#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kzn n ALA 2 N 0.00 0.28 -3.53 3.17 0.00 -1.26 -5.16 120.51 114.02 2kzn n ALA 2 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 2kzn n ALA 2 Cb 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 2kzn n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kzn s TYR 3 N -2.45 0.16 -0.13 0.00 1.13 -1.26 -5.12 117.35 109.69 2kzn s TYR 3 Ca 0.14 -0.64 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 2kzn s TYR 3 Cb 0.01 -0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 40.06 2kzn s TYR 3 CO 0.10 -0.78 -0.07 -0.80 -2.51 0.00 0.00 175.55 171.49 2kzn s ASN 4 N 2.15 4.55 0.47 -0.18 -0.87 -1.26 -5.03 114.94 114.77 2kzn s ASN 4 Ca 0.08 -0.16 0.14 0.00 -1.57 0.00 0.00 52.86 51.35 2kzn s ASN 4 Cb -0.16 -1.60 1.11 0.00 -0.02 0.00 0.00 41.25 40.59 2kzn s ASN 4 CO -0.31 0.21 2.07 0.11 -2.57 0.00 0.00 177.10 176.61 2kzn h LYS 5 N 6.38 0.25 -0.66 -0.60 1.57 -2.01 -0.47 116.57 121.03 2kzn h LYS 5 Ca -0.33 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 2kzn h LYS 5 Cb 1.19 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 2kzn h LYS 5 CO 0.59 0.16 0.43 1.05 -0.57 0.00 0.00 179.45 181.11 2kzn h GLU 6 N 0.26 0.70 -0.43 3.15 4.11 -1.98 -1.29 114.58 119.09 2kzn h GLU 6 Ca 0.14 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.55 2kzn h GLU 6 Cb 0.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2kzn h GLU 6 CO -0.03 0.46 0.25 1.49 0.07 0.00 0.00 179.01 181.26 2kzn h GLU 7 N 0.72 0.49 -0.44 1.06 4.81 -1.50 0.17 114.58 119.89 2kzn h GLU 7 Ca 0.27 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2kzn h GLU 7 Cb 0.18 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2kzn h GLU 7 CO -0.08 0.33 0.10 0.87 -0.73 0.00 0.00 179.01 179.50 2kzn h LYS 8 N 0.51 0.71 -0.35 1.92 6.56 -1.38 -1.78 116.57 122.76 2kzn h LYS 8 Ca 0.17 -0.17 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kzn h LYS 8 Cb 0.02 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 2kzn h LYS 8 CO -0.08 0.72 0.21 0.82 -2.06 0.00 0.00 179.45 179.05 2kzn h ILE 9 N 0.58 1.11 -0.43 1.86 1.08 -1.15 -1.28 117.51 119.29 2kzn h ILE 9 Ca 0.14 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2kzn h ILE 9 Cb 0.33 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 2kzn h ILE 9 CO 0.00 0.11 -0.16 0.11 -0.69 0.00 0.00 178.15 177.53 2kzn h LYS 10 N 0.45 0.81 0.68 2.37 1.57 -0.61 0.13 116.57 121.96 2kzn h LYS 10 Ca 0.12 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2kzn h LYS 10 Cb 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2kzn h LYS 10 CO -0.02 0.91 -0.33 0.77 -0.57 0.00 0.00 179.45 180.21 2kzn h SER 11 N 0.72 -0.77 -0.81 0.86 0.02 -1.34 -3.28 113.55 108.95 2kzn h SER 11 Ca 0.11 -0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.25 2kzn h SER 11 Cb 0.66 0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.27 2kzn h SER 11 CO 0.05 -0.44 0.22 0.25 -1.14 0.00 0.00 176.83 175.76 2kzn h LEU 12 N -1.10 0.04 -1.64 5.07 5.85 -1.00 -1.88 115.31 120.65 2kzn h LEU 12 Ca -0.09 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kzn h LEU 12 Cb 0.73 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2kzn h LEU 12 CO 0.15 -0.07 -0.20 0.78 -0.34 0.00 0.00 178.44 178.76 2kzn h ASN 13 N 0.26 0.00 0.08 1.25 -0.26 -0.82 -0.73 115.58 115.36 2kzn h ASN 13 Ca 0.48 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.09 2kzn h ASN 13 Cb 0.88 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2kzn h ASN 13 CO -0.57 0.20 -0.42 0.03 -1.06 0.00 0.00 177.43 175.61 2kzn h ARG 14 N 0.00 0.43 0.45 0.81 3.08 -1.40 -1.12 114.38 116.63 2kzn h ARG 14 Ca -0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 2kzn h ARG 14 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2kzn h ARG 14 CO 0.03 0.78 -0.22 0.52 -1.07 0.00 0.00 179.97 180.00 2kzn h MET 15 N 0.36 -0.58 0.04 0.04 2.86 -1.24 -3.09 114.93 113.31 2kzn h MET 15 Ca 0.03 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kzn h MET 15 Cb 0.88 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2kzn h MET 15 CO 0.07 -0.39 -0.07 1.96 1.06 0.00 0.00 176.91 179.55 2kzn h GLN 16 N -1.14 -0.14 -0.51 1.72 4.20 -1.26 0.39 115.11 118.36 2kzn h GLN 16 Ca -0.06 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.69 2kzn h GLN 16 Cb 0.46 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2kzn h GLN 16 CO 0.10 -0.09 0.29 -0.92 -0.67 0.00 0.00 178.83 177.54 2kzn h TYR 17 N -0.14 0.54 -0.21 2.96 3.20 -1.38 0.85 116.97 122.78 2kzn h TYR 17 Ca 0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2kzn h TYR 17 Cb 0.16 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2kzn h TYR 17 CO -0.12 0.30 -0.24 1.49 -1.64 0.00 0.00 178.16 177.94 2kzn h GLU 18 N 0.57 0.40 0.03 1.82 4.81 -1.37 -2.72 114.58 118.12 2kzn h GLU 18 Ca 0.21 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2kzn h GLU 18 Cb 0.