#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 -2.94 1.61 -0.00 -1.26 -5.12 115.22 107.51 2kys n HIS 2 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 2kys n HIS 2 Cb 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 29.98 2kys n HIS 2 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kys s SER 3 N 0.00 7.10 -0.24 4.39 0.01 -1.26 -5.01 113.70 118.69 2kys s SER 3 Ca 0.00 1.33 -0.29 0.00 1.31 0.00 0.00 55.95 58.30 2kys s SER 3 Cb 0.00 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kys s SER 3 CO 0.00 -0.17 1.86 -1.59 0.41 0.00 0.00 173.24 173.75 2kys s LYS 4 N 0.94 3.48 -0.37 12.44 0.00 -1.26 -3.58 119.74 131.38 2kys s LYS 4 Ca 0.42 1.74 0.00 0.00 0.00 0.00 0.00 55.97 58.12 2kys s LYS 4 Cb -0.19 -4.19 0.00 0.00 0.00 0.00 0.00 37.83 33.45 2kys s LYS 4 CO 0.21 -1.69 0.00 0.00 0.00 0.00 0.00 175.35 173.87 2kys n MET 5 N 8.23 -1.70 -1.63 1.78 0.00 -1.26 -0.94 117.12 121.60 2kys n MET 5 Ca 0.23 0.35 -0.07 0.00 0.00 0.00 0.00 57.70 58.20 2kys n MET 5 Cb 0.45 -4.03 -0.02 0.00 0.00 0.00 0.00 33.22 29.62 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 0.74 -2.19 -3.66 3.17 7.64 -1.24 -3.23 113.62 114.85 2kys n SER 6 Ca -0.04 0.23 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 2kys n SER 6 Cb 0.25 -2.14 0.04 0.00 -1.01 0.00 0.00 64.21 61.35 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 -0.45 -4.08 -4.53 6.43 2.03 -0.11 -4.46 116.55 111.38 2kys n ASP 7 Ca -0.08 -0.94 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 2kys n ASP 7 Cb 0.35 -3.71 -0.02 0.00 -0.72 0.00 0.00 41.12 37.01 2kys n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kys s VAL 8 N -3.55 4.19 -0.62 5.18 1.01 -1.20 -4.53 120.40 120.88 2kys s VAL 8 Ca 0.32 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 61.22 2kys s VAL 8 Cb -0.10 -5.00 0.22 0.00 0.00 0.00 0.00 36.38 31.50 2kys s VAL 8 CO 0.84 -1.83 1.18 0.29 0.00 0.00 0.00 175.10 175.58 2kys n LYS 9 N 8.11 2.90 0.00 2.72 4.01 -1.26 -5.02 118.16 129.62 2kys n LYS 9 Ca 0.33 -1.91 0.00 0.00 -0.51 0.00 0.00 58.31 56.22 2kys n LYS 9 Cb 0.50 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kys n THR 11 N 0.00 0.00 -1.59 0.00 -2.24 -1.26 -4.74 114.28 104.45 2kys n THR 11 Ca 0.00 0.00 -0.57 0.00 -2.27 0.00 0.00 64.05 61.21 2kys n THR 11 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2kys n THR 11 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kys n SER 12 N -0.56 1.14 0.31 3.42 7.64 -1.26 -4.89 113.62 119.43 2kys n SER 12 Ca 0.00 1.13 0.19 0.00 1.01 0.00 0.00 58.87 61.21 2kys n SER 12 Cb 0.00 -1.06 1.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.68 0.22 -1.00 0.44 -1.51 -2.00 -2.74 116.25 113.34 2kys h VAL 13 Ca -0.48 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.26 2kys h VAL 13 Cb 1.37 0.96 -0.05 0.00 -2.13 0.00 0.00 31.29 31.43 2kys h VAL 13 CO 0.78 0.00 0.70 0.58 -1.23 0.00 0.00 177.57 178.40 2kys h VAL 14 N 0.00 0.53 0.00 7.19 2.07 -1.97 0.12 116.25 124.19 2kys h VAL 14 Ca 0.01 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2kys h VAL 14 Cb 0.10 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2kys h VAL 14 CO -0.00 0.02 -0.65 -0.07 0.02 0.00 0.00 177.57 