#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 2.62 0.06 3.04 0.00 -1.26 -4.99 121.76 121.23 2kzn s ALA 2 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.15 2kzn s ALA 2 Cb 0.00 -4.34 -0.06 0.00 0.00 0.00 0.00 23.12 18.72 2kzn s ALA 2 CO 0.00 -3.51 1.23 0.71 0.00 0.00 0.00 175.76 174.19 2kzn s TYR 3 N 6.16 3.37 1.06 0.00 2.02 -1.26 -5.05 117.35 123.66 2kzn s TYR 3 Ca 0.43 1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 58.24 2kzn s TYR 3 Cb -0.07 -3.46 0.23 0.00 -0.40 0.00 0.00 41.96 38.26 2kzn s TYR 3 CO 0.09 -1.47 1.07 -0.80 -1.57 0.00 0.00 175.55 172.86 2kzn s ASN 4 N 1.13 1.94 0.06 2.29 -0.87 -1.26 -4.95 114.94 113.29 2kzn s ASN 4 Ca 0.59 1.39 -0.22 0.00 -1.57 0.00 0.00 52.86 53.05 2kzn s ASN 4 Cb -0.30 -2.10 -0.14 0.00 -0.02 0.00 0.00 41.25 38.69 2kzn s ASN 4 CO 0.29 -3.58 1.56 0.11 -2.57 0.00 0.00 177.10 172.90 2kzn h LYS 5 N -2.20 0.13 -0.18 -0.60 1.79 -1.96 -2.67 116.57 110.88 2kzn h LYS 5 Ca -0.57 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 57.92 2kzn h LYS 5 Cb 1.33 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 2kzn h LYS 5 CO 0.54 0.30 0.92 0.93 -1.08 0.00 0.00 179.45 181.06 2kzn h GLU 6 N -0.06 0.00 0.12 3.15 4.39 -1.95 0.31 114.58 120.53 2kzn h GLU 6 Ca 0.03 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 2kzn h GLU 6 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2kzn h GLU 6 CO -0.00 0.00 -1.74 1.49 -1.16 0.00 0.00 179.01 177.60 2kzn h GLU 7 N 0.00 0.24 0.00 2.33 4.22 -1.84 -3.41 114.58 116.12 2kzn h GLU 7 Ca 0.09 -0.42 -0.28 0.00 0.08 0.00 0.00 59.36 58.83 2kzn h GLU 7 Cb 1.93 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.28 2kzn h GLU 7 CO -0.00 1.20 -1.68 1.63 -2.18 0.00 0.00 179.01 177.98 2kzn n LYS 8 N -3.73 0.63 -0.24 1.92 5.02 0.79 -4.35 118.16 118.20 2kzn n LYS 8 Ca -0.29 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 2kzn n LYS 8 Cb 0.97 -1.80 0.38 0.00 -0.02 0.00 0.00 35.03 34.57 2kzn n LYS 8 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kzn h ILE 9 N 0.00 0.87 -0.90 -0.18 1.08 -0.95 -0.41 117.51 117.02 2kzn h ILE 9 Ca -0.27 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.00 2kzn h ILE 9 Cb 1.97 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2kzn h ILE 9 CO 0.08 0.12 0.58 0.11 -0.69 0.00 0.00 178.15 178.35 2kzn h LYS 10 N 0.68 1.09 0.00 2.37 6.56 -1.84 -0.38 116.57 125.05 2kzn h LYS 10 Ca 0.41 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.78 2kzn h LYS 10 Cb 0.64 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 2kzn h LYS 10 CO -0.17 0.72 -0.88 0.77 -2.06 0.00 0.00 179.45 177.83 2kzn h SER 11 N 1.13 0.00 -0.48 0.86 0.02 -1.73 -3.37 113.55 109.97 2kzn h SER 11 Ca 0.36 -0.60 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 2kzn h SER 11 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.45 2kzn h SER 11 CO -0.12 1.31 -0.43 0.25 -1.14 0.00 0.00 176.83 176.70 2kzn h LEU 12 N -1.00 -1.45 -1.06 5.07 5.85 -0.97 -2.40 115.31 119.35 2kzn h LEU 12 Ca -0.24 0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2kzn h LEU 12 Cb 1.16 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 2kzn h LEU 12 CO -0.14 -0.35 -0.47 0.78 -0.34 0.00 0.00 178.44 177.92 2kzn h ASN 13 N -0.28 0.00 0.21 1.25 -0.26 -1.31 -1.27 115.58 113.92 2kzn h ASN 13 Ca 0.16 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.87 2kzn h ASN 13 Cb 0.57 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 2kzn h ASN 13 CO -0.62 0.47 -0.12 -0.09 -1.06 0.00 0.00 177.43 176.00 2kzn h ARG 14 N 0.00 0.00 0.00 0.81 2.43 -1.60 0.68 114.38 116.70 2kzn h ARG 14 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2kzn h ARG 14 Cb 0.84 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2kzn h ARG 14 CO 0.06 0.12 -0.40 0.52 -1.51 0.00 0.00 179.97 178.77 2kzn h MET 15 N 0.00 0.00 -0.07 0.20 2.86 -1.18 -3.30 114.93 113.43 2kzn h MET 15 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kzn h MET 15 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kzn h MET 15 CO 0.02 0.25 0.03 1.96 1.06 0.00 0.00 176.91 180.22 2kzn h GLN 16 N -1.00 0.11 -0.55 1.72 4.20 -1.17 -1.34 115.11 117.07 2kzn h GLN 16 Ca -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2kzn h GLN 16 Cb 0.51 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2kzn h GLN 16 CO -0.03 0.25 0.29 -0.92 -0.67 0.00 0.00 178.83 177.75 2kzn h TYR 17 N -0.05 0.74 -0.77 2.96 3.20 -1.11 -0.16 116.97 121.78 2kzn h TYR 17 Ca 0.02 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2kzn h TYR 17 Cb 0.18 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2kzn h TYR 17 CO -0.01 0.53 0.49 1.49 -1.64 0.00 0.00 178.16 179.02 2kzn h GLU 18 N 0.77 0.94 -0.32 1.82 4.81 -1.54 -0.28 114.58 120.79 2kzn h GLU 18 Ca 0.20 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2kzn h GLU 18 Cb 0.