#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 3.55 -1.04 3.17 0.00 -1.26 -4.96 121.76 121.22 2kzn s ALA 2 Ca 0.00 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 2kzn s ALA 2 Cb 0.00 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.66 2kzn s ALA 2 CO 0.00 -0.76 1.37 0.71 0.00 0.00 0.00 175.76 177.08 2kzn s TYR 3 N 1.88 2.86 0.71 0.00 2.02 -1.26 -4.90 117.35 118.66 2kzn s TYR 3 Ca 0.63 -1.26 -0.09 0.00 -0.37 0.00 0.00 57.07 55.98 2kzn s TYR 3 Cb -0.32 -4.53 0.04 0.00 -0.40 0.00 0.00 41.96 36.76 2kzn s TYR 3 CO 0.27 -1.71 1.05 -0.80 -1.57 0.00 0.00 175.55 172.79 2kzn s ASN 4 N 4.21 5.05 0.20 2.29 -0.87 -1.26 -4.88 114.94 119.68 2kzn s ASN 4 Ca 0.42 0.74 -0.11 0.00 -1.57 0.00 0.00 52.86 52.35 2kzn s ASN 4 Cb -0.01 -1.46 0.17 0.00 -0.02 0.00 0.00 41.25 39.92 2kzn s ASN 4 CO -0.07 -1.50 1.83 0.11 -2.57 0.00 0.00 177.10 174.91 2kzn h LYS 5 N -0.63 0.75 -0.21 -0.60 1.57 -1.99 0.09 116.57 115.54 2kzn h LYS 5 Ca -0.45 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2kzn h LYS 5 Cb 1.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2kzn h LYS 5 CO 0.63 0.50 -0.02 0.93 -0.57 0.00 0.00 179.45 180.91 2kzn h GLU 6 N 0.77 0.39 -0.51 3.15 4.39 -1.98 -0.49 114.58 120.29 2kzn h GLU 6 Ca 0.26 -0.13 0.15 0.00 0.34 0.00 0.00 59.36 59.98 2kzn h GLU 6 Cb 0.03 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2kzn h GLU 6 CO -0.11 0.60 0.38 1.49 -1.16 0.00 0.00 179.01 180.21 2kzn h GLU 7 N 0.13 0.00 0.00 2.33 4.57 -1.80 -0.64 114.58 119.17 2kzn h GLU 7 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2kzn h GLU 7 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2kzn h GLU 7 CO 0.01 0.00 -0.00 0.87 -1.18 0.00 0.00 179.01 178.71 2kzn h LYS 8 N 0.00 -0.00 -1.00 1.92 1.79 -0.72 -3.34 116.57 115.22 2kzn h LYS 8 Ca 0.24 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.72 2kzn h LYS 8 Cb 1.01 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.61 2kzn h LYS 8 CO -0.00 0.95 0.66 0.82 -1.08 0.00 0.00 179.45 180.80 2kzn h ILE 9 N -1.00 1.26 0.84 1.86 1.08 -0.17 -0.53 117.51 120.85 2kzn h ILE 9 Ca -0.00 -0.46 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2kzn h ILE 9 Cb 0.95 -0.21 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2kzn h ILE 9 CO 0.00 0.25 -0.40 0.11 -0.69 0.00 0.00 178.15 177.41 2kzn h LYS 10 N 1.35 -1.08 0.24 2.37 1.79 -1.33 -0.03 116.57 119.88 2kzn h LYS 10 Ca 0.36 0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.92 2kzn h LYS 10 Cb -0.16 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2kzn h LYS 10 CO -0.08 -0.72 -0.32 1.03 -1.08 0.00 0.00 179.45 178.28 2kzn h SER 11 N -1.19 -0.90 -0.50 0.86 0.87 -1.66 -2.89 113.55 108.14 2kzn h SER 11 Ca -0.12 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 2kzn h SER 11 Cb 0.87 0.32 -0.10 0.00 -0.44 0.00 0.00 62.40 63.05 2kzn h SER 11 CO 0.19 -0.44 -0.30 0.25 -0.53 0.00 0.00 176.83 176.00 2kzn h LEU 12 N -0.62 -1.02 -1.08 2.23 5.85 -1.09 -2.21 115.31 117.37 2kzn h LEU 12 Ca 0.00 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2kzn h LEU 12 Cb 0.60 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kzn h LEU 12 CO -0.11 -0.29 -0.24 0.78 -0.34 0.00 0.00 178.44 178.24 2kzn h ASN 13 N -0.18 0.36 0.22 1.25 -0.26 -0.90 -0.28 115.58 115.80 2kzn h ASN 13 Ca 0.21 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.73 2kzn h ASN 13 Cb 0.53 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2kzn h ASN 13 CO -0.60 0.61 -0.43 0.03 -1.06 0.00 0.00 177.43 175.98 2kzn h ARG 14 N 0.33 0.27 0.46 0.81 2.47 -1.26 -1.61 114.38 115.85 2kzn h ARG 14 Ca 0.05 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2kzn h ARG 14 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2kzn h ARG 14 CO 0.04 0.65 -0.22 0.52 0.56 0.00 0.00 179.97 181.52 2kzn h MET 15 N 0.22 -0.59 -0.54 0.04 2.86 -0.68 -2.75 114.93 113.49 2kzn h MET 15 Ca 0.02 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2kzn h MET 15 Cb 0.85 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 2kzn h MET 15 CO 0.07 -0.30 0.22 1.96 1.06 0.00 0.00 176.91 179.92 2kzn h GLN 16 N -1.05 0.41 0.13 1.72 4.20 -1.11 0.53 115.11 119.95 2kzn h GLN 16 Ca -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2kzn h GLN 16 Cb 0.56 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2kzn h GLN 16 CO 0.10 0.27 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.55 2kzn h TYR 17 N 0.42 -0.16 -0.37 2.96 5.03 -1.41 -1.09 116.97 122.37 2kzn h TYR 17 Ca 0.26 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.47 2kzn h TYR 17 Cb 0.26 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.57 2kzn h TYR 17 CO -0.14 -0.06 -0.16 1.49 -1.32 0.00 0.00 178.16 177.97 2kzn h GLU 18 N -0.22 0.67 0.62 1.82 4.81 -1.12 -2.08 114.58 119.08 2kzn h GLU 18 Ca -0.02 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2kzn h GLU 18 Cb 0.17 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.51 2kzn h GLU 18 CO 0.03 0.80 -0.30 