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kzn h GLU 18 CO -0.11 0.61 -0.02 0.28 -0.73 0.00 0.00 179.01 179.04 2kzn h VAL 19 N 0.35 0.00 -0.66 0.32 2.07 -0.49 -3.13 116.25 114.70 2kzn h VAL 19 Ca 0.06 -0.50 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2kzn h VAL 19 Cb 0.62 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2kzn h VAL 19 CO 0.04 0.00 0.45 0.74 0.02 0.00 0.00 177.57 178.82 2kzn h THR 20 N -0.54 0.86 0.00 2.57 2.02 -0.96 0.44 112.91 117.29 2kzn h THR 20 Ca -0.00 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2kzn h THR 20 Cb 0.03 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2kzn h THR 20 CO 0.01 0.08 -0.69 -0.61 0.37 0.00 0.00 175.52 174.67 2kzn h GLN 21 N 0.42 0.00 -0.01 6.66 -0.00 -1.65 -3.09 115.11 117.44 2kzn h GLN 21 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 2kzn h GLN 21 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.14 2kzn h GLN 21 CO -0.09 0.62 -0.66 -1.71 0.00 0.00 0.00 178.83 176.98 2kzn n ASN 22 N -3.24 1.18 -2.26 -0.69 5.15 -0.58 -4.95 115.26 109.87 2kzn n ASN 22 Ca 0.01 -0.97 -0.13 0.00 -0.60 0.00 0.00 54.58 52.88 2kzn n ASN 22 Cb 0.80 0.60 -0.01 0.00 -0.53 0.00 0.00 39.78 40.63 2kzn n ASN 22 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kzn n ASN 23 N -0.99 -4.05 -3.89 1.20 0.23 0.13 -4.97 115.26 102.92 2kzn n ASN 23 Ca 0.07 0.20 -0.30 0.00 -0.53 0.00 0.00 54.58 54.01 2kzn n ASN 23 Cb 0.37 -3.48 0.22 0.00 -2.08 0.00 0.00 39.78 34.81 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2kzn s GLY 24 N -2.05 1.67 -0.04 4.83 0.00 -0.05 -4.97 107.32 106.72 2kzn s GLY 24 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 2kzn s GLY 24 CO 0.00 -0.24 0.25 -1.08 0.00 0.00 0.00 173.10 172.03 2kzn s THR 25 N -3.40 0.04 0.12 0.90 -1.32 -1.26 -4.75 115.64 105.98 2kzn s THR 25 Ca 0.73 -0.36 0.07 0.00 -1.21 0.00 0.00 61.69 60.92 2kzn s THR 25 Cb -0.07 -0.48 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 2kzn s THR 25 CO 0.55 -0.20 -0.10 -1.61 -2.21 0.00 0.00 174.62 171.05 2kzn s GLU 26 N -0.81 2.10 0.43 7.08 2.02 -1.26 -5.12 118.70 123.14 2kzn s GLU 26 Ca -0.09 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 53.58 2kzn s GLU 26 Cb -0.05 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 2kzn s GLU 26 CO 0.02 0.50 1.24 -0.35 0.02 0.00 0.00 175.26 176.69 2kzn n PRO 27 N 0.60 1.83 -1.62 0.39 -0.04 -1.26 -4.79 135.00 130.11 2kzn n PRO 27 Ca -0.13 0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 63.83 2kzn n PRO 27 Cb 0.53 -2.35 -0.09 0.00 -0.04 0.00 0.00 33.50 31.54 2kzn n PRO 27 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2kzn s PRO 28 N -2.23 1.41 0.25 0.54 0.02 -1.26 -4.72 135.00 129.01 2kzn s PRO 28 Ca 0.62 -0.11 0.04 0.00 0.02 0.00 0.00 61.00 61.57 2kzn s PRO 28 Cb -0.51 -4.92 0.31 0.00 0.02 0.00 0.00 34.50 29.40 2kzn s PRO 28 CO 0.57 -5.01 1.61 0.74 -0.33 0.00 0.00 177.00 174.58 2kzn h PHE 29 N 11.93 0.36 0.54 6.54 0.04 -1.96 -3.34 116.94 131.06 2kzn h PHE 29 Ca 0.02 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2kzn h PHE 29 Cb 1.00 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.08 2kzn h PHE 29 CO 1.08 0.74 -0.26 0.37 -0.60 0.00 0.00 178.31 179.65 2kzn h GLN 30 N 0.23 -0.70 -2.03 1.51 4.15 -1.92 -3.47 115.11 112.87 2kzn h GLN 30 Ca 0.01 0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 2kzn h GLN 30 Cb 0.98 0.16 -0.20 0.00 0.21 0.00 0.00 27.48 28.63 2kzn h GLN 30 CO 0.08 -0.47 0.15 1.21 -1.93 0.00 0.00 178.83 177.87 2kzn s ASN 31 N -3.51 -0.68 0.07 -0.69 3.04 -1.25 -5.06 114.94 106.86 2kzn s ASN 31 Ca -0.11 0.98 -0.30 0.00 0.04 0.00 0.00 52.86 53.48 2kzn s ASN 31 Cb 0.01 0.89 -0.14 0.00 -1.54 0.00 0.00 41.25 40.47 2kzn s ASN 31 CO 0.32 -0.46 1.46 -0.33 -3.04 0.00 0.00 177.10 175.05 2kzn h GLU 32 N 3.81 -0.81 -0.09 0.43 4.39 -1.93 -3.03 114.58 117.35 2kzn h GLU 32 Ca -0.28 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2kzn h GLU 32 Cb 1.15 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2kzn h GLU 32 CO 0.26 -0.54 0.00 0.66 -1.16 0.00 0.00 179.01 178.23 2kzn n TYR 33 N -4.99 0.23 -3.52 4.33 4.01 -1.26 -4.82 117.16 111.13 2kzn n TYR 33 Ca -0.10 -0.76 -0.20 0.00 -0.16 0.00 0.00 57.90 56.68 2kzn n TYR 33 Cb 0.39 -0.13 0.08 0.00 -0.31 0.00 0.00 39.34 39.36 2kzn n TYR 33 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2kzn n TRP 34 N -0.74 -2.28 0.27 -0.72 8.01 -1.15 -4.89 117.44 115.95 2kzn n TRP 34 Ca 0.12 0.94 0.12 0.00 -1.31 0.00 0.00 57.50 57.37 2kzn n TRP 34 Cb 0.54 -4.93 0.77 0.00 -2.01 0.00 0.00 31.31 25.69 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 -2.05 0.00 -0.71 -0.99 3.32 -1.92 -3.34 116.42 110.73 2kzn h ASP 35 Ca -0.59 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 55.97 2kzn h ASP 35 Cb 1.35 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.84 2kzn h ASP 35 CO 0.53 0.06 1.51 -1.00 -1.72 0.00 0.00 179.24 178.62 2kzn s HIS 36 N -4.55 2.31 -0.57 4.55 3.76 -1.26 -4.74 115.29 114.79 2kzn s HIS 36 Ca -0.04 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2kzn s HIS 36 Cb 0.15 -4.36 0.44 