#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 1.72 -0.70 -5.12 0.00 -1.26 -4.87 121.76 111.54 2kzn s ALA 2 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 2kzn s ALA 2 Cb 0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.75 2kzn s ALA 2 CO 0.00 -4.36 1.95 0.71 0.00 0.00 0.00 175.76 174.06 2kzn s TYR 3 N 11.75 1.64 0.68 0.00 2.02 -1.26 -4.98 117.35 127.20 2kzn s TYR 3 Ca 0.94 0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 58.34 2kzn s TYR 3 Cb -0.17 -4.01 0.01 0.00 -0.40 0.00 0.00 41.96 37.39 2kzn s TYR 3 CO 0.26 -2.13 1.15 1.21 -1.57 0.00 0.00 175.55 174.47 2kzn s ASN 4 N 8.51 4.76 0.17 2.29 3.84 -1.26 -4.93 114.94 128.31 2kzn s ASN 4 Ca 0.71 2.16 -0.13 0.00 0.21 0.00 0.00 52.86 55.81 2kzn s ASN 4 Cb -0.11 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.08 2kzn s ASN 4 CO 0.14 -1.87 1.74 0.11 -2.79 0.00 0.00 177.10 174.43 2kzn h LYS 5 N -0.04 0.83 0.34 0.43 1.57 -1.99 -2.56 116.57 115.14 2kzn h LYS 5 Ca -0.47 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.15 2kzn h LYS 5 Cb 1.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2kzn h LYS 5 CO 0.52 0.70 -0.16 0.93 -0.57 0.00 0.00 179.45 180.87 2kzn h GLU 6 N 0.77 -0.44 -0.24 3.15 5.08 -1.99 0.42 114.58 121.33 2kzn h GLU 6 Ca 0.19 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2kzn h GLU 6 Cb 0.16 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kzn h GLU 6 CO -0.02 -0.16 0.19 1.05 -1.00 0.00 0.00 179.01 179.07 2kzn h GLU 7 N -0.68 0.00 0.05 2.33 4.11 -1.97 -1.64 114.58 116.78 2kzn h GLU 7 Ca -0.05 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 2kzn h GLU 7 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kzn h GLU 7 CO 0.08 0.00 -0.48 -0.22 0.07 0.00 0.00 179.01 178.45 2kzn h LYS 8 N 0.00 0.24 -0.38 1.06 3.64 -1.12 -3.35 116.57 116.65 2kzn h LYS 8 Ca 0.11 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2kzn h LYS 8 Cb 0.49 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2kzn h LYS 8 CO -0.00 1.09 0.25 0.82 -2.27 0.00 0.00 179.45 179.33 2kzn h ILE 9 N -0.46 1.10 -0.21 2.00 1.08 -0.04 -1.40 117.51 119.58 2kzn h ILE 9 Ca -0.07 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2kzn h ILE 9 Cb 1.30 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 2kzn h ILE 9 CO 0.09 0.10 0.05 0.11 -0.69 0.00 0.00 178.15 177.81 2kzn h LYS 10 N 0.51 0.13 -0.02 2.37 1.79 -1.49 0.19 116.57 120.05 2kzn h LYS 10 Ca 0.14 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2kzn h LYS 10 Cb -0.05 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2kzn h LYS 10 CO -0.03 0.09 -0.01 1.03 -1.08 0.00 0.00 179.45 179.45 2kzn h SER 11 N 0.13 0.04 -0.93 0.86 0.87 -1.68 -3.23 113.55 109.60 2kzn h SER 11 Ca 0.10 -0.41 0.18 0.00 -1.23 0.00 0.00 61.79 60.43 2kzn h SER 11 Cb 0.09 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.93 2kzn h SER 11 CO -0.12 0.43 0.52 0.25 -0.53 0.00 0.00 176.83 177.38 2kzn h LEU 12 N -0.36 0.64 -1.47 2.23 5.85 -0.93 -2.35 115.31 118.90 2kzn h LEU 12 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2kzn h LEU 12 Cb 0.42 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kzn h LEU 12 CO 0.00 0.22 0.18 0.78 -0.34 0.00 0.00 178.44 179.28 2kzn h ASN 13 N 0.67 0.47 -0.57 1.25 -0.26 -0.64 -0.49 115.58 116.01 2kzn h ASN 13 Ca 0.54 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 56.16 2kzn h ASN 13 Cb 0.83 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 2kzn h ASN 13 CO -0.39 0.41 0.05 0.03 -1.06 0.00 0.00 177.43 176.47 2kzn h ARG 14 N 0.53 0.96 0.02 0.81 2.47 -1.51 -2.40 114.38 115.27 2kzn h ARG 14 Ca 0.14 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2kzn h ARG 14 Cb 0.07 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2kzn h ARG 14 CO -0.02 0.94 -0.01 1.98 0.56 0.00 0.00 179.97 183.42 2kzn h MET 15 N 0.85 -0.03 -0.23 0.04 4.05 -1.27 -1.53 114.93 116.82 2kzn h MET 15 Ca 0.17 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 2kzn h MET 15 Cb 0.47 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2kzn h MET 15 CO 0.02 0.70 0.18 1.96 0.23 0.00 0.00 176.91 180.00 2kzn h GLN 16 N -0.94 0.00 0.01 0.39 4.20 -1.25 -1.11 115.11 116.41 2kzn h GLN 16 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kzn h GLN 16 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2kzn h GLN 16 CO 0.00 0.00 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.24 2kzn h TYR 17 N 0.00 -0.01 0.00 2.96 3.20 -1.43 -3.20 116.97 118.49 2kzn h TYR 17 Ca 0.11 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2kzn h TYR 17 Cb 0.