176.90 2kys h LEU 15 N 0.14 0.00 -0.69 2.57 3.38 -1.84 -3.40 115.31 115.47 2kys h LEU 15 Ca 0.50 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2kys h LEU 15 Cb 1.74 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 2kys h LEU 15 CO -0.09 1.20 0.32 -0.07 0.09 0.00 0.00 178.44 179.89 2kys h LEU 16 N -1.00 0.92 -1.06 1.67 3.38 -1.39 -2.14 115.31 115.69 2kys h LEU 16 Ca -0.17 -0.14 0.20 0.00 0.09 0.00 0.00 57.88 57.86 2kys h LEU 16 Cb 1.07 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 2kys h LEU 16 CO -0.10 0.80 0.61 0.77 0.09 0.00 0.00 178.44 180.61 2kys h SER 17 N 0.96 0.74 -0.19 -0.43 4.64 -1.02 0.62 113.55 118.87 2kys h SER 17 Ca 0.23 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 2kys h SER 17 Cb 0.14 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2kys h SER 17 CO -0.03 0.24 -0.08 0.58 -0.87 0.00 0.00 176.83 176.67 2kys h VAL 18 N 0.71 1.22 0.13 0.95 2.07 -1.59 0.19 116.25 119.94 2kys h VAL 18 Ca 0.58 -0.96 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 2kys h VAL 18 Cb 0.98 1.07 0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2kys h VAL 18 CO -0.37 0.32 -0.92 -0.07 0.02 0.00 0.00 177.57 176.54 2kys h LEU 19 N 0.50 0.44 -1.54 2.57 -0.00 -1.15 -3.35 115.31 112.79 2kys h LEU 19 Ca 0.10 -0.93 -0.05 0.00 -0.00 0.00 0.00 57.88 57.00 2kys h LEU 19 Cb 0.45 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2kys h LEU 19 CO 0.02 1.43 -0.24 1.56 -0.00 0.00 0.00 178.44 181.22 2kys h GLN 20 N -0.37 0.00 0.00 1.13 4.20 -0.81 -2.75 115.11 116.50 2kys h GLN 20 Ca -0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2kys h GLN 20 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2kys h GLN 20 CO 0.13 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 178.53 2kys n GLN 21 N -4.20 0.03 0.00 1.46 10.64 0.66 -4.17 117.38 121.80 2kys n GLN 21 Ca -0.02 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 2kys n GLN 21 Cb 0.29 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 2kys n GLN 21 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kys n LEU 22 N -1.46 0.00 0.00 2.61 7.99 -1.04 -5.07 117.00 120.02 2kys n LEU 22 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2kys n LEU 22 Cb 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2kys n LEU 22 CO 0.10 0.00 0.00 -2.11 -1.51 0.00 0.00 177.39 173.87 2kys n ARG 23 N -0.42 0.00 -1.71 3.23 0.00 -1.20 -5.15 116.66 111.41 2kys n ARG 23 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2kys n ARG 23 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.44 2kys n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2kys n VAL 24 N 0.00 1.15 -1.59 8.89 0.31 -1.19 -4.84 118.33 121.05 2kys n VAL 24 Ca 0.00 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 63.90 2kys n VAL 24 Cb 0.00 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 2kys n VAL 24 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kys s GLU 25 N -0.69 1.60 0.44 5.55 2.02 -1.26 -4.79 118.70 121.57 2kys s GLU 25 Ca 0.64 0.37 0.30 0.00 0.02 0.00 0.00 54.97 56.31 2kys s GLU 25 Cb -0.57 -4.81 1.48 0.00 0.10 0.00 0.00 34.13 30.33 2kys s GLU 25 CO 0.51 -4.51 1.91 0.66 0.02 0.00 0.00 175.26 173.85 