0.28 -0.73 0.00 0.00 179.01 179.09 2kzn h VAL 19 N 0.60 0.00 0.00 0.32 2.07 -0.74 -3.09 116.25 115.42 2kzn h VAL 19 Ca 0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2kzn h VAL 19 Cb 0.62 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2kzn h VAL 19 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2kzn h THR 20 N -1.00 0.00 -0.11 2.57 1.03 -1.25 0.27 112.91 114.42 2kzn h THR 20 Ca -0.09 -0.14 -0.09 0.00 -0.01 0.00 0.00 66.41 66.08 2kzn h THR 20 Cb 0.64 0.79 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 2kzn h THR 20 CO 0.14 0.00 -0.35 -0.61 -0.01 0.00 0.00 175.52 174.69 2kzn h GLN 21 N 0.00 0.21 0.00 0.00 4.15 -1.28 -3.28 115.11 114.91 2kzn h GLN 21 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2kzn h GLN 21 Cb 0.21 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2kzn h GLN 21 CO 0.00 0.54 0.00 -1.71 -1.93 0.00 0.00 178.83 175.73 2kzn n ASN 22 N -4.08 0.45 -2.90 -0.69 5.15 -0.88 -5.00 115.26 107.31 2kzn n ASN 22 Ca -0.01 -0.72 -0.21 0.00 -0.60 0.00 0.00 54.58 53.03 2kzn n ASN 22 Cb 0.43 0.50 0.04 0.00 -0.53 0.00 0.00 39.78 40.22 2kzn n ASN 22 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2kzn n ASN 23 N -0.50 -5.89 -3.27 1.20 5.15 0.72 -5.04 115.26 107.64 2kzn n ASN 23 Ca 0.00 -0.30 -0.20 0.00 -0.60 0.00 0.00 54.58 53.48 2kzn n ASN 23 Cb 0.01 -4.68 0.15 0.00 -0.53 0.00 0.00 39.78 34.72 2kzn n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kzn n GLY 24 N -1.54 -1.70 3.12 8.20 0.00 0.02 -4.97 105.19 108.33 2kzn n GLY 24 Ca -0.09 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2kzn n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kzn s THR 25 N -2.82 0.09 0.58 2.61 -1.32 -1.26 -4.71 115.64 108.81 2kzn s THR 25 Ca 0.50 -0.75 -0.18 0.00 -1.21 0.00 0.00 61.69 60.06 2kzn s THR 25 Cb -0.02 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 2kzn s THR 25 CO 0.36 -0.41 1.10 -1.61 -2.21 0.00 0.00 174.62 171.84 2kzn s GLU 26 N -1.64 3.25 0.67 7.08 2.02 -1.26 -5.04 118.70 123.78 2kzn s GLU 26 Ca -0.13 1.43 -0.17 0.00 0.02 0.00 0.00 54.97 56.12 2kzn s GLU 26 Cb -0.06 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 2kzn s GLU 26 CO 0.00 -0.90 1.06 -0.35 0.02 0.00 0.00 175.26 175.10 2kzn n PRO 27 N -1.72 0.78 -1.77 0.39 -0.04 -1.26 -4.84 135.00 126.54 2kzn n PRO 27 Ca 0.10 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 2kzn n PRO 27 Cb 0.52 -2.30 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 2kzn n PRO 27 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kzn n PRO 28 N -1.66 1.31 -2.94 0.54 -0.04 -1.26 -4.92 135.00 126.03 2kzn n PRO 28 Ca 0.14 -2.19 -0.31 0.00 -0.04 0.00 0.00 63.50 61.10 2kzn n PRO 28 Cb 0.48 -3.57 -0.04 0.00 -0.04 0.00 0.00 33.50 30.34 2kzn n PRO 28 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kzn s PHE 29 N 10.73 3.44 -0.78 0.54 5.36 -1.26 -4.96 117.98 131.04 2kzn s PHE 29 Ca 0.68 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.69 2kzn s PHE 29 Cb 0.02 -2.49 -0.07 0.00 -0.34 0.00 0.00 43.02 40.15 2kzn s PHE 29 CO 0.15 -0.05 1.96 0.00 -1.46 0.00 0.00 175.22 175.82 2kzn n GLN 30 N -0.98 1.74 -1.28 10.12 10.64 -1.26 -4.89 117.38 131.47 2kzn n GLN 30 Ca 0.03 -1.42 -0.15 0.00 -1.83 0.00 0.00 57.00 53.63 2kzn n GLN 30 Cb 0.54 -2.48 0.10 0.00 -0.86 0.00 0.00 30.24 27.53 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 4.90 0.30 0.00 2.61 3.02 -1.26 -4.94 115.26 119.89 2kzn n ASN 31 Ca 0.41 -1.40 0.08 0.00 -0.03 0.00 0.00 54.58 53.64 2kzn n ASN 31 Cb 0.17 -0.49 0.47 0.00 -0.61 0.00 0.00 39.78 39.32 2kzn n ASN 31 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kzn n GLU 32 N -2.36 0.45 0.00 3.52 4.07 -1.26 -2.42 120.64 122.64 2kzn n GLU 32 Ca 0.09 0.03 0.11 0.00 -0.06 0.00 0.00 57.16 57.34 2kzn n GLU 32 Cb 0.32 -1.50 0.13 0.00 -0.06 0.00 0.00 31.44 30.33 2kzn n GLU 32 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2kzn n TYR 33 N -1.07 0.00 0.21 4.31 4.11 -1.26 -4.41 117.16 119.05 2kzn n TYR 33 Ca 0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.12 2kzn n TYR 33 Cb 0.07 -0.13 0.30 0.00 -0.00 0.00 0.00 39.34 39.58 2kzn n TYR 33 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.86 175.37 2kzn h TRP 34 N 0.32 0.00 -0.12 -3.48 4.06 -1.84 -2.67 115.95 112.22 2kzn h TRP 34 Ca 0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 2kzn h TRP 34 Cb 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 2kzn h TRP 34 CO 0.00 0.15 -0.59 0.38 -3.56 0.00 0.00 178.44 174.82 2kzn h ASP 35 N 0.00 0.46 -0.63 -3.49 3.04 -1.81 -3.47 116.42 110.51 2kzn h ASP 35 Ca -0.00 -0.26 -0.27 0.00 -3.24 0.00 0.00 57.03 53.26 2kzn h ASP 35 Cb 0.94 -0.13 -0.11 0.00 -1.04 0.00 0.00 39.33 38.99 2kzn h ASP 35 CO 0.02 0.94 -0.24 1.57 -2.04 0.00 0.00 179.24 179.49 2kzn n HIS 36 N -3.91 0.00 -0.58 4.15 -0.00 -1.01 -4.84 115.22 109.03 2kzn n HIS 36 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.72 2kzn n HIS 36 Cb 0.62 -2.58 0.32 0.00 -0.00 0.00 