#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kys n HIS 2 N 0.00 0.00 -1.36 1.61 -0.00 -1.26 -5.17 115.22 109.03 2kys n HIS 2 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.89 2kys n HIS 2 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 2kys n HIS 2 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kys n SER 3 N -1.34 -8.17 -4.69 4.39 7.64 -1.26 -4.74 113.62 105.46 2kys n SER 3 Ca 0.00 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.47 2kys n SER 3 Cb 0.00 -4.42 -0.05 0.00 -1.01 0.00 0.00 64.21 58.73 2kys n SER 3 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kys s LYS 4 N -3.23 4.32 0.00 1.43 0.00 -1.26 -4.94 119.74 116.06 2kys s LYS 4 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 55.97 56.75 2kys s LYS 4 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.31 2kys s LYS 4 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 175.35 175.24 2kys n MET 5 N 4.49 0.00 -1.31 1.78 0.00 -1.26 -4.75 117.12 116.07 2kys n MET 5 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 2kys n MET 5 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.68 2kys n MET 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2kys n SER 6 N 0.00 -5.10 -1.94 3.17 7.64 -1.26 -4.12 113.62 112.00 2kys n SER 6 Ca 0.00 0.26 -0.01 0.00 1.01 0.00 0.00 58.87 60.13 2kys n SER 6 Cb 0.00 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 2kys n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kys n ASP 7 N -0.69 -3.78 -3.47 6.43 -0.08 -1.26 -4.41 116.55 109.27 2kys n ASP 7 Ca -0.11 0.07 -0.27 0.00 -1.51 0.00 0.00 54.79 52.97 2kys n ASP 7 Cb 0.48 -2.32 -0.09 0.00 2.34 0.00 0.00 41.12 41.54 2kys n ASP 7 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2kys n VAL 8 N -0.85 2.07 -0.97 5.18 0.24 -1.26 -4.02 118.33 118.72 2kys n VAL 8 Ca 0.02 -5.09 0.06 0.00 -2.04 0.00 0.00 64.34 57.28 2kys n VAL 8 Cb 0.32 -2.10 0.08 0.00 -1.47 0.00 0.00 33.84 30.68 2kys n VAL 8 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2kys n LYS 9 N 1.05 1.40 -2.93 7.34 2.85 -1.26 -5.04 118.16 121.56 2kys n LYS 9 Ca 0.28 -2.01 -0.03 0.00 -1.05 0.00 0.00 58.31 55.50 2kys n LYS 9 Cb 0.41 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys s THR 11 N -1.50 5.26 -0.04 0.00 -1.32 -1.26 -4.89 115.64 111.89 2kys s THR 11 Ca 0.04 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.34 2kys s THR 11 Cb -0.01 -3.63 0.01 0.00 -1.51 0.00 0.00 72.50 67.36 2kys s THR 11 CO 0.53 0.07 0.05 -1.20 -2.21 0.00 0.00 174.62 171.86 2kys n SER 12 N 0.13 -6.21 0.24 8.08 7.64 -1.26 -4.78 113.62 117.45 2kys n SER 12 Ca -0.04 1.00 0.13 0.00 1.01 0.00 0.00 58.87 60.97 2kys n SER 12 Cb 0.52 -2.31 0.67 0.00 -1.01 0.00 0.00 64.21 62.08 2kys n SER 12 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kys h VAL 13 N 4.76 0.00 -0.87 0.44 -1.51 -1.99 -2.37 116.25 114.71 2kys h VAL 13 Ca -0.11 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.59 2kys h VAL 13 Cb 0.32 0.55 -0.15 0.00 -2.13 0.00 0.00 31.29 29.88 2kys h VAL 13 CO 0.00 0.00 0.14 0.58 -1.23 0.00 0.00 177.57 177.06 2kys h VAL 14 N 0.00 0.26 0.19 7.19 2.07 -2.00 0.74 116.25 124.69 2kys h VAL 14 Ca 0.00 -0.05 -0.35 0.00 0.82 0.00 0.00 66.70 67.12 2kys h VAL 14 Cb 0.38 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2kys