#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 -2.10 -1.61 1.61 -0.00 -1.26 -5.01 115.22 106.85 2kys n HIS 2 Ca 0.00 0.30 0.08 0.00 -0.00 0.00 0.00 57.72 58.10 2kys n HIS 2 Cb 0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.99 29.59 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 -3.46 -4.64 0.00 0.26 7.64 -1.26 -5.00 113.62 107.16 2kys n SER 3 Ca 0.00 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2kys n SER 3 Cb 0.11 -1.85 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 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 -2.22 0.00 0.00 1.43 0.00 -1.26 -5.04 118.16 111.07 2kys n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kys n LYS 4 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.29 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys n MET 5 N -0.37 0.00 -2.78 -1.58 0.00 -1.26 -5.06 117.12 106.08 2kys n MET 5 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 2kys n MET 5 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 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 -3.16 -3.44 3.17 7.64 -1.26 -2.72 113.62 113.86 2kys n SER 6 Ca 0.00 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.75 2kys n SER 6 Cb 0.03 -2.69 0.07 0.00 -1.01 0.00 0.00 64.21 60.61 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 -1.89 -3.78 -4.41 6.43 2.03 -1.26 -4.52 116.55 109.14 2kys n ASP 7 Ca -0.07 -0.72 -0.45 0.00 0.52 0.00 0.00 54.79 54.07 2kys n ASP 7 Cb 0.56 -4.81 -0.01 0.00 -0.72 0.00 0.00 41.12 36.15 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 -3.44 5.34 -1.50 5.18 1.01 -1.10 -4.66 120.40 121.22 2kys s VAL 8 Ca 0.20 -2.68 0.15 0.00 0.00 0.00 0.00 61.98 59.66 2kys s VAL 8 Cb -0.04 -4.75 0.02 0.00 0.00 0.00 0.00 36.38 31.61 2kys s VAL 8 CO 0.76 -1.41 0.86 0.29 0.00 0.00 0.00 175.10 175.60 2kys n LYS 9 N 4.73 1.65 -3.61 2.72 4.01 -1.26 -5.03 118.16 121.38 2kys n LYS 9 Ca 0.28 -0.89 -0.19 0.00 -0.51 0.00 0.00 58.31 57.00 2kys n LYS 9 Cb 0.43 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kys s THR 11 N -3.02 4.80 0.05 0.00 -1.32 -1.26 -4.86 115.64 110.03 2kys s THR 11 Ca 0.02 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2kys s THR 11 Cb -0.01 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 2kys s THR 11 CO 0.86 0.01 0.00 -0.24 -2.21 0.00 0.00 174.62 173.04 2kys n SER 12 N -0.03 -4.05 0.00 8.08 2.88 -1.26 -4.77 113.62 114.47 2kys n SER 12 Ca -0.08 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2kys n SER 12 Cb 0.53 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2kys n SER 12 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2kys n VAL 13 N -1.60 0.00 0.27 2.46 0.24 -1.26 -4.71 118.33 113.73 2kys n VAL 13 Ca 0.00 -0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 2kys n VAL 13 Cb 0.10 0.83 0.74 0.00 -1.47 0.00 0.00 33.84 34.03 2kys n VAL 13 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2kys h VAL 14 N 0.00 0.81 0.00 3.34 3.04 -2.00 0.78 116.25 122.22 2kys h VAL 14 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2kys h VAL 14 Cb 0.00 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2kys h VAL 14 