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2kzn h TYR 17 CO 0.00 0.76 -0.27 1.49 -1.64 0.00 0.00 178.16 178.49 2kzn h GLU 18 N -0.81 0.00 0.19 1.82 4.57 -0.61 0.86 114.58 120.59 2kzn h GLU 18 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2kzn h GLU 18 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2kzn h GLU 18 CO 0.00 0.27 -0.09 0.28 -1.18 0.00 0.00 179.01 178.30 2kzn h VAL 19 N 0.00 0.88 0.00 0.32 2.07 -1.35 -0.66 116.25 117.52 2kzn h VAL 19 Ca -0.00 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2kzn h VAL 19 Cb 0.53 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2kzn h VAL 19 CO 0.04 0.20 -0.23 0.00 0.02 0.00 0.00 177.57 177.60 2kzn h THR 20 N -0.77 0.84 0.03 2.57 1.03 -1.50 0.17 112.91 115.29 2kzn h THR 20 Ca -0.03 -0.88 -0.05 0.00 -0.01 0.00 0.00 66.41 65.44 2kzn h THR 20 Cb 0.51 1.52 0.01 0.00 -1.07 0.00 0.00 68.15 69.12 2kzn h THR 20 CO 0.04 0.22 -0.22 -0.61 -0.01 0.00 0.00 175.52 174.94 2kzn h GLN 21 N 0.00 0.10 0.00 0.00 -0.00 -0.84 -3.29 115.11 111.08 2kzn h GLN 21 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 2kzn h GLN 21 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.04 2kzn h GLN 21 CO 0.03 1.01 -0.36 -0.97 0.00 0.00 0.00 178.83 178.53 2kzn h ASN 22 N -0.73 0.00 -3.33 -0.69 -0.00 -1.15 -3.47 115.58 106.20 2kzn h ASN 22 Ca -0.04 -0.08 -0.30 0.00 -0.00 0.00 0.00 56.30 55.89 2kzn h ASN 22 Cb 1.10 0.00 0.04 0.00 -0.00 0.00 0.00 38.32 39.47 2kzn h ASN 22 CO 0.04 0.04 -0.44 0.59 -0.00 0.00 0.00 177.43 177.66 2kzn n ASN 23 N -2.42 -4.89 -4.62 1.15 3.02 0.45 -5.01 115.26 102.95 2kzn n ASN 23 Ca 0.04 -0.20 -0.24 0.00 -0.03 0.00 0.00 54.58 54.14 2kzn n ASN 23 Cb 0.47 -3.76 0.12 0.00 -0.61 0.00 0.00 39.78 35.99 2kzn n ASN 23 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kzn s GLY 24 N -2.77 1.76 -0.05 7.41 0.00 -0.24 -5.01 107.32 108.42 2kzn s GLY 24 Ca 0.21 -1.67 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 2kzn s GLY 24 CO 0.26 -1.08 0.19 -1.08 0.00 0.00 0.00 173.10 171.39 2kzn s THR 25 N -3.23 5.43 0.46 0.90 -1.32 -1.26 -4.82 115.64 111.80 2kzn s THR 25 Ca 0.67 0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 61.24 2kzn s THR 25 Cb -0.05 -3.49 -0.01 0.00 -1.51 0.00 0.00 72.50 67.44 2kzn s THR 25 CO 0.45 0.47 0.70 -1.83 -2.21 0.00 0.00 174.62 172.20 2kzn s GLU 26 N -1.49 3.10 0.13 7.08 1.03 -1.26 -5.01 118.70 122.27 2kzn s GLU 26 Ca 0.22 -0.38 -0.32 0.00 0.03 0.00 0.00 54.97 54.52 2kzn s GLU 26 Cb -0.13 -2.52 -0.11 0.00 -0.80 0.00 0.00 34.13 30.57 2kzn s GLU 26 CO 0.12 -0.30 1.79 -2.30 -1.33 0.00 0.00 175.26 173.24 2kzn n PRO 27 N -2.14 2.67 0.16 -4.83 -0.02 -1.26 -4.91 135.00 124.67 2kzn n PRO 27 Ca 0.01 0.97 0.13 0.00 -2.02 0.00 0.00 63.50 62.60 2kzn n PRO 27 Cb 0.57 -2.84 0.45 0.00 -0.02 0.00 0.00 33.50 31.66 2kzn n PRO 27 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2kzn h PRO 28 N 7.94 0.00 -0.32 0.52 0.13 -1.97 -3.12 132.00 135.19 2kzn h PRO 28 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kzn h PRO 28 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kzn h PRO 28 CO 0.94 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.68 2kzn n PHE 29 N -2.49 0.05 0.25 1.56 1.16 -1.26 -3.16 117.46 113.57 2kzn n PHE 29 Ca 0.03 -0.02 0.10 0.00 -1.87 0.00 0.00 57.45 55.69 2kzn n PHE 29 Cb 0.35 -0.04 0.64 0.00 -1.61 0.00 0.00 39.48 38.83 2kzn n PHE 29 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2kzn h GLN 30 N 0.16 0.00 -6.45 3.97 3.07 -1.96 -3.39 115.11 110.51 2kzn h GLN 30 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.06 2kzn h GLN 30 Cb 0.20 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.55 2kzn h GLN 30 CO 0.01 0.15 -0.76 -0.80 0.09 0.00 0.00 178.83 177.51 2kzn s ASN 31 N -6.44 4.13 0.00 0.06 0.01 -1.19 -5.09 114.94 106.43 2kzn s ASN 31 Ca -0.03 -0.31 -0.21 0.00 -0.71 0.00 0.00 52.86 51.60 2kzn s ASN 31 Cb 0.14 -0.80 -0.12 0.00 0.41 0.00 0.00 41.25 40.88 2kzn s ASN 31 CO 0.62 0.27 0.97 -0.33 -1.51 0.00 0.00 177.10 177.12 2kzn h GLU 32 N 4.55 -0.73 0.00 -0.60 3.07 -1.86 -3.34 114.58 115.68 2kzn h GLU 32 Ca -0.48 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.42 2kzn h GLU 32 Cb 1.16 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 2kzn h GLU 32 CO 0.50 -0.48 -0.29 0.66 -1.40 0.00 0.00 179.01 177.99 2kzn n TYR 33 N -4.82 0.00 -1.76 4.33 4.01 -1.26 -4.93 117.16 112.73 2kzn n TYR 33 Ca -0.09 -1.15 -0.17 0.00 -0.16 0.00 0.00 57.90 56.32 2kzn n TYR 33 Cb 0.30 -0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.14 -0.47 0.42 -0.72 8.01 -1.25 -4.85 117.44 117.44 2kzn n TRP 34 Ca 0.16 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.48 2kzn n TRP 34 Cb 0.69 -3.15 0.49 0.00 -2.01 0.00 0.00 31.31 27.33 2kzn n TRP 34 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.69 177.06 2kzn h ASP 35 N 0.00 0.00 -1.99 -0.99 2.03 -1.92 -3.40 116.42 110.15 2kzn h ASP 35 Ca -0.37 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.32 2kzn h ASP 35 Cb 1.17 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.54 2kzn h ASP 35 CO 0.50 0.00 1.06 -1.00 -1.03 0.00 0.00 179.24 178.77 2kzn s HIS 36 N -3.32 2.66 -0.37 4.15 3.76 -1.26 -4.82 115.29 116.11 2kzn s HIS 36 Ca 0.05 -0.78 0.10 0.00 -0.15 0.00 0.00 55.06 54.28 2kzn s HIS 36 Cb 0.10 -4.50 0.45 0.00 1.11 0.00 0.00 32.58 29.73 2kzn s HIS 36 CO 0.47 -1.79 1.10 1.63 -0.85 0.00 0.00 174.74 175.29 2kzn n LYS 37 N 8.14 2.87 -2.18 1.40 4.01 -1.26 -5.05 118.16 126.09 2kzn n LYS 37 Ca 0.18 -4.09 -0.37 0.00 -0.51 0.00 0.00 58.31 53.52 2kzn n LYS 37 Cb 0.49 -2.00 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 2kzn n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2kzn s GLU 38 N -3.50 2.79 -0.48 1.97 8.01 -1.26 -4.95 118.70 121.27 2kzn s GLU 38 Ca 0.43 0.16 -0.18 0.00 0.01 0.00 0.00 54.97 55.39 2kzn s GLU 38 Cb 0.41 -4.53 0.06 0.00 -4.31 0.00 0.00 34.13 25.75 2kzn s GLU 38 CO -0.08 -2.70 0.54 -1.21 0.01 0.00 0.00 175.26 171.82 2kzn s GLU 39 N 6.63 3.08 0.14 1.61 2.02 -1.26 -3.53 118.70 127.39 2kzn s GLU 39 Ca 0.60 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2kzn s GLU 39 Cb -0.10 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 30.04 2kzn s GLU 39 CO 0.14 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.71 2kzn n GLY 40 N 5.17 -0.14 3.24 -1.39 0.00 0.20 -3.54 105.19 108.73 2kzn n GLY 40 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.30 2.51 -0.21 0.99 1.43 -0.90 -1.43 118.68 114.77 2kzn s LEU 41 Ca 0.00 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2kzn s LEU 41 Cb 0.00 -0.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 2kzn s LEU 41 CO 0.00 -0.37 -0.07 -0.31 0.23 0.00 0.00 176.35 175.84 2kzn s TYR 42 N -3.39 2.93 0.04 0.29 2.02 0.08 -1.22 117.35 118.10 2kzn s TYR 42 Ca 0.16 -0.98 0.06 0.00 -0.37 0.00 0.00 57.07 55.94 2kzn s TYR 42 Cb 0.03 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2kzn s TYR 42 CO 0.00 -0.54 -0.16 0.14 -1.57 0.00 0.00 175.55 173.42 2kzn s VAL 43 N 1.35 1.29 -0.32 0.71 -7.23 -0.51 -1.18 120.40 114.50 2kzn s VAL 43 Ca 0.04 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 2kzn s VAL 43 Cb -0.14 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.68 2kzn s VAL 43 CO -0.04 0.10 1.06 1.51 -0.31 0.00 0.00 175.10 177.42 2kzn s ASP 44 N -1.07 6.91 0.55 4.85 1.47 -0.49 -0.32 116.67 128.56 2kzn s ASP 44 Ca 0.04 1.01 0.22 0.00 1.18 0.00 0.00 52.55 55.00 2kzn s ASP 44 Cb -0.08 -2.53 1.46 0.00 -0.34 0.00 0.00 42.92 41.43 2kzn s ASP 44 CO 0.01 -0.87 2.14 0.40 0.68 0.00 0.00 175.17 177.53 2kzn h ILE 45 N 5.73 0.78 -0.93 2.11 2.04 -1.62 0.38 117.51 126.00 2kzn h ILE 45 Ca -0.21 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.85 2kzn h ILE 45 Cb 1.06 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 2kzn h ILE 45 CO 1.02 0.00 0.60 -0.37 0.00 0.00 0.00 178.15 179.41 2kzn h VAL 46 N 0.00 0.69 0.00 1.67 -1.51 -1.92 -3.14 116.25 112.05 2kzn h VAL 46 Ca 0.06 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2kzn h VAL 46 Cb 0.25 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 2kzn h VAL 46 CO -0.00 0.09 -0.69 -0.24 -1.23 0.00 0.00 177.57 175.50 2kzn n SER 47 N -4.57 3.47 -1.33 4.19 2.88 -0.96 -4.99 113.62 112.30 2kzn n SER 47 Ca 0.20 -0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 2kzn n SER 47 Cb 0.66 0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 65.04 2kzn n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kzn n GLY 48 N 1.98 0.40 3.62 0.46 0.00 0.13 -5.00 105.19 106.79 2kzn n GLY 48 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2kzn n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kzn s LYS 49 N -4.10 4.01 0.14 1.61 2.47 -1.02 -4.79 119.74 118.07 2kzn s LYS 49 Ca 0.00 0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 54.67 2kzn s LYS 49 Cb 0.00 -3.70 -0.09 0.00 -1.46 0.00 0.00 37.83 32.58 2kzn s LYS 49 CO 0.00 -0.58 1.47 -1.25 0.16 0.00 0.00 175.35 175.15 2kzn s PRO 50 N 2.78 4.27 -0.02 4.03 0.04 -1.26 -1.39 135.00 143.45 2kzn s PRO 50 Ca 0.30 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.59 2kzn s PRO 50 Cb -0.15 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 2kzn s PRO 50 CO 0.11 -0.51 0.10 1.28 0.04 0.00 0.00 177.00 178.02 2kzn n LEU 51 N 3.97 0.00 -3.65 -3.56 4.77 -0.33 -4.71 117.00 113.49 2kzn n LEU 51 Ca 0.13 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2kzn n LEU 51 Cb 0.41 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2kzn n LEU 51 CO 0.60 0.03 0.96 0.12 -1.33 0.00 0.00 177.39 177.76 2kzn s PHE 52 N -2.34 -0.08 0.16 -1.77 5.36 -1.15 -0.67 117.98 117.50 2kzn s PHE 52 Ca -0.02 -0.08 -0.26 0.00 -0.96 0.00 0.00 56.93 55.61 2kzn s PHE 52 Cb 0.03 0.57 -0.08 0.00 -0.34 0.00 0.00 43.02 43.20 2kzn s PHE 52 CO 0.23 -0.42 0.80 0.99 -1.46 0.00 0.00 175.22 175.36 2kzn s THR 53 N -2.67 4.36 -0.26 0.12 2.01 -1.26 -0.74 115.64 117.20 2kzn s THR 53 Ca 0.13 1.76 0.19 0.00 0.31 0.00 0.00 61.69 64.08 2kzn s THR 53 Cb 0.03 -4.17 0.13 0.00 0.01 0.00 0.00 72.50 68.50 2kzn s THR 53 CO -0.02 0.50 1.38 -1.28 -0.69 0.00 0.00 174.62 174.51 2kzn h SER 54 N 4.45 0.00 -0.43 3.53 0.87 -1.43 -3.25 113.55 117.29 2kzn h SER 54 Ca -0.46 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.01 2kzn h SER 54 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2kzn