0.00 1.11 0.00 0.00 32.58 29.91 2kzn s HIS 36 CO 0.59 -1.56 1.72 1.17 -0.85 0.00 0.00 174.74 175.81 2kzn n LYS 37 N 8.45 3.02 -0.27 1.40 4.81 -1.26 -4.98 118.16 129.34 2kzn n LYS 37 Ca 0.45 -3.68 0.00 0.00 -0.87 0.00 0.00 58.31 54.21 2kzn n LYS 37 Cb 0.47 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2kzn n LYS 37 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kzn n GLU 38 N -0.77 0.42 -1.82 1.64 -0.58 -1.26 -4.66 120.64 113.61 2kzn n GLU 38 Ca 0.54 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.86 2kzn n GLU 38 Cb 0.69 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.53 2kzn n GLU 38 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2kzn s GLU 39 N -2.37 3.62 0.00 3.49 -1.05 -1.26 -3.80 118.70 117.33 2kzn s GLU 39 Ca 0.00 2.01 0.00 0.00 -0.15 0.00 0.00 54.97 56.83 2kzn s GLU 39 Cb 0.00 -4.20 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 2kzn s GLU 39 CO 0.00 -1.53 0.00 0.41 0.95 0.00 0.00 175.26 175.09 2kzn n GLY 40 N 5.07 -0.66 3.17 -3.83 0.00 -1.26 -1.42 105.19 106.25 2kzn n GLY 40 Ca 0.23 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 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 2.32 -0.40 0.99 1.43 -0.62 -1.79 118.68 120.61 2kzn s LEU 41 Ca 0.00 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 2kzn s LEU 41 Cb 0.00 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.81 2kzn s LEU 41 CO 0.00 -0.14 0.37 -0.47 0.23 0.00 0.00 176.35 176.33 2kzn s TYR 42 N -1.65 3.20 0.26 0.29 6.14 -0.35 -1.24 117.35 124.01 2kzn s TYR 42 Ca -0.00 -0.41 0.04 0.00 0.64 0.00 0.00 57.07 57.34 2kzn s TYR 42 Cb -0.08 -2.73 -0.06 0.00 0.42 0.00 0.00 41.96 39.52 2kzn s TYR 42 CO 0.02 -0.61 0.01 0.14 0.64 0.00 0.00 175.55 175.75 2kzn s VAL 43 N 1.93 1.13 -0.38 3.14 -7.23 -0.85 -0.84 120.40 117.29 2kzn s VAL 43 Ca 0.09 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 2kzn s VAL 43 Cb -0.18 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.32 2kzn s VAL 43 CO 0.12 -0.22 0.20 -0.62 -0.31 0.00 0.00 175.10 174.27 2kzn s ASP 44 N -3.37 5.63 0.50 4.85 2.15 -0.70 -2.41 116.67 123.32 2kzn s ASP 44 Ca 0.31 -1.18 0.25 0.00 0.43 0.00 0.00 52.55 52.36 2kzn s ASP 44 Cb 0.06 -1.98 1.33 0.00 -0.30 0.00 0.00 42.92 42.03 2kzn s ASP 44 CO 0.11 -0.42 1.92 0.40 -0.17 0.00 0.00 175.17 177.01 2kzn h ILE 45 N 5.99 0.66 -0.72 4.11 2.04 -1.75 -0.23 117.51 127.61 2kzn h ILE 45 Ca -0.24 -0.04 0.21 0.00 1.00 0.00 0.00 64.86 65.78 2kzn h ILE 45 Cb 1.09 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2kzn h ILE 45 CO 0.68 0.02 0.63 -0.37 0.00 0.00 0.00 178.15 179.12 2kzn h VAL 46 N 0.13 0.40 0.00 1.67 -1.51 -1.95 -2.63 116.25 112.35 2kzn h VAL 46 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.84 2kzn h VAL 46 Cb 1.28 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 2kzn h VAL 46 CO -0.05 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 174.75 2kzn n SER 47 N -3.90 0.00 -2.86 4.19 3.41 -1.09 -4.97 113.62 108.39 2kzn n SER 47 Ca 0.15 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.54 2kzn n SER 47 Cb 0.90 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.87 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kzn n GLY 48 N 0.00 -0.50 3.59 5.00 0.00 -0.14 -4.95 105.19 108.19 2kzn n GLY 48 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2kzn n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kzn s LYS 49 N -5.58 3.78 -0.02 1.61 -2.85 -0.98 -4.80 119.74 110.90 2kzn s LYS 49 Ca 0.25 0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 55.25 2kzn s LYS 49 Cb -0.11 -3.80 -0.07 0.00 -2.06 0.00 0.00 37.83 31.80 2kzn s LYS 49 CO 0.31 -0.82 1.73 -2.14 0.10 0.00 0.00 175.35 174.53 2kzn s PRO 50 N 3.05 4.17 -0.02 1.78 0.02 -1.26 -1.72 135.00 141.02 2kzn s PRO 50 Ca 0.31 2.31 0.14 0.00 0.02 0.00 0.00 61.00 63.78 2kzn s PRO 50 Cb -0.13 -3.98 -0.21 0.00 0.02 0.00 0.00 34.50 30.20 2kzn s PRO 50 CO 0.16 -0.86 0.36 1.28 -0.33 0.00 0.00 177.00 177.61 2kzn n LEU 51 N 7.02 0.10 -3.51 -5.54 4.77 -0.02 -4.58 117.00 115.23 2kzn n LEU 51 Ca 0.18 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2kzn n LEU 51 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2kzn n LEU 51 CO 0.64 0.02 0.67 0.12 -1.33 0.00 0.00 177.39 177.51 2kzn s PHE 52 N -2.89 -0.38 0.10 -1.77 5.36 -0.96 -0.95 117.98 116.49 2kzn s PHE 52 Ca -0.04 0.36 -0.08 0.00 -0.96 0.00 0.00 56.93 56.21 2kzn s PHE 52 Cb 0.09 0.51 -0.06 0.00 -0.34 0.00 0.00 43.02 43.23 2kzn s PHE 52 CO 0.59 -0.53 0.40 0.99 -1.46 0.00 0.00 175.22 175.22 2kzn s THR 53 N -2.64 5.10 -0.15 0.12 2.01 -1.26 -1.21 115.64 117.61 2kzn s THR 53 Ca 0.02 0.34 0.24 0.00 0.31 0.00 0.00 61.69 62.60 2kzn s THR 53 Cb -0.01 -3.64 0.27 0.00 0.01 0.00 0.00 72.50 69.14 2kzn s THR 53 CO -0.06 0.20 1.70 -1.28 -0.69 0.00 0.00 174.62 174.49 2kzn h SER 54 N 3.41 0.00 -0.96 3.53 0.87 -1.61 -2.54 113.55 116.24 2kzn h SER 54 Ca -0.48 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.21 2kzn h SER 54 Cb 1.18 