CO 0.00 0.03 -0.12 0.17 -1.01 0.00 0.00 177.57 176.64 2kys h LEU 15 N 0.00 0.00 -0.83 3.16 -0.00 -1.88 -3.37 115.31 112.39 2kys h LEU 15 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 2kys h LEU 15 Cb 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.64 2kys h LEU 15 CO 0.00 0.47 0.48 -0.07 -0.00 0.00 0.00 178.44 179.32 2kys h LEU 16 N -0.82 0.68 -1.00 0.17 3.38 -1.64 0.91 115.31 117.00 2kys h LEU 16 Ca 0.00 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2kys h LEU 16 Cb 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 2kys h LEU 16 CO 0.00 0.39 0.62 -1.28 0.09 0.00 0.00 178.44 178.26 2kys h SER 17 N 0.80 0.86 0.53 -0.43 0.87 -1.13 -0.54 113.55 114.51 2kys h SER 17 Ca 0.40 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 2kys h SER 17 Cb 0.37 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2kys h SER 17 CO -0.25 0.40 -0.08 0.58 -0.53 0.00 0.00 176.83 176.95 2kys h VAL 18 N 0.89 0.32 0.10 2.23 2.07 -1.02 0.45 116.25 121.29 2kys h VAL 18 Ca 0.53 -0.50 -0.36 0.00 0.82 0.00 0.00 66.70 67.19 2kys h VAL 18 Cb 0.65 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2kys h VAL 18 CO -0.31 0.08 -2.02 0.18 0.02 0.00 0.00 177.57 175.51 2kys n LEU 19 N -3.37 2.42 0.22 2.57 7.99 -0.32 -4.23 117.00 122.27 2kys n LEU 19 Ca -0.01 0.19 0.06 0.00 -0.01 0.00 0.00 56.01 56.24 2kys n LEU 19 Cb 0.25 -0.92 0.49 0.00 -0.11 0.00 0.00 43.42 43.13 2kys n LEU 19 CO 0.28 0.80 0.83 1.56 -1.51 0.00 0.00 177.39 179.36 2kys h GLN 20 N 0.05 0.00 -0.08 3.23 4.20 -0.98 -0.09 115.11 121.44 2kys h GLN 20 Ca -0.43 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.31 2kys h GLN 20 Cb 2.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.80 2kys h GLN 20 CO 0.07 0.25 0.13 0.37 -0.67 0.00 0.00 178.83 178.98 2kys h GLN 21 N 0.00 0.00 0.00 1.46 4.15 -1.09 -3.14 115.11 116.49 2kys h GLN 21 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kys h GLN 21 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2kys h GLN 21 CO 0.03 0.00 -0.05 1.28 -1.93 0.00 0.00 178.83 178.16 2kys n LEU 22 N -3.57 0.79 -3.11 -2.39 7.99 -0.16 -5.03 117.00 111.52 2kys n LEU 22 Ca -0.01 -0.95 -0.17 0.00 -0.01 0.00 0.00 56.01 54.88 2kys n LEU 22 Cb 0.22 -0.03 0.07 0.00 -0.11 0.00 0.00 43.42 43.57 2kys n LEU 22 CO 0.24 0.23 0.14 0.54 -1.51 0.00 0.00 177.39 177.04 2kys n ARG 23 N -0.25 -6.15 -0.93 3.23 3.00 -0.53 -4.99 116.66 110.04 2kys n ARG 23 Ca 0.01 0.72 -0.35 0.00 -0.01 0.00 0.00 57.85 58.22 2kys n ARG 23 Cb 0.45 -5.40 0.07 0.00 0.00 0.00 0.00 32.46 27.58 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 -4.06 0.00 -3.85 1.55 3.14 -1.18 -4.99 118.33 108.94 2kys n VAL 24 Ca -0.15 -0.34 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 2kys n VAL 24 Cb 0.61 -0.20 -0.13 0.00 -1.06 0.00 0.00 33.84 33.06 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 -2.53 2.14 0.62 1.45 2.02 -1.26 -4.96 118.70 116.18 2kys s GLU 25 Ca 0.45 -1.59 0.33 0.00 0.02 0.00 0.00 54.97 54.18 2kys s GLU 25 Cb -0.15 -3.39 1.89 0.00 0.10 0.00 0.00 34.13 32.58 2kys s GLU 25 CO 0.76 -0.87 2.18 0.66 0.02 0.00 0.00 175.26 178.01 2kys h SER 26 N 7.99 0.00 -0.13 -0.19 4.64 -1.97 0.17 113.55 124.07 2kys h SER 26 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2kys h SER 26 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2kys h SER 26 CO 0.61 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.37 2kys n SER 27 N -3.53 0.74 -4.33 4.97 7.64 -1.26 -4.88 113.62 112.97 2kys n SER 27 Ca -0.01 -1.89 -0.24 0.00 1.01 0.00 0.00 58.87 57.75 2kys n SER 27 Cb 0.21 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kys s SER 28 N -1.14 2.77 0.55 6.43 0.15 0.05 -5.02 113.70 117.49 2kys s SER 28 Ca 0.14 -0.80 0.32 0.00 0.70 0.00 0.00 55.95 56.31 2kys s SER 28 Cb 0.07 -0.17 1.48 0.00 -1.71 0.00 0.00 66.02 65.70 2kys s SER 28 CO 0.11 0.03 1.87 0.07 1.20 0.00 0.00 173.24 176.51 2kys h LYS 29 N 3.53 0.00 -0.63 5.44 -0.00 -1.90 -1.48 116.57 121.54 2kys h LYS 29 Ca -0.44 0.00 0.10 0.00 -0.00 0.00 0.00 60.65 60.30 2kys h LYS 29 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.35 2kys h LYS 29 CO 0.46 0.00 0.24 1.25 -0.00 0.00 0.00 179.45 181.41 2kys h LEU 30 N 0.00 0.25 -1.80 7.07 7.12 -1.96 0.26 115.31 126.25 2kys h LEU 30 Ca 0.41 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.48 2kys h LEU 30 Cb 1.73 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.91 2kys h LEU 30 CO -0.00 0.14 -0.13 -0.25 -0.13 0.00 0.00 178.44 178.07 2kys h TRP 31 N 0.43 0.00 0.12 1.25 7.01 -1.38 -2.07 115.95 121.31 2kys h TRP 31 Ca 0.32 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 61.02 2kys h TRP 31 Cb 0.41 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2kys h TRP 31 CO -0.16 0.13 -1.50 0.00 -2.79 0.00 0.00 178.44 174.12 2kys h ALA 32 N 1.87 0.24 -0.42 2.65 0.00 -1.20 -3.32 119.26 119.09 2kys h ALA 32 Ca -0.00 -1.08 0.12 0.00 0.00 0.00 0.00 54.91 53.95 2kys h ALA 32 Cb 0.40 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2kys h ALA 32 CO 0.02 1.11 0.61 1.96 0.00 0.00 0.00 179.25 182.94 2kys h GLN 33 N 0.07 0.00 0.00 0.00 1.08 0.20 0.14 115.11 116.59 2kys h GLN 33 Ca -0.23 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.73 2kys h GLN 33 Cb 2.01 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.41 2kys h GLN 33 CO 0.17 0.00 -1.75 0.00 -0.95 0.00 0.00 178.83 176.30 2kys h VAL 35 N -0.87 0.78 0.00 0.00 2.07 -1.35 0.04 116.25 116.92 2kys h VAL 35 Ca -0.37 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 66.75 2kys h VAL 35 Cb 1.27 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2kys h VAL 35 CO -0.22 0.10 -1.18 0.06 0.02 0.00 0.00 177.57 176.35 2kys h GLN 36 N 0.54 0.00 0.00 1.57 -0.00 -1.02 -3.22 115.11 112.98 2kys h GLN 36 Ca 0.37 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.92 2kys h GLN 36 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.92 2kys h GLN 36 CO -0.32 0.71 -0.45 1.25 -0.00 0.00 0.00 178.83 180.02 2kys h LEU 37 N 0.00 0.00 0.44 0.06 6.46 -1.57 -2.74 115.31 117.95 2kys h LEU 37 Ca -0.10 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2kys h LEU 37 Cb 1.77 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.68 2kys h LEU 37 CO 0.10 0.45 -0.47 -0.74 -0.62 0.00 0.00 178.44 177.17 2kys h HIS 38 N 0.00 -1.30 -0.23 1.25 2.76 -1.01 -2.80 115.15 113.83 2kys h HIS 38 Ca -0.00 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2kys h HIS 38 Cb 0.98 0.51 -0.01 0.00 1.55 0.00 0.00 27.41 30.44 2kys h HIS 38 CO 0.00 -0.61 -0.01 -2.95 -1.30 0.00 0.00 177.93 173.05 2kys h ASN 39 N -0.91 0.31 0.16 3.26 7.08 -1.62 -1.33 115.58 122.53 2kys h ASN 39 Ca -0.05 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 2kys h ASN 39 Cb 0.79 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 36.95 2kys h ASN 39 CO -0.07 0.38 0.00 0.47 -2.08 0.00 0.00 177.43 176.13 2kys n ASP 40 N -4.34 0.23 -0.01 6.14 8.00 -1.04 -2.40 116.55 123.12 2kys n ASP 40 Ca 0.00 0.59 -0.16 0.00 0.71 0.00 0.00 54.79 55.93 2kys n ASP 40 Cb 0.21 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.56 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 1.54 0.00 0.53 1.08 -1.01 -2.55 117.51 117.10 2kys h ILE 41 Ca 0.00 -2.08 -0.04 0.00 -0.39 0.00 0.00 64.86 62.35 2kys h ILE 41 Cb 0.08 2.84 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 2kys h ILE 41 CO 0.00 0.58 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.78 2kys h LEU 42 N -0.45 0.00 -2.49 1.44 -0.00 -1.61 -2.04 115.31 110.17 2kys h LEU 42 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2kys h LEU 42 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2kys h LEU 42 CO 0.07 0.19 0.00 0.18 -0.00 0.00 0.00 178.44 178.88 2kys n LEU 43 N -3.31 3.68 -4.76 1.67 4.32 -1.04 -4.95 117.00 112.61 2kys n LEU 43 Ca 0.01 -1.85 -0.29 0.00 -0.02 0.00 0.00 56.01 53.86 2kys n LEU 43 Cb 0.43 -0.46 0.13 0.00 -1.62 0.00 0.00 43.42 41.90 2kys n LEU 43 CO 0.33 0.83 0.69 0.00 -1.22 0.00 0.00 177.39 178.01 2kys s ALA 44 N -1.32 1.75 -0.14 -1.18 0.00 -0.77 -5.00 121.76 115.10 2kys s ALA 44 Ca 0.44 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 2kys s ALA 44 Cb 0.24 -3.12 -0.20 0.00 0.00 0.00 0.00 23.12 20.04 2kys s ALA 44 CO 0.27 -2.20 0.55 0.87 0.00 0.00 0.00 175.76 175.26 2kys h LYS 45 N -1.43 0.00 0.00 0.00 1.79 -1.88 -3.49 116.57 111.56 2kys h LYS 45 Ca -0.50 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.55 2kys h LYS 45 Cb 1.30 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.89 2kys h LYS 45 CO 0.58 0.81 -0.26 -0.25 -1.08 0.00 0.00 179.45 179.25 2kys n ASP 46 N -4.62 2.60 0.12 0.86 8.00 -1.26 -5.06 116.55 117.19 2kys n ASP 46 Ca -0.11 -2.41 -0.06 0.00 0.71 0.00 0.00 54.79 52.92 2kys n ASP 46 Cb 0.42 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 2kys n ASP 46 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2kys h THR 47 N 0.91 0.00 -0.73 -3.53 2.02 -1.98 -3.27 112.91 106.33 2kys h THR 47 Ca -0.26 -0.60 0.06 0.00 0.77 0.00 0.00 66.41 66.37 2kys h THR 47 Cb 0.87 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 2kys h THR 47 CO 0.43 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.74 2kys h THR 48 N -0.98 0.98 0.00 3.16 1.03 -2.01 -0.59 112.91 114.50 2kys h THR 48 Ca -0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 2kys h THR 48 Cb 0.29 0.15 0.00 0.00 -1.07 0.00 0.00 68.15 67.52 2kys h THR 48 CO 0.06 0.14 0.00 -0.08 -0.01 0.00 0.00 175.52 175.63 2kys h GLU 49 N 0.77 0.00 0.22 