#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kys s HIS 2 N 0.00 -0.26 0.34 1.61 5.65 -1.26 -5.12 115.29 116.26 2kys s HIS 2 Ca 0.00 0.61 0.00 0.00 0.25 0.00 0.00 55.06 55.92 2kys s HIS 2 Cb 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 32.58 31.17 2kys s HIS 2 CO 0.00 -0.37 0.00 0.43 -0.65 0.00 0.00 174.74 174.15 2kys n SER 3 N 5.33 -6.68 0.00 9.88 7.64 -1.26 -4.90 113.62 123.63 2kys n SER 3 Ca -0.05 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2kys n SER 3 Cb 0.50 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 2kys n SER 3 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kys n LYS 4 N -3.79 0.00 0.00 1.43 2.85 -1.26 -4.98 118.16 112.41 2kys n LYS 4 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2kys n LYS 4 Cb 0.52 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys n MET 5 N -0.36 1.91 -1.07 -1.58 0.00 -1.26 -5.15 117.12 109.60 2kys n MET 5 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 2kys n MET 5 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 33.22 32.27 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 -1.43 -5.58 -3.62 3.17 7.64 -1.26 -4.67 113.62 107.88 2kys n SER 6 Ca 0.00 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.07 2kys n SER 6 Cb 0.16 -3.44 0.02 0.00 -1.01 0.00 0.00 64.21 59.93 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 -4.26 7.47 -4.15 6.43 2.03 -1.26 -4.89 116.55 117.91 2kys n ASP 7 Ca -0.02 -3.59 -0.43 0.00 0.52 0.00 0.00 54.79 51.27 2kys n ASP 7 Cb 0.62 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2kys n ASP 7 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kys n VAL 8 N 0.28 4.41 -3.59 5.18 0.31 -1.26 -4.44 118.33 119.22 2kys n VAL 8 Ca 0.49 -4.73 -0.40 0.00 -0.01 0.00 0.00 64.34 59.70 2kys n VAL 8 Cb 0.26 -2.39 -0.07 0.00 -0.91 0.00 0.00 33.84 30.73 2kys n VAL 8 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2kys s LYS 9 N 0.49 3.01 -0.04 5.55 -2.85 -1.26 -4.98 119.74 119.65 2kys s LYS 9 Ca 0.40 -2.64 -0.29 0.00 -1.00 0.00 0.00 55.97 52.44 2kys s LYS 9 Cb 0.03 -3.98 -0.08 0.00 -2.06 0.00 0.00 37.83 31.74 2kys s LYS 9 CO 0.01 -1.22 2.04 0.00 0.10 0.00 0.00 175.35 176.27 2kys n THR 11 N 6.19 0.00 -2.18 0.00 5.66 -1.26 -5.05 114.28 117.64 2kys n THR 11 Ca 0.23 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.80 2kys n THR 11 Cb 0.42 -0.11 -0.02 0.00 -1.55 0.00 0.00 70.33 69.07 2kys n THR 11 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kys s SER 12 N 1.00 6.75 0.50 1.09 0.01 -1.26 -4.87 113.70 116.92 2kys s SER 12 Ca 0.00 1.97 0.34 0.00 1.31 0.00 0.00 55.95 59.57 2kys s SER 12 Cb 0.00 -2.53 1.77 0.00 0.21 0.00 0.00 66.02 65.46 2kys s SER 12 CO 0.00 -0.89 2.02 -0.37 0.41 0.00 0.00 173.24 174.41 2kys h VAL 13 N 5.59 0.00 -0.91 3.43 -1.51 -1.99 -2.59 116.25 118.29 2kys h VAL 13 Ca -0.34 -0.06 0.25 0.00 -1.23 0.00 0.00 66.70 65.32 2kys h VAL 13 Cb 1.15 0.84 -0.14 0.00 -2.13 0.00 0.00 31.29 31.01 2kys h VAL 13 CO 0.96 0.00 0.33 0.58 -1.23 0.00 0.00 177.57 178.22 2kys h VAL 14 N 0.00 0.35 0.00 7.19 2.07 -1.97 0.24 116.25 124.13 2kys h VAL 14 Ca 0.00 -0.09 -0.27 0.00 0.82 0.00 0.00 66.70 67.15 2kys h VAL 14 Cb 0.07 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 