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.06 2kzn h SER 54 CO 0.68 0.15 0.61 0.11 -0.53 0.00 0.00 176.83 177.85 2kzn h LYS 55 N 0.00 0.86 -0.57 2.24 1.57 -1.73 -2.94 116.57 116.00 2kzn h LYS 55 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kzn h LYS 55 Cb 0.93 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2kzn h LYS 55 CO 0.02 0.57 0.00 -0.25 -0.57 0.00 0.00 179.45 179.22 2kzn n ASP 56 N -4.60 3.26 -4.77 0.86 9.92 -0.96 -4.98 116.55 115.28 2kzn n ASP 56 Ca 0.18 -1.98 -0.39 0.00 -0.53 0.00 0.00 54.79 52.07 2kzn n ASP 56 Cb 0.39 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.45 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kzn s LYS 57 N -1.25 4.47 0.22 -1.24 -0.14 -1.11 -4.98 119.74 115.71 2kzn s LYS 57 Ca 0.41 1.64 -0.05 0.00 -1.36 0.00 0.00 55.97 56.61 2kzn s LYS 57 Cb 0.22 -2.93 -0.03 0.00 -1.68 0.00 0.00 37.83 33.41 2kzn s LYS 57 CO 0.29 0.10 0.26 0.12 -0.76 0.00 0.00 175.35 175.36 2kzn s PHE 58 N -1.38 0.89 -0.01 3.18 5.36 -1.26 -5.08 117.98 119.69 2kzn s PHE 58 Ca 0.50 -1.15 -0.35 0.00 -0.96 0.00 0.00 56.93 54.96 2kzn s PHE 58 Cb -0.27 -0.29 -0.14 0.00 -0.34 0.00 0.00 43.02 41.98 2kzn s PHE 58 CO 0.34 -0.78 1.67 -3.47 -1.46 0.00 0.00 175.22 171.52 2kzn n ASP 59 N -0.37 2.87 -4.27 6.13 2.03 -1.26 -4.99 116.55 116.70 2kzn n ASP 59 Ca 0.01 1.05 -0.38 0.00 0.52 0.00 0.00 54.79 55.98 2kzn n ASP 59 Cb 0.64 -1.32 -0.12 0.00 -0.72 0.00 0.00 41.12 39.60 2kzn n ASP 59 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kzn s SER 60 N 2.36 5.41 0.00 1.67 0.01 -1.26 -4.96 113.70 116.93 2kzn s SER 60 Ca 0.88 -1.29 0.27 0.00 1.31 0.00 0.00 55.95 57.12 2kzn s SER 60 Cb -0.79 -1.90 0.81 0.00 0.21 0.00 0.00 66.02 64.35 2kzn s SER 60 CO 0.49 -0.40 1.60 0.00 0.41 0.00 0.00 173.24 175.34 2kzn n GLN 61 N 4.83 0.94 0.00 12.44 10.64 -1.26 -3.91 117.38 141.06 2kzn n GLN 61 Ca -0.11 -0.55 0.14 0.00 -1.83 0.00 0.00 57.00 54.65 2kzn n GLN 61 Cb 0.44 -1.49 0.52 0.00 -0.86 0.00 0.00 30.24 28.85 2kzn n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kzn n GLY 63 N 1.22 1.88 3.72 0.00 0.00 -1.25 -4.90 105.19 105.85 2kzn n GLY 63 Ca 0.17 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2kzn n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kzn s TRP 64 N 0.00 3.49 -0.21 1.61 0.51 -1.26 -4.86 118.94 118.22 2kzn s TRP 64 Ca 0.00 1.40 -0.35 0.00 -2.12 0.00 0.00 56.10 55.03 2kzn s TRP 64 Cb 0.00 -3.36 -0.12 0.00 -0.81 0.00 0.00 33.47 29.19 2kzn s TRP 64 CO 0.00 -1.00 1.98 -2.30 -0.51 0.00 0.00 176.95 175.12 2kzn n PRO 65 N 3.65 1.66 -3.97 4.98 -0.02 -1.23 -4.81 135.00 135.27 2kzn n PRO 65 Ca 0.07 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 2kzn n PRO 65 Cb 0.47 -2.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 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 5.34 3.53 0.19 2.55 0.01 -1.25 -3.21 113.70 120.85 2kzn s SER 66 Ca 0.99 -0.98 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 2kzn s SER 66 Cb -0.77 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 2kzn s SER 66 CO 0.52 -0.18 0.25 0.12 0.41 0.00 0.00 173.24 174.36 2kzn s PHE 67 N 1.41 0.69 -2.82 2.43 5.36 -1.21 -4.96 117.98 118.88 2kzn s PHE 67 Ca -0.03 -1.01 0.23 0.00 -0.96 0.00 0.00 56.93 55.16 2kzn s PHE 67 Cb -0.17 -0.21 0.17 0.00 -0.34 0.00 0.00 43.02 42.46 2kzn s PHE 67 CO -0.07 -0.73 1.22 0.25 -1.46 0.00 0.00 175.22 174.42 2kzn n THR 68 N -0.25 0.00 -3.69 0.12 -2.24 -1.26 -1.12 114.28 105.84 2kzn n THR 68 Ca -0.03 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 2kzn n THR 68 Cb 0.64 1.46 -0.13 0.00 -2.10 0.00 0.00 70.33 70.20 2kzn n THR 68 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kzn s LYS 69 N -1.96 1.07 0.61 -0.78 2.20 -1.26 -3.43 119.74 116.19 2kzn s LYS 69 Ca 0.26 -1.71 -0.08 0.00 -0.36 0.00 0.00 55.97 54.08 2kzn s LYS 69 Cb 0.19 -2.14 0.14 0.00 -1.51 0.00 0.00 37.83 34.50 2kzn s LYS 69 CO 0.31 -1.12 0.83 -0.35 -0.36 0.00 0.00 175.35 174.65 2kzn n PRO 70 N 3.91 -0.63 -2.74 4.03 -0.04 -1.26 -4.98 135.00 133.30 2kzn n PRO 70 Ca 0.06 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.64 2kzn n PRO 70 Cb 0.37 -0.79 -0.04 0.00 -0.04 0.00 0.00 33.50 33.00 2kzn n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kzn s ILE 71 N -2.69 4.17 -0.00 0.52 1.01 -0.12 -4.89 121.20 119.18 2kzn s ILE 71 Ca 0.48 0.25 0.32 0.00 0.00 0.00 0.00 60.65 61.70 2kzn s ILE 71 Cb -0.02 -4.69 0.36 0.00 0.01 0.00 0.00 42.46 38.12 2kzn s ILE 71 CO 0.33 -1.40 1.94 -0.08 0.00 0.00 0.00 174.94 175.74 2kzn h GLU 72 N 9.57 0.00 -0.01 2.79 4.81 -1.90 -0.85 114.58 128.99 2kzn h GLU 72 Ca -0.27 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.80 2kzn h GLU 72 Cb 1.