60 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2kzn h ILE 9 CO 0.13 0.48 -0.04 0.50 -0.69 0.00 0.00 178.15 178.52 2kzn h LYS 10 N 0.51 -0.12 -0.30 2.37 3.64 -1.16 0.63 116.57 122.14 2kzn h LYS 10 Ca 0.05 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2kzn h LYS 10 Cb 0.86 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2kzn h LYS 10 CO 0.07 -0.07 -0.15 0.77 -2.27 0.00 0.00 179.45 177.81 2kzn h SER 11 N -0.14 0.66 -0.38 4.20 0.02 -1.38 -3.19 113.55 113.35 2kzn h SER 11 Ca -0.01 -0.41 0.08 0.00 -0.84 0.00 0.00 61.79 60.61 2kzn h SER 11 Cb 0.11 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 2kzn h SER 11 CO 0.02 0.92 -0.13 0.25 -1.14 0.00 0.00 176.83 176.74 2kzn h LEU 12 N 0.39 -0.47 -2.02 5.07 5.85 -1.08 -3.01 115.31 120.03 2kzn h LEU 12 Ca 0.07 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2kzn h LEU 12 Cb 0.67 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2kzn h LEU 12 CO 0.04 -0.17 0.00 0.78 -0.34 0.00 0.00 178.44 178.76 2kzn h ASN 13 N -0.06 0.00 0.02 1.25 -0.26 -0.85 0.13 115.58 115.81 2kzn h ASN 13 Ca 0.19 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 2kzn h ASN 13 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2kzn h ASN 13 CO -0.42 0.00 -0.01 0.03 -1.06 0.00 0.00 177.43 175.97 2kzn h ARG 14 N 0.00 -0.02 -0.23 0.81 3.08 -1.59 -1.74 114.38 114.69 2kzn h ARG 14 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2kzn h ARG 14 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2kzn h ARG 14 CO 0.00 -0.00 -0.59 1.98 -1.07 0.00 0.00 179.97 180.28 2kzn h MET 15 N -0.04 0.80 -0.95 0.04 4.05 -0.90 -1.36 114.93 116.58 2kzn h MET 15 Ca -0.00 -0.56 0.08 0.00 -0.28 0.00 0.00 59.70 58.94 2kzn h MET 15 Cb 0.03 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.85 2kzn h MET 15 CO 0.00 1.18 0.62 1.96 0.23 0.00 0.00 176.91 180.90 2kzn h GLN 16 N 0.55 1.03 -0.37 0.39 1.08 -1.32 -1.96 115.11 114.51 2kzn h GLN 16 Ca -0.01 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 2kzn h GLN 16 Cb 1.21 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 2kzn h GLN 16 CO 0.13 0.68 -0.04 -0.92 -0.95 0.00 0.00 178.83 177.73 2kzn h TYR 17 N 1.06 0.75 -0.68 2.96 3.20 -1.15 -1.84 116.97 121.27 2kzn h TYR 17 Ca 0.43 -0.14 0.15 0.00 3.14 0.00 0.00 58.73 62.30 2kzn h TYR 17 Cb 0.26 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2kzn h TYR 17 CO -0.00 0.80 0.46 0.93 -1.64 0.00 0.00 178.16 178.71 2kzn h GLU 18 N 0.49 0.28 0.00 1.82 5.08 -0.52 0.40 114.58 122.13 2kzn h GLU 18 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kzn h GLU 18 Cb 0.53 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kzn h GLU 18 CO 0.03 0.18 -0.02 0.28 -1.00 0.00 0.00 179.01 178.48 2kzn h VAL 19 N 0.29 1.69 -0.88 3.13 2.07 -1.24 -2.81 116.25 118.49 2kzn h VAL 19 Ca 0.33 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.62 2kzn h VAL 19 Cb 0.89 3.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.81 2kzn h VAL 19 CO -0.08 0.57 0.56 0.74 0.02 0.00 0.00 177.57 179.38 2kzn h THR 20 N -1.00 1.08 0.01 2.57 2.02 -1.05 0.38 112.91 116.92 2kzn h THR 20 Ca -0.01 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kzn h THR 20 Cb 0.96 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2kzn h THR 20 CO -0.00 0.19 -0.01 -0.61 0.37 0.00 0.00 175.52 175.46 2kzn h GLN 21 N 1.04 -0.01 -0.01 6.66 5.75 -1.06 -3.38 115.11 124.09 2kzn h GLN 21 Ca 0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 2kzn h GLN 21 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2kzn h GLN 21 CO -0.16 0.78 -0.04 -1.71 -2.65 0.00 0.00 178.83 175.05 2kzn n ASN 22 N -4.67 1.88 -1.58 -0.69 5.15 -1.13 -4.95 115.26 109.27 2kzn n ASN 22 Ca -0.08 -1.44 -0.14 0.00 -0.60 0.00 0.00 54.58 52.32 2kzn n ASN 22 Cb 0.39 0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 0.51 -4.20 -4.72 1.20 3.02 0.11 -4.96 115.26 106.23 2kzn n ASN 23 Ca 0.07 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2kzn n ASN 23 Cb 0.29 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.42 1.46 0.03 7.41 0.00 -1.08 -4.95 107.32 107.77 2kzn s GLY 24 Ca 0.02 1.43 -0.22 0.00 0.00 0.00 0.00 44.72 45.95 2kzn s GLY 24 CO 0.02 2.72 0.64 -1.08 0.00 0.00 0.00 173.10 175.40 2kzn s THR 25 N 1.24 4.80 0.54 0.90 -1.32 -1.26 -4.30 115.64 116.24 2kzn s THR 25 Ca 0.72 1.36 -0.22 0.00 -1.21 0.00 0.00 61.69 62.33 2kzn s THR 25 Cb -0.45 -3.98 -0.05 0.00 -1.51 0.00 0.00 72.50 66.51 2kzn s THR 25 CO 0.32 0.44 1.36 -1.84 -2.21 0.00 0.00 174.62 172.69 2kzn n GLU 26 N 2.48 1.73 -1.09 7.08 0.00 -1.26 -5.05 120.64 124.53 2kzn n GLU 26 Ca -0.06 0.64 -0.29 0.00 0.00 0.00 0.00 57.16 57.44 2kzn n GLU 26 Cb 0.51 -2.58 0.16 0.00 0.00 0.00 0.00 31.44 29.53 2kzn n GLU 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 2kzn s PRO 27 N -2.85 0.80 -0.79 3.44 0.02 -1.26 -4.88 135.00 129.49 2kzn s PRO 27 Ca 0.71 0.80 -0.26 0.00 0.02 0.00 0.00 61.00 62.27 2kzn s PRO 27 Cb -0.42 -1.76 -0.17 0.00 0.02 0.00 0.00 34.50 32.17 2kzn s PRO 27 CO 0.50 -2.55 2.50 -2.30 -0.33 0.00 0.00 177.00 174.82 2kzn n PRO 28 N -4.09 0.44 0.05 5.54 -0.02 -1.26 -4.23 135.00 131.43 2kzn n PRO 28 Ca 0.06 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2kzn n PRO 28 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2kzn n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2kzn n PHE 29 N 12.78 -1.65 -1.25 6.00 3.72 -1.26 -5.05 117.46 130.76 2kzn n PHE 29 Ca 0.54 0.26 -0.07 0.00 -0.05 0.00 0.00 57.45 58.12 2kzn n PHE 29 Cb 0.27 0.91 -0.07 0.00 -0.94 0.00 0.00 39.48 39.66 2kzn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kzn n GLN 30 N -2.77 0.06 -1.44 -1.08 10.64 -1.26 -4.76 117.38 116.75 2kzn n GLN 30 Ca 0.00 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.69 2kzn n GLN 30 Cb 0.00 -1.90 0.00 0.00 -0.86 0.00 0.00 30.24 27.48 2kzn n GLN 30 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2kzn n ASN 31 N 9.39 0.52 0.32 2.61 3.02 -1.26 -4.98 115.26 124.89 2kzn n ASN 31 Ca 0.22 -0.72 0.11 0.00 -0.03 0.00 0.00 54.58 54.16 2kzn n ASN 31 Cb 0.44 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.21 2kzn n ASN 31 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2kzn h GLU 32 N 0.00 0.00 0.01 3.52 4.39 -1.89 -0.68 114.58 119.92 2kzn h GLU 32 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kzn h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kzn h GLU 32 CO 0.00 0.00 -0.00 -0.92 -1.16 0.00 0.00 179.01 176.93 2kzn h TYR 33 N 0.00 -0.01 0.15 4.33 3.20 -1.96 -3.25 116.97 119.43 2kzn h TYR 33 Ca 0.00 -0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 2kzn h TYR 33 Cb 0.98 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2kzn h TYR 33 CO 0.00 0.75 -1.69 -1.49 -1.64 0.00 0.00 178.16 174.09 2kzn h TRP 34 N -0.79 0.57 -0.88 -3.82 4.06 -1.43 -3.37 115.95 110.29 2kzn h TRP 34 Ca -0.00 -0.42 -0.50 0.00 2.06 0.00 0.00 58.89 60.03 2kzn h TRP 34 Cb 0.76 -0.02 -0.42 0.00 -1.00 0.00 0.00 29.16 28.48 2kzn h TRP 34 CO 0.19 1.55 -0.87 -0.40 -3.56 0.00 0.00 178.44 175.35 2kzn n ASP 35 N -3.51 4.19 -4.66 -3.49 5.75 -1.00 -2.67 116.55 111.16 2kzn n ASP 35 Ca -0.22 -3.43 -0.48 0.00 -0.01 0.00 0.00 54.79 50.65 2kzn n ASP 35 Cb 1.06 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 40.71 2kzn n ASP 35 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2kzn n HIS 36 N -0.61 2.12 1.32 2.11 -0.00 -1.23 -4.85 115.22 114.09 2kzn n HIS 36 Ca 0.36 0.32 0.04 0.00 0.46 0.00 0.00 57.72 58.89 2kzn n HIS 36 Cb 0.87 -2.51 0.23 0.00 -0.12 0.00 0.00 29.99 28.46 2kzn n HIS 36 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kzn n LYS 37 N 3.71 0.66 -2.21 1.57 5.02 -1.26 -4.82 118.16 120.83 2kzn n LYS 37 Ca 0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 2kzn n LYS 37 Cb 0.26 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2kzn s GLU 38 N -2.00 4.42 0.18 1.97 -1.05 -1.26 -4.93 118.70 116.02 2kzn s GLU 38 Ca 0.12 2.10 -0.32 0.00 -0.15 0.00 0.00 54.97 56.71 2kzn s GLU 38 Cb 0.05 -3.13 -0.16 0.00 -0.44 0.00 0.00 34.13 30.46 2kzn s GLU 38 CO 0.09 -0.14 1.12 -0.85 0.95 0.00 0.00 175.26 176.43 2kzn n GLU 39 N 1.44 1.09 0.00 -4.83 0.28 -1.26 -4.75 120.64 112.61 2kzn n GLU 39 Ca 0.02 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2kzn n GLU 39 Cb 0.43 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.44 2kzn n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kzn n GLY 40 N 1.93 -0.53 3.26 -1.84 0.00 -1.26 -1.08 105.19 105.67 2kzn n GLY 40 Ca 0.15 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 1.75 -0.19 0.99 1.43 -0.39 -1.24 118.68 121.03 2kzn s LEU 41 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 2kzn s LEU 41 Cb 0.00 0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.34 2kzn s LEU 41 CO 0.00 -0.69 -0.08 -0.31 0.23 0.00 0.00 176.35 175.50 2kzn s TYR 42 N -3.81 2.08 0.13 0.29 2.02 -0.43 -1.15 117.35 116.48 2kzn s TYR 42 Ca 0.32 -1.37 0.07 0.00 -0.37 0.00 0.00 57.07 55.73 2kzn s TYR 42 Cb 0.07 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2kzn s TYR 42 CO 0.09 -0.69 -0.17 0.14 -1.57 0.00 0.00 175.55 173.35 2kzn s VAL 43 N 1.51 1.61 -0.41 0.71 -7.23 -1.08 -2.52 120.40 112.99 2kzn s VAL 43 Ca -0.01 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2kzn