2kys h SER 26 N 12.52 0.00 -0.18 -0.19 4.64 -2.00 -1.47 113.55 126.87 2kys h SER 26 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2kys h SER 26 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2kys h SER 26 CO 1.01 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.77 2kys n SER 27 N -2.61 1.74 -4.56 4.97 7.64 -1.26 -4.83 113.62 114.71 2kys n SER 27 Ca -0.01 -1.73 -0.24 0.00 1.01 0.00 0.00 58.87 57.90 2kys n SER 27 Cb 0.14 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 2kys n SER 27 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kys s SER 28 N -1.54 4.09 0.56 6.43 0.01 -0.55 -5.02 113.70 117.67 2kys s SER 28 Ca 0.32 -0.78 0.28 0.00 1.31 0.00 0.00 55.95 57.08 2kys s SER 28 Cb 0.17 -0.59 1.47 0.00 0.21 0.00 0.00 66.02 67.28 2kys s SER 28 CO 0.26 0.04 1.95 0.07 0.41 0.00 0.00 173.24 175.97 2kys h LYS 29 N 2.30 0.00 -0.76 12.44 -0.00 -1.91 -2.61 116.57 126.02 2kys h LYS 29 Ca -0.43 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.36 2kys h LYS 29 Cb 1.24 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 33.38 2kys h LYS 29 CO 0.58 0.00 0.30 1.25 -0.00 0.00 0.00 179.45 181.59 2kys h LEU 30 N 0.00 0.28 -0.15 7.07 7.12 -1.96 0.39 115.31 128.06 2kys h LEU 30 Ca 0.25 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.40 2kys h LEU 30 Cb 1.16 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 2kys h LEU 30 CO -0.00 0.10 0.02 -0.25 -0.13 0.00 0.00 178.44 178.18 2kys h TRP 31 N 0.44 0.04 -0.19 1.25 7.01 -1.60 -2.98 115.95 119.92 2kys h TRP 31 Ca 0.42 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.32 2kys h TRP 31 Cb 0.64 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2kys h TRP 31 CO -0.17 0.01 -0.36 0.00 -2.79 0.00 0.00 178.44 175.13 2kys h ALA 32 N 1.11 1.03 -0.57 2.65 0.00 -1.25 -3.07 119.26 119.17 2kys h ALA 32 Ca 0.07 -0.40 0.17 0.00 0.00 0.00 0.00 54.91 54.74 2kys h ALA 32 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kys h ALA 32 CO -0.10 0.59 0.50 1.96 0.00 0.00 0.00 179.25 182.20 2kys h GLN 33 N 0.34 0.00 0.00 0.00 1.08 -0.14 -1.52 115.11 114.88 2kys h GLN 33 Ca 0.04 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 2kys h GLN 33 Cb 0.80 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2kys h GLN 33 CO 0.06 0.00 -0.65 0.00 -0.95 0.00 0.00 178.83 177.30 2kys h VAL 35 N -1.00 1.20 0.00 0.00 3.04 -1.43 -0.86 116.25 117.20 2kys h VAL 35 Ca -0.14 -0.60 -0.03 0.00 -1.01 0.00 0.00 66.70 64.91 2kys h VAL 35 Cb 0.84 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2kys h VAL 35 CO -0.08 0.17 -0.16 0.06 -1.01 0.00 0.00 177.57 176.55 2kys h GLN 36 N -0.08 0.00 0.00 4.17 -0.00 -1.52 -1.51 115.11 116.17 2kys h GLN 36 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2kys h GLN 36 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 2kys h GLN 36 CO 0.00 0.16 -0.70 1.25 -0.00 0.00 0.00 178.83 179.53 2kys h LEU 37 N 0.00 0.00 0.17 0.06 5.85 -1.54 -3.17 115.31 116.68 2kys h LEU 37 Ca -0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2kys h LEU 37 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2kys h LEU 37 CO 0.02 0.07 -0.08 -0.74 -0.34 0.00 0.00 178.44 177.37 2kys h HIS 38 N 0.00 -0.21 -0.60 1.25 -0.00 -0.11 -3.27 115.15 112.22 2kys h HIS 38 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2kys h HIS 38 Cb 0.83 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.28 2kys h HIS 38 CO 0.00 0.19 0.16 -0.91 -0.00 0.00 0.00 177.93 177.37 2kys h ASN 39 N -0.67 0.86 0.12 3.26 2.35 -1.60 -1.99 115.58 117.91 2kys h ASN 39 Ca -0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2kys h ASN 39 Cb 0.49 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2kys h ASN 39 CO 0.04 0.83 0.00 0.47 -1.65 0.00 0.00 177.43 177.11 2kys n ASP 40 N -4.27 0.00 0.09 5.81 8.00 -1.20 -1.48 116.55 123.51 2kys n ASP 40 Ca 0.05 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.48 2kys n ASP 40 Cb 0.23 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 2kys n ASP 40 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kys h ILE 41 N 0.00 0.21 -0.27 0.53 1.08 -1.40 -3.13 117.51 114.52 2kys h ILE 41 Ca 0.00 -0.85 -0.17 0.00 -0.39 0.00 0.00 64.86 63.44 2kys h ILE 41 Cb 0.06 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2kys h ILE 41 CO 0.00 0.06 -0.53 -0.07 -0.69 0.00 0.00 178.15 176.92 2kys h LEU 42 N -1.05 0.87 -0.04 1.44 3.38 -1.45 -2.84 115.31 115.62 2kys h LEU 42 Ca -0.03 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kys h LEU 42 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kys h LEU 42 CO 0.06 1.23 0.00 0.18 0.09 0.00 0.00 178.44 179.99 2kys n LEU 43 N -4.00 0.04 -4.65 1.67 4.32 -0.55 -4.90 117.00 108.93 2kys n LEU 43 Ca -0.04 -0.02 -0.28 0.00 -0.02 0.00 0.00 56.01 55.65 2kys n LEU 43 Cb 0.61 -0.02 0.19 0.00 -1.62 0.00 0.00 43.42 42.58 2kys n LEU 43 CO 0.49 0.01 0.62 0.00 -1.22 0.00 0.00 177.39 177.29 2kys s ALA 44 N -1.96 0.71 0.05 -1.18 0.00 -1.07 -4.93 121.76 113.38 2kys s ALA 44 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 2kys s ALA 44 Cb 0.00 -3.12 -0.18 0.00 0.00 0.00 0.00 23.12 19.82 2kys s ALA 44 CO 0.00 -3.02 1.45 0.87 0.00 0.00 0.00 175.76 175.06 2kys h LYS 45 N -2.03 -0.87 -3.93 0.00 1.79 -1.89 -3.48 116.57 106.16 2kys h LYS 45 Ca -0.56 0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 57.86 2kys h LYS 45 Cb 1.34 0.20 -0.12 0.00 -1.58 0.00 0.00 32.23 32.06 2kys h LYS 45 CO 0.57 -0.55 -0.32 -0.51 -1.08 0.00 0.00 179.45 177.56 2kys s ASP 46 N -4.46 0.03 0.16 0.86 1.01 -1.26 -5.04 116.67 107.98 2kys s ASP 46 Ca -0.17 -0.95 -0.20 0.00 0.71 0.00 0.00 52.55 51.94 2kys s ASP 46 Cb 0.03 0.46 0.08 0.00 1.01 0.00 0.00 42.92 44.50 2kys s ASP 46 CO 0.57 -0.94 1.64 0.74 0.21 0.00 0.00 175.17 177.38 2kys h THR 47 N 2.49 0.42 -0.65 -1.27 2.02 -1.94 0.27 112.91 114.26 2kys h THR 47 Ca -0.31 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2kys h THR 47 Cb 1.24 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2kys h THR 47 CO 0.46 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.62 2kys h THR 48 N -0.15 1.23 0.00 3.16 1.03 -2.00 -1.19 112.91 115.00 2kys h THR 48 Ca 0.18 -0.72 -0.11 0.00 -0.01 0.00 0.00 66.41 65.75 2kys h THR 48 Cb 0.43 0.50 -0.02 0.00 -1.07 0.00 0.00 68.15 67.99 2kys h THR 48 CO -0.45 0.29 -0.53 -0.08 -0.01 0.00 0.00 175.52 174.74 2kys h GLU 49 N 0.91 0.00 0.00 0.00 4.81 -1.93 -2.61 114.58 115.76 