0.00 4.57 -1.98 -1.80 114.58 116.35 2kys h GLU 49 Ca 0.33 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 2kys h GLU 49 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2kys h GLU 49 CO -0.19 0.00 -0.11 0.00 -1.18 0.00 0.00 179.01 177.54 2kys h ALA 50 N 2.20 -0.30 0.00 2.92 0.00 -1.15 -3.34 119.26 119.59 2kys h ALA 50 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2kys h ALA 50 Cb 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kys h ALA 50 CO 0.00 -0.30 -0.39 0.27 0.00 0.00 0.00 179.25 178.83 2kys h PHE 51 N -1.04 0.00 -0.38 0.00 -5.15 -1.49 -2.97 116.94 105.92 2kys h PHE 51 Ca -0.03 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.85 2kys h PHE 51 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.51 2kys h PHE 51 CO 0.03 0.39 0.55 0.93 -2.00 0.00 0.00 178.31 178.22 2kys h GLU 52 N 0.00 0.00 0.00 6.09 4.39 -1.45 0.16 114.58 123.77 2kys h GLU 52 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2kys h GLU 52 Cb 0.71 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 2kys h GLU 52 CO 0.05 0.00 -2.18 0.36 -1.16 0.00 0.00 179.01 176.08 2kys n LYS 53 N -3.39 0.67 0.01 2.33 2.85 -1.12 -4.30 118.16 115.20 2kys n LYS 53 Ca 0.07 0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.28 2kys n LYS 53 Cb 0.71 -1.58 0.09 0.00 -0.65 0.00 0.00 35.03 33.60 2kys n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys h MET 54 N 0.00 0.53 0.00 -1.58 -0.00 -0.85 -3.09 114.93 109.94 2kys h MET 54 Ca -0.42 -0.30 0.00 0.00 -0.00 0.00 0.00 59.70 58.99 2kys h MET 54 Cb 2.02 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 33.64 2kys h MET 54 CO 0.03 0.89 0.00 1.33 -0.00 0.00 0.00 176.91 179.16 2kys n VAL 55 N -3.99 0.40 -0.36 -0.10 0.24 0.20 -2.67 118.33 112.04 2kys n VAL 55 Ca -0.02 0.10 0.05 0.00 -2.04 0.00 0.00 64.34 62.42 2kys n VAL 55 Cb 0.55 -0.87 0.11 0.00 -1.47 0.00 0.00 33.84 32.16 2kys n VAL 55 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kys n SER 56 N -1.19 2.61 0.00 -1.34 7.64 -1.17 -4.56 113.62 115.62 2kys n SER 56 Ca 0.08 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.65 2kys n SER 56 Cb 0.09 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.34 2.03 0.16 -3.43 -0.00 -1.09 -4.76 117.00 109.57 2kys n LEU 57 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.16 2kys n LEU 57 Cb 0.46 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 44.43 2kys n LEU 57 CO 0.05 0.34 1.10 0.17 -0.00 0.00 0.00 177.39 179.05 2kys h LEU 58 N 0.00 0.19 -0.29 1.47 -0.00 -1.80 -0.37 115.31 114.50 2kys h LEU 58 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2kys h LEU 58 Cb 0.90 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 2kys h LEU 58 CO 0.00 0.14 -0.24 -1.28 -0.00 0.00 0.00 178.44 177.06 2kys h SER 59 N 0.22 0.71 -0.47 0.17 0.87 -1.87 -1.55 113.55 111.63 2kys h SER 59 Ca 0.06 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.09 2kys h SER 59 Cb -0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2kys h SER 59 CO -0.01 1.01 0.04 0.58 -0.53 0.00 0.00 176.83 177.92 2kys h VAL 60 N 0.41 1.25 0.31 2.23 2.07 -1.39 0.12 116.25 121.26 2kys h VAL 60 Ca 0.05 