h SER 54 CO 0.67 0.27 -0.03 0.50 -0.53 0.00 0.00 176.83 177.71 2kzn h LYS 55 N 0.00 0.84 -0.92 2.24 3.64 -1.77 -3.01 116.57 117.60 2kzn h LYS 55 Ca -0.02 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2kzn h LYS 55 Cb 1.22 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.86 2kzn h LYS 55 CO 0.03 0.86 0.21 -0.25 -2.27 0.00 0.00 179.45 178.03 2kzn n ASP 56 N -4.19 3.41 -4.75 4.20 9.92 -1.23 -4.94 116.55 118.97 2kzn n ASP 56 Ca 0.02 -2.69 -0.41 0.00 -0.53 0.00 0.00 54.79 51.18 2kzn n ASP 56 Cb 0.33 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 2kzn n ASP 56 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kzn s LYS 57 N -1.78 4.44 -0.16 -1.24 2.36 -1.14 -4.73 119.74 117.50 2kzn s LYS 57 Ca 0.29 2.02 -0.10 0.00 -2.55 0.00 0.00 55.97 55.62 2kzn s LYS 57 Cb 0.23 -3.17 -0.05 0.00 -1.05 0.00 0.00 37.83 33.80 2kzn s LYS 57 CO 0.07 -0.12 0.17 0.12 1.55 0.00 0.00 175.35 177.14 2kzn s PHE 58 N -0.44 3.49 -0.16 4.03 5.36 -1.19 -4.97 117.98 124.09 2kzn s PHE 58 Ca 0.52 0.47 -0.35 0.00 -0.96 0.00 0.00 56.93 56.60 2kzn s PHE 58 Cb -0.36 -2.13 -0.12 0.00 -0.34 0.00 0.00 43.02 40.07 2kzn s PHE 58 CO 0.42 0.43 1.90 -3.47 -1.46 0.00 0.00 175.22 173.04 2kzn n ASP 59 N 2.98 3.10 -4.55 6.13 2.03 -1.26 -3.23 116.55 121.76 2kzn n ASP 59 Ca -0.16 0.92 -0.42 0.00 0.52 0.00 0.00 54.79 55.64 2kzn n ASP 59 Cb 0.53 -1.32 -0.02 0.00 -0.72 0.00 0.00 41.12 39.59 2kzn n ASP 59 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kzn s SER 60 N 4.42 6.64 0.02 1.67 1.04 -1.26 -4.77 113.70 121.46 2kzn s SER 60 Ca 0.96 -1.88 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 2kzn s SER 60 Cb -0.78 -2.54 -0.35 0.00 0.10 0.00 0.00 66.02 62.45 2kzn s SER 60 CO 0.54 -1.32 0.96 1.56 0.98 0.00 0.00 173.24 175.96 2kzn h GLN 61 N 8.93 0.51 -0.00 4.02 4.20 -1.89 -3.23 115.11 127.65 2kzn h GLN 61 Ca 0.27 -0.88 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2kzn h GLN 61 Cb 0.97 0.33 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2kzn h GLN 61 CO 1.39 1.42 -0.03 0.00 -0.67 0.00 0.00 178.83 180.94 2kzn n GLY 63 N 1.39 1.27 3.38 0.00 0.00 -1.22 -5.07 105.19 104.95 2kzn n GLY 63 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.26 3.08 0.06 1.61 0.51 -1.26 -4.80 118.94 115.87 2kzn s TRP 64 Ca 0.00 -0.72 -0.30 0.00 -2.12 0.00 0.00 56.10 52.95 2kzn s TRP 64 Cb 0.00 -2.22 -0.09 0.00 -0.81 0.00 0.00 33.47 30.36 2kzn s TRP 64 CO 0.00 -0.48 1.80 -1.25 -0.51 0.00 0.00 176.95 176.51 2kzn s PRO 65 N 1.55 4.16 -0.25 4.98 0.04 -1.26 -4.65 135.00 139.57 2kzn s PRO 65 Ca 0.05 2.48 -0.22 0.00 0.04 0.00 0.00 61.00 63.35 2kzn s PRO 65 Cb -0.16 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2kzn s PRO 65 CO 0.02 -0.85 0.72 -1.12 0.04 0.00 0.00 177.00 175.81 2kzn s SER 66 N 3.20 6.69 -0.33 6.66 0.01 -1.20 -4.31 113.70 124.42 2kzn s SER 66 Ca 0.80 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 58.67 2kzn s SER 66 Cb -0.42 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.44 2kzn s SER 66 CO 0.36 -0.43 0.85 -0.36 0.41 0.00 0.00 173.24 174.07 2kzn s PHE 67 N 2.64 3.15 -0.11 2.43 0.08 -1.24 -3.18 117.98 121.75 2kzn s PHE 67 Ca 0.30 0.79 0.14 0.00 0.12 0.00 0.00 56.93 58.28 2kzn s PHE 67 Cb -0.15 -3.40 0.01 0.00 -0.57 0.00 0.00 43.02 38.91 2kzn s PHE 67 CO 0.08 -0.68 1.41 0.00 -0.10 0.00 0.00 175.22 175.93 2kzn h THR 68 N 5.69 1.02 -1.27 0.64 1.03 -1.92 -3.36 112.91 114.75 2kzn h THR 68 Ca -0.24 -2.44 -0.09 0.00 -0.01 0.00 0.00 66.41 63.64 2kzn h THR 68 Cb 1.09 2.50 -0.23 0.00 -1.07 0.00 0.00 68.15 70.44 2kzn h THR 68 CO 0.93 0.58 -0.47 -0.75 -0.01 0.00 0.00 175.52 175.80 2kzn s LYS 69 N -2.91 0.60 1.08 0.00 2.20 -1.26 -4.75 119.74 114.69 2kzn s LYS 69 Ca 0.03 0.11 -0.18 0.00 -0.36 0.00 0.00 55.97 55.57 2kzn s LYS 69 Cb 0.08 -0.02 0.26 0.00 -1.51 0.00 0.00 37.83 36.64 2kzn s LYS 69 CO 0.76 -1.10 1.21 -0.35 -0.36 0.00 0.00 175.35 175.51 2kzn n PRO 70 N 5.04 -2.14 -2.86 4.03 -0.04 -1.26 -4.86 135.00 132.91 2kzn n PRO 70 Ca 0.06 -1.89 -0.43 0.00 -0.04 0.00 0.00 63.50 61.20 2kzn n PRO 70 Cb 0.53 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.45 4.50 -0.77 0.52 1.01 0.16 -4.87 121.20 118.30 2kzn s ILE 71 Ca 0.72 -1.13 0.17 0.00 0.00 0.00 0.00 60.65 60.42 2kzn s ILE 71 Cb -0.04 -4.79 0.16 0.00 0.01 0.00 0.00 42.46 37.80 2kzn s ILE 71 CO 0.53 -1.55 1.53 -1.84 0.00 0.00 0.00 174.94 173.61 2kzn n GLU 72 N 7.19 0.08 -0.16 2.79 0.28 -1.26 -2.47 120.64 127.09 2kzn n GLU 72 Ca 0.17 0.35 0.01 0.00 -0.16 0.00 0.00 57.16 57.53 2kzn n GLU 72 Cb 0.48 -1.66 0.29 0.00 1.43 0.00 0.00 31.44 31.98 2kzn n GLU 72 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2kzn h GLU 73 N 0.00 0.87 0.00 3.44 4.81 -1.96 -3.13 114.58 118.60 2kzn h GLU 73 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kzn h GLU 73 Cb 0.27 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2kzn h GLU 73 CO 0.00 0.59 -0.05 0.39 -0.73 0.00 0.00 179.01 179.21 2kzn n GLU 74 N -4.43 1.75 -4.22 1.92 4.71 -1.03 -4.99 120.64 114.35 2kzn n GLU 74 Ca 0.07 -1.55 -0.34 0.00 -0.01 0.00 0.00 57.16 55.32 2kzn n GLU 74 Cb 0.05 -0.99 -0.13 0.00 -1.01 0.00 0.00 31.44 29.35 2kzn n GLU 74 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2kzn s VAL 75 N -1.21 3.63 -0.09 2.62 1.01 -1.06 -4.34 120.40 120.97 2kzn s VAL 75 Ca 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2kzn s VAL 75 Cb 0.07 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2kzn s VAL 75 CO 0.01 0.46 -0.12 -0.70 0.00 0.00 0.00 175.10 174.75 2kzn s GLU 76 N 0.88 1.77 0.42 2.72 2.12 -1.26 -4.69 118.70 120.66 2kzn s GLU 76 Ca -0.01 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 54.68 2kzn s GLU 76 Cb -0.15 -1.56 -0.08 0.00 0.26 0.00 0.00 34.13 32.60 2kzn s GLU 76 CO 0.01 -0.07 1.12 -1.83 -0.54 0.00 0.00 175.26 173.95 2kzn s GLU 77 N 1.01 3.97 -0.33 4.30 -1.05 -1.26 -1.34 118.70 124.00 2kzn s GLU 77 Ca -0.08 1.68 0.02 0.00 -0.15 0.00 0.00 54.97 56.44 2kzn s GLU 77 Cb -0.15 -2.51 0.15 0.00 -0.44 0.00 0.00 34.13 31.19 2kzn s GLU 77 CO -0.01 -0.34 0.39 0.21 0.95 0.00 0.00 175.26 176.45 2kzn s LYS 78 N -2.55 0.51 0.22 -4.83 2.47 0.95 -4.90 119.74 111.60 2kzn s LYS 78 Ca 0.60 -0.35 -0.31 0.00 -1.56 0.00 0.00 55.97 54.35 2kzn s LYS 78 Cb -0.26 -0.52 -0.11 0.00 -1.46 0.00 0.00 37.83 35.48 2kzn s LYS 78 CO 0.32 -1.11 1.57 -1.17 0.16 0.00 0.00 175.35 175.12 2kzn s LEU 79 N 2.02 4.37 0.09 5.43 2.96 -1.26 -0.61 118.68 131.67 2kzn s LEU 79 Ca 0.13 2.74 0.04 0.00 -0.22 0.00 0.00 54.13 56.81 2kzn s LEU 79 Cb -0.13 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2kzn s LEU 79 CO -0.19 -0.84 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.28 2kzn s ASP 80 N 0.83 1.42 0.00 3.68 2.15 0.20 -4.94 116.67 120.01 2kzn s ASP 80 Ca 0.67 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2kzn s ASP 80 Cb -0.45 0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 2kzn s ASP 80 CO 0.38 -0.24 0.00 1.07 -0.17 0.00 0.00 175.17 176.21 2kzn n THR 81 N 0.73 0.00 -0.09 1.71 5.66 -1.26 -2.62 114.28 118.41 2kzn n THR 81 Ca -0.17 -0.15 -0.05 0.00 -3.05 0.00 0.00 64.05 60.63 2kzn n THR 81 Cb 0.57 0.66 0.15 0.00 -1.55 0.00 0.00 70.33 70.17 2kzn n THR 81 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2kzn h SER 82 N 0.00 0.73 -0.10 1.09 0.02 -1.96 -2.85 113.55 110.48 2kzn h SER 82 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kzn h SER 82 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2kzn h SER 82 CO 0.00 0.84 0.00 1.41 -1.14 0.00 0.00 176.83 177.94 2kzn n HIS 83 N -4.19 0.19 0.00 3.45 8.25 -1.26 -4.86 115.22 116.80 2kzn n HIS 83 Ca 0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kzn n HIS 83 Cb 0.33 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 0.51 2.54 3.16 -1.41 0.00 -1.07 -5.04 105.19 103.88 2kzn n GLY 84 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 0.82 -0.52 1.61 -1.94 -1.26 -5.08 119.30 112.65 2kzn s MET 85 Ca 0.00 -1.23 -0.27 0.00 -1.71 0.00 0.00 55.69 52.48 2kzn s MET 85 Cb 0.00 -0.33 0.03 0.00 2.01 0.00 0.00 34.83 36.54 2kzn s MET 85 CO 0.00 0.02 1.07 0.42 -0.01 0.00 0.00 175.02 176.52 2kzn s ILE 86 N -3.03 4.24 0.15 2.53 -1.09 -1.26 -4.20 121.20 118.54 2kzn s ILE 86 Ca 0.08 0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 59.16 2kzn s ILE 86 Cb 0.01 -4.59 0.03 0.00 -1.58 0.00 0.00 42.46 36.33 2kzn s ILE 86 CO -0.02 -1.10 0.42 -0.13 -1.23 0.00 0.00 174.94 172.87 2kzn s ARG 87 N 4.35 1.16 -0.02 2.79 0.52 -1.08 -4.97 118.95 121.70 2kzn s ARG 87 Ca 0.40 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 2kzn s ARG 87 Cb -0.09 0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.80 2kzn s ARG 87 CO 0.26 -0.46 0.29 0.99 0.02 0.00 0.00 175.30 176.40 2kzn s THR 88 N -3.84 5.26 0.04 0.02 2.01 -1.24 -0.62 115.64 117.26 2kzn s THR 88 Ca 0.06 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2kzn s THR 88 Cb 0.01 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2kzn s THR 88 CO -0.08 0.49 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.37 2kzn s GLU 89 N -1.37 0.93 -0.30 4.92 -1.05 0.21 -0.92 118.70 121.12 2kzn s GLU 89 Ca 0.23 -0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 54.18 2kzn s GLU 89 Cb -0.14 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.58 2kzn s GLU 89 CO 0.12 0.23 0.20 0.14 0.95 0.00 0.00 175.26 176.90 2kzn s VAL 90 N -0.86 5.27 -0.28 1.83 -7.23 -0.24 -0.03 120.40 118.85 2kzn s VAL 90 Ca 0.01 0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.05 2kzn s VAL 90 Cb -0.08 -3.58 0.09 0.00 0.56 0.00 0.00 36.38 33.38 2kzn s VAL 90 CO 0.01 0.16 0.74 0.00 -0.31 0.00 0.00 175.10 175.70 2kzn s ARG 91 N 1.74 0.65 0.19 4.82 1.70 -0.45 -2.44 118.95 125.16 2kzn s ARG 91 Ca 0.07 1.14 0.03 0.00 -0.47 0.00 0.00 55.73 56.49 2kzn s ARG 91 Cb -0.16 0.14 0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2kzn s ARG 91 CO 0.11 -0.14 0.23 0.45 -1.08 0.00 0.00 175.30 174.87 2kzn n SER 92 N 4.23 0.95 -0.07 -2.89 2.88 -0.77 -4.17 113.62 113.78 2kzn n SER 92 Ca -0.20 -1.54 -0.07 0.00 -1.33 0.00 0.00 58.87 55.73 2kzn n SER 92 Cb 0.59 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2kzn n SER 92 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kzn h ARG 93 N 0.00 0.00 0.04 -1.46 9.65 -1.91 -2.92 114.38 117.78 2kzn h ARG 93 Ca -0.10 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2kzn h ARG 93 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2kzn h ARG 93 CO 0.14 0.30 -0.02 1.15 2.80 0.00 0.00 179.97 184.34 2kzn h THR 94 N -1.00 0.00 0.00 0.20 2.02 -1.99 -3.41 112.91 108.72 2kzn h THR 94 Ca -0.05 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2kzn h THR 94 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2kzn h THR 94 CO -0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.86 2kzn n ALA 95 N -2.13 2.01 -0.37 6.16 0.00 -1.26 -4.82 120.51 120.09 2kzn n ALA 95 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2kzn n ALA 95 Cb 0.02 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.27 4.18 0.00 0.00 9.92 -1.26 -4.03 116.55 125.10 2kzn n ASP 96 Ca 0.00 -2.22 0.09 0.00 -0.53 0.00 0.00 54.79 52.14 2kzn n ASP 96 Cb 0.02 -0.52 0.45 0.00 -0.64 0.00 0.00 41.12 40.43 2kzn n ASP 96 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kzn n SER 97 N 1.32 0.00 -0.03 -2.24 7.64 -1.10 -1.85 113.62 117.36 2kzn n SER 97 Ca 0.24 0.24 0.15 0.00 1.01 0.00 0.00 58.87 60.52 2kzn n SER 97 Cb 0.73 -0.39 0.81 0.00 -1.01 0.00 0.00 64.21 64.35 2kzn n SER 97 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kzn n HIS 98 N -1.39 0.00 0.00 1.43 8.25 -1.26 -4.51 115.22 117.75 2kzn n HIS 98 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2kzn n HIS 98 Cb 0.19 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2kzn n HIS 98 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2kzn n LEU 99 N -1.06 0.00 0.00 2.41 4.77 -1.25 -4.71 117.00 117.16 2kzn n LEU 99 Ca 0.19 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2kzn n LEU 99 Cb 0.20 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2kzn n LEU 99 CO 0.21 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 2kzn n GLY 100 N -0.79 -0.09 3.59 -0.72 0.00 -1.02 -2.97 105.19 103.19 2kzn n GLY 100 Ca 0.00 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.07 2.48 0.06 1.61 3.76 -0.86 -1.08 115.29 118.19 2kzn s HIS 101 Ca 0.00 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 2kzn s HIS 101 Cb 0.00 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 2kzn s HIS 101 CO 0.00 0.54 -0.11 0.14 -0.85 0.00 0.00 174.74 174.46 2kzn s VAL 102 N -2.54 0.85 0.24 -0.90 -7.23 -0.10 -1.00 120.40 109.73 2kzn s VAL 102 Ca 0.33 -1.22 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2kzn s VAL 102 Cb 0.00 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2kzn s VAL 102 CO 0.18 -0.31 0.46 -0.36 -0.31 0.00 0.00 175.10 174.76 2kzn s PHE 103 N -1.36 3.48 -0.65 2.82 0.08 -0.91 -3.63 117.98 117.81 2kzn s PHE 103 Ca -0.05 0.42 -0.07 0.00 0.12 0.00 0.00 56.93 57.35 2kzn s PHE 103 Cb -0.10 -1.92 -0.14 0.00 -0.57 0.00 0.00 43.02 40.29 2kzn s PHE 103 CO 0.01 0.29 3.22 0.09 -0.10 0.00 0.00 175.22 178.73 2kzn n ASN 104 N -0.89 6.68 0.14 1.36 4.13 -1.26 -3.02 115.26 122.40 2kzn n ASN 104 Ca -0.04 -2.66 0.10 0.00 1.68 0.00 0.00 54.58 53.66 2kzn n ASN 104 Cb 0.54 -1.43 0.05 0.00 -1.54 0.00 0.00 39.78 37.40 2kzn n ASN 104 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 2kzn h ASP 105 N 3.72 0.00 -5.62 6.41 3.58 -1.93 -3.48 116.42 119.10 2kzn h ASP 105 Ca 0.46 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.58 2kzn h ASP 105 Cb 0.95 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 2kzn h ASP 105 CO 0.88 0.08 -0.24 -0.83 -2.88 0.00 0.00 179.24 176.24 2kzn s GLY 106 N -4.36 1.73 1.37 -0.78 0.00 -1.26 -4.87 107.32 99.15 2kzn s GLY 106 Ca 0.02 -1.67 -0.20 0.00 0.00 0.00 0.00 44.72 42.87 2kzn s GLY 106 CO 0.75 -1.11 0.95 2.56 0.00 0.00 0.00 173.10 176.25 2kzn s PRO 107 N -3.05 -2.52 0.78 2.90 0.04 -1.26 -4.08 135.00 127.80 2kzn s PRO 107 Ca 0.33 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.51 2kzn s PRO 107 Cb -0.00 -1.41 -0.13 0.00 0.04 0.00 0.00 34.50 33.00 2kzn s PRO 107 CO 0.23 -4.66 -1.05 0.41 0.04 0.00 0.00 177.00 171.97 2kzn n GLY 108 N 1.36 -2.22 0.03 0.56 0.00 -1.26 -1.79 105.19 101.86 2kzn n GLY 108 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kzn n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kzn n PRO 109 N 2.10 -0.01 0.33 1.61 -0.02 -1.26 -0.76 135.00 136.98 2kzn n PRO 109 Ca -0.01 0.11 0.21 0.00 -2.02 0.00 0.00 63.50 61.79 2kzn n PRO 109 Cb 0.51 -0.16 1.12 0.00 -0.02 0.00 0.00 33.50 34.95 2kzn n PRO 109 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kzn h ASN 110 N 0.00 0.00 0.00 2.55 -0.00 -1.89 -3.32 115.58 112.92 2kzn h ASN 110 Ca 0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.14 2kzn h ASN 110 Cb 