h VAL 14 CO 0.00 0.03 -1.72 0.17 0.02 0.00 0.00 177.57 176.06 2kys h LEU 15 N 0.14 0.63 -1.25 2.57 -0.00 -1.73 -3.36 115.31 112.30 2kys h LEU 15 Ca 0.53 -0.94 -0.07 0.00 -0.00 0.00 0.00 57.88 57.40 2kys h LEU 15 Cb 1.05 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2kys h LEU 15 CO -0.71 1.78 -0.28 -0.07 -0.00 0.00 0.00 178.44 179.16 2kys h LEU 16 N 0.09 0.14 -0.81 0.17 -0.00 -1.45 -1.96 115.31 111.49 2kys h LEU 16 Ca -0.34 -0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.60 2kys h LEU 16 Cb 2.09 -0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 42.64 2kys h LEU 16 CO 0.18 0.43 0.45 -1.28 -0.00 0.00 0.00 178.44 178.22 2kys h SER 17 N 0.13 0.63 0.59 -0.43 0.87 -1.03 -1.01 113.55 113.30 2kys h SER 17 Ca 0.02 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kys h SER 17 Cb 0.58 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kys h SER 17 CO 0.04 0.35 0.00 0.58 -0.53 0.00 0.00 176.83 177.27 2kys h VAL 18 N 0.74 0.00 0.01 2.23 2.07 -1.49 0.28 116.25 120.09 2kys h VAL 18 Ca 0.40 -0.24 -0.38 0.00 0.82 0.00 0.00 66.70 67.30 2kys h VAL 18 Cb 0.41 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2kys h VAL 18 CO -0.27 0.00 -2.11 0.18 0.02 0.00 0.00 177.57 175.39 2kys n LEU 19 N -2.56 2.08 0.12 2.57 4.77 -0.57 -4.28 117.00 119.13 2kys n LEU 19 Ca 0.00 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 2kys n LEU 19 Cb 0.20 -0.90 0.48 0.00 -2.33 0.00 0.00 43.42 40.87 2kys n LEU 19 CO 0.20 0.54 0.84 0.00 -1.33 0.00 0.00 177.39 177.64 2kys n GLN 20 N -4.15 0.17 -0.27 3.23 10.64 -0.49 -1.63 117.38 124.88 2kys n GLN 20 Ca -0.45 0.43 0.23 0.00 -1.83 0.00 0.00 57.00 55.38 2kys n GLN 20 Cb 0.85 -1.84 0.56 0.00 -0.86 0.00 0.00 30.24 28.95 2kys n GLN 20 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2kys h GLN 21 N 0.00 0.30 0.00 2.61 4.20 -1.12 -3.41 115.11 117.69 2kys h GLN 21 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2kys h GLN 21 Cb 0.32 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kys h GLN 21 CO 0.00 0.20 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 2kys n LEU 22 N -4.49 0.00 -0.17 1.46 7.99 -0.64 -5.05 117.00 116.09 2kys n LEU 22 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2kys n LEU 22 Cb 0.86 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.17 2kys n LEU 22 CO 0.31 0.00 0.09 -2.11 -1.51 0.00 0.00 177.39 174.16 2kys n ARG 23 N -0.54 0.00 -1.51 3.23 0.00 -1.21 -5.15 116.66 111.48 2kys n ARG 23 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.40 2kys n ARG 23 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.45 2kys n ARG 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2kys n VAL 24 N 0.00 1.97 -3.71 8.89 3.14 -1.21 -4.97 118.33 122.44 2kys n VAL 24 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 2kys n VAL 24 Cb 0.30 -0.65 -0.09 0.00 -1.06 0.00 0.00 33.84 32.34 2kys n VAL 24 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kys s GLU 25 N -1.42 4.06 0.53 1.45 2.02 -1.26 -4.93 118.70 119.15 2kys s GLU 25 Ca 0.61 -0.28 0.20 0.00 0.02 0.00 0.00 54.97 55.51 2kys s GLU 25 Cb -0.74 -3.48 1.37 0.00 0.10 0.00 0.00 34.13 31.37 2kys s GLU 25 CO 0.59 0.10 2.13 0.66 0.02 0.00 0.00 175.26 178.76 2kys h SER 26 N 7.37 