#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 -1.63 0.00 1.61 5.04 -1.26 -5.11 115.29 113.93 2kys s HIS 2 Ca 0.00 1.45 0.00 0.00 -1.54 0.00 0.00 55.06 54.97 2kys s HIS 2 Cb 0.00 0.45 0.00 0.00 0.04 0.00 0.00 32.58 33.07 2kys s HIS 2 CO 0.00 -0.94 0.00 0.45 -2.34 0.00 0.00 174.74 171.91 2kys n SER 3 N 5.42 -3.71 -0.15 9.88 2.88 -1.26 -3.68 113.62 123.01 2kys n SER 3 Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2kys n SER 3 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 2kys n SER 3 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kys h LYS 4 N 0.00 -0.17 -3.15 -1.46 2.10 -2.10 -3.46 116.57 108.34 2kys h LYS 4 Ca 0.00 0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2kys h LYS 4 Cb 0.00 0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.29 2kys h LYS 4 CO 0.00 -0.11 0.14 0.00 -2.00 0.00 0.00 179.45 177.47 2kys s MET 5 N -6.06 1.55 -0.29 0.07 0.23 -1.24 -5.05 119.30 108.51 2kys s MET 5 Ca -0.15 -0.88 0.12 0.00 -1.03 0.00 0.00 55.69 53.75 2kys s MET 5 Cb 0.15 0.57 0.47 0.00 -1.53 0.00 0.00 34.83 34.49 2kys s MET 5 CO 0.69 -0.69 1.16 0.43 -2.03 0.00 0.00 175.02 174.58 2kys n SER 6 N -0.40 3.89 -2.86 -1.18 7.64 -1.25 -4.89 113.62 114.57 2kys n SER 6 Ca -0.08 -3.24 -0.12 0.00 1.01 0.00 0.00 58.87 56.44 2kys n SER 6 Cb 0.61 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.65 -3.66 -3.92 6.43 -0.08 -1.26 -4.16 116.55 109.25 2kys n ASP 7 Ca 0.33 -0.51 -0.34 0.00 -1.51 0.00 0.00 54.79 52.75 2kys n ASP 7 Cb 0.90 -4.09 -0.06 0.00 2.34 0.00 0.00 41.12 40.21 2kys n ASP 7 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2kys n VAL 8 N -3.14 3.16 0.98 5.18 0.31 -1.26 -4.32 118.33 119.23 2kys n VAL 8 Ca -0.15 -5.26 0.11 0.00 -0.01 0.00 0.00 64.34 59.03 2kys n VAL 8 Cb 0.61 -2.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 2kys n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2kys n LYS 9 N 1.77 1.10 -3.24 5.55 4.01 -1.26 -5.03 118.16 121.06 2kys n LYS 9 Ca 0.24 -0.86 -0.15 0.00 -0.51 0.00 0.00 58.31 57.04 2kys n LYS 9 Cb 0.37 -1.47 0.01 0.00 -0.51 0.00 0.00 35.03 33.44 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 -1.20 0.00 -2.10 0.00 5.66 -1.26 -4.94 114.28 110.45 2kys n THR 11 Ca -0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 2kys n THR 11 Cb 0.57 -0.54 -0.03 0.00 -1.55 0.00 0.00 70.33 68.77 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 0.30 1.09 0.01 -1.26 -4.89 113.70 114.70 2kys s SER 12 Ca 0.00 2.35 0.25 0.00 1.31 0.00 0.00 55.95 59.87 2kys s SER 12 Cb 0.00 -2.58 1.03 0.00 0.21 0.00 0.00 66.02 64.68 2kys s SER 12 CO 0.00 -0.74 1.76 -0.37 0.41 0.00 0.00 173.24 174.30 2kys h VAL 13 N 4.48 0.00 -0.28 3.43 -1.51 -1.99 -3.20 116.25 117.17 2kys h VAL 13 Ca -0.41 -0.30 0.08 0.00 -1.23 0.00 0.00 66.70 64.84 2kys h VAL 13 Cb 1.20 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 2kys h VAL 13 CO 0.89 0.00 0.45 0.58 -1.23 0.00 0.00 177.57 178.26 2kys h VAL 14 N 0.00 0.23 0.00 7.19 2.07 -2.00 0.45 116.25 124.19 2kys h VAL 14 Ca 0.00 0.00 -0.44 0.00 0.82 0.00 0.00 66.70 67.08 2kys h VAL 14 Cb 0.42 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2kys h VAL 14 CO 0.00 0.00 -2.50 0.00 0.02 0.00 0.00 177.57 175.09 2kys n LEU 15 N -3.39 2.06 0.08 2.57 -0.00 -1.21 -4.10 117.00 113.01 2kys n LEU 15 Ca 0.05 0.26 -0.04 0.00 -0.00 0.00 0.00 56.01 56.27 2kys