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2kzn h GLU 18 CO -0.03 0.62 -0.04 0.28 -0.73 0.00 0.00 179.01 179.11 2kzn h VAL 19 N 0.97 1.27 -0.91 0.32 2.07 -0.51 -1.81 116.25 117.66 2kzn h VAL 19 Ca 0.30 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.87 2kzn h VAL 19 Cb -0.01 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2kzn h VAL 19 CO -0.10 0.34 0.59 0.74 0.02 0.00 0.00 177.57 179.15 2kzn h THR 20 N 0.37 1.00 -0.37 2.57 2.02 -0.92 0.26 112.91 117.84 2kzn h THR 20 Ca 0.08 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 2kzn h THR 20 Cb 0.51 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2kzn h THR 20 CO 0.02 0.17 -0.14 -0.61 0.37 0.00 0.00 175.52 175.34 2kzn h GLN 21 N 0.95 0.75 -0.13 6.66 -0.00 -0.24 -3.26 115.11 119.84 2kzn h GLN 21 Ca 0.41 -0.31 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2kzn h GLN 21 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2kzn h GLN 21 CO -0.17 0.92 0.00 0.27 0.00 0.00 0.00 178.83 179.85 2kzn n ASN 22 N -4.33 2.18 -2.32 -0.69 0.23 -0.81 -4.98 115.26 104.54 2kzn n ASN 22 Ca -0.02 -1.72 -0.19 0.00 -0.53 0.00 0.00 54.58 52.13 2kzn n ASN 22 Cb 0.38 -0.09 0.01 0.00 -2.08 0.00 0.00 39.78 38.00 2kzn n ASN 22 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kzn n ASN 23 N 0.23 -5.46 -3.92 0.53 4.13 0.72 -4.98 115.26 106.51 2kzn n ASN 23 Ca 0.06 -0.10 -0.30 0.00 1.68 0.00 0.00 54.58 55.92 2kzn n ASN 23 Cb 0.28 -4.44 0.21 0.00 -1.54 0.00 0.00 39.78 34.30 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2kzn s GLY 24 N -2.37 1.73 0.28 7.41 0.00 -0.04 -5.00 107.32 109.33 2kzn s GLY 24 Ca 0.10 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.70 2kzn s GLY 24 CO 0.12 -0.34 0.35 -1.59 0.00 0.00 0.00 173.10 171.64 2kzn s THR 25 N -3.61 4.51 0.08 0.90 2.01 -1.26 -4.75 115.64 113.52 2kzn s THR 25 Ca 0.74 -1.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 2kzn s THR 25 Cb -0.05 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 2kzn s THR 25 CO 0.54 -0.26 1.90 -0.70 -0.69 0.00 0.00 174.62 175.40 2kzn s GLU 26 N -4.01 4.14 0.07 4.92 2.12 -1.26 -4.91 118.70 119.77 2kzn s GLU 26 Ca 0.38 2.60 -0.31 0.00 0.36 0.00 0.00 54.97 58.01 2kzn s GLU 26 Cb -0.08 -3.86 -0.08 0.00 0.26 0.00 0.00 34.13 30.36 2kzn s GLU 26 CO 0.28 -0.90 1.69 -2.14 -0.54 0.00 0.00 175.26 173.65 2kzn s PRO 27 N 3.56 4.19 -0.73 4.30 0.02 -1.26 -4.78 135.00 140.29 2kzn s PRO 27 Ca 0.84 2.37 -0.17 0.00 0.02 0.00 0.00 61.00 64.06 2kzn s PRO 27 Cb -0.44 -3.64 -0.17 0.00 0.02 0.00 0.00 34.50 30.27 2kzn s PRO 27 CO 0.39 -0.76 1.91 -2.30 -0.33 0.00 0.00 177.00 175.91 2kzn n PRO 28 N 5.75 0.16 -0.03 5.54 -0.02 -1.26 -4.71 135.00 140.43 2kzn n PRO 28 Ca 0.16 -0.82 -0.02 0.00 -2.02 0.00 0.00 63.50 60.80 2kzn n PRO 28 Cb 0.40 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 2kzn n PRO 28 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2kzn h PHE 29 N 11.14 0.00 0.00 6.00 0.04 -1.99 -3.45 116.94 128.69 2kzn h PHE 29 Ca 0.01 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.63 2kzn h PHE 29 Cb 1.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 2kzn h PHE 29 CO 1.26 0.00 -0.81 0.37 -0.60 0.00 0.00 178.31 178.52 2kzn h GLN 30 N -0.47 0.01 -6.65 1.51 4.15 -1.99 -3.47 115.11 108.21 2kzn h GLN 30 Ca 0.00 -0.02 -0.70 0.00 0.77 0.00 0.00 58.65 58.71 2kzn h GLN 30 Cb 0.22 0.01 -0.28 0.00 0.21 0.00 0.00 27.48 27.64 2kzn h GLN 30 CO 0.00 1.01 -0.88 -0.80 -1.93 0.00 0.00 178.83 176.23 2kzn s ASN 31 N -6.63 3.19 -0.10 -0.69 0.01 -1.26 -5.04 114.94 104.42 2kzn s ASN 31 Ca -0.25 -0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 51.29 2kzn s ASN 31 Cb 0.03 -0.36 -0.27 0.00 0.41 0.00 0.00 41.25 41.05 2kzn s ASN 31 CO 0.63 0.29 0.49 1.05 -1.51 0.00 0.00 177.10 178.06 2kzn h GLU 32 N 5.15 0.29 -0.00 -0.60 9.09 -1.91 -3.40 114.58 123.19 2kzn h GLU 32 Ca -0.45 -0.49 0.00 0.00 0.05 0.00 0.00 59.36 58.47 2kzn h GLU 32 Cb 1.13 0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2kzn h GLU 32 CO 0.46 1.23 -0.13 0.98 0.05 0.00 0.00 179.01 181.60 2kzn n TYR 33 N -3.68 0.00 -3.54 2.06 9.36 -1.26 -4.93 117.16 115.17 2kzn n TYR 33 Ca -0.28 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 60.74 2kzn n TYR 33 Cb 1.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.79 2kzn n TYR 33 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2kzn n TRP 34 N -0.78 -2.33 0.27 2.98 8.01 -1.26 -4.91 117.44 119.42 2kzn n TRP 34 Ca 0.01 0.94 0.13 0.00 -1.31 0.00 0.00 57.50 57.28 2kzn n TRP 34 Cb 0.07 -4.91 0.78 0.00 -2.01 0.00 0.00 31.31 25.24 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 -2.11 0.00 -0.99 -0.99 5.19 -1.97 -3.40 116.42 112.15 2kzn h ASP 35 Ca -0.59 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.44 2kzn h ASP 35 Cb 1.35 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.81 2kzn h ASP 35 CO 0.54 0.09 0.95 -1.00 -3.12 0.00 0.00 179.24 176.70 2kzn s HIS 36 N -4.27 1.93 -0.30 4.55 3.76 -1.26 -4.73 115.29 114.97 2kzn s HIS 36 Ca -0.03 0.38 0.09 0.00 -0.15 0.00 0.00 55.06 55.35 2kzn s HIS 36 Cb 0.13 -4.18 0.53 0.00 1.11 0.00 0.00 32.58 30.18 2kzn s HIS 36 CO 0.57 -1.86 1.52 1.17 -0.85 0.00 0.00 174.74 175.29 2kzn n LYS 37 N 8.92 1.98 -1.81 1.40 4.81 -1.26 -4.94 118.16 127.26 2kzn n LYS 37 Ca 0.35 -3.14 -0.42 0.00 -0.87 0.00 0.00 58.31 54.23 2kzn n LYS 37 Cb 0.48 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.22 4.16 0.69 1.64 2.02 -1.26 -4.93 118.70 117.79 2kzn s GLU 38 Ca 0.46 2.46 -0.17 0.00 0.02 0.00 0.00 54.97 57.75 2kzn s GLU 38 Cb 0.41 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.79 2kzn s GLU 38 CO 0.02 -0.86 1.26 -1.83 0.02 0.00 0.00 175.26 173.87 2kzn s GLU 39 N 3.55 2.31 0.00 1.61 4.04 -1.26 -4.62 118.70 124.33 2kzn s GLU 39 Ca 0.80 1.94 0.00 0.00 0.04 0.00 0.00 54.97 57.75 2kzn s GLU 39 Cb -0.41 -1.83 0.00 0.00 0.02 0.00 0.00 34.13 31.91 2kzn s GLU 39 CO 0.36 -1.75 0.00 0.41 -1.84 0.00 0.00 175.26 172.44 2kzn n GLY 40 N 0.71 0.76 3.38 -3.83 0.00 -1.26 -3.67 105.19 101.28 2kzn n GLY 40 Ca 0.15 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 2.51 -0.24 0.99 1.43 -0.59 -1.72 118.68 121.07 2kzn s LEU 41 Ca 0.00 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2kzn s LEU 41 Cb 0.00 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.62 2kzn s LEU 41 CO 0.00 -0.25 -0.13 -0.31 0.23 0.00 0.00 176.35 175.89 2kzn s TYR 42 N -3.00 3.08 0.20 0.29 2.02 0.43 -1.72 117.35 118.64 2kzn s TYR 42 Ca 0.26 -2.11 0.11 0.00 -0.37 0.00 0.00 57.07 54.96 2kzn s TYR 42 Cb 0.01 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2kzn s TYR 42 CO 0.09 -0.85 -0.23 0.14 -1.57 0.00 0.00 175.55 173.13 2kzn s VAL 43 N 1.17 2.26 -0.26 0.71 -7.23 -0.74 -2.43 120.40 113.88 2kzn s VAL 43 Ca -0.05 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.79 2kzn s VAL 43 Cb -0.18 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2kzn s VAL 43 CO -0.07 -0.18 1.27 1.51 -0.31 0.00 0.00 175.10 177.32 2kzn s ASP 44 N -2.74 6.77 0.41 4.85 -4.77 -0.98 0.16 116.67 120.37 2kzn s ASP 44 Ca 0.21 1.34 0.19 0.00 -3.30 0.00 0.00 52.55 50.98 2kzn s ASP 44 Cb -0.07 -2.54 1.12 0.00 -1.09 0.00 0.00 42.92 40.34 2kzn s ASP 44 CO 0.10 -0.97 1.78 0.40 0.70 0.00 0.00 175.17 177.18 2kzn h ILE 45 N 5.80 0.54 -0.05 2.11 2.04 -1.51 0.31 117.51 126.75 2kzn h ILE 45 Ca -0.26 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2kzn h ILE 45 Cb 1.10 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2kzn h ILE 45 CO 1.01 0.07 -0.04 -0.37 0.00 0.00 0.00 178.15 178.82 2kzn h VAL 46 N 0.38 0.87 -0.00 1.67 -1.51 -1.91 -3.34 116.25 112.41 2kzn h VAL 46 Ca 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.05 2kzn h VAL 46 Cb 1.49 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2kzn h VAL 46 CO -0.27 0.00 -0.05 -0.24 -1.23 0.00 0.00 177.57 175.78 2kzn n SER 47 N -5.16 0.51 -1.71 4.19 2.88 -1.11 -4.97 113.62 108.25 2kzn n SER 47 Ca -0.05 -0.76 -0.14 0.00 -1.33 0.00 0.00 58.87 56.59 2kzn n SER 47 Cb 0.09 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.68 -0.17 3.79 0.46 0.00 0.11 -5.02 105.19 105.04 2kzn n GLY 48 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2kzn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kzn s LYS 49 N -4.87 3.19 -0.08 1.61 -0.14 -1.23 -4.84 119.74 113.37 2kzn s LYS 49 Ca 0.06 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.05 2kzn s LYS 49 Cb -0.03 -2.96 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 2kzn s LYS 49 CO 0.08 0.71 1.37 -1.25 -0.76 0.00 0.00 175.35 175.49 2kzn s PRO 50 N -1.22 4.26 -0.19 -1.68 0.04 -1.26 -2.31 135.00 132.63 2kzn s PRO 50 Ca 0.17 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2kzn s PRO 50 Cb -0.12 -3.72 -0.10 0.00 0.04 0.00 0.00 34.50 30.61 2kzn s PRO 50 CO 0.07 -0.65 -0.22 1.28 0.04 0.00 0.00 177.00 177.52 2kzn n LEU 51 N 6.12 1.97 -3.54 -3.56 4.77 -1.02 -4.50 117.00 117.24 2kzn n LEU 51 Ca 0.14 0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 2kzn n LEU 51 Cb 0.44 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2kzn n LEU 51 CO 0.58 0.55 0.79 0.12 -1.33 0.00 0.00 177.39 178.10 2kzn s PHE 52 N -2.36 -0.29 0.30 -1.77 5.36 -1.12 -1.00 117.98 117.11 2kzn s PHE 52 Ca -0.26 0.24 -0.25 0.00 -0.96 0.00 0.00 56.93 55.70 2kzn s PHE 52 Cb 0.09 0.52 -0.10 0.00 -0.34 0.00 0.00 43.02 43.19 2kzn s PHE 52 CO 0.37 -0.42 0.90 -0.08 -1.46 0.00 0.00 175.22 174.54 2kzn s THR 53 N -2.58 4.29 -0.15 0.12 -1.32 -1.26 -0.43 115.64 114.31 2kzn s THR 53 Ca 0.05 1.71 0.15 0.00 -1.21 0.00 0.00 61.69 62.39 2kzn s THR 53 Cb -0.01 -3.98 0.03 0.00 -1.51 0.00 0.00 72.50 67.03 2kzn s THR 53 CO -0.06 0.15 1.37 -1.28 -2.21 0.00 0.00 174.62 172.59 2kzn h SER 54 N 3.22 0.00 0.79 8.08 0.87 -1.56 -3.30 113.55 121.65 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 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kzn h SER 54 CO 0.65 0.52 0.00 1.17 -0.53 0.00 0.00 176.83 178.64 2kzn n LYS 55 N -3.19 0.04 -2.03 2.24 4.81 -1.24 -2.61 118.16 116.19 2kzn n LYS 55 Ca 0.01 