0.00 0.00 -0.19 4.64 -2.01 -0.61 113.55 122.76 2kys h SER 26 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 2kys h SER 26 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2kys h SER 26 CO 0.67 0.00 -0.05 0.28 -0.87 0.00 0.00 176.83 176.85 2kys h SER 27 N 0.00 0.13 -3.73 4.97 0.02 -2.02 -3.43 113.55 109.49 2kys h SER 27 Ca 0.05 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.46 2kys h SER 27 Cb 0.20 -0.03 0.05 0.00 0.14 0.00 0.00 62.40 62.75 2kys h SER 27 CO -0.00 0.21 0.61 -0.55 -1.14 0.00 0.00 176.83 175.96 2kys s SER 28 N -6.94 6.91 0.62 3.07 0.15 -0.24 -4.87 113.70 112.39 2kys s SER 28 Ca -0.05 2.53 0.27 0.00 0.70 0.00 0.00 55.95 59.40 2kys s SER 28 Cb 0.16 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 63.21 2kys s SER 28 CO 0.70 -0.45 1.79 0.07 1.20 0.00 0.00 173.24 176.55 2kys h LYS 29 N 4.02 0.00 -0.90 5.44 -0.00 -1.85 -2.27 116.57 121.01 2kys h LYS 29 Ca -0.47 0.00 0.13 0.00 -0.00 0.00 0.00 60.65 60.30 2kys h LYS 29 Cb 1.22 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.36 2kys h LYS 29 CO 0.69 0.00 0.52 1.25 -0.00 0.00 0.00 179.45 181.91 2kys h LEU 30 N 0.00 0.72 0.26 7.07 7.12 -1.89 0.16 115.31 128.74 2kys h LEU 30 Ca 0.18 0.07 0.01 0.00 0.13 0.00 0.00 57.88 58.26 2kys h LEU 30 Cb 1.28 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.31 2kys h LEU 30 CO -0.00 0.36 -0.32 -0.25 -0.13 0.00 0.00 178.44 178.09 2kys h TRP 31 N 0.80 -0.87 -0.89 1.25 7.01 -1.60 -3.05 115.95 118.61 2kys h TRP 31 Ca 0.46 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.46 2kys h TRP 31 Cb 0.53 0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 2kys h TRP 31 CO -0.05 -0.45 0.51 0.00 -2.79 0.00 0.00 178.44 175.66 2kys h ALA 32 N -0.07 1.22 -0.99 2.65 0.00 -1.50 -2.64 119.26 117.93 2kys h ALA 32 Ca -0.00 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.03 2kys h ALA 32 Cb 0.60 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2kys h ALA 32 CO -0.10 0.64 0.64 1.96 0.00 0.00 0.00 179.25 182.39 2kys h GLN 33 N 1.23 0.41 0.01 0.00 1.08 -0.61 -0.02 115.11 117.22 2kys h GLN 33 Ca 0.31 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2kys h GLN 33 Cb -0.01 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2kys h GLN 33 CO -0.05 0.27 -0.00 0.00 -0.95 0.00 0.00 178.83 178.09 2kys h VAL 35 N -1.00 1.01 -0.40 0.00 2.07 -1.34 -2.10 116.25 114.48 2kys h VAL 35 Ca -0.00 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2kys h VAL 35 Cb 0.16 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2kys h VAL 35 CO 0.00 0.16 -0.06 0.06 0.02 0.00 0.00 177.57 177.75 2kys h GLN 36 N 0.88 0.75 0.00 1.57 -0.00 -1.15 -3.06 115.11 114.10 2kys h GLN 36 Ca 0.35 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2kys h GLN 36 Cb 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 2kys h GLN 36 CO -0.18 0.87 0.00 -0.11 -0.00 0.00 0.00 178.83 179.41 2kys n LEU 37 N -4.37 0.63 0.01 0.06 7.94 -0.85 -2.44 117.00 117.98 2kys n LEU 37 Ca -0.01 0.61 -0.12 0.00 -1.11 0.00 0.00 56.01 55.38 2kys n LEU 37 Cb 0.34 -0.47 -0.06 0.00 0.53 0.00 0.00 43.42 43.76 2kys n LEU 37 CO 0.42 -0.35 0.87 -0.74 -1.11 0.00 0.00 177.39 176.48 2kys h HIS 38 N 0.00 0.07 -0.75 1.96 2.76 -1.29 -3.07 115.15 114.82 2kys h HIS 38 Ca 