n LEU 15 Cb 0.58 -0.81 0.17 0.00 -0.00 0.00 0.00 43.42 43.36 2kys n LEU 15 CO 0.22 0.62 0.58 -0.07 -0.00 0.00 0.00 177.39 178.74 2kys h LEU 16 N -0.82 0.31 -1.52 1.47 -0.00 -1.38 -2.69 115.31 110.68 2kys h LEU 16 Ca -0.67 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.03 2kys h LEU 16 Cb 1.64 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.20 2kys h LEU 16 CO -0.37 0.74 -0.09 -1.28 -0.00 0.00 0.00 178.44 177.45 2kys h SER 17 N 0.23 0.19 -0.32 -0.43 0.87 -1.23 -2.32 113.55 110.54 2kys h SER 17 Ca 0.01 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2kys h SER 17 Cb 0.92 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2kys h SER 17 CO 0.08 0.30 -0.32 0.58 -0.53 0.00 0.00 176.83 176.94 2kys h VAL 18 N 0.20 1.28 -0.02 2.23 2.07 -1.69 -1.93 116.25 118.38 2kys h VAL 18 Ca 0.04 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 2kys h VAL 18 Cb 0.28 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2kys h VAL 18 CO 0.01 0.49 -0.06 -0.07 0.02 0.00 0.00 177.57 177.97 2kys h LEU 19 N 0.71 0.08 -0.25 2.57 4.07 -1.37 -3.02 115.31 118.12 2kys h LEU 19 Ca 0.07 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.43 2kys h LEU 19 Cb 0.88 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2kys h LEU 19 CO 0.08 0.68 0.00 0.00 -1.08 0.00 0.00 178.44 178.12 2kys n GLN 20 N -4.73 0.06 0.20 1.13 10.64 -0.93 -1.94 117.38 121.81 2kys n GLN 20 Ca -0.09 0.34 0.14 0.00 -1.83 0.00 0.00 57.00 55.56 2kys n GLN 20 Cb 0.34 -1.62 0.70 0.00 -0.86 0.00 0.00 30.24 28.80 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 0.00 0.00 2.61 4.20 -1.20 -3.41 115.11 117.31 2kys h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kys h GLN 21 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kys h GLN 21 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2kys n LEU 22 N -2.44 0.00 -1.15 1.46 7.99 -0.82 -5.03 117.00 117.01 2kys n LEU 22 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2kys n LEU 22 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2kys n LEU 22 CO 0.14 0.00 0.16 -2.11 -1.51 0.00 0.00 177.39 174.07 2kys n ARG 23 N -0.58 0.01 -1.03 3.23 -4.01 -1.22 -5.16 116.66 107.90 2kys n ARG 23 Ca 0.00 -0.01 -0.33 0.00 -1.04 0.00 0.00 57.85 56.46 2kys n ARG 23 Cb 0.00 0.18 0.13 0.00 -3.04 0.00 0.00 32.46 29.74 2kys n ARG 23 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 2kys n VAL 24 N -0.01 1.60 -4.10 8.89 3.14 -1.23 -5.04 118.33 121.58 2kys n VAL 24 Ca -0.00 -0.18 -0.33 0.00 -2.96 0.00 0.00 64.34 60.87 2kys n VAL 24 Cb 0.41 -1.12 -0.16 0.00 -1.06 0.00 0.00 33.84 31.92 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 -4.12 2.72 0.26 1.45 2.02 -1.26 -4.99 118.70 114.78 2kys s GLU 25 Ca 0.71 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.71 2kys s GLU 25 Cb -0.28 -2.63 0.37 0.00 0.10 0.00 0.00 34.13 31.69 2kys s GLU 25 CO 0.53 -0.32 1.89 0.66 0.02 0.00 0.00 175.26 178.04 2kys h SER 26 N 7.90 1.06 0.00 -0.19 4.64 -2.00 -2.74 113.55 122.22 2kys h SER 26 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2kys h SER 26 Cb 1.11 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2kys h SER 26 CO 0.58 0.69 0.00 -1.20 -0.87 0.00 0.00 176.83 176.03 2kys n SER 27 N -4.48 1.14 -4.12 4.97 7.64 -1.26 -4.71 113.62 112.80 2kys n SER 27 Ca 0.15 -1.51 -0.11 0.00 1.01 0.00 0.00 58.87 58.41 2kys n SER 27 