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2kys h VAL 60 Cb 0.79 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2kys h VAL 60 CO 0.06 0.36 -0.15 -0.07 0.02 0.00 0.00 177.57 177.79 2kys h LEU 61 N 0.82 -0.35 -2.07 2.57 3.38 -1.39 -3.23 115.31 115.03 2kys h LEU 61 Ca 0.16 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2kys h LEU 61 Cb 0.43 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kys h LEU 61 CO 0.02 -0.08 0.35 -0.07 0.09 0.00 0.00 178.44 178.74 2kys h LEU 62 N -0.76 0.00 0.00 1.67 4.07 -1.02 0.50 115.31 119.77 2kys h LEU 62 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2kys h LEU 62 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2kys h LEU 62 CO 0.07 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 177.19 2kys n SER 63 N -3.64 0.00 0.00 -0.43 2.88 0.41 -2.32 113.62 110.51 2kys n SER 63 Ca 0.04 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 2kys n SER 63 Cb 0.49 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 -1.04 1.78 0.00 -1.46 0.00 0.16 -4.99 117.12 111.58 2kys n MET 64 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.89 2kys n MET 64 Cb 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 32.44 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 -1.32 1.88 -3.35 3.17 10.64 -0.48 -5.10 117.38 122.82 2kys n GLN 65 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 2kys n GLN 65 Cb 0.11 -0.16 0.02 0.00 -0.86 0.00 0.00 30.24 29.35 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 -1.19 3.87 2.61 0.00 -0.98 -4.92 105.19 104.58 2kys n GLY 66 Ca 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.17 3.56 -0.22 4.61 0.00 -1.26 -5.04 121.76 120.24 2kys s ALA 67 Ca 0.19 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2kys s ALA 67 Cb -0.05 -2.46 -0.18 0.00 0.00 0.00 0.00 23.12 20.43 2kys s ALA 67 CO 0.80 0.49 0.11 1.33 0.00 0.00 0.00 175.76 178.49 2kys n VAL 68 N 0.04 1.53 0.50 0.00 0.24 -1.26 -4.56 118.33 114.82 2kys n VAL 68 Ca -0.01 -0.09 -0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2kys n VAL 68 Cb 0.52 -2.02 0.09 0.00 -1.47 0.00 0.00 33.84 30.96 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 -4.40 2.44 0.04 -1.34 8.00 -1.26 -4.31 116.55 115.72 2kys n ASP 69 Ca -0.36 -2.28 0.10 0.00 0.71 0.00 0.00 54.79 52.97 2kys n ASP 69 Cb 0.72 -0.56 0.43 0.00 -0.02 0.00 0.00 41.12 41.69 2kys n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kys n ILE 70 N 0.14 0.71 1.13 0.53 0.13 -1.26 -1.32 119.36 119.41 2kys n ILE 70 Ca 0.09 0.14 0.12 0.00 -1.10 0.00 0.00 62.75 62.00 2kys n ILE 70 Cb 0.56 -0.89 0.20 0.00 -0.84 0.00 0.00 39.64 38.67 2kys n ILE 70 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2kys n ASN 71 N -1.76 1.32 0.13 9.51 5.03 -1.26 -4.37 115.26 123.86 2kys n ASN 71 Ca 0.04 -1.06 -0.10 0.00 0.87 0.00 0.00 54.58 54.33 2kys n ASN 71 Cb 0.25 0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 39.27 2kys n ASN 71 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2kys h ARG 72 N 1.45 -0.38 -0.90 3.52 -0.00 -1.53 -3.15 114.38 113.38 2kys h ARG 72 Ca 0.00 0.03 0.22 0.00 -0.50 0.00 0.00 59.98 59.72 2kys h ARG 72 Cb 