0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2kys h HIS 38 Cb 0.51 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 2kys h HIS 38 CO 0.00 0.09 0.44 -0.91 -1.30 0.00 0.00 177.93 176.25 2kys h ASN 39 N 0.03 0.91 -0.23 3.26 2.35 -1.60 -2.59 115.58 117.72 2kys h ASN 39 Ca 0.02 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2kys h ASN 39 Cb 0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2kys h ASN 39 CO -0.00 0.71 0.29 -0.78 -1.65 0.00 0.00 177.43 175.99 2kys h ASP 40 N 1.04 0.00 0.00 5.81 3.58 -1.58 0.20 116.42 125.48 2kys h ASP 40 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 2kys h ASP 40 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2kys h ASP 40 CO -0.05 0.00 -0.06 0.40 -2.88 0.00 0.00 179.24 176.65 2kys h ILE 41 N 0.00 1.65 -0.40 2.25 1.08 -1.54 -1.65 117.51 118.89 2kys h ILE 41 Ca 0.11 -1.97 -0.15 0.00 -0.39 0.00 0.00 64.86 62.46 2kys h ILE 41 Cb 0.68 2.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.40 2kys h ILE 41 CO -0.00 0.52 -0.32 -0.07 -0.69 0.00 0.00 178.15 177.59 2kys h LEU 42 N -0.77 0.97 0.00 1.44 3.38 -1.43 -2.79 115.31 116.11 2kys h LEU 42 Ca -0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2kys h LEU 42 Cb 0.88 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kys h LEU 42 CO 0.01 1.21 0.00 0.18 0.09 0.00 0.00 178.44 179.93 2kys n LEU 43 N -4.11 0.00 -4.68 1.67 4.32 -0.03 -4.91 117.00 109.26 2kys n LEU 43 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.67 2kys n LEU 43 Cb 0.51 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.46 2kys n LEU 43 CO 0.47 0.00 0.66 0.00 -1.22 0.00 0.00 177.39 177.30 2kys s ALA 44 N -2.00 1.40 0.06 -1.18 0.00 -0.62 -4.97 121.76 114.44 2kys s ALA 44 Ca 0.18 0.27 -0.34 0.00 0.00 0.00 0.00 51.96 52.07 2kys s ALA 44 Cb 0.08 -3.32 -0.19 0.00 0.00 0.00 0.00 23.12 19.69 2kys s ALA 44 CO 0.14 -2.59 1.51 0.87 0.00 0.00 0.00 175.76 175.69 2kys h LYS 45 N -1.73 -1.06 -5.03 0.00 1.79 -1.85 -3.47 116.57 105.23 2kys h LYS 45 Ca -0.47 0.07 -0.60 0.00 -2.18 0.00 0.00 60.65 57.48 2kys h LYS 45 Cb 1.27 0.24 -0.13 0.00 -1.58 0.00 0.00 32.23 32.03 2kys h LYS 45 CO 0.48 -0.69 -0.49 -0.51 -1.08 0.00 0.00 179.45 177.15 2kys s ASP 46 N -4.26 3.06 0.07 0.86 1.11 -1.26 -5.02 116.67 111.24 2kys s ASP 46 Ca -0.18 -1.74 -0.33 0.00 0.18 0.00 0.00 52.55 50.48 2kys s ASP 46 Cb 0.02 0.63 -0.18 0.00 1.07 0.00 0.00 42.92 44.47 2kys s ASP 46 CO 0.58 -1.00 1.62 0.74 1.18 0.00 0.00 175.17 178.30 2kys h THR 47 N 1.66 0.32 -0.09 -1.27 2.02 -1.94 -1.57 112.91 112.05 2kys h THR 47 Ca -0.35 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.87 2kys h THR 47 Cb 1.28 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 2kys h THR 47 CO 0.55 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 176.25 2kys h THR 48 N -0.88 0.51 0.00 3.16 1.03 -2.00 -1.17 112.91 113.57 2kys h THR 48 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 2kys h THR 48 Cb 0.69 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2kys h THR 48 CO 0.11 0.00 0.00 1.21 -0.01 0.00 0.00 175.52 176.83 2kys n GLU 49 N -5.33 0.59 0.00 0.00 2.13 -1.23 -0.93 120.64 115.86 2kys n GLU 49 Ca -0.03 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2kys n GLU 49 Cb 0.25 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2kys