0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.42 2kzn n LYS 55 Cb 0.75 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 34.36 2kzn n LYS 55 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kzn n ASP 56 N -1.47 3.14 -4.96 3.14 2.03 -1.25 -4.99 116.55 112.18 2kzn n ASP 56 Ca 0.07 -3.10 -0.22 0.00 0.52 0.00 0.00 54.79 52.06 2kzn n ASP 56 Cb 0.27 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.25 2kzn n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2kzn s LYS 57 N -3.30 3.42 0.17 -0.67 -2.85 -1.07 -4.93 119.74 110.51 2kzn s LYS 57 Ca 0.41 -0.63 0.01 0.00 -1.00 0.00 0.00 55.97 54.76 2kzn s LYS 57 Cb 0.38 -2.80 -0.05 0.00 -2.06 0.00 0.00 37.83 33.30 2kzn s LYS 57 CO -0.02 0.29 0.01 -0.59 0.10 0.00 0.00 175.35 175.14 2kzn s PHE 58 N -2.13 1.19 0.40 1.78 -0.71 -1.26 -5.07 117.98 112.18 2kzn s PHE 58 Ca 0.37 -1.06 -0.13 0.00 -1.04 0.00 0.00 56.93 55.08 2kzn s PHE 58 Cb -0.09 -0.68 -0.07 0.00 -1.21 0.00 0.00 43.02 40.96 2kzn s PHE 58 CO 0.32 -0.26 0.80 -0.51 -1.34 0.00 0.00 175.22 174.24 2kzn s ASP 59 N -3.17 6.61 -0.13 1.98 1.01 -1.26 -4.63 116.67 117.08 2kzn s ASP 59 Ca 0.25 1.26 -0.00 0.00 0.71 0.00 0.00 52.55 54.76 2kzn s ASP 59 Cb 0.06 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 2kzn s ASP 59 CO 0.04 -0.38 -0.12 -0.55 0.21 0.00 0.00 175.17 174.37 2kzn s SER 60 N -2.89 4.05 0.50 0.27 0.15 -1.26 -4.92 113.70 109.60 2kzn s SER 60 Ca 0.54 -0.32 0.32 0.00 0.70 0.00 0.00 55.95 57.18 2kzn s SER 60 Cb -0.10 -1.62 1.30 0.00 -1.71 0.00 0.00 66.02 63.88 2kzn s SER 60 CO 0.27 0.16 1.94 0.06 1.20 0.00 0.00 173.24 176.87 2kzn h GLN 61 N 6.75 0.00 0.00 5.44 3.07 -1.98 -2.00 115.11 126.39 2kzn h GLN 61 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.48 2kzn h GLN 61 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2kzn h GLN 61 CO 0.56 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.48 2kzn n GLY 63 N 0.83 2.68 3.70 0.00 0.00 -0.75 -5.01 105.19 106.64 2kzn n GLY 63 Ca 0.03 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 3.07 -0.25 1.61 0.51 -1.26 -4.71 118.94 117.91 2kzn s TRP 64 Ca 0.00 0.93 -0.34 0.00 -2.12 0.00 0.00 56.10 54.57 2kzn s TRP 64 Cb 0.00 -3.64 -0.11 0.00 -0.81 0.00 0.00 33.47 28.91 2kzn s TRP 64 CO 0.00 -2.28 2.09 -2.30 -0.51 0.00 0.00 176.95 173.94 2kzn n PRO 65 N 4.67 1.54 -3.54 4.98 -0.02 -1.26 -4.76 135.00 136.61 2kzn n PRO 65 Ca 0.12 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2kzn n PRO 65 Cb 0.43 -2.64 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 2kzn n PRO 65 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kzn s SER 66 N 6.41 5.76 0.38 2.55 0.01 -1.26 -3.44 113.70 124.11 2kzn s SER 66 Ca 1.03 -2.02 0.01 0.00 1.31 0.00 0.00 55.95 56.28 2kzn s SER 66 Cb -0.73 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2kzn s SER 66 CO 0.48 -0.67 0.58 -0.36 0.41 0.00 0.00 173.24 173.68 2kzn s PHE 67 N 1.20 3.35 -0.15 2.43 0.08 0.10 -4.76 117.98 120.23 2kzn s PHE 67 Ca 0.07 0.23 0.17 0.00 0.12 0.00 0.00 56.93 57.53 2kzn s PHE 67 Cb -0.25 -2.06 -0.25 0.00 -0.57 0.00 0.00 43.02 39.90 2kzn s PHE 67 CO -0.01 -0.07 0.27 2.41 -0.10 0.00 0.00 175.22 177.72 2kzn n THR 68 N -1.87 1.27 -4.39 0.64 -1.04 -1.26 -1.60 114.28 106.03 2kzn n THR 68 Ca -0.02 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.05 60.97 2kzn n THR 68 Cb 0.57 -0.53 -0.13 0.00 -1.82 0.00 0.00 70.33 68.41 2kzn n THR 68 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kzn s LYS 69 N -2.65 1.05 0.61 -2.82 1.02 -1.26 -4.37 119.74 111.32 2kzn s LYS 69 Ca -0.08 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 55.09 2kzn s LYS 69 Cb 0.07 -1.12 0.09 0.00 -0.52 0.00 0.00 37.83 36.36 2kzn s LYS 69 CO 0.84 0.27 0.84 -1.25 -0.92 0.00 0.00 175.35 175.13 2kzn s PRO 70 N -1.33 2.16 -0.33 -1.68 0.04 -1.26 -4.94 135.00 127.67 2kzn s PRO 70 Ca 0.03 -1.50 -0.13 0.00 0.04 0.00 0.00 61.00 59.45 2kzn s PRO 70 Cb -0.09 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 2kzn s PRO 70 CO 0.02 -0.99 0.26 0.42 0.04 0.00 0.00 177.00 176.75 2kzn s ILE 71 N -2.78 5.27 -0.03 0.56 1.01 -0.17 -4.96 121.20 120.10 2kzn s ILE 71 Ca 0.63 -0.07 0.31 0.00 0.00 0.00 0.00 60.65 61.52 2kzn s ILE 71 Cb -0.06 -3.69 0.34 0.00 0.01 0.00 0.00 42.46 39.06 2kzn s ILE 71 CO 0.40 0.04 1.93 -0.33 0.00 0.00 0.00 174.94 176.97 2kzn h GLU 72 N 8.45 0.00 -0.19 2.79 5.08 -1.89 -3.24 114.58 125.58 2kzn h GLU 72 Ca -0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2kzn h GLU 72 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2kzn h GLU 72 CO 0.63 0.00 0.05 0.93 -1.00 0.00 0.00 179.01 179.62 2kzn h GLU 73 N 0.00 0.30 -0.01 2.33 4.39 -1.94 -3.30 114.58 116.34 2kzn h GLU 73 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kzn h GLU 73 Cb 0.37 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2kzn h GLU 73 CO 0.00 0.42 -0.13 0.39 -1.16 0.00 0.00 179.01 178.53 2kzn n GLU 74 N -4.79 1.37 -4.28 2.33 -0.58 -1.22 -4.99 120.64 108.47 2kzn n GLU 