2kys h VAL 14 CO 0.00 0.05 -1.85 0.00 0.02 0.00 0.00 177.57 175.79 2kys n LEU 15 N -5.15 0.59 0.09 2.57 -0.00 -0.98 -4.13 117.00 109.99 2kys n LEU 15 Ca 0.23 0.27 -0.22 0.00 -0.00 0.00 0.00 56.01 56.30 2kys n LEU 15 Cb 0.73 0.23 -0.14 0.00 -0.00 0.00 0.00 43.42 44.25 2kys n LEU 15 CO 0.08 0.35 -0.06 -0.07 -0.00 0.00 0.00 177.39 177.69 2kys h LEU 16 N 0.00 0.75 -0.91 1.47 -0.00 -1.41 -3.35 115.31 111.86 2kys h LEU 16 Ca -0.32 -0.87 -0.05 0.00 -0.00 0.00 0.00 57.88 56.64 2kys h LEU 16 Cb 1.94 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 42.33 2kys h LEU 16 CO 0.05 1.56 0.24 -1.28 -0.00 0.00 0.00 178.44 179.02 2kys h SER 17 N 0.06 0.96 0.27 -0.43 0.87 -0.76 -0.66 113.55 113.87 2kys h SER 17 Ca -0.19 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2kys h SER 17 Cb 1.87 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 2kys h SER 17 CO 0.22 0.88 0.00 -0.37 -0.53 0.00 0.00 176.83 177.03 2kys h VAL 18 N 1.01 0.00 0.00 2.23 -1.51 -1.72 0.27 116.25 116.54 2kys h VAL 18 Ca 0.23 -0.10 -0.41 0.00 -1.23 0.00 0.00 66.70 65.19 2kys h VAL 18 Cb 0.24 0.76 -0.07 0.00 -2.13 0.00 0.00 31.29 30.10 2kys h VAL 18 CO -0.01 0.00 -2.48 0.18 -1.23 0.00 0.00 177.57 174.03 2kys n LEU 19 N -2.44 2.69 0.24 4.19 4.77 -0.48 -4.15 117.00 121.83 2kys n LEU 19 Ca -0.01 -0.01 0.17 0.00 -0.03 0.00 0.00 56.01 56.13 2kys n LEU 19 Cb 0.11 -0.87 0.79 0.00 -2.33 0.00 0.00 43.42 41.12 2kys n LEU 19 CO 0.15 0.83 0.99 1.56 -1.33 0.00 0.00 177.39 179.60 2kys h GLN 20 N -0.27 0.00 -0.75 3.23 4.20 -0.86 -2.13 115.11 118.54 2kys h GLN 20 Ca -0.61 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.13 2kys h GLN 20 Cb 1.81 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.55 2kys h GLN 20 CO -0.18 0.00 0.48 1.96 -0.67 0.00 0.00 178.83 180.42 2kys h GLN 21 N 0.00 0.92 0.00 1.46 4.20 -0.62 -3.41 115.11 117.66 2kys h GLN 21 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2kys h GLN 21 Cb 0.21 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kys h GLN 21 CO 0.00 0.61 0.00 1.28 -0.67 0.00 0.00 178.83 180.05 2kys n LEU 22 N -4.61 0.30 -2.02 1.46 7.99 -0.81 -5.03 117.00 114.28 2kys n LEU 22 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.07 2kys n LEU 22 Cb 0.07 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.42 2kys n LEU 22 CO 0.34 0.00 0.42 -2.11 -1.51 0.00 0.00 177.39 174.53 2kys n ARG 23 N -0.46 0.51 -1.78 3.23 0.00 -1.17 -5.13 116.66 111.86 2kys n ARG 23 Ca 0.00 -0.51 -0.37 0.00 -0.00 0.00 0.00 57.85 56.97 2kys n ARG 23 Cb 0.00 0.14 0.06 0.00 -0.00 0.00 0.00 32.46 32.67 2kys n ARG 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kys s VAL 24 N 0.05 2.17 -0.36 8.89 0.11 -1.15 -5.00 120.40 125.12 2kys s VAL 24 Ca 0.04 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2kys s VAL 24 Cb 0.17 -3.02 0.05 0.00 -1.53 0.00 0.00 36.38 32.04 2kys s VAL 24 CO -0.05 -0.02 0.14 -1.61 -3.33 0.00 0.00 175.10 170.23 2kys s GLU 25 N -3.40 2.62 0.18 1.54 2.02 -1.26 -4.95 118.70 115.44 2kys s GLU 25 Ca 0.81 -1.