s VAL 43 Cb -0.16 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.16 2kzn s VAL 43 CO -0.08 -0.28 1.40 -0.62 -0.31 0.00 0.00 175.10 175.22 2kzn s ASP 44 N -2.36 6.36 0.56 4.85 -1.08 -1.19 -2.22 116.67 121.59 2kzn s ASP 44 Ca 0.10 0.85 0.27 0.00 -0.52 0.00 0.00 52.55 53.25 2kzn s ASP 44 Cb -0.07 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.33 2kzn s ASP 44 CO 0.05 -1.41 1.99 0.40 0.52 0.00 0.00 175.17 176.72 2kzn h ILE 45 N 6.43 0.57 -0.22 4.11 2.04 -1.53 0.90 117.51 129.80 2kzn h ILE 45 Ca -0.27 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.65 2kzn h ILE 45 Cb 1.10 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2kzn h ILE 45 CO 1.08 0.00 0.23 -0.37 0.00 0.00 0.00 178.15 179.09 2kzn h VAL 46 N 0.00 0.49 0.00 1.67 -1.51 -1.90 -3.28 116.25 111.72 2kzn h VAL 46 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 2kzn h VAL 46 Cb 0.96 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kzn h VAL 46 CO -0.00 0.00 -0.27 -1.54 -1.23 0.00 0.00 177.57 174.52 2kzn n SER 47 N -3.85 1.37 -1.37 4.19 3.41 -0.76 -5.05 113.62 111.57 2kzn n SER 47 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 2kzn n SER 47 Cb 0.36 0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.16 0.29 3.74 5.00 0.00 0.24 -5.05 105.19 110.57 2kzn n GLY 48 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -5.10 4.16 0.06 1.61 -0.14 -1.24 -4.90 119.74 114.18 2kzn s LYS 49 Ca 0.14 -0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.35 2kzn s LYS 49 Cb -0.06 -3.40 -0.09 0.00 -1.68 0.00 0.00 37.83 32.60 2kzn s LYS 49 CO 0.17 0.31 1.80 -2.14 -0.76 0.00 0.00 175.35 174.74 2kzn s PRO 50 N 0.29 4.16 -0.19 -1.68 0.02 -1.26 -3.18 135.00 133.16 2kzn s PRO 50 Ca 0.12 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.55 2kzn s PRO 50 Cb -0.12 -3.81 -0.09 0.00 0.02 0.00 0.00 34.50 30.50 2kzn s PRO 50 CO 0.01 -0.85 -0.22 1.28 -0.33 0.00 0.00 177.00 176.90 2kzn n LEU 51 N 6.38 1.86 -3.55 -5.54 4.77 -1.05 -4.61 117.00 115.28 2kzn n LEU 51 Ca 0.18 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2kzn n LEU 51 Cb 0.40 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2kzn n LEU 51 CO 0.65 0.52 0.27 0.72 -1.33 0.00 0.00 177.39 178.22 2kzn s PHE 52 N -2.35 -0.36 0.34 -1.77 -0.71 -1.17 -1.10 117.98 110.86 2kzn s PHE 52 Ca -0.26 0.14 -0.09 0.00 -1.04 0.00 0.00 56.93 55.68 2kzn s PHE 52 Cb 0.09 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.21 2kzn s PHE 52 CO 0.36 -0.75 0.68 0.95 -1.34 0.00 0.00 175.22 175.12 2kzn s THR 53 N -3.57 4.86 -0.03 -4.49 -4.23 -1.26 -1.32 115.64 105.60 2kzn s THR 53 Ca 0.01 0.49 0.20 0.00 -1.18 0.00 0.00 61.69 61.21 2kzn s THR 53 Cb 0.00 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.31 2kzn s THR 53 CO -0.11 -0.36 1.64 -1.28 -0.54 0.00 0.00 174.62 173.97 2kzn h SER 54 N 1.67 0.00 -0.59 3.99 0.87 -1.47 -1.36 113.55 116.66 2kzn h SER 54 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2kzn h SER 54 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2kzn h SER 54 CO 0.65 0.34 0.38 0.50 -0.53 0.00 0.00 176.83 178.17 2kzn h LYS 55 N 0.00 0.79 -1.07 2.24 1.63 -1.93 -3.12 116.57 115.11 2kzn h LYS 55 Ca -0.00 -0.05 -0.46 0.00 -0.85 0.00 0.00 60.65 59.29 2kzn h LYS 55 Cb 1.04 -0.18 -0.41 0.00 -0.60 0.00 0.00 32.23 32.09 2kzn h LYS 55 CO 0.04 0.53 -0.96 -0.25 -3.45 0.00 0.00 179.45 175.37 2kzn n ASP 56 N -4.44 3.19 -4.79 4.20 8.00 -1.20 -5.08 116.55 116.43 2kzn n ASP 56 Ca 0.06 -3.14 -0.36 0.00 0.71 0.00 0.00 54.79 52.06 2kzn n ASP 56 Cb 0.05 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.44 4.45 -0.10 -1.24 2.20 -0.52 -4.60 119.74 116.48 2kzn s LYS 57 Ca 0.38 1.33 -0.02 0.00 -0.36 0.00 0.00 55.97 57.31 2kzn s LYS 57 Cb 0.41 -2.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2kzn s LYS 57 CO -0.06 0.15 -0.02 0.12 -0.36 0.00 0.00 175.35 175.19 2kzn s PHE 58 N -1.71 3.09 0.80 4.03 5.36 -1.26 -5.05 117.98 123.25 2kzn s PHE 58 Ca 0.53 0.04 -0.11 0.00 -0.96 0.00 0.00 56.93 56.43 2kzn s PHE 58 Cb -0.18 -1.83 0.07 0.00 -0.34 0.00 0.00 43.02 40.74 2kzn s PHE 58 CO 0.23 0.31 1.09 -0.51 -1.46 0.00 0.00 175.22 174.87 2kzn s ASP 59 N -0.50 4.41 -0.98 6.13 1.01 -1.26 -4.41 116.67 121.07 2kzn s ASP 59 Ca 0.08 1.47 -0.18 0.00 0.71 0.00 0.00 52.55 54.63 2kzn s ASP 59 Cb -0.12 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.50 2kzn s ASP 59 CO 0.02 -2.04 2.04 -1.20 0.21 0.00 0.00 175.17 174.20 2kzn n SER 60 N -3.50 3.18 -0.02 0.27 7.64 -1.26 -4.32 113.62 115.61 2kzn n SER 60 Ca 0.07 -2.69 -0.03 0.00 1.01 0.00 0.00 58.87 57.23 2kzn n SER 60 