n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys n ALA 50 N -1.02 -0.01 0.24 4.31 0.00 -0.47 -4.33 120.51 119.23 2kys n ALA 50 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2kys n ALA 50 Cb 0.07 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.13 2kys n ALA 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kys h PHE 51 N 0.00 0.00 -1.01 0.00 -0.00 -1.03 -1.52 116.94 113.38 2kys h PHE 51 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.97 58.21 2kys h PHE 51 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 35.86 2kys h PHE 51 CO 0.00 0.18 0.65 0.93 -0.00 0.00 0.00 178.31 180.07 2kys h GLU 52 N 0.00 0.44 0.00 6.09 4.39 -1.26 0.36 114.58 124.60 2kys h GLU 52 Ca -0.00 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.44 2kys h GLU 52 Cb 0.48 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2kys h GLU 52 CO 0.02 0.29 -1.45 1.57 -1.16 0.00 0.00 179.01 178.29 2kys h LYS 53 N 0.46 0.00 -0.43 2.33 2.10 -1.47 -3.28 116.57 116.28 2kys h LYS 53 Ca 0.57 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.12 2kys h LYS 53 Cb 1.35 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.67 2kys h LYS 53 CO -0.30 0.52 -0.16 0.00 -2.00 0.00 0.00 179.45 177.52 2kys h MET 54 N 0.00 0.80 0.00 0.07 -0.00 -1.12 -2.37 114.93 112.32 2kys h MET 54 Ca -0.19 -0.29 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2kys h MET 54 Cb 1.83 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 33.38 2kys h MET 54 CO 0.08 0.91 0.00 0.28 -0.00 0.00 0.00 176.91 178.18 2kys n VAL 55 N -4.14 1.19 1.15 -0.10 0.31 -0.01 -0.89 118.33 115.84 2kys n VAL 55 Ca 0.01 0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.81 2kys n VAL 55 Cb 0.40 -1.22 0.26 0.00 -0.91 0.00 0.00 33.84 32.36 2kys n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kys n SER 56 N -1.74 1.14 -0.08 4.52 7.64 -0.89 -4.55 113.62 119.66 2kys n SER 56 Ca 0.02 -0.93 -0.17 0.00 1.01 0.00 0.00 58.87 58.80 2kys n SER 56 Cb 0.13 0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 2kys n SER 56 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kys n LEU 57 N -0.70 1.55 0.00 -3.43 0.00 -0.07 -4.53 117.00 109.83 2kys n LEU 57 Ca 0.10 0.15 0.01 0.00 0.00 0.00 0.00 56.01 56.28 2kys n LEU 57 Cb 0.37 -0.52 0.07 0.00 0.00 0.00 0.00 43.42 43.34 2kys n LEU 57 CO 0.29 0.44 0.24 0.00 0.00 0.00 0.00 177.39 178.35 2kys n LEU 58 N -3.61 0.00 -0.05 -1.96 -0.00 -1.06 -1.45 117.00 108.87 2kys n LEU 58 Ca -0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.62 2kys n LEU 58 Cb 0.75 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.13 2kys n LEU 58 CO 0.05 0.00 -0.80 -0.24 -0.00 0.00 0.00 177.39 176.40 2kys n SER 59 N -0.62 3.24 0.25 1.45 2.88 -1.26 -4.56 113.62 115.01 2kys n SER 59 Ca 0.02 -0.04 0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2kys n SER 59 Cb 0.01 0.02 0.63 0.00 -0.75 0.00 0.00 64.21 64.11 2kys n SER 59 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kys h VAL 60 N 0.00 0.40 0.55 2.46 3.04 -1.48 -1.85 116.25 119.36 2kys h VAL 60 Ca -0.21 -0.76 -0.03 0.00 -1.01 0.00 0.00 66.70 64.69 2kys h VAL 60 Cb 1.35 1.55 0.01 0.00 -2.01 0.00 0.00 31.29 32.19 2kys h VAL 60 CO -0.02 0.13 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.33 