0.00 29.99 28.35 2kzn n HIS 36 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2kzn n LYS 37 N -2.04 4.01 -2.43 1.57 4.76 -1.26 -4.96 118.16 117.80 2kzn n LYS 37 Ca -0.13 -2.58 -0.39 0.00 -2.87 0.00 0.00 58.31 52.34 2kzn n LYS 37 Cb 0.51 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.54 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kzn s GLU 38 N -2.47 3.22 0.14 1.97 2.02 -1.26 -4.99 118.70 117.33 2kzn s GLU 38 Ca 0.45 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.90 2kzn s GLU 38 Cb 0.35 -4.85 -0.04 0.00 0.10 0.00 0.00 34.13 29.69 2kzn s GLU 38 CO 0.13 -2.41 0.28 -1.83 0.02 0.00 0.00 175.26 171.45 2kzn s GLU 39 N 5.71 3.44 0.00 1.61 4.04 -1.26 -4.83 118.70 127.41 2kzn s GLU 39 Ca 0.48 -0.56 0.00 0.00 0.04 0.00 0.00 54.97 54.93 2kzn s GLU 39 Cb -0.05 -2.97 0.00 0.00 0.02 0.00 0.00 34.13 31.13 2kzn s GLU 39 CO 0.02 0.53 0.00 0.41 -1.84 0.00 0.00 175.26 174.38 2kzn n GLY 40 N -0.44 0.56 3.78 -3.83 0.00 -1.26 -3.80 105.19 100.21 2kzn n GLY 40 Ca -0.07 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 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 4.30 -0.39 0.99 1.43 -0.63 -1.84 118.68 122.54 2kzn s LEU 41 Ca 0.00 0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 53.36 2kzn s LEU 41 Cb 0.00 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2kzn s LEU 41 CO 0.00 0.23 0.77 -0.31 0.23 0.00 0.00 176.35 177.27 2kzn s TYR 42 N -0.14 3.07 0.13 0.29 1.51 0.01 -0.40 117.35 121.82 2kzn s TYR 42 Ca 0.15 0.41 0.09 0.00 -1.01 0.00 0.00 57.07 56.71 2kzn s TYR 42 Cb -0.13 -3.47 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 2kzn s TYR 42 CO 0.04 -0.81 -0.21 0.14 -1.11 0.00 0.00 175.55 173.59 2kzn s VAL 43 N 3.13 1.88 -0.47 0.71 -7.23 -0.58 -1.57 120.40 116.28 2kzn s VAL 43 Ca 0.30 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.47 2kzn s VAL 43 Cb -0.13 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.09 2kzn s VAL 43 CO 0.19 -0.11 1.09 -0.62 -0.31 0.00 0.00 175.10 175.33 2kzn s ASP 44 N -2.20 6.61 0.36 4.85 -1.08 -1.05 -2.05 116.67 122.10 2kzn s ASP 44 Ca 0.11 0.41 0.24 0.00 -0.52 0.00 0.00 52.55 52.79 2kzn s ASP 44 Cb -0.09 -2.53 1.30 0.00 -1.46 0.00 0.00 42.92 40.15 2kzn s ASP 44 CO 0.06 -1.20 1.73 0.40 0.52 0.00 0.00 175.17 176.68 2kzn h ILE 45 N 6.18 0.00 -0.63 4.11 2.04 -1.71 -1.04 117.51 126.47 2kzn h ILE 45 Ca -0.23 -0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.81 2kzn h ILE 45 Cb 1.06 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2kzn h ILE 45 CO 1.10 0.00 0.46 -0.37 0.00 0.00 0.00 178.15 179.34 2kzn h VAL 46 N 0.00 0.67 0.00 1.67 -1.51 -1.91 -3.37 116.25 111.80 2kzn h VAL 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kzn h VAL 46 Cb 0.00 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 2kzn h VAL 46 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 174.80 2kzn n SER 47 N -4.33 0.00 0.00 4.19 3.41 -1.03 -5.07 113.62 110.79 2kzn n SER 47 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2kzn n SER 47 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.40 1.11 3.65 5.00 0.00 -0.42 -5.08 105.19 109.85 2kzn n GLY 48 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 4.19 0.01 1.61 -0.14 -1.23 -4.86 119.74 119.21 2kzn s LYS 49 Ca 0.00 1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 55.51 2kzn s LYS 49 Cb 0.00 -3.67 -0.08 0.00 -1.68 0.00 0.00 37.83 32.40 2kzn s LYS 49 CO 0.00 -0.69 1.90 -2.14 -0.76 0.00 0.00 175.35 173.66 2kzn s PRO 50 N 3.27 4.12 -0.15 -1.68 0.02 -1.26 -2.52 135.00 136.80 2kzn s PRO 50 Ca 0.43 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2kzn s PRO 50 Cb -0.14 -4.13 -0.09 0.00 0.02 0.00 0.00 34.50 30.16 2kzn s PRO 50 CO 0.09 -0.96 -0.14 1.28 -0.33 0.00 0.00 177.00 176.94 2kzn n LEU 51 N 7.56 2.82 -3.82 -5.54 4.77 -0.61 -4.81 117.00 117.39 2kzn n LEU 51 Ca 0.20 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2kzn n LEU 51 Cb 0.42 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2kzn n LEU 51 CO 0.67 0.71 0.68 0.72 -1.33 0.00 0.00 177.39 178.84 2kzn s PHE 52 N -2.29 -0.02 0.14 -1.77 -0.12 -1.00 -0.20 117.98 112.72 2kzn s PHE 52 Ca -0.20 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.34 2kzn s PHE 52 Cb 0.05 0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 43.11 2kzn s PHE 52 CO 0.33 -1.06 -0.02 -0.08 -0.05 0.00 0.00 175.22 174.35 2kzn s THR 53 N -2.81 3.74 0.15 -4.49 -1.32 -1.26 -0.81 115.64 108.84 2kzn s THR 53 Ca 0.16 -1.27 0.22 0.00 -1.21 0.00 0.00 61.69 59.59 2kzn s THR 53 Cb -0.03 -2.83 0.20 0.00 -1.51 0.00 0.00 72.50 68.34 2kzn s THR 53 CO 0.06 -0.00 1.80 0.77 -2.21 0.00 0.00 174.62 175.04 2kzn h SER 54 N 3.08 0.00 -0.02 8.08 4.64 -1.69 -2.74 113.55 124.91 2kzn h SER 54 Ca -0.48 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2kzn h SER 54 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kzn h SER 54 CO 0.57 0.27 0.02 0.50 -0.87 0.00 0.00 176.83 177.32 2kzn h LYS 55 N 0.00 0.00 0.00 