Cb 0.55 -1.27 -0.13 0.00 -1.01 0.00 0.00 64.21 62.36 2kzn n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kzn n GLN 61 N 6.49 0.65 -1.16 1.43 1.13 -1.26 -4.18 117.38 120.48 2kzn n GLN 61 Ca 0.51 0.11 -0.20 0.00 -1.94 0.00 0.00 57.00 55.47 2kzn n GLN 61 Cb 0.38 -1.68 0.18 0.00 0.11 0.00 0.00 30.24 29.23 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kzn n GLY 63 N -1.14 2.06 3.48 0.00 0.00 -1.26 -4.91 105.19 103.42 2kzn n GLY 63 Ca 0.55 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 2.51 -0.09 1.61 0.51 -1.26 -4.81 118.94 117.41 2kzn s TRP 64 Ca 0.00 -0.27 -0.29 0.00 -2.12 0.00 0.00 56.10 53.41 2kzn s TRP 64 Cb 0.00 -1.33 -0.06 0.00 -0.81 0.00 0.00 33.47 31.27 2kzn s TRP 64 CO 0.00 0.39 1.85 -1.25 -0.51 0.00 0.00 176.95 177.43 2kzn s PRO 65 N -2.16 3.89 -0.32 4.98 0.04 -1.19 -4.53 135.00 135.70 2kzn s PRO 65 Ca 0.18 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2kzn s PRO 65 Cb -0.10 -4.13 0.10 0.00 0.04 0.00 0.00 34.50 30.41 2kzn s PRO 65 CO 0.10 -1.22 0.07 -1.54 0.04 0.00 0.00 177.00 174.45 2kzn s SER 66 N 4.82 4.39 0.48 6.66 1.04 -1.26 -1.65 113.70 128.18 2kzn s SER 66 Ca 0.83 -1.87 0.06 0.00 0.48 0.00 0.00 55.95 55.44 2kzn s SER 66 Cb -0.34 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.51 2kzn s SER 66 CO 0.35 -0.39 0.25 0.12 0.98 0.00 0.00 173.24 174.54 2kzn s PHE 67 N 1.25 2.14 -0.86 5.02 5.36 -0.18 -4.82 117.98 125.90 2kzn s PHE 67 Ca 0.10 -0.73 0.25 0.00 -0.96 0.00 0.00 56.93 55.59 2kzn s PHE 67 Cb -0.18 -1.90 0.53 0.00 -0.34 0.00 0.00 43.02 41.13 2kzn s PHE 67 CO -0.16 -0.07 1.44 -2.37 -1.46 0.00 0.00 175.22 172.61 2kzn n THR 68 N -1.45 0.14 -4.04 0.12 5.66 -1.26 -0.52 114.28 112.92 2kzn n THR 68 Ca -0.04 -0.11 -0.32 0.00 -3.05 0.00 0.00 64.05 60.53 2kzn n THR 68 Cb 0.65 0.01 -0.15 0.00 -1.55 0.00 0.00 70.33 69.29 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 -3.06 2.08 0.82 1.09 2.20 -1.26 -4.55 119.74 117.05 2kzn s LYS 69 Ca 0.10 -1.47 -0.12 0.00 -0.36 0.00 0.00 55.97 54.11 2kzn s LYS 69 Cb 0.16 -2.99 0.09 0.00 -1.51 0.00 0.00 37.83 33.58 2kzn s LYS 69 CO 0.69 -0.66 1.19 -1.25 -0.36 0.00 0.00 175.35 174.95 2kzn s PRO 70 N 1.07 1.82 -0.33 4.03 0.04 -1.26 -4.79 135.00 135.57 2kzn s PRO 70 Ca -0.04 0.03 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 2kzn s PRO 70 Cb -0.20 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kzn s PRO 70 CO -0.05 -1.68 0.27 0.42 0.04 0.00 0.00 177.00 176.00 2kzn s ILE 71 N -3.60 5.26 -0.05 0.56 1.01 -0.26 -4.95 121.20 119.17 2kzn s ILE 71 Ca 0.63 -0.07 0.29 0.00 0.00 0.00 0.00 60.65 61.50 2kzn s ILE 71 Cb -0.10 -3.72 0.29 0.00 0.01 0.00 0.00 42.46 38.95 2kzn s ILE 71 CO 0.49 0.01 1.87 -0.33 0.00 0.00 0.00 174.94 176.98 2kzn h GLU 72 N 8.46 0.00 0.06 2.79 4.39 -1.90 -3.13 114.58 125.24 2kzn h GLU 72 Ca -0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 2kzn h GLU 72 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2kzn h GLU 72 CO 0.64 0.00 -0.03 1.49 -1.16 0.00 0.00 179.01 179.95 2kzn h GLU 73 N 0.00 -0.08 0.00 2.33 4.81 -1.94 -3.38 114.58 116.32 2kzn h GLU 73 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2kzn h GLU 73 Cb 0.15 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2kzn h GLU 73 CO 0.00 0.39 0.00 -1.91 -0.73 0.00 0.00 179.01 176.76 2kzn n GLU 74 N -4.89 1.79 -3.85 1.92 4.07 -1.23 -4.97 120.64 113.48 2kzn n GLU 74 Ca -0.09 -1.18 -0.36 0.00 -0.06 0.00 0.00 57.16 55.47 2kzn n GLU 74 Cb 0.26 -0.98 -0.13 0.00 -0.06 0.00 0.00 31.44 30.53 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 -0.69 3.94 -0.22 6.31 1.01 -1.19 -4.78 120.40 124.78 2kzn s VAL 75 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2kzn s VAL 75 Cb 0.00 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2kzn s VAL 75 CO 0.00 0.38 -0.02 -1.61 0.00 0.00 0.00 175.10 173.85 2kzn s GLU 76 N 1.49 3.44 -0.07 2.72 2.02 -1.26 -4.78 118.70 122.25 2kzn s GLU 76 Ca 0.06 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.21 2kzn s GLU 76 Cb -0.15 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 2kzn s GLU 76 CO 0.01 -0.18 0.75 -1.83 0.02 0.00 0.00 175.26 174.03 2kzn s GLU 77 N 1.46 4.43 -0.19 1.61 -1.05 -1.26 -1.47 118.70 122.22 2kzn s GLU 77 Ca 0.05 0.96 -0.04 0.00 -0.15 0.00 0.00 54.97 55.79 2kzn s GLU 77 Cb -0.14 -3.47 0.09 0.00 -0.44 0.00 0.00 34.13 30.17 2kzn s GLU 77 CO -0.02 -0.01 0.24 0.21 0.95 0.00 0.00 175.26 176.63 2kzn s LYS 78 N 1.03 0.19 0.42 -4.83 2.20 -0.06 -4.98 119.74 113.71 2kzn s LYS 78 Ca 0.39 0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 56.08 2kzn s LYS 78 Cb -0.18 -0.94 -0.08 