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 2kys s GLU 25 Cb -0.36 -3.53 0.14 0.00 0.10 0.00 0.00 34.13 30.48 2kys s GLU 25 CO 0.39 -0.72 1.76 0.66 0.02 0.00 0.00 175.26 177.36 2kys h SER 26 N 8.26 0.23 0.00 -0.19 4.64 -1.96 -2.83 113.55 121.70 2kys h SER 26 Ca -0.23 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 2kys h SER 26 Cb 1.08 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 2kys h SER 26 CO 0.63 0.16 -0.21 -0.24 -0.87 0.00 0.00 176.83 176.31 2kys n SER 27 N -4.97 4.77 -3.67 4.97 2.88 -1.26 -4.72 113.62 111.62 2kys n SER 27 Ca 0.04 -2.35 -0.11 0.00 -1.33 0.00 0.00 58.87 55.12 2kys n SER 27 Cb 0.17 -1.20 -0.06 0.00 -0.75 0.00 0.00 64.21 62.37 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kys s SER 28 N 2.06 -0.22 0.60 -3.46 0.15 -1.07 -5.02 113.70 106.74 2kys s SER 28 Ca 0.41 -0.22 0.31 0.00 0.70 0.00 0.00 55.95 57.14 2kys s SER 28 Cb 0.20 0.44 1.81 0.00 -1.71 0.00 0.00 66.02 66.75 2kys s SER 28 CO 0.00 -0.76 2.19 0.07 1.20 0.00 0.00 173.24 175.94 2kys h LYS 29 N 2.67 0.00 -0.28 5.44 -0.00 -1.84 -3.12 116.57 119.44 2kys h LYS 29 Ca -0.33 0.00 0.07 0.00 -0.00 0.00 0.00 60.65 60.39 2kys h LYS 29 Cb 1.23 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.39 2kys h LYS 29 CO 0.46 0.00 -0.17 1.25 -0.00 0.00 0.00 179.45 181.00 2kys h LEU 30 N 0.00 -0.55 -1.73 7.07 7.12 -1.92 0.15 115.31 125.46 2kys h LEU 30 Ca 0.04 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2kys h LEU 30 Cb 0.23 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2kys h LEU 30 CO -0.00 -0.20 0.00 -0.25 -0.13 0.00 0.00 178.44 177.86 2kys h TRP 31 N -0.14 0.00 0.00 1.25 7.01 -1.49 -0.92 115.95 121.67 2kys h TRP 31 Ca 0.15 0.00 -0.29 0.00 2.11 0.00 0.00 58.89 60.86 2kys h TRP 31 Cb 0.37 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.37 2kys h TRP 31 CO -0.35 0.00 -1.91 0.00 -2.79 0.00 0.00 178.44 173.39 2kys n ALA 32 N -1.85 1.59 -0.10 2.65 0.00 0.29 -3.85 120.51 119.25 2kys n ALA 32 Ca -0.02 -0.92 0.26 0.00 0.00 0.00 0.00 53.44 52.76 2kys n ALA 32 Cb 0.06 -0.64 0.72 0.00 0.00 0.00 0.00 19.45 19.58 2kys n ALA 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kys h GLN 33 N 0.00 0.00 0.00 0.00 1.08 0.58 0.14 115.11 116.91 2kys h GLN 33 Ca -0.35 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.81 2kys h GLN 33 Cb 2.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 2kys h GLN 33 CO 0.06 0.00 -0.83 0.00 -0.95 0.00 0.00 178.83 177.11 2kys h VAL 35 N -1.00 0.64 0.01 0.00 2.07 -1.46 0.12 116.25 116.62 2kys h VAL 35 Ca -0.06 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 2kys h VAL 35 Cb 0.79 0.47 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2kys h VAL 35 CO -0.04 0.03 -1.05 0.06 0.02 0.00 0.00 177.57 176.59 2kys h GLN 36 N 0.15 0.67 0.00 1.57 -0.00 -0.96 -3.20 115.11 113.34 2kys h GLN 36 Ca 0.26 -0.73 -0.02 0.00 -0.00 0.00 0.00 58.65 58.15 2kys h GLN 36 Cb 0.38 0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 28.06 2kys h GLN 36 CO -0.39 1.31 -0.12 1.25 -0.00 0.00 0.00 178.83 180.88 2kys h LEU 37 N 0.37 0.00 -0.27 0.06 6.46 -1.57 -2.25 115.31 118.11 2kys h LEU 37 Ca -0.13 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.67 2kys h LEU 37 Cb 1.70 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.60 2kys h LEU 37 CO 0.20 0.12 0.05 -0.74 -0.62 0.00 0.00 178.44 177.45 2kys h HIS 38 N 0.00 