4.77 1.63 -1.81 -1.72 116.57 119.43 2kzn h LYS 55 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kzn h LYS 55 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2kzn h LYS 55 CO 0.03 0.00 -0.16 -3.47 -3.45 0.00 0.00 179.45 172.41 2kzn n ASP 56 N -3.93 1.50 -4.74 4.20 2.03 -1.22 -5.07 116.55 109.33 2kzn n ASP 56 Ca -0.03 -2.61 -0.41 0.00 0.52 0.00 0.00 54.79 52.27 2kzn n ASP 56 Cb 0.11 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kzn s LYS 57 N -1.75 4.75 -0.04 -0.67 2.20 -0.65 -4.95 119.74 118.62 2kzn s LYS 57 Ca 0.19 1.47 0.02 0.00 -0.36 0.00 0.00 55.97 57.28 2kzn s LYS 57 Cb 0.16 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2kzn s LYS 57 CO 0.02 0.30 -0.07 0.12 -0.36 0.00 0.00 175.35 175.37 2kzn s PHE 58 N -0.38 0.90 -0.26 4.03 5.36 -1.26 -4.99 117.98 121.37 2kzn s PHE 58 Ca 0.45 -0.27 -0.25 0.00 -0.96 0.00 0.00 56.93 55.90 2kzn s PHE 58 Cb -0.24 -0.73 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 2kzn s PHE 58 CO 0.31 -0.19 0.88 0.16 -1.46 0.00 0.00 175.22 174.92 2kzn s ASP 59 N 0.72 6.85 0.59 6.13 -4.77 -1.26 -4.47 116.67 120.46 2kzn s ASP 59 Ca -0.11 1.01 -0.12 0.00 -3.30 0.00 0.00 52.55 50.03 2kzn s ASP 59 Cb -0.14 -2.46 -0.05 0.00 -1.09 0.00 0.00 42.92 39.19 2kzn s ASP 59 CO 0.01 -0.60 1.01 -0.94 0.70 0.00 0.00 175.17 175.35 2kzn s SER 60 N 1.41 6.33 0.36 2.11 1.04 -1.26 -4.97 113.70 118.73 2kzn s SER 60 Ca 0.37 1.44 0.27 0.00 0.48 0.00 0.00 55.95 58.51 2kzn s SER 60 Cb -0.15 -2.47 1.18 0.00 0.10 0.00 0.00 66.02 64.68 2kzn s SER 60 CO 0.09 -0.79 1.81 -0.61 0.98 0.00 0.00 173.24 174.72 2kzn h GLN 61 N 0.00 0.00 0.00 4.02 4.15 -1.96 -2.63 115.11 118.69 2kzn h GLN 61 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2kzn h GLN 61 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2kzn h GLN 61 CO 0.62 0.00 0.01 0.00 -1.93 0.00 0.00 178.83 177.53 2kzn n GLY 63 N -1.15 2.52 3.65 0.00 0.00 -0.99 -4.97 105.19 104.25 2kzn n GLY 63 Ca -0.03 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.01 2.39 -0.21 1.61 0.51 -1.26 -4.79 118.94 117.18 2kzn s TRP 64 Ca 0.00 0.62 -0.28 0.00 -2.12 0.00 0.00 56.10 54.31 2kzn s TRP 64 Cb 0.00 -3.77 -0.05 0.00 -0.81 0.00 0.00 33.47 28.85 2kzn s TRP 64 CO 0.00 -2.71 2.07 -2.14 -0.51 0.00 0.00 176.95 173.67 2kzn s PRO 65 N 3.95 3.34 -0.15 4.98 0.02 -1.13 -4.49 135.00 141.52 2kzn s PRO 65 Ca 0.65 1.97 -0.05 0.00 0.02 0.00 0.00 61.00 63.59 2kzn s PRO 65 Cb -0.26 -4.29 -0.04 0.00 0.02 0.00 0.00 34.50 29.93 2kzn s PRO 65 CO 0.23 -1.87 0.03 -1.54 -0.33 0.00 0.00 177.00 173.52 2kzn s SER 66 N 7.15 5.37 0.04 2.53 1.04 -1.26 -2.89 113.70 125.68 2kzn s SER 66 Ca 0.93 0.07 0.06 0.00 0.48 0.00 0.00 55.95 57.50 2kzn s SER 66 Cb -0.32 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 2kzn s SER 66 CO 0.35 0.24 -0.16 0.12 0.98 0.00 0.00 173.24 174.78 2kzn s PHE 67 N -0.07 2.62 0.47 5.02 2.19 -0.75 -4.67 117.98 122.79 2kzn s PHE 67 Ca 0.05 -0.22 0.17 0.00 0.33 0.00 0.00 56.93 57.26 2kzn s PHE 67 Cb -0.12 -1.48 1.15 0.00 -1.31 0.00 0.00 43.02 41.26 2kzn s PHE 67 CO 0.02 0.28 2.05 0.00 1.83 0.00 0.00 175.22 179.40 2kzn h THR 68 N 3.88 1.01 0.00 0.12 1.03 -1.85 -1.06 112.91 116.04 2kzn h THR 68 Ca -0.48 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2kzn h THR 68 Cb 1.16 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2kzn h THR 68 CO 0.49 0.12 0.00 1.17 -0.01 0.00 0.00 175.52 177.29 2kzn n LYS 69 N -4.28 0.00 -0.32 0.00 4.81 -1.26 -4.63 118.16 112.47 2kzn n LYS 69 Ca -0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.13 2kzn n LYS 69 Cb 0.20 0.00 0.27 0.00 0.02 0.00 0.00 35.03 35.52 2kzn n LYS 69 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kzn n PRO 70 N 0.00 -4.05 -1.52 1.64 -0.02 -1.26 -4.87 135.00 124.91 2kzn n PRO 70 Ca 0.00 -1.20 -0.39 0.00 -2.02 0.00 0.00 63.50 59.89 2kzn n PRO 70 Cb 0.00 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2kzn n PRO 70 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kzn n ILE 71 N -5.48 -0.04 0.43 4.25 5.41 0.73 -4.80 119.36 119.87 2kzn n ILE 71 Ca 0.10 -0.44 0.13 0.00 1.00 0.00 0.00 62.75 63.54 2kzn n ILE 71 Cb 0.56 -1.79 0.48 0.00 -0.71 0.00 0.00 39.64 38.18 2kzn n ILE 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2kzn h GLU 72 N 16.08 0.00 -0.32 0.38 4.11 -1.88 -1.43 114.58 131.52 2kzn h GLU 72 Ca -0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.09 2kzn h GLU 72 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kzn h GLU 72 CO 1.25 0.00 -0.47 1.49 0.07 0.00 0.00 179.01 181.34 2kzn h GLU 73 N 0.00 0.89 0.00 1.06 4.81 -1.98 -3.30 114.58 116.06 2kzn h GLU 73 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2kzn h GLU 73 Cb 0.47 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2kzn h GLU 73 CO 0.00 1.17 -1.58 -1.91 -0.73 0.00 0.00 179.01 175.96 2kzn n GLU 74 N -4.05 0.48 -4.31 1.92 4.07 -1.00 -4.93 120.64 112.84 2kzn n GLU 74 Ca -0.04 -0.10 -0.34 0.00 -0.06 0.00 0.00 57.16 56.62 2kzn