0.59 0.09 -0.06 0.00 0.00 0.00 0.00 29.97 30.59 2kys h ARG 72 CO 0.00 -0.08 0.60 1.37 0.00 0.00 0.00 179.97 181.87 2kys h LEU 73 N -0.98 0.32 0.18 3.04 -0.00 -1.72 -2.08 115.31 114.07 2kys h LEU 73 Ca -0.04 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2kys h LEU 73 Cb 0.48 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 2kys h LEU 73 CO 0.07 0.12 -0.32 0.00 -0.00 0.00 0.00 178.44 178.31 2kys n GLU 75 N -5.42 0.36 -0.08 0.00 1.02 -0.80 -0.93 120.64 114.80 2kys n GLU 75 Ca -0.07 0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2kys n GLU 75 Cb 0.33 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.23 0.47 0.16 3.49 2.13 -0.87 -4.26 120.64 120.53 2kys n GLU 76 Ca 0.11 0.32 0.03 0.00 0.66 0.00 0.00 57.16 58.27 2kys n GLU 76 Cb 0.14 -1.47 0.41 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.93 0.12 0.00 5.31 -0.00 -0.93 0.26 114.93 118.76 2kys h MET 77 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2kys h MET 77 Cb 0.76 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.34 2kys h MET 77 CO 0.00 0.33 0.00 1.25 -0.00 0.00 0.00 176.91 178.49 2kys h LEU 78 N 0.12 0.00 0.00 -0.10 5.85 -1.24 -3.13 115.31 116.81 2kys h LEU 78 Ca 0.02 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.37 2kys h LEU 78 Cb 0.43 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 2kys h LEU 78 CO 0.03 0.00 -2.40 0.47 -0.34 0.00 0.00 178.44 176.20 2kys n ASP 79 N -3.03 0.20 0.25 1.25 8.00 -0.19 -3.60 116.55 119.44 2kys n ASP 79 Ca -0.00 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.56 2kys n ASP 79 Cb 0.23 0.86 0.63 0.00 -0.02 0.00 0.00 41.12 42.82 2kys n ASP 79 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2kys h ASN 80 N 0.00 0.00 0.25 -2.24 -0.26 -0.98 -2.01 115.58 110.34 2kys h ASN 80 Ca -0.55 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 54.86 2kys h ASN 80 Cb 2.21 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 39.51 2kys h ASN 80 CO 0.02 0.05 -1.45 0.08 -1.06 0.00 0.00 177.43 175.07 2kys h ARG 81 N 0.00 0.52 0.00 0.81 0.11 -1.71 -3.37 114.38 110.74 2kys h ARG 81 Ca -0.00 -0.89 -0.00 0.00 0.10 0.00 0.00 59.98 59.19 2kys h ARG 81 Cb 0.09 0.33 -0.00 0.00 1.11 0.00 0.00 29.97 31.50 2kys h ARG 81 CO 0.01 1.43 -0.02 0.00 0.10 0.00 0.00 179.97 181.48 2kys h ALA 82 N 0.14 1.19 -0.00 0.08 0.00 -1.43 -2.78 119.26 116.46 2kys h ALA 82 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kys h ALA 82 Cb 2.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2kys h ALA 82 CO 0.26 0.03 -0.20 -2.37 0.00 0.00 0.00 179.25 176.97 2kys n THR 83 N -3.38 0.00 -0.23 0.00 5.66 -1.05 -3.46 114.28 111.81 2kys n THR 83 Ca -0.02 -0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.08 2kys n THR 83 Cb 0.13 -0.20 0.28 0.00 -1.55 0.00 0.00 70.33 68.99 2kys n THR 83 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kys n LEU 84 N -1.49 3.69 0.00 1.09 4.77 -1.05 -5.15 117.00 118.86 2kys n LEU 84 Ca 0.06 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 2kys n LEU 84 Cb 0.34 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2kys n LEU 84 CO 0.30 0.90 0.13 0.00 -1.33 0.00 0.00 177.39 177.39