74 Ca -0.04 -0.95 -0.34 0.00 -0.42 0.00 0.00 57.16 55.41 2kzn n GLU 74 Cb 0.16 -1.19 -0.11 0.00 -0.57 0.00 0.00 31.44 29.73 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kzn s VAL 75 N -1.29 4.18 -0.17 2.62 1.01 -1.23 -4.75 120.40 120.77 2kzn s VAL 75 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kzn s VAL 75 Cb 0.10 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2kzn s VAL 75 CO 0.23 0.49 -0.17 -1.61 0.00 0.00 0.00 175.10 174.04 2kzn s GLU 76 N 0.29 2.70 -0.25 2.72 0.41 -1.26 -4.88 118.70 118.44 2kzn s GLU 76 Ca -0.01 -0.77 -0.25 0.00 -0.41 0.00 0.00 54.97 53.53 2kzn s GLU 76 Cb -0.13 -2.44 -0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2kzn s GLU 76 CO 0.02 -0.24 0.85 -1.83 -0.49 0.00 0.00 175.26 173.57 2kzn s GLU 77 N 1.35 4.18 -0.33 1.61 -1.05 -1.26 -0.67 118.70 122.52 2kzn s GLU 77 Ca 0.04 0.97 0.03 0.00 -0.15 0.00 0.00 54.97 55.86 2kzn s GLU 77 Cb -0.13 -3.65 0.10 0.00 -0.44 0.00 0.00 34.13 30.00 2kzn s GLU 77 CO -0.12 -0.54 0.05 0.21 0.95 0.00 0.00 175.26 175.81 2kzn s LYS 78 N 2.89 1.43 0.46 -4.83 2.47 -0.33 -4.97 119.74 116.86 2kzn s LYS 78 Ca 0.36 -1.77 -0.22 0.00 -1.56 0.00 0.00 55.97 52.78 2kzn s LYS 78 Cb -0.15 -3.07 -0.08 0.00 -1.46 0.00 0.00 37.83 33.07 2kzn s LYS 78 CO 0.08 -0.93 1.10 -1.17 0.16 0.00 0.00 175.35 174.59 2kzn s LEU 79 N 0.99 3.97 -0.20 5.43 2.96 -1.26 -1.30 118.68 129.27 2kzn s LEU 79 Ca 0.10 2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 56.10 2kzn s LEU 79 Cb -0.19 -4.34 0.10 0.00 0.50 0.00 0.00 46.19 42.26 2kzn s LEU 79 CO -0.10 -0.81 0.29 -0.62 -1.32 0.00 0.00 176.35 173.79 2kzn s ASP 80 N -1.61 0.71 0.00 3.68 2.15 0.28 -4.94 116.67 116.94 2kzn s ASP 80 Ca 0.64 0.17 0.22 0.00 0.43 0.00 0.00 52.55 54.00 2kzn s ASP 80 Cb -0.23 0.73 -0.11 0.00 -0.30 0.00 0.00 42.92 43.00 2kzn s ASP 80 CO 0.28 -0.29 0.99 0.35 -0.17 0.00 0.00 175.17 176.33 2kzn n THR 81 N 5.34 0.00 0.51 1.71 -2.24 -1.26 -2.88 114.28 115.47 2kzn n THR 81 Ca -0.05 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2kzn n THR 81 Cb 0.50 1.04 0.30 0.00 -2.10 0.00 0.00 70.33 70.07 2kzn n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kzn n SER 82 N -1.03 0.00 0.25 3.42 7.64 -1.26 -2.11 113.62 120.53 2kzn n SER 82 Ca 0.06 0.42 0.09 0.00 1.01 0.00 0.00 58.87 60.45 2kzn n SER 82 Cb 0.37 -0.46 0.64 0.00 -1.01 0.00 0.00 64.21 63.76 2kzn n SER 82 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kzn h HIS 83 N 0.00 0.00 0.00 1.43 2.76 -1.97 -3.46 115.15 113.91 2kzn h HIS 83 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kzn h HIS 83 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2kzn h HIS 83 CO 0.00 0.10 0.00 0.41 -1.30 0.00 0.00 177.93 177.14 2kzn n GLY 84 N -1.13 2.68 3.23 5.26 0.00 -0.89 -5.07 105.19 109.27 2kzn n GLY 84 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.44 1.12 0.01 1.61 -1.94 -1.25 -5.12 119.30 113.29 2kzn s MET 85 Ca 0.00 -1.55 -0.30 0.00 -1.71 0.00 0.00 55.69 52.13 2kzn s MET 85 Cb 0.00 -0.13 -0.06 0.00 2.01 0.00 0.00 34.83 36.65 2kzn s MET 85 CO 0.00 -0.20 1.52 0.42 -0.01 0.00 0.00 175.02 176.75 2kzn s ILE 86 N -3.78 3.47 -0.26 2.53 -1.09 -1.26 -4.30 121.20 116.50 2kzn s ILE 86 Ca 0.27 0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 59.39 2kzn s ILE 86 Cb 0.07 -3.54 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 2kzn s ILE 86 CO 0.05 -0.01 0.64 -0.60 -1.23 0.00 0.00 174.94 173.79 2kzn s ARG 87 N 2.72 0.65 0.05 2.79 3.00 -1.14 -4.87 118.95 122.16 2kzn s ARG 87 Ca 0.68 1.17 0.09 0.00 -1.00 0.00 0.00 55.73 56.68 2kzn s ARG 87 Cb -0.34 0.17 -0.03 0.00 0.00 0.00 0.00 34.95 34.74 2kzn s ARG 87 CO 0.29 -0.16 -0.26 0.99 0.00 0.00 0.00 175.30 176.16 2kzn s THR 88 N 1.70 2.11 -0.06 4.11 2.01 -1.08 -0.55 115.64 123.88 2kzn s THR 88 Ca -0.10 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 60.50 2kzn s THR 88 Cb -0.06 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.66 2kzn s THR 88 CO -0.19 0.32 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.30 2kzn s GLU 89 N -1.33 1.12 -0.38 4.92 2.12 -0.42 -1.23 118.70 123.51 2kzn s GLU 89 Ca 0.12 -0.19 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 2kzn s GLU 89 Cb -0.10 -1.07 0.01 0.00 0.26 0.00 0.00 34.13 33.23 2kzn s GLU 89 CO 0.02 -0.08 0.75 0.14 -0.54 0.00 0.00 175.26 175.55 2kzn s VAL 90 N 0.98 4.75 -0.28 3.70 -7.23 -0.48 -1.19 120.40 120.65 2kzn s VAL 90 Ca -0.10 0.72 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 2kzn s VAL 90 Cb -0.14 -4.20 0.10 0.00 0.56 0.00 0.00 36.38 32.70 2kzn s VAL 90 CO 0.00 -0.46 0.83 0.00 -0.31 0.00 0.00 175.10 175.16 2kzn s ARG 91 N 3.05 0.60 0.71 4.82 1.70 0.16 -2.69 118.95 127.28 2kzn s ARG 91 Ca 0.29 0.94 -0.03 0.00 -0.47 0.00 0.00 55.73 56.46 2kzn s ARG 91 Cb -0.13 0.17 0.11 0.00 -0.57 0.00 0.00 34.95 34.52 2kzn s ARG 91 CO 0.18 -0.11 0.98 0.45 -1.08 0.00 0.00 175.30 175.72 2kzn s SER 92 N 1.19 4.48 -0.07 -2.89 0.15 -1.10 -4.50 113.70 110.95 2kzn s