0.00 -1.51 0.00 0.00 37.83 35.12 2kzn s LYS 78 CO 0.18 -0.59 1.13 -1.17 -0.36 0.00 0.00 175.35 174.54 2kzn s LEU 79 N 2.36 4.10 0.26 5.43 2.96 -1.26 -1.57 118.68 130.96 2kzn s LEU 79 Ca 0.07 2.23 -0.08 0.00 -0.22 0.00 0.00 54.13 56.13 2kzn s LEU 79 Cb -0.15 -4.16 -0.01 0.00 0.50 0.00 0.00 46.19 42.37 2kzn s LEU 79 CO -0.12 -0.71 0.40 1.51 -1.32 0.00 0.00 176.35 176.11 2kzn s ASP 80 N -1.37 0.19 -0.04 3.68 -4.77 -0.09 -4.94 116.67 109.33 2kzn s ASP 80 Ca 0.60 -1.16 -0.02 0.00 -3.30 0.00 0.00 52.55 48.67 2kzn s ASP 80 Cb -0.27 0.56 0.03 0.00 -1.09 0.00 0.00 42.92 42.15 2kzn s ASP 80 CO 0.33 -1.11 0.06 0.28 0.70 0.00 0.00 175.17 175.43 2kzn s THR 81 N -3.82 -0.11 -0.11 2.11 -1.32 -1.26 -1.21 115.64 109.92 2kzn s THR 81 Ca 0.28 0.40 -0.02 0.00 -1.21 0.00 0.00 61.69 61.14 2kzn s THR 81 Cb 0.01 -0.15 -0.01 0.00 -1.51 0.00 0.00 72.50 70.85 2kzn s THR 81 CO 0.12 0.17 -0.04 0.28 -2.21 0.00 0.00 174.62 172.94 2kzn h SER 82 N 8.29 0.00 -1.53 8.08 0.02 -1.94 -3.47 113.55 123.00 2kzn h SER 82 Ca -0.16 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.53 2kzn h SER 82 Cb 1.12 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.41 2kzn h SER 82 CO 0.19 0.54 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.82 2kzn s HIS 83 N -1.68 -0.84 0.00 3.45 3.76 -1.26 -4.98 115.29 113.73 2kzn s HIS 83 Ca -0.03 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2kzn s HIS 83 Cb 0.00 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.59 2kzn s HIS 83 CO 0.04 -1.07 0.00 0.41 -0.85 0.00 0.00 174.74 173.27 2kzn n GLY 84 N 3.98 2.64 3.69 -2.22 0.00 -1.26 -4.94 105.19 107.08 2kzn n GLY 84 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 2.99 0.45 1.61 1.00 -1.26 -5.12 119.30 118.97 2kzn s MET 85 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 55.69 55.16 2kzn s MET 85 Cb 0.00 -2.80 -0.07 0.00 0.00 0.00 0.00 34.83 31.96 2kzn s MET 85 CO 0.00 0.70 0.85 0.96 0.00 0.00 0.00 175.02 177.54 2kzn s ILE 86 N -0.90 4.70 0.13 2.53 -4.36 -1.26 -3.35 121.20 118.69 2kzn s ILE 86 Ca 0.14 0.83 -0.03 0.00 -0.26 0.00 0.00 60.65 61.32 2kzn s ILE 86 Cb -0.11 -3.74 -0.03 0.00 1.25 0.00 0.00 42.46 39.83 2kzn s ILE 86 CO 0.03 -0.61 0.11 -0.13 0.24 0.00 0.00 174.94 174.58 2kzn s ARG 87 N -3.99 0.96 -0.02 0.37 0.52 -0.35 -4.98 118.95 111.47 2kzn s ARG 87 Ca 0.54 -1.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 2kzn s ARG 87 Cb -0.10 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 2kzn s ARG 87 CO 0.32 -0.29 -0.18 0.99 0.02 0.00 0.00 175.30 176.16 2kzn s THR 88 N -4.01 1.45 0.07 0.02 2.01 -1.17 -0.92 115.64 113.09 2kzn s THR 88 Ca 0.21 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2kzn s THR 88 Cb 0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2kzn s THR 88 CO 0.00 0.41 -0.20 -1.61 -0.69 0.00 0.00 174.62 172.54 2kzn s GLU 89 N -0.40 1.20 -0.30 4.92 2.02 -0.61 -0.91 118.70 124.62 2kzn s GLU 89 Ca 0.06 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 2kzn s GLU 89 Cb -0.07 -1.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.79 2kzn s GLU 89 CO -0.01 0.33 0.51 0.14 0.02 0.00 0.00 175.26 176.25 2kzn s VAL 90 N -0.97 5.05 -0.29 2.63 -7.23 -0.68 -0.88 120.40 118.03 2kzn s VAL 90 Ca 0.06 0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 60.73 2kzn s VAL 90 Cb -0.09 -3.88 0.12 0.00 0.56 0.00 0.00 36.38 33.08 2kzn s VAL 90 CO 0.03 -0.05 0.72 0.00 -0.31 0.00 0.00 175.10 175.49 2kzn s ARG 91 N 2.35 0.58 0.99 4.82 1.70 -0.54 -2.93 118.95 125.91 2kzn s ARG 91 Ca 0.20 1.24 -0.14 0.00 -0.47 0.00 0.00 55.73 56.56 2kzn s ARG 91 Cb -0.15 0.51 0.18 0.00 -0.57 0.00 0.00 34.95 34.92 2kzn s ARG 91 CO 0.11 -0.16 1.14 0.45 -1.08 0.00 0.00 175.30 175.76 2kzn s SER 92 N 2.29 2.81 -0.14 -2.89 0.15 -1.25 -4.47 113.70 110.21 2kzn s SER 92 Ca -0.07 0.87 -0.23 0.00 0.70 0.00 0.00 55.95 57.21 2kzn s SER 92 Cb -0.08 -1.34 -0.25 0.00 -1.71 0.00 0.00 66.02 62.63 2kzn s SER 92 CO -0.19 -2.98 0.58 0.08 1.20 0.00 0.00 173.24 171.94 2kzn h ARG 93 N -1.79 0.10 0.00 5.44 0.11 -1.98 -3.36 114.38 112.89 2kzn h ARG 93 Ca -0.50 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.42 2kzn h ARG 93 Cb 1.32 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2kzn h ARG 93 CO 0.54 1.08 -0.06 1.15 0.10 0.00 0.00 179.97 182.78 2kzn h THR 94 N -0.75 0.00 0.00 0.08 2.02 -2.04 -3.48 112.91 108.74 2kzn h THR 94 Ca -0.19 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2kzn h THR 94 Cb 1.