n GLU 74 Cb 0.59 -1.56 -0.11 0.00 -0.06 0.00 0.00 31.44 30.30 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 -3.37 4.20 -0.10 6.31 1.01 -0.57 -4.89 120.40 122.98 2kzn s VAL 75 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2kzn s VAL 75 Cb 0.14 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2kzn s VAL 75 CO 0.88 0.51 -0.05 -1.61 0.00 0.00 0.00 175.10 174.83 2kzn s GLU 76 N 0.05 1.24 0.15 2.72 0.41 -1.26 -4.58 118.70 117.43 2kzn s GLU 76 Ca 0.02 -0.15 -0.19 0.00 -0.41 0.00 0.00 54.97 54.23 2kzn s GLU 76 Cb -0.13 -1.42 -0.07 0.00 -1.78 0.00 0.00 34.13 30.72 2kzn s GLU 76 CO 0.02 -0.29 0.64 -1.83 -0.49 0.00 0.00 175.26 173.31 2kzn s GLU 77 N 1.79 4.22 -0.10 1.61 1.03 -1.26 -1.04 118.70 124.95 2kzn s GLU 77 Ca 0.05 0.78 -0.03 0.00 0.03 0.00 0.00 54.97 55.80 2kzn s GLU 77 Cb -0.13 -3.07 0.04 0.00 -0.80 0.00 0.00 34.13 30.18 2kzn s GLU 77 CO -0.07 0.52 0.05 0.15 -1.33 0.00 0.00 175.26 174.58 2kzn s LYS 78 N -1.56 0.20 0.33 -4.83 -0.14 0.25 -4.91 119.74 109.08 2kzn s LYS 78 Ca 0.36 0.12 -0.27 0.00 -1.36 0.00 0.00 55.97 54.82 2kzn s LYS 78 Cb -0.18 -1.11 -0.09 0.00 -1.68 0.00 0.00 37.83 34.76 2kzn s LYS 78 CO 0.21 -0.44 1.04 -1.17 -0.76 0.00 0.00 175.35 174.22 2kzn s LEU 79 N 2.08 4.37 0.08 3.17 2.96 -1.26 -1.39 118.68 128.69 2kzn s LEU 79 Ca 0.04 2.07 -0.06 0.00 -0.22 0.00 0.00 54.13 55.96 2kzn s LEU 79 Cb -0.14 -3.90 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 2kzn s LEU 79 CO -0.06 -0.23 0.12 -1.81 -1.32 0.00 0.00 176.35 173.05 2kzn s ASP 80 N -1.30 0.25 -0.24 3.68 1.01 0.74 -4.97 116.67 115.84 2kzn s ASP 80 Ca 0.50 -0.80 -0.10 0.00 0.71 0.00 0.00 52.55 52.86 2kzn s ASP 80 Cb -0.25 0.30 0.10 0.00 1.01 0.00 0.00 42.92 44.07 2kzn s ASP 80 CO 0.32 -0.70 0.54 0.28 0.21 0.00 0.00 175.17 175.83 2kzn s THR 81 N -3.89 -0.53 -0.09 -1.27 -1.32 -1.26 -2.01 115.64 105.25 2kzn s THR 81 Ca 0.07 0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.62 2kzn s THR 81 Cb 0.06 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.22 2kzn s THR 81 CO -0.10 0.03 -0.00 0.77 -2.21 0.00 0.00 174.62 173.11 2kzn h SER 82 N 7.72 0.00 -0.65 8.08 4.64 -1.96 -3.47 113.55 127.92 2kzn h SER 82 Ca -0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 2kzn h SER 82 Cb 1.14 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 2kzn h SER 82 CO 0.15 0.47 -0.32 -1.38 -0.87 0.00 0.00 176.83 174.87 2kzn s HIS 83 N -1.52 -1.07 0.00 4.77 -3.43 -1.26 -4.94 115.29 107.84 2kzn s HIS 83 Ca -0.00 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2kzn s HIS 83 Cb 0.00 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 2kzn s HIS 83 CO 0.00 -0.81 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 2kzn n GLY 84 N 3.10 2.87 3.73 -1.38 0.00 -1.26 -4.99 105.19 107.25 2kzn n GLY 84 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.13 4.69 -0.05 1.61 1.00 -1.26 -5.06 119.30 120.10 2kzn s MET 85 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 55.69 57.14 2kzn s MET 85 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 34.83 31.44 2kzn s MET 85 CO 0.00 0.25 -0.13 0.42 0.00 0.00 0.00 175.02 175.56 2kzn s ILE 86 N -0.11 3.21 -0.26 2.53 -1.09 -1.26 -2.99 121.20 121.22 2kzn s ILE 86 Ca 0.46 -0.69 -0.20 0.00 -2.23 0.00 0.00 60.65 57.98 2kzn s ILE 86 Cb -0.23 -2.28 0.07 0.00 -1.58 0.00 0.00 42.46 38.44 2kzn s ILE 86 CO 0.29 0.57 0.67 0.00 -1.23 0.00 0.00 174.94 175.25 2kzn s ARG 87 N -0.81 0.74 -0.12 2.79 1.70 -0.85 -5.02 118.95 117.38 2kzn s ARG 87 Ca 0.12 1.07 0.03 0.00 -0.47 0.00 0.00 55.73 56.48 2kzn s ARG 87 Cb -0.11 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2kzn s ARG 87 CO 0.01 -0.12 -0.21 -0.08 -1.08 0.00 0.00 175.30 173.82 2kzn s THR 88 N 0.98 1.94 -0.04 4.99 -1.32 -1.25 -0.18 115.64 120.76 2kzn s THR 88 Ca -0.05 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 59.57 2kzn s THR 88 Cb -0.05 -1.71 -0.01 0.00 -1.51 0.00 0.00 72.50 69.22 2kzn s THR 88 CO -0.09 0.53 -0.22 -1.61 -2.21 0.00 0.00 174.62 171.02 2kzn s GLU 89 N 0.66 2.12 -0.34 7.08 2.02 -0.49 -0.62 118.70 129.14 2kzn s GLU 89 Ca -0.12 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 2kzn s GLU 89 Cb -0.16 -1.88 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 2kzn s GLU 89 CO 0.02 0.38 0.62 0.14 0.02 0.00 0.00 175.26 176.44 2kzn s VAL 90 N -0.23 4.92 -0.29 2.63 -7.23 -0.35 -0.58 120.40 119.27 2kzn s VAL 90 Ca 0.00 0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 2kzn s VAL 90 Cb -0.11 -4.03 0.13 0.00 0.56 0.00 0.00 36.38 32.92 2kzn s VAL 90 CO 0.02 -0.24 0.92 0.00 -0.31 0.00 0.00 175.10 175.50 2kzn s ARG 91 N 2.64 0.45 0.83 4.82 1.70 -0.21 -1.83 118.95 127.35 2kzn s ARG 91 Ca 0.24 0.76 -0.12 0.00 -0.47 0.00 0.00 55.73 56.14 2kzn s ARG 91 Cb -0.15 0.10 0.10 0.00 -0.57 0.00 0.00 34.95 34.43 2kzn s ARG 91 CO 0.13 -0.09 1.20 0.45 -1.08 0.00 0.00 175.30 175.91 2kzn s SER 92 N 1.34 4.23 -0.12 -2.89 0.15 -1.13 -4.66 113.70 110.62 2kzn s SER 92 Ca -0.09 0.63 