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.46 2kzn h GLU 72 CO 1.17 0.00 -0.64 0.93 -0.73 0.00 0.00 179.01 179.74 2kzn h GLU 73 N 0.00 0.45 0.00 1.92 5.08 -1.95 -3.38 114.58 116.70 2kzn h GLU 73 Ca 0.00 -0.47 -0.27 0.00 -1.00 0.00 0.00 59.36 57.62 2kzn h GLU 73 Cb 0.41 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2kzn h GLU 73 CO 0.00 1.12 -2.25 -1.91 -1.00 0.00 0.00 179.01 174.97 2kzn n GLU 74 N -4.18 0.75 -2.75 2.33 4.07 -1.06 -4.90 120.64 114.89 2kzn n GLU 74 Ca -0.10 -0.06 -0.40 0.00 -0.06 0.00 0.00 57.16 56.54 2kzn n GLU 74 Cb 0.69 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.50 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2kzn s VAL 75 N -2.73 4.08 -0.06 6.31 1.01 -0.35 -4.90 120.40 123.75 2kzn s VAL 75 Ca -0.09 2.06 0.03 0.00 0.00 0.00 0.00 61.98 63.98 2kzn s VAL 75 Cb 0.08 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2kzn s VAL 75 CO 0.82 0.47 -0.14 -0.70 0.00 0.00 0.00 175.10 175.55 2kzn s GLU 76 N -1.26 1.76 0.21 2.72 2.56 -1.26 -4.75 118.70 118.68 2kzn s GLU 76 Ca 0.42 -0.47 0.06 0.00 0.00 0.00 0.00 54.97 54.98 2kzn s GLU 76 Cb -0.25 -1.46 -0.04 0.00 2.00 0.00 0.00 34.13 34.38 2kzn s GLU 76 CO 0.31 0.07 0.16 -1.83 -0.56 0.00 0.00 175.26 173.41 2kzn s GLU 77 N 0.52 2.89 -0.24 4.30 1.03 -1.26 -0.85 118.70 125.10 2kzn s GLU 77 Ca -0.13 -0.97 -0.03 0.00 0.03 0.00 0.00 54.97 53.87 2kzn s GLU 77 Cb -0.15 -2.59 0.13 0.00 -0.80 0.00 0.00 34.13 30.72 2kzn s GLU 77 CO 0.04 0.44 0.35 0.21 -1.33 0.00 0.00 175.26 174.97 2kzn s LYS 78 N -3.45 0.32 -0.01 -4.83 2.20 0.40 -4.88 119.74 109.50 2kzn s LYS 78 Ca 0.32 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 2kzn s LYS 78 Cb -0.09 -0.61 -0.05 0.00 -1.51 0.00 0.00 37.83 35.57 2kzn s LYS 78 CO 0.24 -0.66 1.42 -1.17 -0.36 0.00 0.00 175.35 174.82 2kzn s LEU 79 N 2.50 4.31 0.10 5.43 2.96 -1.26 -0.87 118.68 131.85 2kzn s LEU 79 Ca 0.12 2.12 0.07 0.00 -0.22 0.00 0.00 54.13 56.21 2kzn s LEU 79 Cb -0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 2kzn s LEU 79 CO -0.16 -0.74 -0.17 -0.62 -1.32 0.00 0.00 176.35 173.34 2kzn s ASP 80 N 1.98 2.13 0.00 3.68 2.15 0.08 -4.97 116.67 121.72 2kzn s ASP 80 Ca 0.64 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.94 2kzn s ASP 80 Cb -0.32 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 2kzn s ASP 80 CO 0.26 -0.03 0.09 1.07 -0.17 0.00 0.00 175.17 176.40 2kzn n THR 81 N 1.06 0.01 0.34 1.71 5.66 -1.26 -2.75 114.28 119.05 2kzn n THR 81 Ca -0.19 -0.05 0.14 0.00 -3.05 0.00 0.00 64.05 60.90 2kzn n THR 81 Cb 0.54 1.82 0.50 0.00 -1.55 0.00 0.00 70.33 71.65 2kzn n THR 81 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kzn h SER 82 N 0.00 0.00 -0.27 1.09 0.87 -1.95 -2.02 113.55 111.26 2kzn h SER 82 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kzn h SER 82 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kzn h SER 82 CO 0.00 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 177.71 2kzn n HIS 83 N -2.79 0.36 -0.95 2.24 8.25 -1.26 -4.93 115.22 116.14 2kzn n HIS 83 Ca 0.02 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kzn n HIS 83 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2kzn n HIS 83 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kzn n GLY 84 N 1.06 0.66 2.92 -1.41 0.00 -0.76 -4.99 105.19 102.68 2kzn n GLY 84 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.24 0.06 -0.46 1.61 -1.94 -1.26 -5.08 119.30 111.98 2kzn s MET 85 Ca 0.00 0.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.74 2kzn s MET 85 Cb 0.00 0.03 0.02 0.00 2.01 0.00 0.00 34.83 36.89 2kzn s MET 85 CO 0.00 -0.01 1.26 0.42 -0.01 0.00 0.00 175.02 176.68 2kzn s ILE 86 N 0.00 4.06 0.12 2.53 -1.09 -1.26 -4.21 121.20 121.36 2kzn s ILE 86 Ca -0.00 1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 59.24 2kzn s ILE 86 Cb -0.00 -4.45 0.07 0.00 -1.58 0.00 0.00 42.46 36.50 2kzn s ILE 86 CO 0.00 -0.93 0.64 0.00 -1.23 0.00 0.00 174.94 173.41 2kzn s ARG 87 N 4.71 1.21 -0.23 2.79 1.70 -1.11 -5.00 118.95 123.03 2kzn s ARG 87 Ca 0.53 -0.37 -0.09 0.00 -0.47 0.00 0.00 55.73 55.33 2kzn s ARG 87 Cb -0.10 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2kzn s ARG 87 CO 0.32 -0.51 0.11 0.95 -1.08 0.00 0.00 175.30 175.09 2kzn s THR 88 N -3.39 4.95 -0.19 4.99 -4.23 -1.20 -0.74 115.64 115.83 2kzn s THR 88 Ca 0.00 0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 2kzn s THR 88 Cb -0.01 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2kzn s THR 88 CO -0.10 0.37 0.06 -1.61 -0.54 0.00 0.00 174.62 172.79 2kzn s GLU 89 N 1.04 3.88 -0.28 3.99 0.41 -0.05 -0.72 118.70 126.98 2kzn s GLU 89 Ca 0.06 -0.39 -0.18 0.00 -0.41 0.00 0.00 54.97 54.05 2kzn s GLU 89 Cb -0.14 -3.21 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2kzn s GLU 89 CO 0.04 0.17 0.54 0.14 -0.49 0.00 0.00 175.26 175.66 2kzn s VAL 90 N 0.64 5.04 -0.24 2.63 -7.23 -0.86 -0.45 120.40 119.93 2kzn s VAL 90 Ca 0.03 0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 60.97 2kzn s VAL 90 Cb -0.13 -3.87 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 2kzn s VAL 90 CO 0.02 0.02 0.02 0.00 -0.31 0.00 0.00 175.10 174.84 2kzn s ARG 91 N 2.37 3.49 0.35 4.82 1.70 -0.03 -3.13 118.95 128.53 2kzn s ARG 91 Ca 0.22 -0.57 -0.27 0.00 -0.47 0.00 0.00 55.73 54.63 2kzn s ARG 91 Cb -0.15 -3.19 -0.09 