0.09 -0.63 1.25 2.76 -0.77 -2.80 115.15 115.05 2kys h HIS 38 Ca -0.00 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2kys h HIS 38 Cb 0.47 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 2kys h HIS 38 CO 0.00 0.02 0.27 -0.91 -1.30 0.00 0.00 177.93 176.02 2kys h ASN 39 N 0.15 0.84 0.00 3.26 2.35 -1.50 -3.00 115.58 117.68 2kys h ASN 39 Ca 0.12 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2kys h ASN 39 Cb 0.13 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2kys h ASN 39 CO -0.16 0.76 0.09 0.44 -1.65 0.00 0.00 177.43 176.91 2kys h ASP 40 N 0.87 0.00 -0.17 5.81 5.19 -1.40 -1.66 116.42 125.05 2kys h ASP 40 Ca 0.21 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2kys h ASP 40 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2kys h ASP 40 CO -0.02 0.00 -0.32 0.40 -3.12 0.00 0.00 179.24 176.18 2kys h ILE 41 N 0.00 1.35 0.00 0.35 1.08 -1.50 -1.83 117.51 116.95 2kys h ILE 41 Ca 0.00 -1.56 -0.10 0.00 -0.39 0.00 0.00 64.86 62.81 2kys h ILE 41 Cb 0.18 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 2kys h ILE 41 CO 0.00 0.47 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.40 2kys h LEU 42 N 0.16 0.00 -0.56 1.44 -0.00 -1.49 -2.99 115.31 111.87 2kys h LEU 42 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2kys h LEU 42 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2kys h LEU 42 CO 0.07 0.46 -0.15 0.18 -0.00 0.00 0.00 178.44 179.00 2kys n LEU 43 N -3.65 1.02 -4.78 1.67 4.77 -0.98 -4.93 117.00 110.13 2kys n LEU 43 Ca -0.01 -0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.39 2kys n LEU 43 Cb 0.54 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2kys n LEU 43 CO 0.39 0.18 0.71 0.00 -1.33 0.00 0.00 177.39 177.34 2kys s ALA 44 N -2.34 2.36 0.16 -1.18 0.00 -0.71 -4.97 121.76 115.07 2kys s ALA 44 Ca 0.30 0.30 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 2kys s ALA 44 Cb 0.20 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2kys s ALA 44 CO 0.46 -1.58 1.56 0.87 0.00 0.00 0.00 175.76 177.06 2kys h LYS 45 N -0.81 0.99 -4.44 0.00 1.79 -1.91 -3.47 116.57 108.73 2kys h LYS 45 Ca -0.44 -0.41 -0.32 0.00 -2.18 0.00 0.00 60.65 57.30 2kys h LYS 45 Cb 1.23 -0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.73 2kys h LYS 45 CO 0.53 1.08 -0.36 -0.51 -1.08 0.00 0.00 179.45 179.11 2kys s ASP 46 N -6.67 1.00 0.10 0.86 1.11 -1.26 -5.07 116.67 106.74 2kys s ASP 46 Ca -0.12 -1.53 -0.31 0.00 0.18 0.00 0.00 52.55 50.77 2kys s ASP 46 Cb 0.12 0.58 -0.12 0.00 1.07 0.00 0.00 42.92 44.56 2kys s ASP 46 CO 0.87 -1.13 1.61 0.74 1.18 0.00 0.00 175.17 178.43 2kys h THR 47 N 2.21 0.25 -0.45 -1.27 2.02 -1.94 -2.44 112.91 111.28 2kys h THR 47 Ca -0.28 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.96 2kys h THR 47 Cb 1.24 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2kys h THR 47 CO 0.40 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.44 2kys h THR 48 N -0.72 0.85 0.00 3.16 1.03 -2.00 -1.54 112.91 113.69 2kys h THR 48 Ca -0.01 -0.11 -0.10 0.00 -0.01 0.00 0.00 66.41 66.18 2kys h THR 48 Cb 0.67 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 2kys h THR 48 CO -0.10 0.06 -0.47 -0.08 -0.01 0.00 0.00 175.52 174.92 2kys h GLU 