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 2kzn s SER 92 Cb -0.04 -1.04 -0.26 0.00 -1.71 0.00 0.00 66.02 62.97 2kzn s SER 92 CO -0.15 -2.06 0.39 -0.09 1.20 0.00 0.00 173.24 172.53 2kzn h ARG 93 N -1.14 0.24 0.00 5.44 2.43 -1.98 -3.08 114.38 116.29 2kzn h ARG 93 Ca -0.45 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.31 2kzn h ARG 93 Cb 1.31 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2kzn h ARG 93 CO 0.59 1.20 -0.06 1.15 -1.51 0.00 0.00 179.97 181.34 2kzn h THR 94 N -0.11 0.00 0.00 0.20 2.02 -2.02 -3.45 112.91 109.54 2kzn h THR 94 Ca -0.40 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2kzn h THR 94 Cb 1.91 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2kzn h THR 94 CO 0.05 0.00 -1.21 0.00 0.37 0.00 0.00 175.52 174.73 2kzn n ALA 95 N -2.44 2.50 1.18 6.16 0.00 -1.26 -4.77 120.51 121.89 2kzn n ALA 95 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kzn n ALA 95 Cb 0.03 0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -3.00 0.66 0.06 0.00 8.00 -1.26 -4.22 116.55 116.79 2kzn n ASP 96 Ca -0.07 -1.84 0.04 0.00 0.71 0.00 0.00 54.79 53.63 2kzn n ASP 96 Cb 0.56 -0.33 0.22 0.00 -0.02 0.00 0.00 41.12 41.54 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kzn n SER 97 N -0.11 0.20 -0.09 -2.24 3.41 -1.17 -2.85 113.62 110.77 2kzn n SER 97 Ca 0.00 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.35 2kzn n SER 97 Cb 0.17 -0.62 0.72 0.00 -0.26 0.00 0.00 64.21 64.22 2kzn n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kzn n HIS 98 N -1.76 0.00 0.00 7.33 1.44 -1.26 -4.65 115.22 116.32 2kzn n HIS 98 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kzn n HIS 98 Cb 0.03 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2kzn n HIS 98 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2kzn n LEU 99 N -0.95 0.00 0.00 2.39 4.77 -1.18 -4.79 117.00 117.25 2kzn n LEU 99 Ca 0.17 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2kzn n LEU 99 Cb 0.24 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2kzn n LEU 99 CO 0.22 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2kzn n GLY 100 N -0.85 -0.56 3.39 -0.72 0.00 -0.76 -4.22 105.19 101.46 2kzn n GLY 100 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 1.82 -0.02 1.61 3.76 -0.79 -1.21 115.29 117.46 2kzn s HIS 101 Ca 0.00 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2kzn s HIS 101 Cb 0.00 -0.99 -0.00 0.00 1.11 0.00 0.00 32.58 32.70 2kzn s HIS 101 CO 0.00 0.26 -0.11 0.14 -0.85 0.00 0.00 174.74 174.17 2kzn s VAL 102 N -3.06 0.95 -0.02 -0.90 -7.23 0.21 0.16 120.40 110.50 2kzn s VAL 102 Ca 0.27 -0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.03 2kzn s VAL 102 Cb 0.03 -0.82 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 2kzn s VAL 102 CO 0.10 0.28 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.61 2kzn s PHE 103 N 0.01 1.80 -2.01 2.82 0.08 -0.81 -3.75 117.98 116.12 2kzn s PHE 103 Ca -0.01 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.71 2kzn s PHE 103 Cb -0.08 -1.16 0.15 0.00 -0.57 0.00 0.00 43.02 41.36 2kzn s PHE 103 CO 0.00 -0.06 1.11 -1.71 -0.10 0.00 0.00 175.22 174.47 2kzn n ASN 104 N 2.69 0.46 -0.01 1.36 2.85 -1.26 -1.20 115.26 120.14 2kzn n ASN 104 Ca -0.16 -1.96 0.12 0.00 -0.11 0.00 0.00 54.58 52.48 2kzn n ASN 104 Cb 0.53 -0.06 0.34 0.00 1.24 0.00 0.00 39.78 41.83 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kzn n ASP 105 N -0.27 0.42 -4.72 1.20 9.92 -1.26 -4.88 116.55 116.96 2kzn n ASP 105 Ca 0.04 -0.14 -0.24 0.00 -0.53 0.00 0.00 54.79 53.92 2kzn n ASP 105 Cb 0.08 0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.97 1.61 -0.05 0.44 0.00 -1.19 -5.09 107.32 100.07 2kzn s GLY 106 Ca 0.13 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2kzn s GLY 106 CO 0.65 -1.47 1.05 -4.14 0.00 0.00 0.00 173.10 169.19 2kzn s PRO 107 N -3.43 4.46 -0.13 2.90 0.02 -1.26 -4.39 135.00 133.17 2kzn s PRO 107 Ca 0.31 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 2kzn s PRO 107 Cb -0.08 -3.50 0.12 0.00 0.02 0.00 0.00 34.50 31.06 2kzn s PRO 107 CO 0.21 -0.25 0.98 0.20 -0.33 0.00 0.00 177.00 177.81 2kzn s GLY 108 N 1.13 -0.31 0.51 0.52 0.00 -1.26 -4.74 107.32 103.17 2kzn s GLY 108 Ca 0.52 1.83 0.19 0.00 0.00 0.00 0.00 44.72 47.25 2kzn s GLY 108 CO 0.23 0.90 2.08 -2.55 0.00 0.00 0.00 173.10 173.76 2kzn h PRO 109 N 2.46 0.04 0.00 2.90 0.11 -1.90 -0.94 132.00 134.67 2kzn h PRO 109 Ca -0.19 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.81 2kzn h PRO 109 Cb 1.17 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kzn h PRO 109 CO 0.31 0.03 -0.51 -2.95 -0.21 0.00 0.00 178.00 174.67 2kzn h ASN 110 N 0.04 0.00 0.00 -2.05 -1.07 -1.96 -3.47 115.58 107.07 2kzn h ASN 110 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 2kzn h ASN 110 Cb 0.38 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 2kzn h ASN 110 CO -0.01 0.51 0.00 0.61 0.07 0.00 0.00 177.43 178.61 2kzn n GLY 111 N 0.73 1.45 3.82 