0.00 -0.57 0.00 0.00 34.95 30.94 2kzn s ARG 91 CO 0.10 -0.21 1.23 0.45 -1.08 0.00 0.00 175.30 175.79 2kzn s SER 92 N 1.55 6.72 0.48 -2.89 0.15 -1.25 -4.27 113.70 114.19 2kzn s SER 92 Ca 0.06 2.51 0.19 0.00 0.70 0.00 0.00 55.95 59.40 2kzn s SER 92 Cb -0.15 -2.63 1.19 0.00 -1.71 0.00 0.00 66.02 62.72 2kzn s SER 92 CO 0.00 -0.55 1.99 0.08 1.20 0.00 0.00 173.24 175.96 2kzn h ARG 93 N 3.13 0.21 0.00 5.44 0.11 -1.92 -3.29 114.38 118.07 2kzn h ARG 93 Ca -0.49 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kzn h ARG 93 Cb 1.23 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kzn h ARG 93 CO 0.64 0.14 0.00 2.41 0.10 0.00 0.00 179.97 183.26 2kzn n THR 94 N -4.44 0.00 0.00 0.08 -1.04 -1.26 -4.93 114.28 102.68 2kzn n THR 94 Ca 0.09 1.28 0.00 0.00 -2.04 0.00 0.00 64.05 63.38 2kzn n THR 94 Cb 0.46 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 2kzn n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kzn n ALA 95 N -1.53 2.77 -0.59 2.41 0.00 -1.24 -5.12 120.51 117.21 2kzn n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kzn n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.15 0.00 -0.16 0.00 8.00 -1.26 -4.88 116.55 116.10 2kzn n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kzn n ASP 96 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.73 0.00 -0.65 -2.24 3.41 -1.26 -3.74 113.62 107.41 2kzn n SER 97 Ca 0.00 -1.17 0.50 0.00 -0.26 0.00 0.00 58.87 57.94 2kzn n SER 97 Cb 0.00 -0.03 0.79 0.00 -0.26 0.00 0.00 64.21 64.71 2kzn n SER 97 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2kzn h HIS 98 N 0.00 0.13 0.00 7.33 3.86 -1.87 -0.36 115.15 124.24 2kzn h HIS 98 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kzn h HIS 98 Cb 1.07 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2kzn h HIS 98 CO -0.03 -0.07 0.00 1.28 0.86 0.00 0.00 177.93 179.97 2kzn n LEU 99 N -4.14 0.00 0.00 2.43 4.77 -1.26 -4.78 117.00 114.03 2kzn n LEU 99 Ca 0.43 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 2kzn n LEU 99 Cb 1.91 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 2kzn n LEU 99 CO 0.38 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2kzn n GLY 100 N -0.82 -0.50 3.48 -0.72 0.00 -0.15 -2.73 105.19 103.75 2kzn n GLY 100 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.01 2.48 0.03 1.61 3.76 -0.94 -2.02 115.29 117.20 2kzn s HIS 101 Ca 0.00 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 2kzn s HIS 101 Cb 0.00 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.40 2kzn s HIS 101 CO 0.00 0.43 -0.09 0.14 -0.85 0.00 0.00 174.74 174.37 2kzn s VAL 102 N -1.38 0.71 -0.04 -0.90 -7.23 0.11 -1.07 120.40 110.60 2kzn s VAL 102 Ca 0.20 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 2kzn s VAL 102 Cb -0.09 -0.68 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 2kzn s VAL 102 CO 0.11 -0.11 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.27 2kzn s PHE 103 N -0.85 1.58 -0.17 2.82 0.08 -0.89 -3.21 117.98 117.34 2kzn s PHE 103 Ca -0.03 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2kzn s PHE 103 Cb -0.07 -1.08 0.22 0.00 -0.57 0.00 0.00 43.02 41.52 2kzn s PHE 103 CO 0.01 -0.17 1.46 0.27 -0.10 0.00 0.00 175.22 176.69 2kzn n ASN 104 N 3.22 3.86 -1.51 1.36 0.23 -1.26 -1.01 115.26 120.15 2kzn n ASN 104 Ca -0.18 -2.63 0.10 0.00 -0.53 0.00 0.00 54.58 51.33 2kzn n ASN 104 Cb 0.53 -0.71 0.34 0.00 -2.08 0.00 0.00 39.78 37.86 2kzn n ASN 104 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2kzn n ASP 105 N 0.07 4.46 -3.99 0.53 8.00 -1.26 -4.84 116.55 119.52 2kzn n ASP 105 Ca 0.21 -2.33 -0.31 0.00 0.71 0.00 0.00 54.79 53.07 2kzn n ASP 105 Cb 0.84 -0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 41.24 2kzn n ASP 105 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kzn s GLY 106 N -0.91 1.51 0.14 0.44 0.00 -1.24 -5.07 107.32 102.21 2kzn s GLY 106 Ca 0.49 -1.71 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 2kzn s GLY 106 CO 0.26 0.86 1.48 2.56 0.00 0.00 0.00 173.10 178.26 2kzn s PRO 107 N 1.22 4.27 0.04 2.90 0.04 -1.26 -4.13 135.00 138.08 2kzn s PRO 107 Ca -0.03 2.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 2kzn s PRO 107 Cb -0.19 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.24 2kzn s PRO 107 CO -0.07 -0.52 1.22 0.20 0.04 0.00 0.00 177.00 177.87 2kzn s GLY 108 N 1.10 -0.05 0.39 0.56 0.00 -1.26 -4.88 107.32 103.18 2kzn s GLY 108 Ca 0.67 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 45.39 2kzn s GLY 108 CO 0.31 4.96 1.93 -2.55 0.00 0.00 0.00 173.10 177.76 2kzn h PRO 109 N 2.00 0.28 0.00 2.90 0.11 -1.91 -2.69 132.00 132.69 2kzn h PRO 109 Ca -0.23 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 2kzn h PRO 109 Cb 1.19 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kzn h PRO 109 CO 0.33 0.38 -1.36 -0.97 -0.21 0.00 0.00 178.00 176.17 2kzn h ASN 110 N 0.27 0.00 0.00 -2.05 -1.24 -1.95 -3.48 115.58 107.13 2kzn h ASN 110 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2kzn h