2kys h LEU 61 N 0.00 -0.62 -1.71 3.16 -0.00 -1.84 -3.36 115.31 110.94 2kys h LEU 61 Ca -0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2kys h LEU 61 Cb 0.54 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 2kys h LEU 61 CO 0.02 -0.24 0.24 -0.07 -0.00 0.00 0.00 178.44 178.39 2kys h LEU 62 N -1.08 0.33 -1.12 1.67 3.38 -1.59 0.72 115.31 117.62 2kys h LEU 62 Ca -0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2kys h LEU 62 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2kys h LEU 62 CO 0.12 0.23 -0.32 -1.28 0.09 0.00 0.00 178.44 177.28 2kys h SER 63 N 0.38 0.00 0.64 -0.43 0.87 -1.61 0.51 113.55 113.91 2kys h SER 63 Ca 0.14 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2kys h SER 63 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2kys h SER 63 CO -0.03 0.32 -1.46 1.15 -0.53 0.00 0.00 176.83 176.28 2kys n MET 64 N -3.58 0.63 0.00 2.24 0.00 0.17 -4.78 117.12 111.80 2kys n MET 64 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2kys n MET 64 Cb 0.45 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.91 2kys n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kys n GLN 65 N -2.77 5.03 -2.89 3.17 10.64 -0.74 -5.09 117.38 124.73 2kys n GLN 65 Ca -0.09 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.97 2kys n GLN 65 Cb 0.78 -0.42 0.06 0.00 -0.86 0.00 0.00 30.24 29.80 2kys n GLN 65 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kys n GLY 66 N 0.00 -0.24 3.79 2.61 0.00 0.16 -4.95 105.19 106.56 2kys n GLY 66 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2kys n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kys s ALA 67 N -3.25 1.69 0.00 4.61 0.00 -1.26 -5.05 121.76 118.49 2kys s ALA 67 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2kys s ALA 67 Cb -0.01 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2kys s ALA 67 CO 0.50 -2.54 0.00 1.33 0.00 0.00 0.00 175.76 175.05 2kys n VAL 68 N -3.93 0.00 1.26 0.00 0.24 -1.26 -4.81 118.33 109.83 2kys n VAL 68 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2kys n VAL 68 Cb 0.59 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2kys n VAL 68 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kys n ASP 69 N -2.26 0.67 0.27 -1.34 9.92 -1.26 -4.18 116.55 118.37 2kys n ASP 69 Ca 0.00 -1.93 0.15 0.00 -0.53 0.00 0.00 54.79 52.47 2kys n ASP 69 Cb 0.34 -0.34 0.75 0.00 -0.64 0.00 0.00 41.12 41.24 2kys n ASP 69 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2kys h ILE 70 N 0.00 0.35 0.00 0.53 6.09 -1.93 -0.95 117.51 121.59 2kys h ILE 70 Ca 0.00 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2kys h ILE 70 Cb 0.34 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.02 2kys h ILE 70 CO 0.00 0.09 -0.20 0.59 -3.07 0.00 0.00 178.15 175.55 2kys n ASN 71 N -3.39 0.76 0.13 2.19 3.02 -1.26 -3.98 115.26 112.73 2kys n ASN 71 Ca -0.01 0.42 -0.13 0.00 -0.03 0.00 0.00 54.58 54.83 2kys n ASN 71 Cb 0.26 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 2kys n ASN 71 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2kys h ARG 72 N 0.00 -0.33 -0.04 3.52 -0.00 -1.49 -2.94 114.38 113.10 2kys h ARG 72 Ca 0.00 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.51 2kys h ARG 72 Cb 0.73 