SER 92 Ca -0.07 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.26 2kzn s SER 92 Cb -0.05 -0.35 -0.15 0.00 -1.71 0.00 0.00 66.02 63.76 2kzn s SER 92 CO -0.14 -1.77 0.73 0.03 1.20 0.00 0.00 173.24 173.30 2kzn h ARG 93 N -0.52 -0.14 0.00 5.44 3.08 -1.99 -3.05 114.38 117.20 2kzn h ARG 93 Ca -0.39 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2kzn h ARG 93 Cb 1.28 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2kzn h ARG 93 CO 0.45 0.34 -0.02 1.15 -1.07 0.00 0.00 179.97 180.82 2kzn h THR 94 N -0.90 0.00 0.00 2.04 2.02 -2.04 -3.45 112.91 110.58 2kzn h THR 94 Ca -0.01 -0.49 -0.25 0.00 0.77 0.00 0.00 66.41 66.43 2kzn h THR 94 Cb 0.54 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2kzn h THR 94 CO 0.02 0.00 -1.90 0.00 0.37 0.00 0.00 175.52 174.02 2kzn n ALA 95 N -2.42 1.78 1.05 6.16 0.00 -1.26 -4.72 120.51 121.09 2kzn n ALA 95 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2kzn n ALA 95 Cb 0.01 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.29 0.56 0.12 0.00 8.00 -1.26 -3.29 116.55 117.40 2kzn n ASP 96 Ca -0.30 -1.61 0.09 0.00 0.71 0.00 0.00 54.79 53.69 2kzn n ASP 96 Cb 0.77 -0.28 0.46 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.08 0.47 0.15 -2.24 3.41 -1.15 -2.70 113.62 111.46 2kzn n SER 97 Ca 0.00 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2kzn n SER 97 Cb 0.14 -0.76 0.48 0.00 -0.26 0.00 0.00 64.21 63.81 2kzn n SER 97 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2kzn h HIS 98 N 0.00 0.00 0.00 7.33 2.07 -1.88 -3.41 115.15 119.26 2kzn h HIS 98 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kzn h HIS 98 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 2kzn h HIS 98 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2kzn n LEU 99 N -2.40 0.00 0.00 6.12 4.77 -1.13 -4.72 117.00 119.64 2kzn n LEU 99 Ca 0.03 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2kzn n LEU 99 Cb 0.30 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2kzn n LEU 99 CO 0.24 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2kzn n GLY 100 N -0.73 -0.80 3.20 -0.72 0.00 -1.10 -2.38 105.19 102.67 2kzn n GLY 100 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 1.76 -0.02 1.61 3.76 -0.53 -1.38 115.29 117.50 2kzn s HIS 101 Ca 0.00 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2kzn s HIS 101 Cb 0.00 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.55 2kzn s HIS 101 CO 0.00 -0.03 -0.08 0.14 -0.85 0.00 0.00 174.74 173.92 2kzn s VAL 102 N -0.45 0.66 0.12 -0.90 -7.23 -0.36 -2.89 120.40 109.34 2kzn s VAL 102 Ca 0.07 -0.32 0.09 0.00 -1.81 0.00 0.00 61.98 60.02 2kzn s VAL 102 Cb -0.08 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 2kzn s VAL 102 CO -0.01 0.20 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.40 2kzn s PHE 103 N 0.06 1.96 -2.07 2.82 0.08 -1.21 -2.63 117.98 117.00 2kzn s PHE 103 Ca -0.01 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 56.81 2kzn s PHE 103 Cb -0.06 -1.06 0.93 0.00 -0.57 0.00 0.00 43.02 42.25 2kzn s PHE 103 CO -0.00 0.26 1.61 0.09 -0.10 0.00 0.00 175.22 177.08 2kzn n ASN 104 N 0.97 0.46 0.14 1.36 3.02 -1.26 -0.50 115.26 119.44 2kzn n ASN 104 Ca -0.19 -1.54 0.10 0.00 -0.03 0.00 0.00 54.58 52.92 2kzn n ASN 104 Cb 0.54 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.73 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2kzn h ASP 105 N 0.60 0.00 -3.22 6.41 3.58 -1.95 -3.47 116.42 118.36 2kzn h ASP 105 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 2kzn h ASP 105 Cb 0.13 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.09 2kzn h ASP 105 CO 0.00 0.09 -0.27 -0.83 -2.88 0.00 0.00 179.24 175.35 2kzn s GLY 106 N -4.36 2.30 0.10 -0.78 0.00 -1.11 -5.05 107.32 98.42 2kzn s GLY 106 Ca 0.02 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.07 2kzn s GLY 106 CO 0.75 0.43 1.43 -4.14 0.00 0.00 0.00 173.10 171.57 2kzn s PRO 107 N 0.19 4.29 0.15 2.90 0.02 -1.26 -4.09 135.00 137.20 2kzn s PRO 107 Ca 0.20 2.10 -0.24 0.00 0.02 0.00 0.00 61.00 63.08 2kzn s PRO 107 Cb -0.14 -3.32 0.06 0.00 0.02 0.00 0.00 34.50 31.12 2kzn s PRO 107 CO 0.07 -0.50 0.83 0.20 -0.33 0.00 0.00 177.00 177.27 2kzn s GLY 108 N 1.34 -0.31 0.26 0.52 0.00 -1.26 -4.80 107.32 103.08 2kzn s GLY 108 Ca 0.66 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 45.61 2kzn s GLY 108 CO 0.30 0.07 1.76 -0.56 0.00 0.00 0.00 173.10 174.67 2kzn h PRO 109 N 2.00 0.78 0.01 2.90 0.13 -1.89 -2.69 132.00 133.24 2kzn h PRO 109 Ca -0.24 -0.21 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 2kzn h PRO 109 Cb 1.25 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kzn h PRO 109 CO 0.28 0.80 -1.19 -0.97 -0.23 0.00 0.00 178.00 176.69 2kzn h ASN 110 N 0.73 0.03 0.00 1.44 -1.24 -1.97 -3.48 115.58 111.08 2kzn h ASN 110 Ca 0.14 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2kzn h ASN 110 Cb 0.46 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2kzn h ASN 110 CO 0.02 