ASN 110 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2kzn h ASN 110 CO 0.01 0.58 0.00 0.61 -1.29 0.00 0.00 177.43 177.34 2kzn n GLY 111 N 1.39 1.72 3.73 1.57 0.00 -1.02 -5.03 105.19 107.55 2kzn n GLY 111 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 3.14 -0.20 0.99 1.43 -1.26 -4.42 118.68 118.36 2kzn s LEU 112 Ca 0.00 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.06 2kzn s LEU 112 Cb 0.00 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.79 2kzn s LEU 112 CO 0.00 -0.48 0.06 -0.60 0.23 0.00 0.00 176.35 175.56 2kzn s ARG 113 N -3.88 0.46 0.17 1.70 3.52 -0.18 -4.37 118.95 116.36 2kzn s ARG 113 Ca 0.40 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 2kzn s ARG 113 Cb 0.02 -1.97 -0.08 0.00 -1.56 0.00 0.00 34.95 31.36 2kzn s ARG 113 CO 0.22 -0.69 1.15 1.52 -0.81 0.00 0.00 175.30 176.69 2kzn s TYR 114 N 1.94 3.51 -0.43 5.12 -0.85 -0.27 -2.10 117.35 124.27 2kzn s TYR 114 Ca 0.01 1.51 0.04 0.00 -0.52 0.00 0.00 57.07 58.11 2kzn s TYR 114 Cb -0.17 -3.35 0.12 0.00 0.38 0.00 0.00 41.96 38.94 2kzn s TYR 114 CO -0.11 -0.90 0.16 0.00 -1.52 0.00 0.00 175.55 173.18 2kzn s ILE 116 N 0.32 4.86 0.38 0.00 -1.09 -1.20 -2.20 121.20 122.27 2kzn s ILE 116 Ca 0.14 -0.03 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 2kzn s ILE 116 Cb -0.22 -3.10 -0.10 0.00 -1.58 0.00 0.00 42.46 37.45 2kzn s ILE 116 CO -0.04 0.58 0.93 0.54 -1.23 0.00 0.00 174.94 175.72 2kzn s ASN 117 N -0.67 7.07 0.38 3.58 2.20 -1.10 -3.49 114.94 122.90 2kzn s ASN 117 Ca 0.12 1.71 0.08 0.00 -0.94 0.00 0.00 52.86 53.83 2kzn s ASN 117 Cb -0.12 -2.54 0.77 0.00 -2.00 0.00 0.00 41.25 37.36 2kzn s ASN 117 CO 0.02 -0.24 1.92 0.77 -2.94 0.00 0.00 177.10 176.64 2kzn h SER 118 N 2.39 0.29 0.73 3.54 4.64 -1.91 -2.49 113.55 120.75 2kzn h SER 118 Ca -0.48 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.72 2kzn h SER 118 Cb 1.18 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2kzn h SER 118 CO 0.63 0.40 -0.30 0.00 -0.87 0.00 0.00 176.83 176.69 2kzn h ALA 119 N 1.63 1.09 0.00 5.18 0.00 -1.93 -3.08 119.26 122.15 2kzn h ALA 119 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2kzn h ALA 119 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kzn h ALA 119 CO 0.02 0.38 -0.43 0.00 0.00 0.00 0.00 179.25 179.21 2kzn h ALA 120 N 1.70 1.18 -2.52 0.00 0.00 -1.75 -3.43 119.26 114.43 2kzn h ALA 120 Ca -0.00 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 2kzn h ALA 120 Cb 0.75 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2kzn h ALA 120 CO 0.04 0.54 -0.14 -0.51 0.00 0.00 0.00 179.25 179.18 2kzn s LEU 121 N -7.75 4.15 -0.10 0.00 1.43 -1.17 -2.06 118.68 113.18 2kzn s LEU 121 Ca -0.02 0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 2kzn s LEU 121 Cb 0.13 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.79 2kzn s LEU 121 CO 0.72 -0.09 0.21 -0.60 0.23 0.00 0.00 176.35 176.82 2kzn s ARG 122 N -2.98 0.12 -0.18 1.70 3.52 -1.01 -4.87 118.95 115.25 2kzn s ARG 122 Ca 0.46 0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 56.33 2kzn s ARG 122 Cb -0.11 -0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.12 2kzn s ARG 122 CO 0.24 -0.23 1.17 -0.59 -0.81 0.00 0.00 175.30 175.07 2kzn s PHE 123 N 1.79 3.07 -0.36 5.12 -0.12 -1.25 -2.00 117.98 124.23 2kzn s PHE 123 Ca -0.04 1.21 0.01 0.00 -0.05 0.00 0.00 56.93 58.07 2kzn s PHE 123 Cb -0.11 -3.40 0.10 0.00 -0.63 0.00 0.00 43.02 38.97 2kzn s PHE 123 CO -0.07 -1.17 0.09 0.08 -0.05 0.00 0.00 175.22 174.10 2kzn s VAL 124 N 3.27 2.69 0.66 -2.49 1.01 -0.37 -4.93 120.40 120.24 2kzn s VAL 124 Ca 0.50 -2.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 2kzn s VAL 124 Cb -0.19 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2kzn s VAL 124 CO 0.12 -0.57 1.07 -0.81 0.00 0.00 0.00 175.10 174.91 2kzn n PRO 125 N 4.41 0.80 0.31 2.72 -0.04 -1.26 -1.58 135.00 140.36 2kzn n PRO 125 Ca -0.00 0.33 0.19 0.00 -0.04 0.00 0.00 63.50 63.97 2kzn n PRO 125 Cb 0.42 -2.30 1.05 0.00 -0.04 0.00 0.00 33.50 32.63 2kzn n PRO 125 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kzn h LYS 126 N 0.20 0.00 -0.34 0.54 3.64 -1.58 0.19 116.57 119.22 2kzn h LYS 126 Ca -0.49 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.75 2kzn h LYS 126 Cb 1.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2kzn h LYS 126 CO 0.50 0.00 -0.34 0.45 -2.27 0.00 0.00 179.45 177.79 2kzn h HIS 127 N 0.00 0.91 0.00 1.91 3.86 -1.90 -3.21 115.15 116.71 2kzn h HIS 127 Ca 0.01 -0.25 -0.16 0.00 -1.16 0.00 0.00 60.37 58.81 2kzn h HIS 127 Cb 0.10 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2kzn h HIS 127 CO 0.00 1.00 -0.91 0.87 0.86 0.00 0.00 177.93 179.75 2kzn h LYS 128 N 0.65 0.00 -0.62 2.45 1.79 -1.02 -3.32 116.57 116.50 2kzn h LYS 128 Ca 0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2kzn h LYS 128 Cb 0.88 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 2kzn h LYS 128 CO 0.08 0.61 0.27 -0.07 -1.08 0.00 0.00 179.45 179.26 2kzn h LEU 129 N 0.00 0.81 -1.18 2.94 3.38 -1.22 -0.98 115.31 119.06 2kzn h LEU 129 Ca -0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2kzn h LEU 129 Cb 1.