49 N 0.32 0.00 0.82 0.00 4.57 -1.98 -0.76 114.58 117.55 2kys h GLU 49 Ca 0.21 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2kys h GLU 49 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2kys h GLU 49 CO -0.22 0.47 -0.44 0.00 -1.18 0.00 0.00 179.01 177.65 2kys h ALA 50 N 1.53 -1.29 0.00 2.92 0.00 -0.78 -3.22 119.26 118.42 2kys h ALA 50 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kys h ALA 50 Cb 1.15 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kys h ALA 50 CO 0.06 -1.22 0.00 0.27 0.00 0.00 0.00 179.25 178.36 2kys h PHE 51 N -1.15 0.00 -0.56 0.00 -0.00 -1.29 -2.97 116.94 110.96 2kys h PHE 51 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.97 57.97 2kys h PHE 51 Cb 0.90 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 36.75 2kys h PHE 51 CO -0.02 0.00 -0.04 0.93 -0.00 0.00 0.00 178.31 179.18 2kys h GLU 52 N 0.00 0.08 0.00 6.09 5.08 -1.17 -0.12 114.58 124.54 2kys h GLU 52 Ca 0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kys h GLU 52 Cb 0.90 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2kys h GLU 52 CO 0.00 0.05 -0.66 1.57 -1.00 0.00 0.00 179.01 178.97 2kys h LYS 53 N 0.08 0.00 -0.40 2.33 2.10 -1.54 -2.90 116.57 116.25 2kys h LYS 53 Ca 0.29 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.83 2kys h LYS 53 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 2kys h LYS 53 CO -0.51 0.66 -0.14 0.00 -2.00 0.00 0.00 179.45 177.46 2kys h MET 54 N 0.00 0.80 0.00 0.07 -0.00 -1.29 -2.11 114.93 112.39 2kys h MET 54 Ca -0.01 -0.33 0.00 0.00 -0.00 0.00 0.00 59.70 59.37 2kys h MET 54 Cb 1.23 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 2kys h MET 54 CO 0.09 0.95 0.00 0.28 -0.00 0.00 0.00 176.91 178.23 2kys n VAL 55 N -4.29 0.60 1.18 -0.10 0.31 -0.15 -1.81 118.33 114.08 2kys n VAL 55 Ca -0.01 0.15 0.13 0.00 -0.01 0.00 0.00 64.34 64.59 2kys n VAL 55 Cb 0.39 -0.88 0.35 0.00 -0.91 0.00 0.00 33.84 32.79 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 -1.32 2.14 -0.01 4.52 7.64 -0.80 -4.47 113.62 121.32 2kys n SER 56 Ca 0.07 -1.73 -0.01 0.00 1.01 0.00 0.00 58.87 58.21 2kys n SER 56 Cb 0.14 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2kys n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kys n LEU 57 N 0.65 0.26 0.00 -3.43 -0.00 -0.75 -4.67 117.00 109.06 2kys n LEU 57 Ca 0.17 -0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.28 2kys n LEU 57 Cb 0.44 0.03 0.56 0.00 -0.00 0.00 0.00 43.42 44.46 2kys n LEU 57 CO 0.15 0.09 0.79 0.00 -0.00 0.00 0.00 177.39 178.42 2kys n LEU 58 N -2.11 0.00 -0.02 1.47 -0.00 -1.20 -1.62 117.00 113.52 2kys n LEU 58 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.96 2kys n LEU 58 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.95 2kys n LEU 58 CO 0.04 0.00 -0.62 -0.24 -0.00 0.00 0.00 177.39 176.56 2kys n SER 59 N -0.89 4.03 0.02 1.45 2.88 -1.26 -4.60 113.62 115.25 2kys n SER 59 Ca 0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.58 2kys n SER 59 Cb 0.07 0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 64.12 2kys n SER 59 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kys h VAL 60 N 0.00 0.63 -0.01 2.46 2.07 -1.58 -2.13 116.25 117.68 2kys h VAL 60 Ca -0.10 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.23 2kys h VAL 60 Cb 1.18 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2kys h VAL 60 CO 0.01 0.00 -0.83 -0.07 0.02 0.00 0.00 177.57 176.70 2kys h LEU 61 N -0.20 0.29 -1.00 2.57 3.38 -1.83 -2.51 115.31 116.00 2kys h LEU 61 Ca 0.07 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2kys h LEU 61 Cb 0.31 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2kys h LEU 61 CO -0.19 0.99 0.64 -0.07 0.09 0.00 0.00 178.44 179.90 2kys h LEU 62 N 0.14 1.04 0.00 1.67 3.38 -1.77 0.09 115.31 119.86 2kys h LEU 62 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kys h LEU 62 Cb 1.43 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kys h LEU 62 CO 0.13 0.67 0.00 -0.24 0.09 0.00 0.00 178.44 179.09 2kys n SER 63 N -4.50 0.00 0.00 -0.43 2.88 -0.82 -1.19 113.62 109.56 2kys n SER 63 Ca 0.15 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2kys n SER 63 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2kys n SER 63 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2kys n MET 64 N -0.56 0.86 0.00 -1.46 0.00 -0.04 -5.00 117.12 110.92 2kys n MET 64 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2kys n MET 64 Cb 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 32.63 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 -0.17 0.51 -3.07 3.17 10.64 -0.51 -5.07 117.38 122.87 2kys n GLN 65 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 2kys n GLN 65 Cb 0.08 -0.18 0.03 0.00 -0.86 0.00 0.00 30.24 29.31 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 -0.11 -1.13 3.92 2.61 0.00 -0.33 -4.97 105.19 105.18 2kys n GLY 66 Ca 0.00 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.19 3.35 0.00 4.61 0.00 -1.26 -5.05 121.76 120.22 2kys s ALA 67 Ca 0.22 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kys s ALA 67 Cb -0.03 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2kys s ALA 67 CO 0.71 -0.71 0.00 1.33 0.00 0.00 0.00 175.76 177.09 2kys n VAL 68 N -2.50 0.00 0.30 0.00 0.24 -1.26 -4.75 118.33 110.35 2kys n VAL 68 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2kys n VAL 68 Cb 0.57 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 -1.02 0.29 0.24 -1.34 9.92 -1.26 -4.27 116.55 119.11 2kys n ASP 69 Ca 0.00 -0.59 0.09 0.00 -0.53 0.00 0.00 54.79 53.75 2kys n ASP 69 Cb 0.00 -0.15 0.60 0.00 -0.64 0.00 0.00 41.12 40.93 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 0.87 0.00 0.53 6.09 -1.86 -0.74 117.51 122.40 2kys h ILE 70 Ca 0.00 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 2kys h ILE 70 Cb 0.15 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.81 2kys h ILE 70 CO 0.00 0.17 0.00 0.78 -3.07 0.00 0.00 178.15 176.03 2kys h ASN 71 N 0.00 0.00 0.08 2.19 -0.26 -1.94 -3.36 115.58 112.29 2kys h ASN 71 Ca -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2kys h ASN 71 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2kys h ASN 71 CO 0.02 0.00 -0.04 0.03 -1.06 0.00 0.00 177.43 176.39 2kys h ARG 72 N 0.00 -0.10 -0.03 0.81 -0.00 -1.48 -2.26 114.38 111.32 2kys h ARG 72 Ca 0.00 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.49 2kys h ARG 72 Cb 0.67 