2kys h GLU 49 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2kys h GLU 49 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kys h GLU 49 CO -0.02 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2kys n ALA 50 N -2.24 -0.44 0.31 2.92 0.00 0.93 -3.66 120.51 118.33 2kys n ALA 50 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 2kys n ALA 50 Cb 0.74 0.04 0.54 0.00 0.00 0.00 0.00 19.45 20.76 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 -0.52 0.00 -0.00 -1.29 -2.84 116.94 112.29 2kys h PHE 51 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.07 2kys h PHE 51 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 35.84 2kys h PHE 51 CO 0.13 0.00 -0.32 0.93 -0.00 0.00 0.00 178.31 179.05 2kys h GLU 52 N 0.00 -0.18 0.00 6.09 4.39 -1.53 -0.97 114.58 122.38 2kys h GLU 52 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kys h GLU 52 Cb 0.59 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kys h GLU 52 CO 0.00 -0.12 0.00 0.36 -1.16 0.00 0.00 179.01 178.09 2kys n LYS 53 N -5.43 0.24 -0.03 2.33 2.85 -1.07 -2.68 118.16 114.38 2kys n LYS 53 Ca 0.03 0.31 -0.15 0.00 -1.05 0.00 0.00 58.31 57.45 2kys n LYS 53 Cb 0.35 -1.85 -0.11 0.00 -0.65 0.00 0.00 35.03 32.77 2kys n LYS 53 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2kys h MET 54 N 0.00 0.14 0.00 -1.58 4.05 -1.34 -3.25 114.93 112.95 2kys h MET 54 Ca 0.00 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2kys h MET 54 Cb 0.58 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 2kys h MET 54 CO 0.00 0.88 0.00 1.33 0.23 0.00 0.00 176.91 179.35 2kys n VAL 55 N -4.55 0.53 -0.04 -5.77 0.24 -0.48 -2.09 118.33 106.16 2kys n VAL 55 Ca -0.10 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2kys n VAL 55 Cb 0.47 -0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 32.03 2kys n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2kys h SER 56 N 0.00 0.03 0.66 -1.34 4.64 -1.66 -3.40 113.55 112.48 2kys h SER 56 Ca 0.00 -0.72 -0.06 0.00 -0.47 0.00 0.00 61.79 60.54 2kys h SER 56 Cb 0.58 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2kys h SER 56 CO 0.00 0.74 -0.31 0.17 -0.87 0.00 0.00 176.83 176.56 2kys h LEU 57 N -0.68 0.00 -2.19 5.97 8.10 -1.45 -1.57 115.31 123.49 2kys h LEU 57 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2kys h LEU 57 Cb 0.74 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.95 2kys h LEU 57 CO 0.01 0.31 0.21 0.17 -4.11 0.00 0.00 178.44 175.02 2kys h LEU 58 N 0.00 0.00 0.00 0.17 8.10 -1.75 -2.60 115.31 119.23 2kys h LEU 58 Ca -0.00 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.69 2kys h LEU 58 Cb 0.72 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.89 2kys h LEU 58 CO 0.04 0.00 -1.77 -0.24 -4.11 0.00 0.00 178.44 172.36 2kys n SER 59 N -3.89 0.81 0.00 0.17 2.88 -0.59 -1.89 113.62 111.11 2kys n SER 59 Ca 0.02 0.38 0.09 0.00 -1.33 0.00 0.00 58.87 58.02 2kys n SER 59 Cb 0.34 0.02 0.50 0.00 -0.75 0.00 0.00 64.21 64.32 2kys n SER 59 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2kys n VAL 60 N -3.02 0.11 0.09 2.46 3.14 -0.98 -2.76 118.33 117.37 2kys n VAL 60 Ca -0.18 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2kys n