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 2kzn h ASN 110 CO -0.07 0.00 -1.47 0.61 -0.00 0.00 0.00 177.43 176.51 2kzn n GLY 111 N -0.97 -0.63 3.14 9.14 0.00 0.06 -4.78 105.19 111.15 2kzn n GLY 111 Ca -0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2kzn n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kzn n LEU 112 N -4.41 -2.31 -4.39 0.99 4.32 -0.74 -4.22 117.00 106.23 2kzn n LEU 112 Ca -0.29 -0.15 -0.41 0.00 -0.02 0.00 0.00 56.01 55.14 2kzn n LEU 112 Cb 0.62 -0.78 -0.11 0.00 -1.62 0.00 0.00 43.42 41.53 2kzn n LEU 112 CO 0.13 -2.92 -0.12 -0.60 -1.22 0.00 0.00 177.39 172.66 2kzn s ARG 113 N -3.04 2.85 -0.56 3.23 6.06 -1.17 -4.84 118.95 121.49 2kzn s ARG 113 Ca 0.45 -1.10 -0.28 0.00 -2.50 0.00 0.00 55.73 52.29 2kzn s ARG 113 Cb -0.04 -3.83 0.03 0.00 0.06 0.00 0.00 34.95 31.17 2kzn s ARG 113 CO 0.57 -0.75 1.25 0.71 -2.50 0.00 0.00 175.30 174.58 2kzn s TYR 114 N 1.59 2.54 -0.73 5.12 1.51 -1.26 -2.15 117.35 123.97 2kzn s TYR 114 Ca 0.03 0.47 -0.17 0.00 -1.01 0.00 0.00 57.07 56.38 2kzn s TYR 114 Cb -0.20 -4.48 0.15 0.00 -0.11 0.00 0.00 41.96 37.33 2kzn s TYR 114 CO 0.07 -1.67 0.79 0.00 -1.11 0.00 0.00 175.55 173.63 2kzn s ILE 116 N 1.79 3.28 0.03 0.00 -1.09 -1.26 -2.02 121.20 121.92 2kzn s ILE 116 Ca 0.17 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 2kzn s ILE 116 Cb -0.17 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 2kzn s ILE 116 CO -0.02 0.51 0.98 0.54 -1.23 0.00 0.00 174.94 175.72 2kzn s ASN 117 N 0.43 7.40 0.47 3.58 2.20 -1.16 -4.26 114.94 123.60 2kzn s ASN 117 Ca -0.08 1.69 0.32 0.00 -0.94 0.00 0.00 52.86 53.85 2kzn s ASN 117 Cb -0.15 -2.57 1.44 0.00 -2.00 0.00 0.00 41.25 37.96 2kzn s ASN 117 CO 0.04 -0.22 1.94 0.28 -2.94 0.00 0.00 177.10 176.21 2kzn h SER 118 N 6.52 0.00 -0.51 3.54 0.02 -1.93 -1.59 113.55 119.60 2kzn h SER 118 Ca -0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2kzn h SER 118 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2kzn h SER 118 CO 0.74 0.00 0.25 0.00 -1.14 0.00 0.00 176.83 176.69 2kzn h ALA 119 N 2.07 0.66 -0.11 3.77 0.00 -1.96 -3.12 119.26 120.57 2kzn h ALA 119 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2kzn h ALA 119 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kzn h ALA 119 CO 0.00 0.22 -0.52 0.00 0.00 0.00 0.00 179.25 178.95 2kzn h ALA 120 N 1.09 0.90 -2.32 0.00 0.00 -1.58 -3.44 119.26 113.92 2kzn h ALA 120 Ca 0.18 -0.49 -0.50 0.00 0.00 0.00 0.00 54.91 54.10 2kzn h ALA 120 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kzn h ALA 120 CO -0.02 0.67 0.10 -0.51 0.00 0.00 0.00 179.25 179.49 2kzn s LEU 121 N -8.13 3.92 -0.17 0.00 1.43 -1.17 -1.63 118.68 112.93 2kzn s LEU 121 Ca -0.05 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 2kzn s LEU 121 Cb 0.12 -4.02 0.07 0.00 0.03 0.00 0.00 46.19 42.39 2kzn s LEU 121 CO 0.80 -0.33 0.17 -0.60 0.23 0.00 0.00 176.35 176.63 2kzn s ARG 122 N -3.54 0.12 0.05 1.70 3.52 0.56 -4.82 118.95 116.55 2kzn s ARG 122 Ca 0.52 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 2kzn s ARG 122 Cb -0.10 -1.13 -0.05 0.00 -1.56 0.00 0.00 34.95 32.11 2kzn s ARG 122 CO 0.26 -0.57 1.11 -0.59 -0.81 0.00 0.00 175.30 174.70 2kzn s PHE 123 N 2.27 3.54 -0.13 5.12 -0.71 -1.26 -1.43 117.98 125.39 2kzn s PHE 123 Ca 0.05 1.48 0.02 0.00 -1.04 0.00 0.00 56.93 57.44 2kzn s PHE 123 Cb -0.15 -3.29 0.01 0.00 -1.21 0.00 0.00 43.02 38.38 2kzn s PHE 123 CO -0.10 -0.74 -0.21 0.08 -1.34 0.00 0.00 175.22 172.91 2kzn s VAL 124 N 0.93 1.93 0.30 -2.49 1.01 -0.36 -4.90 120.40 116.82 2kzn s VAL 124 Ca 0.55 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2kzn s VAL 124 Cb -0.26 -1.71 -0.13 0.00 0.00 0.00 0.00 36.38 34.28 2kzn s VAL 124 CO 0.29 0.53 1.28 -2.65 0.00 0.00 0.00 175.10 174.55 2kzn n PRO 125 N 4.05 1.96 0.06 2.72 -0.02 -1.23 -0.62 135.00 141.91 2kzn n PRO 125 Ca -0.20 0.69 0.17 0.00 -2.02 0.00 0.00 63.50 62.15 2kzn n PRO 125 Cb 0.52 -2.26 0.68 0.00 -0.02 0.00 0.00 33.50 32.41 2kzn n PRO 125 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kzn h LYS 126 N 2.97 0.01 -0.15 -0.52 -0.00 -1.86 0.09 116.57 117.11 2kzn h LYS 126 Ca -0.45 -0.00 -0.22 0.00 -0.00 0.00 0.00 60.65 59.99 2kzn h LYS 126 Cb 1.29 -0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.53 2kzn h LYS 126 CO 0.66 0.00 -0.76 1.25 -0.00 0.00 0.00 179.45 180.61 2kzn h HIS 127 N 0.01 0.99 0.00 0.07 6.17 -1.91 -3.29 115.15 117.19 2kzn h HIS 127 Ca 0.20 -0.43 0.00 0.00 0.71 0.00 0.00 60.37 60.84 2kzn h HIS 127 Cb 0.77 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.55 2kzn h HIS 127 CO -0.00 1.25 0.00 -0.22 0.71 0.00 0.00 177.93 179.67 2kzn h LYS 128 N 0.50 0.00 -0.46 5.26 1.63 -1.39 -3.03 116.57 119.09 2kzn h LYS 128 Ca -0.05 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2kzn h LYS 128 Cb 1.38 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2kzn h LYS 128 CO 0.15 0.00 0.18 -0.07 -3.45 0.00 0.00 179.45 176.26 2kzn h LEU 129 N 0.00 0.59 -1.84 5.20 3.38 -1.27 -2.35 115.31 119.01 2kzn h LEU 129 Ca 0.00 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.05 2kzn h LEU 129 Cb 0.80 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2kzn h LEU 129 CO 0.00 0.53 0.42 0.50 0.09 0.00 0.00 178.44 179.98 2kzn h LYS 130 N 0.65 0.16 0.10 1.13 3.64 -1.70 0.59 116.57 121.14 2kzn h LYS 130 Ca 0.16 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 2kzn h LYS 130 Cb 0.