9.14 0.00 -0.36 -5.06 105.19 114.91 2kzn n GLY 111 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 3.90 -0.23 0.99 1.43 -1.26 -4.25 118.68 119.26 2kzn s LEU 112 Ca 0.00 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2kzn s LEU 112 Cb 0.00 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.77 2kzn s LEU 112 CO 0.00 0.10 0.04 -0.60 0.23 0.00 0.00 176.35 176.12 2kzn s ARG 113 N -2.91 0.76 -0.91 1.70 6.06 -0.34 -4.37 118.95 118.95 2kzn s ARG 113 Ca 0.31 -0.62 -0.25 0.00 -2.50 0.00 0.00 55.73 52.67 2kzn s ARG 113 Cb -0.11 -2.11 0.04 0.00 0.06 0.00 0.00 34.95 32.83 2kzn s ARG 113 CO 0.24 -0.72 1.41 0.71 -2.50 0.00 0.00 175.30 174.44 2kzn s TYR 114 N 1.76 2.40 -0.86 5.12 1.51 -0.40 -1.92 117.35 124.96 2kzn s TYR 114 Ca 0.01 -0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 55.34 2kzn s TYR 114 Cb -0.17 -4.64 0.04 0.00 -0.11 0.00 0.00 41.96 37.08 2kzn s TYR 114 CO -0.12 -1.99 1.34 0.00 -1.11 0.00 0.00 175.55 173.67 2kzn s ILE 116 N 5.30 3.96 0.18 0.00 -1.09 -1.14 -1.88 121.20 126.54 2kzn s ILE 116 Ca 0.39 -0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 2kzn s ILE 116 Cb -0.05 -2.70 -0.08 0.00 -1.58 0.00 0.00 42.46 38.06 2kzn s ILE 116 CO 0.03 0.54 0.87 0.54 -1.23 0.00 0.00 174.94 175.69 2kzn s ASN 117 N -0.17 7.50 0.58 3.58 2.20 -1.26 -2.85 114.94 124.52 2kzn s ASN 117 Ca 0.03 1.77 0.36 0.00 -0.94 0.00 0.00 52.86 54.08 2kzn s ASN 117 Cb -0.13 -2.55 1.77 0.00 -2.00 0.00 0.00 41.25 38.34 2kzn s ASN 117 CO 0.02 0.14 2.15 -1.28 -2.94 0.00 0.00 177.10 175.19 2kzn h SER 118 N 4.53 0.00 -0.54 3.54 0.87 -1.90 -2.08 113.55 117.96 2kzn h SER 118 Ca -0.45 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.05 2kzn h SER 118 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2kzn h SER 118 CO 0.68 0.04 0.14 0.00 -0.53 0.00 0.00 176.83 177.15 2kzn h ALA 119 N 1.96 1.13 0.00 6.23 0.00 -1.95 -3.08 119.26 123.56 2kzn h ALA 119 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2kzn h ALA 119 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kzn h ALA 119 CO 0.00 0.58 -0.63 0.00 0.00 0.00 0.00 179.25 179.21 2kzn h ALA 120 N 1.27 0.65 -2.45 0.00 0.00 -1.72 -3.43 119.26 113.58 2kzn h ALA 120 Ca 0.19 -0.52 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 2kzn h ALA 120 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kzn h ALA 120 CO 0.00 0.69 -0.53 -0.51 0.00 0.00 0.00 179.25 178.89 2kzn s LEU 121 N -6.39 3.88 -0.12 0.00 1.43 -1.16 -1.84 118.68 114.48 2kzn s LEU 121 Ca 0.03 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2kzn s LEU 121 Cb 0.08 -2.45 0.10 0.00 0.03 0.00 0.00 46.19 43.95 2kzn s LEU 121 CO 0.76 0.02 0.87 -0.60 0.23 0.00 0.00 176.35 177.62 2kzn s ARG 122 N -3.47 0.78 0.35 1.70 6.06 -0.87 -4.88 118.95 118.61 2kzn s ARG 122 Ca 0.32 0.20 -0.22 0.00 -2.50 0.00 0.00 55.73 53.53 2kzn s ARG 122 Cb -0.09 0.37 -0.10 0.00 0.06 0.00 0.00 34.95 35.19 2kzn s ARG 122 CO 0.25 -0.24 0.90 -0.59 -2.50 0.00 0.00 175.30 173.11 2kzn s PHE 123 N -1.11 3.52 -0.30 5.12 -0.71 -1.25 -1.53 117.98 121.71 2kzn s PHE 123 Ca -0.05 1.61 0.03 0.00 -1.04 0.00 0.00 56.93 57.48 2kzn s PHE 123 Cb -0.00 -2.82 0.08 0.00 -1.21 0.00 0.00 43.02 39.07 2kzn s PHE 123 CO 0.05 0.10 -0.01 0.08 -1.34 0.00 0.00 175.22 174.09 2kzn s VAL 124 N -1.84 2.17 0.78 -2.49 1.01 0.46 -4.86 120.40 115.63 2kzn s VAL 124 Ca 0.54 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.39 2kzn s VAL 124 Cb -0.14 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.84 2kzn s VAL 124 CO 0.19 -0.36 1.16 -2.16 0.00 0.00 0.00 175.10 173.93 2kzn s PRO 125 N 1.02 1.91 0.62 2.72 0.04 -1.25 -1.61 135.00 138.45 2kzn s PRO 125 Ca 0.03 1.56 0.32 0.00 0.04 0.00 0.00 61.00 62.95 2kzn s PRO 125 Cb -0.19 -1.83 1.82 0.00 0.04 0.00 0.00 34.50 34.34 2kzn s PRO 125 CO -0.07 -1.97 2.14 1.57 0.04 0.00 0.00 177.00 178.71 2kzn h LYS 126 N -0.84 0.00 -0.13 4.56 2.10 -1.95 0.15 116.57 120.47 2kzn h LYS 126 Ca -0.46 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.13 2kzn h LYS 126 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 2kzn h LYS 126 CO 0.48 0.00 -0.22 1.25 -2.00 0.00 0.00 179.45 178.96 2kzn h HIS 127 N 0.00 0.24 0.03 0.07 2.76 -1.95 -2.23 115.15 114.06 2kzn h HIS 127 Ca 0.05 -0.04 -0.31 0.00 -2.20 0.00 0.00 60.37 57.87 2kzn h HIS 127 Cb 0.39 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 2kzn h HIS 127 CO 0.00 0.44 -1.83 1.17 -1.30 0.00 0.00 177.93 176.41 2kzn n LYS 128 N -4.19 0.66 -0.02 5.26 3.00 0.32 -4.30 118.16 118.89 2kzn n LYS 128 Ca -0.01 0.27 -0.08 0.00 -0.00 0.00 0.00 58.31 58.49 2kzn n LYS 128 Cb 0.34 -1.75 0.09 0.00 0.00 0.00 0.00 35.03 33.71 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 0.01 0.65 -1.72 3.14 3.38 -0.75 0.26 115.31 120.27 2kzn h LEU 129 Ca -0.34 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 2kzn h LEU 129 Cb 2.