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kzn h THR 94 CO -0.03 0.00 -0.95 0.00 0.37 0.00 0.00 175.52 174.91 2kzn n ALA 95 N -2.38 2.81 0.88 6.16 0.00 -1.26 -4.79 120.51 121.94 2kzn n ALA 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kzn n ALA 95 Cb 0.03 0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.88 0.22 0.00 0.00 8.00 -1.26 -4.21 116.55 116.41 2kzn n ASP 96 Ca 0.00 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2kzn n ASP 96 Cb 0.48 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kzn n SER 97 N -0.22 0.00 -0.02 -2.24 7.64 -1.26 -2.79 113.62 114.74 2kzn n SER 97 Ca 0.00 0.21 0.14 0.00 1.01 0.00 0.00 58.87 60.23 2kzn n SER 97 Cb 0.05 -0.21 0.59 0.00 -1.01 0.00 0.00 64.21 63.63 2kzn n SER 97 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kzn n HIS 98 N -1.21 0.00 0.00 1.43 8.25 -1.26 -4.63 115.22 117.81 2kzn n HIS 98 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kzn n HIS 98 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.36 0.00 0.00 2.41 4.77 -1.12 -4.73 117.00 116.97 2kzn n LEU 99 Ca 0.09 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 2kzn n LEU 99 Cb 0.31 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2kzn n LEU 99 CO 0.27 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2kzn n GLY 100 N -0.90 -0.67 3.28 -0.72 0.00 -1.15 -2.62 105.19 102.40 2kzn n GLY 100 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 2kzn n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kzn s HIS 101 N -3.00 1.95 -0.01 1.61 0.09 -0.40 -1.69 115.29 113.84 2kzn s HIS 101 Ca 0.00 -0.39 0.03 0.00 -0.00 0.00 0.00 55.06 54.70 2kzn s HIS 101 Cb 0.00 -1.15 -0.01 0.00 -0.00 0.00 0.00 32.58 31.42 2kzn s HIS 101 CO 0.00 0.12 -0.10 0.14 -0.00 0.00 0.00 174.74 174.89 2kzn s VAL 102 N -0.83 0.83 0.04 -0.90 -7.23 -0.09 -2.29 120.40 109.93 2kzn s VAL 102 Ca 0.09 -0.43 0.09 0.00 -1.81 0.00 0.00 61.98 59.91 2kzn s VAL 102 Cb -0.09 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2kzn s VAL 102 CO 0.02 0.24 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.44 2kzn s PHE 103 N -0.13 2.34 -2.00 2.82 0.08 -1.20 -3.05 117.98 116.84 2kzn s PHE 103 Ca 0.02 -0.40 0.15 0.00 0.12 0.00 0.00 56.93 56.82 2kzn s PHE 103 Cb -0.05 -1.40 0.89 0.00 -0.57 0.00 0.00 43.02 41.89 2kzn s PHE 103 CO -0.00 0.13 1.48 0.09 -0.10 0.00 0.00 175.22 176.82 2kzn n ASN 104 N 1.80 0.00 0.05 1.36 4.13 -1.26 -0.80 115.26 120.54 2kzn n ASN 104 Ca -0.17 -1.28 0.12 0.00 1.68 0.00 0.00 54.58 54.93 2kzn n ASN 104 Cb 0.52 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.86 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 -0.77 0.67 -4.69 6.41 2.03 -1.26 -4.86 116.55 114.08 2kzn n ASP 105 Ca 0.11 0.02 -0.37 0.00 0.52 0.00 0.00 54.79 55.07 2kzn n ASP 105 Cb 0.05 0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 40.82 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 -3.74 2.14 0.19 0.27 0.00 -1.11 -5.04 107.32 100.04 2kzn s GLY 106 Ca 0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 2kzn s GLY 106 CO 0.76 0.64 1.40 -4.14 0.00 0.00 0.00 173.10 171.76 2kzn s PRO 107 N 0.96 4.31 0.25 2.90 0.02 -1.26 -3.06 135.00 139.12 2kzn s PRO 107 Ca 0.17 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 2kzn s PRO 107 Cb -0.14 -3.17 0.07 0.00 0.02 0.00 0.00 34.50 31.28 2kzn s PRO 107 CO 0.06 -0.39 0.96 0.20 -0.33 0.00 0.00 177.00 177.50 2kzn s GLY 108 N 0.60 0.22 0.27 0.52 0.00 -1.26 -4.76 107.32 102.91 2kzn s GLY 108 Ca 0.61 -0.50 -0.00 0.00 0.00 0.00 0.00 44.72 44.83 2kzn s GLY 108 CO 0.37 1.71 1.77 -2.55 0.00 0.00 0.00 173.10 174.40 2kzn h PRO 109 N 2.00 0.63 0.00 2.90 0.11 -1.90 -2.04 132.00 133.70 2kzn h PRO 109 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2kzn h PRO 109 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kzn h PRO 109 CO 0.38 0.42 -1.94 -1.71 -0.21 0.00 0.00 178.00 174.94 2kzn n ASN 110 N -4.85 0.25 -0.07 -2.05 5.15 -1.26 -5.01 115.26 107.42 2kzn n ASN 110 Ca 0.18 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 2kzn n ASN 110 Cb 0.45 1.94 0.00 0.00 -0.53 0.00 0.00 39.78 41.64 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 1.32 1.28 3.59 8.20 0.00 -0.77 -5.11 105.19 113.71 2kzn n GLY 111 Ca -0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2kzn n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kzn s LEU 112 N -0.13 3.08 -0.44 0.99 1.43 -1.17 -4.11 118.68 118.33 2kzn s LEU 112 Ca 0.00 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2kzn s LEU 112 Cb 0.00 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.48 2kzn s LEU 112 CO 0.00 0.15 0.30 -0.60 0.23 0.00 0.00 176.35 176.43 2kzn s ARG 113 N -2.47 2.67 -0.86 1.70 3.52 0.02 -4.45 118.95 119.07 2kzn s ARG 113 Ca 0.23 -1.49 -0.25 0.00 -0.13 0.00 0.00 55.73 54.09 2kzn s ARG 113 Cb -0.10 -3.88 0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2kzn s ARG 113 CO 0.15 -1.01 1.35 -0.47 -0.81 0.00 0.00 175.30 174.51 2kzn s TYR 114 N 1.46 2.39 -0.30 5.12 5.04 0.32 -3.28 117.35 128.10 2kzn s TYR 114 Ca 0.04 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2kzn s TYR 114 Cb -0.24 -4.66 0.06 0.00 0.35 0.00 0.00 41.96 37.48 2kzn s TYR 114 CO 0.03 -2.01 -0.01 0.00 -1.34 0.00 0.00 175.55 172.21 2kzn s ILE 116 N 1.15 3.46 0.13 0.00 -1.09 -0.66 -1.27 121.20 122.93 2kzn s ILE 116 Ca -0.03 -1.14 -0.22 0.00 -2.23 0.00 0.00 60.65 57.04 2kzn s ILE 116 Cb -0.20 -2.