VAL 60 Cb 1.06 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 2kys n VAL 60 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kys n LEU 61 N -1.06 0.22 0.15 6.55 4.77 -1.24 -4.45 117.00 121.93 2kys n LEU 61 Ca 0.12 0.28 0.15 0.00 -0.03 0.00 0.00 56.01 56.53 2kys n LEU 61 Cb 0.08 0.11 0.70 0.00 -2.33 0.00 0.00 43.42 41.97 2kys n LEU 61 CO 0.10 -0.67 1.13 -0.07 -1.33 0.00 0.00 177.39 176.55 2kys h LEU 62 N 0.00 0.00 -0.43 2.23 4.07 -1.51 0.23 115.31 119.89 2kys h LEU 62 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 2kys h LEU 62 Cb 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 2kys h LEU 62 CO 0.00 0.00 0.01 -1.28 -1.08 0.00 0.00 178.44 176.09 2kys h SER 63 N 0.00 0.74 1.59 -0.43 0.87 -1.75 -1.59 113.55 112.98 2kys h SER 63 Ca 0.12 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2kys h SER 63 Cb 0.49 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2kys h SER 63 CO -0.00 0.86 -0.25 0.00 -0.53 0.00 0.00 176.83 176.90 2kys h MET 64 N 0.60 0.00 0.00 2.24 -0.00 -0.93 -3.42 114.93 113.43 2kys h MET 64 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 2kys h MET 64 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2kys h MET 64 CO 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 176.91 176.84 2kys n GLN 65 N -2.76 3.77 -3.34 -0.10 10.64 0.47 -5.06 117.38 121.00 2kys n GLN 65 Ca 0.03 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 2kys n GLN 65 Cb 0.51 -0.54 0.06 0.00 -0.86 0.00 0.00 30.24 29.40 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 0.39 -1.14 3.86 2.61 0.00 -0.60 -5.01 105.19 105.29 2kys n GLY 66 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 2kys n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kys n ALA 67 N -3.34 -1.39 0.01 4.61 0.00 -1.26 -5.06 120.51 114.09 2kys n ALA 67 Ca -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.62 2kys n ALA 67 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2kys n ALA 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kys n VAL 68 N -3.76 0.14 1.20 0.00 0.24 -1.26 -4.89 118.33 110.00 2kys n VAL 68 Ca 0.17 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2kys n VAL 68 Cb 0.58 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.96 0.22 0.27 -1.34 8.00 -1.26 -4.09 116.55 115.39 2kys n ASP 69 Ca 0.00 -1.42 0.13 0.00 0.71 0.00 0.00 54.79 54.21 2kys n ASP 69 Cb 0.30 -0.11 0.76 0.00 -0.02 0.00 0.00 41.12 42.04 2kys n ASP 69 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2kys h ILE 70 N 0.00 0.59 0.00 0.53 6.09 -1.92 -0.47 117.51 122.33 2kys h ILE 70 Ca 0.00 -0.42 -0.04 0.00 -1.37 0.00 0.00 64.86 63.03 2kys h ILE 70 Cb 0.11 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 2kys h ILE 70 CO 0.00 0.10 -0.19 0.78 -3.07 0.00 0.00 178.15 175.77 2kys h ASN 71 N 0.00 0.00 0.18 2.19 -0.26 -1.97 -3.32 115.58 112.40 2kys h ASN 71 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2kys h ASN 71 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2kys h ASN 71 CO 0.01 0.19 -0.09 0.03 -1.06 0.00 0.00 177.43 176.52 2kys h ARG 72 N 0.00 -0.23 -0.56 0.81 -0.00 -1.40 -0.33 114.38 112.67 2kys h ARG 72 Ca -0.00 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.52 