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.66 2kys h ARG 72 CO 0.00 0.20 0.03 1.37 0.00 0.00 0.00 179.97 181.57 2kys h LEU 73 N -0.40 0.00 -2.10 3.04 -0.00 -1.71 -1.02 115.31 113.11 2kys h LEU 73 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2kys h LEU 73 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2kys h LEU 73 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 2kys n GLU 75 N -2.90 2.70 0.02 0.00 1.02 -0.39 -4.35 120.64 116.73 2kys n GLU 75 Ca -0.01 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.35 2kys n GLU 75 Cb 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 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 -0.61 0.00 0.25 3.49 2.13 -0.57 -4.70 120.64 120.63 2kys n GLU 76 Ca 0.20 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.13 2kys n GLU 76 Cb 0.84 -0.10 0.63 0.00 0.27 0.00 0.00 31.44 33.08 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys h MET 77 N 0.00 0.00 -0.24 5.31 -0.00 -1.59 0.68 114.93 119.09 2kys h MET 77 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 2kys h MET 77 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2kys h MET 77 CO 0.00 0.17 -0.22 1.25 -0.00 0.00 0.00 176.91 178.11 2kys h LEU 78 N 0.00 0.44 0.01 -0.10 6.46 -1.77 -3.17 115.31 117.19 2kys h LEU 78 Ca -0.00 -0.14 -0.26 0.00 -0.12 0.00 0.00 57.88 57.36 2kys h LEU 78 Cb 0.46 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2kys h LEU 78 CO 0.02 0.67 -1.14 -0.78 -0.62 0.00 0.00 178.44 176.60 2kys h ASP 79 N 0.40 0.59 0.54 1.25 3.58 -1.18 -1.94 116.42 119.67 2kys h ASP 79 Ca 0.06 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kys h ASP 79 Cb 0.61 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kys h ASP 79 CO 0.04 1.38 0.00 0.78 -2.88 0.00 0.00 179.24 178.56 2kys h ASN 80 N 0.19 0.00 0.27 2.28 2.35 -1.32 0.83 115.58 120.17 2kys h ASN 80 Ca -0.13 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.29 2kys h ASN 80 Cb 1.81 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.13 2kys h ASN 80 CO 0.20 0.00 -1.99 -2.11 -1.65 0.00 0.00 177.43 171.88 2kys n ARG 81 N -2.59 0.67 -0.16 0.81 -4.01 -1.19 -4.38 116.66 105.81 2kys n ARG 81 Ca 0.00 0.20 -0.00 0.00 -1.04 0.00 0.00 57.85 57.01 2kys n ARG 81 Cb 0.18 -1.69 0.25 0.00 -3.04 0.00 0.00 32.46 28.17 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kys h ALA 82 N 0.80 1.42 0.00 2.89 0.00 -0.36 -3.06 119.26 120.94 2kys h ALA 82 Ca -0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kys h ALA 82 Cb 2.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2kys h ALA 82 CO 0.05 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 2kys h THR 83 N 0.89 0.21 0.00 0.00 1.03 -1.10 -1.59 112.91 112.35 2kys h THR 83 Ca 0.23 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2kys h THR 83 Cb 0.02 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2kys h THR 83 CO -0.04 0.04 0.00 0.18 -0.01 0.00 0.00 175.52 175.70 2kys n LEU 84 N -3.28 0.00 0.00 0.00 4.32 -1.16 -5.14 117.00 111.74 2kys n LEU 84 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2kys n LEU 84 Cb 0.21 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 2kys n LEU 84 CO 0.26 -0.07 0.00 0.00 -1.22 0.00 0.00 177.39 176.36