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2kzn h LEU 129 CO 0.07 0.96 -0.16 0.07 0.09 0.00 0.00 178.44 179.48 2kzn h LYS 130 N 0.51 0.00 0.06 1.13 2.10 -1.61 0.40 116.57 119.15 2kzn h LYS 130 Ca 0.05 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.42 2kzn h LYS 130 Cb 0.89 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2kzn h LYS 130 CO 0.08 0.16 -1.46 0.93 -2.00 0.00 0.00 179.45 177.16 2kzn h GLU 131 N 0.00 0.12 -0.02 0.07 4.39 -1.49 -3.38 114.58 114.27 2kzn h GLU 131 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2kzn h GLU 131 Cb 0.30 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2kzn h GLU 131 CO 0.02 0.92 -0.18 -1.91 -1.16 0.00 0.00 179.01 176.70 2kzn n GLU 132 N -3.32 1.48 0.00 2.33 4.07 0.81 -4.92 120.64 121.10 2kzn n GLU 132 Ca -0.13 -1.06 0.00 0.00 -0.06 0.00 0.00 57.16 55.91 2kzn n GLU 132 Cb 1.02 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.92 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kzn n GLY 133 N 1.31 0.73 0.69 8.31 0.00 -0.05 -5.01 105.19 111.17 2kzn n GLY 133 Ca 0.14 -0.28 0.50 0.00 0.00 0.00 0.00 46.02 46.37 2kzn n GLY 133 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2kzn h TYR 134 N 0.00 0.00 -0.26 1.61 -0.00 -0.52 -1.64 116.97 116.16 2kzn h TYR 134 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 2kzn h TYR 134 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 2kzn h TYR 134 CO 0.00 0.00 -0.03 0.93 -0.00 0.00 0.00 178.16 179.06 2kzn h GLU 135 N 0.00 0.40 0.03 0.10 3.07 -1.95 0.51 114.58 116.74 2kzn h GLU 135 Ca 0.87 -0.08 -0.26 0.00 -0.50 0.00 0.00 59.36 59.39 2kzn h GLU 135 Cb 3.65 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 31.47 2kzn h GLU 135 CO -0.01 0.46 -1.41 0.66 -1.40 0.00 0.00 179.01 177.31 2kzn h SER 136 N 0.39 0.09 0.31 1.42 4.64 -1.72 -3.38 113.55 115.30 2kzn h SER 136 Ca 0.08 -0.60 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 2kzn h SER 136 Cb 0.32 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2kzn h SER 136 CO 0.01 1.57 -0.15 1.88 -0.87 0.00 0.00 176.83 179.27 2kzn h TYR 137 N -0.78 -0.38 0.00 4.77 0.05 -1.40 -3.30 116.97 115.93 2kzn h TYR 137 Ca -0.36 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 2kzn h TYR 137 Cb 1.46 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 39.32 2kzn h TYR 137 CO 0.09 -0.06 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.01 2kzn h LEU 138 N -0.97 0.00 -1.37 3.88 4.07 -1.15 0.96 115.31 120.73 2kzn h LEU 138 Ca -0.04 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.02 2kzn h LEU 138 Cb 0.49 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 2kzn h LEU 138 CO 0.07 0.06 0.52 -0.74 -1.08 0.00 0.00 178.44 177.27 2kzn h HIS 139 N 0.00 0.75 0.05 1.13 -0.00 -1.63 -2.47 115.15 112.98 2kzn h HIS 139 Ca -0.00 0.02 -0.37 0.00 -0.00 0.00 0.00 60.37 60.02 2kzn h HIS 139 Cb 0.42 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 2kzn h HIS 139 CO 0.00 0.34 -2.22 1.28 -0.00 0.00 0.00 177.93 177.33 2kzn n LEU 140 N -4.51 2.44 -0.29 0.26 4.77 -0.25 -4.40 117.00 115.02 2kzn n LEU 140 Ca 0.14 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.12 2kzn n LEU 140 Cb 0.35 -0.80 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 2kzn n LEU 140 CO 0.32 0.83 1.15 0.15 -1.33 0.00 0.00 177.39 178.51 2kzn h PHE 141 N 0.03 1.07 -2.47 -1.77 3.57 -0.85 -3.04 116.94 113.48 2kzn h PHE 141 Ca -0.49 -0.01 -0.70 0.00 3.53 0.00 0.00 57.97 60.30 2kzn h PHE 141 Cb 1.99 -0.35 -0.35 0.00 2.79 0.00 0.00 35.95 40.03 2kzn h PHE 141 CO 0.04 0.73 0.07 -1.71 -2.23 0.00 0.00 178.31 175.21 2kzn n ASN 142 N -4.45 5.20 -4.40 0.41 5.15 -0.94 -4.57 115.26 111.67 2kzn n ASN 142 Ca 0.08 -3.49 -0.41 0.00 -0.60 0.00 0.00 54.58 50.15 2kzn n ASN 142 Cb 0.07 -0.92 -0.11 0.00 -0.53 0.00 0.00 39.78 38.29 2kzn n ASN 142 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2kzn s LYS 143 N -2.92 2.86 0.82 1.20 2.47 -1.15 -4.89 119.74 118.12 2kzn s LYS 143 Ca 0.38 -1.08 -0.12 0.00 -1.56 0.00 0.00 55.97 53.59 2kzn s LYS 143 Cb 0.13 -3.82 0.08 0.00 -1.46 0.00 0.00 37.83 32.76 2kzn s LYS 143 CO 0.00 -0.74 1.10 -0.51 0.16 0.00 0.00 175.35 175.37 2kzn s LEU 144 N 1.59 2.50 0.49 5.43 1.43 -1.26 -4.99 118.68 123.87 2kzn s LEU 144 Ca 0.03 1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 54.16 2kzn s LEU 144 Cb -0.19 -3.81 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 2kzn s LEU 144 CO 0.08 -2.07 1.18 -1.83 0.23 0.00 0.00 176.35 173.93 2kzn s GLU 145 N -5.18 3.58 0.06 1.70 -1.05 -1.26 -5.07 118.70 111.47 2kzn s GLU 145 Ca 0.61 1.79 0.01 0.00 -0.15 0.00 0.00 54.97 57.23 2kzn s GLU 145 Cb -0.14 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.23 2kzn s GLU 145 CO 0.54 -0.71 -0.05 -1.01 0.95 0.00 0.00 175.26 174.98 2kzn s HIS 146 N -1.57 0.62 0.00 4.83 3.76 -1.26 -5.33 115.29 116.34 2kzn s HIS 146 Ca 0.67 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2kzn s HIS 146 Cb -0.29 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.01 2kzn s HIS 146 CO 0.34 -0.19 0.24 -2.39 -0.85 0.00 0.00 174.74 171.89