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.78 2kys h ARG 72 CO 0.00 -0.00 0.04 1.37 0.00 0.00 0.00 179.97 181.38 2kys h LEU 73 N -0.69 0.00 0.32 3.04 -0.00 -1.69 -2.22 115.31 114.06 2kys h LEU 73 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 73 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 2kys h LEU 73 CO 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 178.44 178.17 2kys n GLU 75 N -5.44 0.47 0.00 0.00 1.02 -0.87 -0.88 120.64 114.94 2kys n GLU 75 Ca -0.09 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kys n GLU 75 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2kys n GLU 75 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kys n GLU 76 N -1.18 0.00 0.27 3.49 0.00 -0.94 -3.81 120.64 118.47 2kys n GLU 76 Ca 0.13 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.69 2kys n GLU 76 Cb 0.14 -0.73 0.74 0.00 0.00 0.00 0.00 31.44 31.59 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kys h MET 77 N 0.00 0.00 0.08 5.31 -0.00 -1.31 0.01 114.93 119.02 2kys h MET 77 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kys h MET 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kys h MET 77 CO 0.00 0.11 -0.04 1.25 -0.00 0.00 0.00 176.91 178.23 2kys h LEU 78 N 0.00 -0.09 -1.54 -0.10 5.85 -1.24 -3.24 115.31 114.95 2kys h LEU 78 Ca -0.00 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2kys h LEU 78 Cb 0.33 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kys h LEU 78 CO 0.01 0.49 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.58 2kys h ASP 79 N -0.73 0.00 0.54 1.25 1.82 -1.46 -1.65 116.42 116.20 2kys h ASP 79 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.56 2kys h ASP 79 Cb 0.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2kys h ASP 79 CO 0.02 0.24 -0.31 0.78 -1.61 0.00 0.00 179.24 178.36 2kys h ASN 80 N 0.00 0.00 0.71 2.28 2.35 -1.11 -0.57 115.58 119.23 2kys h ASN 80 Ca -0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2kys h ASN 80 Cb 0.45 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 2kys h ASN 80 CO 0.03 0.31 -1.41 0.08 -1.65 0.00 0.00 177.43 174.79 2kys h ARG 81 N 0.00 0.00 0.00 0.81 0.11 -1.42 -3.37 114.38 110.51 2kys h ARG 81 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2kys h ARG 81 Cb 0.67 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.74 2kys h ARG 81 CO 0.04 0.67 -0.13 0.00 0.10 0.00 0.00 179.97 180.65 2kys h ALA 82 N 1.03 1.03 0.00 0.08 0.00 -0.58 -3.02 119.26 117.80 2kys h ALA 82 Ca -0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kys h ALA 82 Cb 1.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2kys h ALA 82 CO 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 2kys h THR 83 N 0.00 0.01 0.00 0.00 1.03 -1.30 -3.02 112.91 109.64 2kys h THR 83 Ca -0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 2kys h THR 83 Cb 0.63 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 2kys h THR 83 CO 0.02 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.71 2kys n LEU 84 N -3.10 0.00 0.00 0.00 4.77 -1.14 -5.14 117.00 112.39 2kys n LEU 84 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2kys n LEU 84 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2kys n LEU 84 CO 0.30 0.00 0.18 0.00 -1.33 0.00 0.00 177.39 176.54