2kys h ARG 72 Cb 0.98 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.97 2kys h ARG 72 CO 0.02 0.00 0.37 1.37 0.00 0.00 0.00 179.97 181.74 2kys h LEU 73 N -0.44 0.57 0.00 3.04 -0.00 -1.74 -1.72 115.31 115.02 2kys h LEU 73 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2kys h LEU 73 Cb 0.34 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2kys h LEU 73 CO 0.04 0.40 0.00 0.00 -0.00 0.00 0.00 178.44 178.88 2kys n GLU 75 N -0.94 2.50 -0.02 0.00 1.02 -0.57 -4.36 120.64 118.27 2kys n GLU 75 Ca 0.14 -1.52 -0.03 0.00 -0.02 0.00 0.00 57.16 55.73 2kys n GLU 75 Cb 0.07 -1.07 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.17 0.17 0.18 3.49 2.13 -0.41 -4.60 120.64 121.42 2kys n GLU 76 Ca 0.03 0.07 0.14 0.00 0.66 0.00 0.00 57.16 58.05 2kys n GLU 76 Cb 0.27 -0.73 0.56 0.00 0.27 0.00 0.00 31.44 31.81 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 -0.32 0.00 0.17 5.31 -0.00 -1.61 -2.33 114.93 116.15 2kys h MET 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2kys h MET 77 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2kys h MET 77 CO 0.00 0.00 -0.08 -0.07 -0.00 0.00 0.00 176.91 176.76 2kys h LEU 78 N 0.00 -0.20 -0.80 -0.10 3.38 -1.77 -2.68 115.31 113.14 2kys h LEU 78 Ca 0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2kys h LEU 78 Cb 0.38 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2kys h LEU 78 CO 0.00 0.28 0.28 -0.78 0.09 0.00 0.00 178.44 178.31 2kys h ASP 79 N -0.75 1.09 0.76 -0.43 3.58 -1.76 -2.79 116.42 116.11 2kys h ASP 79 Ca -0.02 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 2kys h ASP 79 Cb 0.51 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2kys h ASP 79 CO 0.04 0.98 -0.17 0.78 -2.88 0.00 0.00 179.24 177.99 2kys h ASN 80 N 1.13 0.00 0.51 2.28 2.35 -1.50 -0.34 115.58 120.01 2kys h ASN 80 Ca 0.25 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.82 2kys h ASN 80 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2kys h ASN 80 CO -0.02 0.17 -0.80 0.08 -1.65 0.00 0.00 177.43 175.22 2kys h ARG 81 N 0.00 0.22 0.00 0.81 0.11 -1.21 -3.36 114.38 110.95 2kys h ARG 81 Ca -0.00 -0.21 -0.09 0.00 0.10 0.00 0.00 59.98 59.78 2kys h ARG 81 Cb 0.60 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 2kys h ARG 81 CO 0.02 0.91 -0.42 0.00 0.10 0.00 0.00 179.97 180.57 2kys h ALA 82 N 1.03 0.93 0.00 0.08 0.00 -0.90 -2.90 119.26 117.48 2kys h ALA 82 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2kys h ALA 82 Cb 1.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2kys h ALA 82 CO 0.12 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 2kys h THR 83 N 0.00 0.97 0.00 0.00 1.03 -1.56 -2.20 112.91 111.14 2kys h THR 83 Ca -0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 2kys h THR 83 Cb 1.01 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 2kys h THR 83 CO 0.06 0.18 0.00 0.18 -0.01 0.00 0.00 175.52 175.93 2kys n LEU 84 N -4.07 0.00 -0.92 0.00 4.32 -1.10 -5.16 117.00 110.07 2kys n LEU 84 Ca -0.02 0.24 0.12 0.00 -0.02 0.00 0.00 56.01 56.33 2kys n LEU 84 Cb 0.26 -0.24 0.13 0.00 -1.62 0.00 0.00 43.42 41.95 2kys n LEU 84 CO 0.35 -0.06 0.65 0.00 -1.22 0.00 0.00 177.39 177.10