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.01 2kzn s ILE 116 CO -0.03 0.18 0.67 0.54 -1.23 0.00 0.00 174.94 175.07 2kzn s ASN 117 N -2.02 7.19 0.51 3.58 2.20 -1.08 -3.16 114.94 122.16 2kzn s ASN 117 Ca 0.21 1.43 0.31 0.00 -0.94 0.00 0.00 52.86 53.87 2kzn s ASN 117 Cb -0.11 -2.42 1.09 0.00 -2.00 0.00 0.00 41.25 37.81 2kzn s ASN 117 CO 0.13 0.21 1.88 0.28 -2.94 0.00 0.00 177.10 176.66 2kzn h SER 118 N 4.28 0.00 -0.41 3.54 0.02 -1.93 -2.93 113.55 116.12 2kzn h SER 118 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 2kzn h SER 118 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2kzn h SER 118 CO 0.65 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 176.29 2kzn h ALA 119 N 2.01 1.01 -0.00 3.77 0.00 -1.95 -2.80 119.26 121.30 2kzn h ALA 119 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kzn h ALA 119 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kzn h ALA 119 CO 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 2kzn n ALA 120 N -2.48 2.55 -2.84 0.00 0.00 -1.11 -4.89 120.51 111.74 2kzn n ALA 120 Ca 0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 2kzn n ALA 120 Cb 0.34 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.89 4.08 -0.03 0.00 1.43 -1.06 -1.30 118.68 118.91 2kzn s LEU 121 Ca 0.17 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2kzn s LEU 121 Cb 0.19 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2kzn s LEU 121 CO 0.54 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 177.26 2kzn s ARG 122 N -2.04 1.01 0.13 1.70 1.70 -0.94 -4.87 118.95 115.63 2kzn s ARG 122 Ca 0.27 -0.30 -0.31 0.00 -0.47 0.00 0.00 55.73 54.93 2kzn s ARG 122 Cb -0.12 -0.94 -0.08 0.00 -0.57 0.00 0.00 34.95 33.24 2kzn s ARG 122 CO 0.19 0.09 1.35 -0.59 -1.08 0.00 0.00 175.30 175.26 2kzn s PHE 123 N 0.30 3.26 -0.32 5.89 -0.71 -1.09 -2.63 117.98 122.68 2kzn s PHE 123 Ca -0.05 1.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.90 2kzn s PHE 123 Cb -0.10 -3.64 0.10 0.00 -1.21 0.00 0.00 43.02 38.17 2kzn s PHE 123 CO 0.01 -2.16 0.07 0.08 -1.34 0.00 0.00 175.22 171.88 2kzn s VAL 124 N 0.83 1.45 0.69 -2.49 1.01 -0.30 -4.98 120.40 116.62 2kzn s VAL 124 Ca 0.62 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 2kzn s VAL 124 Cb -0.36 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 2kzn s VAL 124 CO 0.32 -0.61 1.05 -2.65 0.00 0.00 0.00 175.10 173.21 2kzn n PRO 125 N 4.61 0.67 0.06 2.72 -0.02 -1.26 -1.26 135.00 140.51 2kzn n PRO 125 Ca -0.00 0.28 0.21 0.00 -2.02 0.00 0.00 63.50 61.97 2kzn n PRO 125 Cb 0.42 -2.29 0.74 0.00 -0.02 0.00 0.00 33.50 32.35 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 -0.02 0.00 -0.23 -0.52 3.64 -1.43 0.19 116.57 118.21 2kzn h LYS 126 Ca -0.48 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.70 2kzn h LYS 126 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2kzn h LYS 126 CO 0.49 0.00 -0.63 1.25 -2.27 0.00 0.00 179.45 178.28 2kzn h HIS 127 N 0.00 1.07 0.00 1.91 2.76 -1.90 -2.72 115.15 116.28 2kzn h HIS 127 Ca 0.22 -0.42 -0.14 0.00 -2.20 0.00 0.00 60.37 57.82 2kzn h HIS 127 Cb 1.09 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 2kzn h HIS 127 CO 0.00 1.25 -0.70 -0.22 -1.30 0.00 0.00 177.93 176.96 2kzn h LYS 128 N 0.59 0.00 -0.26 5.26 1.63 -1.09 -3.09 116.57 119.61 2kzn h LYS 128 Ca -0.02 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 2kzn h LYS 128 Cb 1.25 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2kzn h LYS 128 CO 0.14 0.65 -0.37 -0.07 -3.45 0.00 0.00 179.45 176.34 2kzn h LEU 129 N 0.00 0.62 -1.62 5.20 3.38 -0.86 -2.06 115.31 119.97 2kzn h LEU 129 Ca -0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2kzn h LEU 129 Cb 1.