1.03 0.00 0.61 -1.29 0.00 0.00 177.43 177.80 2kzn n GLY 111 N 1.41 1.12 3.64 1.57 0.00 -1.01 -5.11 105.19 106.80 2kzn n GLY 111 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 3.20 -0.41 0.99 1.43 -1.26 -4.14 118.68 118.50 2kzn s LEU 112 Ca 0.00 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 2kzn s LEU 112 Cb 0.00 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.49 2kzn s LEU 112 CO 0.00 0.06 0.23 -0.60 0.23 0.00 0.00 176.35 176.27 2kzn s ARG 113 N -3.21 2.55 -0.88 1.70 3.00 0.34 -4.32 118.95 118.13 2kzn s ARG 113 Ca 0.28 -1.45 -0.25 0.00 -1.00 0.00 0.00 55.73 53.31 2kzn s ARG 113 Cb -0.08 -3.71 0.03 0.00 0.00 0.00 0.00 34.95 31.18 2kzn s ARG 113 CO 0.18 -0.92 1.49 -0.47 0.00 0.00 0.00 175.30 175.58 2kzn s TYR 114 N 1.39 2.29 -0.35 5.12 5.04 -0.63 -3.30 117.35 126.92 2kzn s TYR 114 Ca 0.03 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 2kzn s TYR 114 Cb -0.22 -4.55 0.09 0.00 0.35 0.00 0.00 41.96 37.62 2kzn s TYR 114 CO 0.02 -1.99 0.07 0.00 -1.34 0.00 0.00 175.55 172.30 2kzn s ILE 116 N 1.07 4.48 -0.04 0.00 -1.09 -1.22 -1.45 121.20 122.95 2kzn s ILE 116 Ca 0.05 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.47 2kzn s ILE 116 Cb -0.21 -3.12 -0.07 0.00 -1.58 0.00 0.00 42.46 37.49 2kzn s ILE 116 CO -0.05 0.20 1.80 0.20 -1.23 0.00 0.00 174.94 175.86 2kzn s ASN 117 N -2.16 6.50 0.50 3.58 0.01 -1.00 -4.40 114.94 117.97 2kzn s ASN 117 Ca 0.27 2.34 0.21 0.00 -0.71 0.00 0.00 52.86 54.97 2kzn s ASN 117 Cb -0.12 -2.53 1.28 0.00 0.41 0.00 0.00 41.25 40.29 2kzn s ASN 117 CO 0.19 -1.05 2.07 -1.28 -1.51 0.00 0.00 177.10 175.51 2kzn h SER 118 N 10.31 0.00 1.00 -1.22 0.87 -1.93 -0.77 113.55 121.82 2kzn h SER 118 Ca -0.43 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.07 2kzn h SER 118 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2kzn h SER 118 CO 0.95 0.12 -0.29 0.00 -0.53 0.00 0.00 176.83 177.08 2kzn h ALA 119 N 1.88 0.97 0.00 6.23 0.00 -1.91 -3.16 119.26 123.27 2kzn h ALA 119 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2kzn h ALA 119 Cb 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kzn h ALA 119 CO 0.02 0.37 -0.73 0.00 0.00 0.00 0.00 179.25 178.90 2kzn h ALA 120 N 1.71 0.60 -2.22 0.00 0.00 -1.48 -3.45 119.26 114.42 2kzn h ALA 120 Ca -0.00 -0.62 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 2kzn h ALA 120 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kzn h ALA 120 CO 0.04 0.82 0.21 -0.51 0.00 0.00 0.00 179.25 179.81 2kzn s LEU 121 N -6.44 3.92 -0.16 0.00 1.43 -1.09 -1.36 118.68 114.98 2kzn s LEU 121 Ca 0.02 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2kzn s LEU 121 Cb 0.08 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 42.08 2kzn s LEU 121 CO 0.77 -0.34 0.01 -0.60 0.23 0.00 0.00 176.35 176.42 2kzn s ARG 122 N -3.36 0.79 -0.15 1.70 6.06 0.12 -4.75 118.95 119.37 2kzn s ARG 122 Ca 0.57 -0.30 -0.29 0.00 -2.50 0.00 0.00 55.73 53.21 2kzn s ARG 122 Cb -0.10 -1.78 -0.04 0.00 0.06 0.00 0.00 34.95 33.09 2kzn s ARG 122 CO 0.21 -0.51 1.70 -0.59 -2.50 0.00 0.00 175.30 173.60 2kzn s PHE 123 N 1.85 1.94 -0.34 5.12 -0.71 -1.26 -1.79 117.98 122.79 2kzn s PHE 123 Ca 0.01 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 2kzn s PHE 123 Cb -0.15 -3.97 0.10 0.00 -1.21 0.00 0.00 43.02 37.79 2kzn s PHE 123 CO -0.07 -3.48 0.09 0.08 -1.34 0.00 0.00 175.22 170.50 2kzn s VAL 124 N 5.02 1.57 0.84 -2.49 1.01 -0.70 -4.99 120.40 120.66 2kzn s VAL 124 Ca 0.75 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 2kzn s VAL 124 Cb -0.29 -2.17 0.10 0.00 0.00 0.00 0.00 36.38 34.02 2kzn s VAL 124 CO 0.30 -0.66 1.10 -2.16 0.00 0.00 0.00 175.10 173.69 2kzn s PRO 125 N 1.18 1.68 0.54 2.72 0.04 -1.25 -1.54 135.00 138.37 2kzn s PRO 125 Ca 0.11 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.59 2kzn s PRO 125 Cb -0.19 -1.83 1.43 0.00 0.04 0.00 0.00 34.50 33.95 2kzn s PRO 125 CO -0.16 -2.05 2.02 0.87 0.04 0.00 0.00 177.00 177.72 2kzn h LYS 126 N -1.43 0.00 -0.73 4.56 1.57 -1.94 0.12 116.57 118.72 2kzn h LYS 126 Ca -0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2kzn h LYS 126 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 2kzn h LYS 126 CO 0.50 0.00 0.45 0.45 -0.57 0.00 0.00 179.45 180.27 2kzn h HIS 127 N 0.00 0.95 0.00 -1.35 3.86 -1.91 -2.35 115.15 114.35 2kzn h HIS 127 Ca 0.20 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2kzn h HIS 127 Cb 0.84 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2kzn h HIS 127 CO 0.00 0.63 -1.58 1.63 0.86 0.00 0.00 177.93 179.47 2kzn n LYS 128 N -4.40 0.64 -0.13 2.45 4.76 0.11 -4.31 118.16 117.28 2kzn n LYS 128 Ca 0.08 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 2kzn n LYS 128 Cb 0.06 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 31.56 2kzn n LYS 128 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2kzn h LEU 129 N 0.00 0.84 -1.93 -0.35 3.38 -0.54 0.13 115.31 116.83 2kzn h LEU 129 Ca -0.06 