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2kzn h LYS 130 CO -0.02 0.10 -1.16 1.49 -2.27 0.00 0.00 179.45 177.59 2kzn h GLU 131 N 0.16 0.22 -0.54 1.90 4.81 -1.70 -3.41 114.58 116.03 2kzn h GLU 131 Ca 0.29 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2kzn h GLU 131 Cb 0.91 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kzn h GLU 131 CO -0.04 1.18 0.01 -1.91 -0.73 0.00 0.00 179.01 177.52 2kzn n GLU 132 N -4.06 4.63 0.00 1.92 2.13 -0.29 -4.81 120.64 120.16 2kzn n GLU 132 Ca -0.22 -3.13 0.00 0.00 0.66 0.00 0.00 57.16 54.47 2kzn n GLU 132 Cb 0.84 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.33 2kzn n GLU 132 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kzn n GLY 133 N 0.44 0.72 0.65 8.31 0.00 0.29 -4.94 105.19 110.65 2kzn n GLY 133 Ca 0.28 -0.31 0.47 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.07 1.61 -0.00 -0.18 -1.47 116.97 116.86 2kzn h TYR 134 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.75 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 0.32 0.93 -0.00 0.00 0.00 178.16 179.41 2kzn h GLU 135 N 0.00 0.00 0.10 0.10 5.08 -1.94 0.18 114.58 118.10 2kzn h GLU 135 Ca 0.80 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.83 2kzn h GLU 135 Cb 3.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 32.44 2kzn h GLU 135 CO -0.01 0.00 -1.73 1.03 -1.00 0.00 0.00 179.01 177.30 2kzn h SER 136 N 0.00 0.34 0.00 1.42 0.87 -1.66 -2.67 113.55 111.85 2kzn h SER 136 Ca 0.03 -0.60 -0.08 0.00 -1.23 0.00 0.00 61.79 59.92 2kzn h SER 136 Cb 0.67 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2kzn h SER 136 CO -0.00 1.52 -0.99 0.00 -0.53 0.00 0.00 176.83 176.83 2kzn n TYR 137 N -3.39 0.00 0.20 2.24 9.36 -1.03 -4.15 117.16 120.38 2kzn n TYR 137 Ca -0.22 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.03 2kzn n TYR 137 Cb 1.05 -0.40 0.41 0.00 -0.63 0.00 0.00 39.34 39.76 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 -0.63 0.00 0.00 2.98 4.07 -0.92 0.31 115.31 121.11 2kzn h LEU 138 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 2kzn h LEU 138 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2kzn h LEU 138 CO -0.07 0.32 -0.09 -0.74 -1.08 0.00 0.00 178.44 176.78 2kzn h HIS 139 N 0.00 0.00 -0.26 1.13 2.76 -1.58 -3.30 115.15 113.90 2kzn h HIS 139 Ca -0.00 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2kzn h HIS 139 Cb 0.57 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 2kzn h HIS 139 CO 0.00 0.00 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.45 2kzn h LEU 140 N -0.18 -0.38 0.00 0.26 3.38 -1.49 -2.70 115.31 114.20 2kzn h LEU 140 Ca 0.00 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2kzn h LEU 140 Cb 0.09 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2kzn h LEU 140 CO 0.00 -0.14 -1.67 0.33 0.09 0.00 0.00 178.44 177.04 2kzn n PHE 141 N -5.28 0.61 -2.11 1.13 7.35 -0.52 -5.04 117.46 113.60 2kzn n PHE 141 Ca -0.01 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2kzn n PHE 141 Cb 0.20 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.08 2kzn n PHE 141 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2kzn n ASN 142 N -2.72 -8.95 -4.48 -2.13 2.85 0.97 -4.88 115.26 95.92 2kzn n ASN 142 Ca -0.12 1.42 -0.43 0.00 -0.11 0.00 0.00 54.58 55.35 2kzn n ASN 142 Cb 0.82 -5.12 -0.03 0.00 1.24 0.00 0.00 39.78 36.68 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 -0.56 3.25 -0.51 1.20 2.36 -1.24 -4.92 119.74 119.31 2kzn s LYS 143 Ca 0.00 -0.92 -0.26 0.00 -2.55 0.00 0.00 55.97 52.24 2kzn s LYS 143 Cb 0.00 -4.44 -0.05 0.00 -1.05 0.00 0.00 37.83 32.28 2kzn s LYS 143 CO 0.00 -1.90 2.23 -0.51 1.55 0.00 0.00 175.35 176.72 2kzn s LEU 144 N 4.19 3.38 0.00 5.43 2.01 -1.26 -4.75 118.68 127.67 2kzn s LEU 144 Ca 0.28 0.89 0.27 0.00 0.01 0.00 0.00 54.13 55.58 2kzn s LEU 144 Cb -0.12 -2.57 0.77 0.00 0.01 0.00 0.00 46.19 44.29 2kzn s LEU 144 CO 0.06 -2.68 1.58 -0.62 1.01 0.00 0.00 176.35 175.69 2kzn n GLU 145 N 9.04 1.30 -4.29 1.70 1.02 -1.26 -4.93 120.64 123.23 2kzn n GLU 145 Ca 0.31 -0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 56.44 2kzn n GLU 145 Cb 0.54 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 2kzn n GLU 145 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kzn s HIS 146 N -2.26 1.56 -2.06 -0.32 -3.43 -1.26 -5.35 115.29 102.16 2kzn s HIS 146 Ca 0.30 -0.55 0.32 0.00 -0.80 0.00 0.00 55.06 54.32 2kzn s HIS 146 Cb 0.20 -0.78 1.81 0.00 -1.43 0.00 0.00 32.58 32.37 2kzn s HIS 146 CO 0.43 0.23 2.17 0.72 -2.00 0.00 0.00 174.74 176.30