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2kzn h LEU 129 CO 0.08 0.93 -0.20 0.50 0.09 0.00 0.00 178.44 179.84 2kzn h LYS 130 N 0.49 0.00 0.04 1.13 3.64 -1.40 0.39 116.57 120.87 2kzn h LYS 130 Ca 0.05 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 2kzn h LYS 130 Cb 0.87 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2kzn h LYS 130 CO 0.07 0.20 -1.08 1.49 -2.27 0.00 0.00 179.45 177.86 2kzn h GLU 131 N 0.00 0.58 -0.03 1.90 4.81 -1.51 -3.34 114.58 116.99 2kzn h GLU 131 Ca -0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2kzn h GLU 131 Cb 0.37 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2kzn h GLU 131 CO 0.03 1.28 0.00 0.39 -0.73 0.00 0.00 179.01 179.97 2kzn n GLU 132 N -3.79 1.84 0.00 1.92 1.02 -0.77 -4.91 120.64 115.95 2kzn n GLU 132 Ca -0.10 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 2kzn n GLU 132 Cb 0.91 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kzn n GLY 133 N 1.22 0.73 0.21 0.62 0.00 0.19 -5.00 105.19 103.15 2kzn n GLY 133 Ca 0.18 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 0.40 0.25 1.61 4.11 0.11 -1.07 117.16 122.57 2kzn n TYR 134 Ca 0.00 0.40 0.11 0.00 -0.00 0.00 0.00 57.90 58.42 2kzn n TYR 134 Cb 0.00 -0.79 0.62 0.00 -0.00 0.00 0.00 39.34 39.16 2kzn n TYR 134 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2kzn h GLU 135 N 0.00 0.00 0.03 -3.48 4.81 -1.94 0.39 114.58 114.39 2kzn h GLU 135 Ca 0.43 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.43 2kzn h GLU 135 Cb 1.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2kzn h GLU 135 CO -0.26 0.17 -1.22 0.77 -0.73 0.00 0.00 179.01 177.73 2kzn h SER 136 N 0.00 0.11 0.12 1.04 0.02 -1.49 -3.38 113.55 109.97 2kzn h SER 136 Ca -0.00 -0.68 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 2kzn h SER 136 Cb 0.51 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2kzn h SER 136 CO 0.02 1.50 -0.06 1.88 -1.14 0.00 0.00 176.83 179.04 2kzn h TYR 137 N -0.76 -0.14 0.00 3.45 0.05 -1.27 -3.36 116.97 114.94 2kzn h TYR 137 Ca -0.31 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.46 2kzn h TYR 137 Cb 1.43 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.22 2kzn h TYR 137 CO 0.12 -0.09 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.06 2kzn h LEU 138 N -0.69 0.00 -1.16 3.88 4.07 -0.50 -0.79 115.31 120.11 2kzn h LEU 138 Ca -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 2kzn h LEU 138 Cb 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2kzn h LEU 138 CO 0.03 0.01 0.03 -0.74 -1.08 0.00 0.00 178.44 176.69 2kzn h HIS 139 N 0.00 0.63 0.00 1.13 2.76 -1.71 0.11 115.15 118.07 2kzn h HIS 139 Ca -0.00 -0.06 -0.22 0.00 -2.20 0.00 0.00 60.37 57.89 2kzn h HIS 139 Cb 0.17 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 2kzn h HIS 139 CO 0.00 0.59 -1.55 1.28 -1.30 0.00 0.00 177.93 176.95 2kzn n LEU 140 N -4.28 0.85 -0.02 0.26 4.77 -0.40 -3.78 117.00 114.40 2kzn n LEU 140 Ca 0.02 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 2kzn n LEU 140 Cb 0.24 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2kzn n LEU 140 CO 0.39 0.24 0.36 0.15 -1.33 0.00 0.00 177.39 177.21 2kzn h PHE 141 N 0.00 0.94 -1.30 -1.77 3.57 -1.22 -3.46 116.94 113.69 2kzn h PHE 141 Ca -0.22 -0.38 0.11 0.00 3.53 0.00 0.00 57.97 61.02 2kzn h PHE 141 Cb 1.76 -0.16 -0.21 0.00 2.79 0.00 0.00 35.95 40.13 2kzn h PHE 141 CO 0.00 1.18 -0.11 1.21 -2.23 0.00 0.00 178.31 178.36 2kzn s ASN 142 N -7.01 -1.10 0.26 0.41 3.04 0.36 -4.95 114.94 105.94 2kzn s ASN 142 Ca -0.09 1.07 0.01 0.00 0.04 0.00 0.00 52.86 53.89 2kzn s ASN 142 Cb 0.10 2.08 -0.05 0.00 -1.54 0.00 0.00 41.25 41.84 2kzn s ASN 142 CO 0.88 -0.21 0.12 -1.59 -3.04 0.00 0.00 177.10 173.26 2kzn s LYS 143 N 2.83 1.41 -0.14 0.43 -2.85 -1.25 -4.19 119.74 115.98 2kzn s LYS 143 Ca 0.06 -1.77 -0.19 0.00 -1.00 0.00 0.00 55.97 53.07 2kzn s LYS 143 Cb -0.12 -0.13 0.05 0.00 -2.06 0.00 0.00 37.83 35.57 2kzn s LYS 143 CO -0.19 -0.35 0.49 -0.48 0.10 0.00 0.00 175.35 174.93 2kzn s LEU 144 N -3.30 0.13 -0.57 2.77 2.34 -1.26 -5.12 118.68 113.67 2kzn s LEU 144 Ca 0.38 0.82 0.04 0.00 0.06 0.00 0.00 54.13 55.43 2kzn s LEU 144 Cb 0.07 1.74 0.17 0.00 -0.56 0.00 0.00 46.19 47.61 2kzn s LEU 144 CO 0.14 -0.27 0.41 -1.61 -1.06 0.00 0.00 176.35 173.96 2kzn s GLU 145 N -0.18 1.78 -0.61 1.48 2.02 -1.26 -5.08 118.70 116.84 2kzn s GLU 145 Ca -0.04 -2.77 -0.27 0.00 0.02 0.00 0.00 54.97 51.91 2kzn s GLU 145 Cb -0.03 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2kzn s GLU 145 CO 0.02 -1.31 1.45 -1.58 0.02 0.00 0.00 175.26 173.86 2kzn s HIS 146 N -0.73 2.19 -2.71 1.61 2.46 -1.26 -5.40 115.29 111.44 2kzn s HIS 146 Ca 0.27 0.38 0.26 0.00 0.47 0.00 0.00 55.06 56.45 2kzn s HIS 146 Cb -0.03 -4.41 0.68 0.00 -0.13 0.00 0.00 32.58 28.69 2kzn s HIS 146 CO -0.16 -2.06 1.54 1.58 -2.47 0.00 0.00 174.74 173.17