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kzn h LEU 129 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2kzn h LEU 129 CO 0.01 1.05 0.00 0.07 0.09 0.00 0.00 178.44 179.65 2kzn h LYS 130 N 0.62 0.00 0.12 1.13 5.09 -1.62 0.69 116.57 122.60 2kzn h LYS 130 Ca 0.09 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.52 2kzn h LYS 130 Cb 0.72 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.04 2kzn h LYS 130 CO 0.05 0.00 -1.65 0.93 -2.09 0.00 0.00 179.45 176.70 2kzn h GLU 131 N 0.00 0.25 -0.49 0.07 4.39 -1.68 -3.43 114.58 113.69 2kzn h GLU 131 Ca 0.00 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 2kzn h GLU 131 Cb 0.22 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2kzn h GLU 131 CO 0.00 1.20 0.04 -1.91 -1.16 0.00 0.00 179.01 177.18 2kzn n GLU 132 N -3.78 3.95 0.00 2.33 4.07 0.41 -4.87 120.64 122.75 2kzn n GLU 132 Ca -0.28 -3.05 0.00 0.00 -0.06 0.00 0.00 57.16 53.77 2kzn n GLU 132 Cb 0.95 -2.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 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 0.05 0.70 0.59 8.31 0.00 0.70 -4.93 105.19 110.62 2kzn n GLY 133 Ca 0.28 -0.43 0.40 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 1.61 -0.00 -0.07 -0.32 116.97 118.19 2kzn h TYR 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kzn h TYR 134 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2kzn h TYR 134 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 2kzn h GLU 135 N 0.00 0.00 -0.01 0.10 5.08 -1.94 0.47 114.58 118.29 2kzn h GLU 135 Ca 0.67 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.86 2kzn h GLU 135 Cb 2.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 32.11 2kzn h GLU 135 CO -0.01 0.00 -0.65 1.03 -1.00 0.00 0.00 179.01 178.38 2kzn h SER 136 N 0.00 0.59 0.00 1.42 0.87 -1.43 -3.35 113.55 111.65 2kzn h SER 136 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2kzn h SER 136 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2kzn h SER 136 CO 0.00 1.26 -0.45 0.00 -0.53 0.00 0.00 176.83 177.11 2kzn n TYR 137 N -4.17 0.00 0.34 2.24 9.36 -0.89 -4.42 117.16 119.61 2kzn n TYR 137 Ca -0.10 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.34 2kzn n TYR 137 Cb 0.70 -0.22 1.20 0.00 -0.63 0.00 0.00 39.34 40.38 2kzn n TYR 137 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2kzn h LEU 138 N -0.45 0.00 0.00 2.98 4.07 -0.33 0.92 115.31 122.50 2kzn h LEU 138 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2kzn h LEU 138 Cb 0.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2kzn h LEU 138 CO 0.00 0.00 -0.60 -0.74 -1.08 0.00 0.00 178.44 176.02 2kzn h HIS 139 N 0.00 0.00 -0.01 1.13 2.76 -1.68 -3.32 115.15 114.03 2kzn h HIS 139 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kzn h HIS 139 Cb 0.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2kzn h HIS 139 CO 0.00 0.80 0.01 -0.07 -1.30 0.00 0.00 177.93 177.37 2kzn h LEU 140 N -1.00 0.02 -1.08 0.26 3.38 -1.33 -2.96 115.31 112.59 2kzn h LEU 140 Ca -0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2kzn h LEU 140 Cb 0.85 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2kzn h LEU 140 CO -0.08 0.10 -0.13 0.15 0.09 0.00 0.00 178.44 178.57 2kzn h PHE 141 N -0.07 0.54 -0.77 1.13 3.57 -1.14 -3.35 116.94 116.86 2kzn h PHE 141 Ca 0.00 -0.08 -0.60 0.00 3.53 0.00 0.00 57.97 60.82 2kzn h PHE 141 Cb 0.09 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 2kzn h PHE 141 CO -0.05 0.62 1.93 1.21 -2.23 0.00 0.00 178.31 179.79 2kzn s ASN 142 N -6.77 6.40 0.00 0.41 2.47 -1.12 -4.71 114.94 111.62 2kzn s ASN 142 Ca -0.07 -2.26 0.28 0.00 0.42 0.00 0.00 52.86 51.22 2kzn s ASN 142 Cb 0.15 -2.58 1.20 0.00 -1.45 0.00 0.00 41.25 38.56 2kzn s ASN 142 CO 0.78 -1.63 1.89 2.29 -3.72 0.00 0.00 177.10 176.71 2kzn n LYS 143 N 8.37 0.01 -1.80 0.43 2.85 -1.26 -4.81 118.16 121.94 2kzn n LYS 143 Ca 0.48 0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 57.33 2kzn n LYS 143 Cb 0.46 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 2kzn n LYS 143 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kzn s LEU 144 N -2.99 4.00 -0.92 -5.58 2.96 -1.26 -4.93 118.68 109.96 2kzn s LEU 144 Ca 0.14 2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 55.96 2kzn s LEU 144 Cb 0.18 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.43 2kzn s LEU 144 CO 0.51 -1.35 1.25 -0.70 -1.32 0.00 0.00 176.35 174.74 2kzn s GLU 145 N 5.01 3.50 -0.55 1.98 2.12 -1.26 -4.92 118.70 124.58 2kzn s GLU 145 Ca 0.86 -1.27 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2kzn s GLU 145 Cb -0.34 -4.96 0.14 0.00 0.26 0.00 0.00 34.13 29.23 2kzn s GLU 145 CO 0.35 -1.99 0.32 -1.58 -0.54 0.00 0.00 175.26 171.82 2kzn s HIS 146 N 4.04 3.02 -2.00 5.30 2.46 -1.26 -5.32 115.29 121.52 2kzn s HIS 146 Ca 0.37 -3.07 0.10 0.00 0.47 0.00 0.00 55.06 52.93 2kzn s HIS 146 Cb -0.04 -2.58 0.62 0.00 -0.13 0.00 0.00 32.58 30.45 2kzn s HIS 146 CO -0.05 -0.70 1.07 1.58 -2.47 0.00 0.00 174.74 174.16