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2kzn h LEU 129 CO 0.08 0.71 -0.39 0.11 0.09 0.00 0.00 178.44 179.04 2kzn h LYS 130 N 0.89 0.04 -0.20 1.13 1.57 -1.65 0.12 116.57 118.46 2kzn h LYS 130 Ca 0.21 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2kzn h LYS 130 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2kzn h LYS 130 CO -0.02 0.42 -0.49 1.49 -0.57 0.00 0.00 179.45 180.29 2kzn h GLU 131 N 0.03 0.53 0.00 3.15 4.57 -1.52 -2.74 114.58 118.61 2kzn h GLU 131 Ca 0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2kzn h GLU 131 Cb 0.71 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2kzn h GLU 131 CO 0.05 0.90 0.00 0.39 -1.18 0.00 0.00 179.01 179.17 2kzn n GLU 132 N -3.99 0.28 0.00 1.92 -0.58 -0.44 -4.87 120.64 112.97 2kzn n GLU 132 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2kzn n GLU 132 Cb 0.56 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kzn n GLY 133 N 0.42 0.85 4.10 0.62 0.00 -0.70 -4.86 105.19 105.62 2kzn n GLY 133 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kzn n GLY 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kzn n TYR 134 N -0.82 0.00 0.08 1.61 0.18 0.33 -4.79 117.16 113.75 2kzn n TYR 134 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 2kzn n TYR 134 Cb 0.00 -0.39 -0.07 0.00 -0.38 0.00 0.00 39.34 38.50 2kzn n TYR 134 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2kzn h GLU 135 N 0.00 -0.55 0.00 -3.48 4.22 -1.89 -0.96 114.58 111.92 2kzn h GLU 135 Ca 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 2kzn h GLU 135 Cb 0.00 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kzn h GLU 135 CO 0.00 -0.37 -0.80 1.03 -2.18 0.00 0.00 179.01 176.70 2kzn h SER 136 N -0.57 0.00 0.47 1.04 0.87 -1.97 -3.37 113.55 110.02 2kzn h SER 136 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2kzn h SER 136 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2kzn h SER 136 CO -0.22 0.20 -0.23 1.88 -0.53 0.00 0.00 176.83 177.94 2kzn h TYR 137 N 0.00 -0.59 0.00 2.24 0.05 -1.81 -2.24 116.97 114.63 2kzn h TYR 137 Ca -0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2kzn h TYR 137 Cb 1.19 0.19 -0.00 0.00 1.01 0.00 0.00 36.73 39.12 2kzn h TYR 137 CO 0.00 -0.36 -0.06 -0.07 -1.05 0.00 0.00 178.16 176.62 2kzn h LEU 138 N -0.89 0.00 0.27 3.88 4.07 -1.43 -0.45 115.31 120.76 2kzn h LEU 138 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 2kzn h LEU 138 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2kzn h LEU 138 CO 0.11 0.06 -0.13 -0.74 -1.08 0.00 0.00 178.44 176.66 2kzn h HIS 139 N 0.00 -0.34 -0.08 1.13 2.76 -1.71 -1.75 115.15 115.16 2kzn h HIS 139 Ca -0.00 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 2kzn h HIS 139 Cb 0.49 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2kzn h HIS 139 CO 0.00 0.02 -0.41 -0.07 -1.30 0.00 0.00 177.93 176.17 2kzn h LEU 140 N -0.81 0.18 -1.59 0.26 3.38 -1.17 -1.94 115.31 113.62 2kzn h LEU 140 Ca -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kzn h LEU 140 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2kzn h LEU 140 CO 0.06 0.58 0.21 0.15 0.09 0.00 0.00 178.44 179.53 2kzn h PHE 141 N 0.15 0.46 -1.55 1.13 3.57 -1.15 -3.45 116.94 116.09 2kzn h PHE 141 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2kzn h PHE 141 Cb 0.79 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2kzn h PHE 141 CO 0.01 0.32 -0.15 -1.71 -2.23 0.00 0.00 178.31 174.54 2kzn n ASN 142 N -4.46 -3.11 -4.70 0.41 2.85 -0.66 -4.99 115.26 100.61 2kzn n ASN 142 Ca 0.02 0.22 -0.41 0.00 -0.11 0.00 0.00 54.58 54.30 2kzn n ASN 142 Cb 0.08 -1.65 -0.04 0.00 1.24 0.00 0.00 39.78 39.42 2kzn n ASN 142 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2kzn s LYS 143 N -2.61 4.44 -0.91 1.20 2.20 -1.23 -4.98 119.74 117.85 2kzn s LYS 143 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 2kzn s LYS 143 Cb 0.00 -3.50 0.31 0.00 -1.51 0.00 0.00 37.83 33.13 2kzn s LYS 143 CO 0.00 -0.14 1.38 1.28 -0.36 0.00 0.00 175.35 177.51 2kzn n LEU 144 N 4.41 5.96 -4.73 5.43 7.99 -1.26 -5.04 117.00 129.75 2kzn n LEU 144 Ca 0.04 -5.38 -0.41 0.00 -0.01 0.00 0.00 56.01 50.25 2kzn n LEU 144 Cb 0.50 -1.03 -0.04 0.00 -0.11 0.00 0.00 43.42 42.75 2kzn n LEU 144 CO 0.50 1.97 0.84 -0.70 -1.51 0.00 0.00 177.39 178.49 2kzn s GLU 145 N -3.32 4.53 -0.51 3.23 2.12 -1.26 -4.95 118.70 118.54 2kzn s GLU 145 Ca 0.38 1.78 -0.26 0.00 0.36 0.00 0.00 54.97 57.23 2kzn s GLU 145 Cb 0.14 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.20 2kzn s GLU 145 CO -0.02 -0.04 2.26 -1.01 -0.54 0.00 0.00 175.26 175.91 2kzn s HIS 146 N 0.06 1.23 0.00 5.30 3.76 -1.26 -5.33 115.29 119.04 2kzn s HIS 146 Ca 0.52 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 2kzn s HIS 146 Cb -0.30 -3.72 0.00 0.00 1.11 0.00 0.00 32.58 29.66 2kzn s HIS 146 CO 0.35 -2.54 0.19 1.58 -0.85 0.00 0.00 174.74 173.47