Cb 0.15 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.07 0.96 0.57 6.43 0.15 -1.03 -5.05 113.70 115.80 2kys s SER 28 Ca 0.00 -0.82 0.27 0.00 0.70 0.00 0.00 55.95 56.11 2kys s SER 28 Cb 0.00 0.08 1.50 0.00 -1.71 0.00 0.00 66.02 65.89 2kys s SER 28 CO 0.00 -0.37 1.99 0.07 1.20 0.00 0.00 173.24 176.13 2kys h LYS 29 N 3.60 0.00 -0.07 5.44 -0.00 -1.85 -3.10 116.57 120.59 2kys h LYS 29 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2kys h LYS 29 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2kys h LYS 29 CO 0.55 0.00 0.05 1.25 -0.00 0.00 0.00 179.45 181.30 2kys h LEU 30 N 0.00 0.08 -0.64 7.07 7.12 -1.91 0.10 115.31 127.13 2kys h LEU 30 Ca 0.19 -0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.32 2kys h LEU 30 Cb 0.92 -0.02 -0.11 0.00 -0.53 0.00 0.00 40.66 40.92 2kys h LEU 30 CO -0.00 0.08 -0.07 -0.25 -0.13 0.00 0.00 178.44 178.07 2kys h TRP 31 N 0.08 -0.18 -0.31 1.25 7.01 -1.70 -1.89 115.95 120.22 2kys h TRP 31 Ca 0.03 0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.94 2kys h TRP 31 Cb 0.01 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2kys h TRP 31 CO -0.07 -0.23 -0.36 0.00 -2.79 0.00 0.00 178.44 174.99 2kys h ALA 32 N 1.61 0.46 -0.94 2.65 0.00 -1.60 -2.87 119.26 118.57 2kys h ALA 32 Ca 0.32 -0.44 0.27 0.00 0.00 0.00 0.00 54.91 55.06 2kys h ALA 32 Cb 0.52 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 2kys h ALA 32 CO -0.60 0.54 0.43 1.96 0.00 0.00 0.00 179.25 181.57 2kys h GLN 33 N 0.55 0.31 0.41 0.00 1.08 -0.01 0.13 115.11 117.58 2kys h GLN 33 Ca 0.04 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2kys h GLN 33 Cb 0.95 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2kys h GLN 33 CO 0.09 0.20 -0.20 0.00 -0.95 0.00 0.00 178.83 177.97 2kys h VAL 35 N -0.83 0.95 -0.03 0.00 2.07 -1.12 -2.50 116.25 114.79 2kys h VAL 35 Ca -0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2kys h VAL 35 Cb 0.42 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2kys h VAL 35 CO 0.09 0.14 -0.02 0.06 0.02 0.00 0.00 177.57 177.87 2kys h GLN 36 N 0.76 0.06 0.00 1.57 -0.00 -0.90 -3.27 115.11 113.34 2kys h GLN 36 Ca 0.35 -0.03 -0.05 0.00 -0.00 0.00 0.00 58.65 58.92 2kys h GLN 36 Cb 0.26 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 2kys h GLN 36 CO -0.21 0.47 -0.23 1.25 -0.00 0.00 0.00 178.83 180.12 2kys h LEU 37 N -0.35 0.00 0.14 0.06 6.46 -1.09 -2.16 115.31 118.36 2kys h LEU 37 Ca 0.01 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2kys h LEU 37 Cb 0.46 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 2kys h LEU 37 CO 0.00 0.23 -0.41 -0.74 -0.62 0.00 0.00 178.44 176.90 2kys h HIS 38 N 0.00 -1.16 -0.02 1.25 2.76 -1.51 -2.78 115.15 113.69 2kys h HIS 38 Ca -0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2kys h HIS 38 Cb 0.41 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2kys h HIS 38 CO 0.00 -0.52 -0.40 -0.91 -1.30 0.00 0.00 177.93 174.80 2kys h ASN 39 N -0.66 0.05 0.03 3.26 2.35 -1.48 -2.00 115.58 117.12 2kys h ASN 39 Ca 0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kys h ASN 39 Cb 0.68 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2kys h ASN 39 CO -0.23 0.45 0.00 0.47 -1.65 0.00 0.00 177.43 176.47 2kys n ASP 40 N -4.06 0.00 -0.04 5.81 8.00 -0.97 -2.18 116.55 123.11 2kys n ASP 40 Ca -0.02 -0.14 -0.18 0.00 0.71 0.00 0.00 54.79 55.17 2kys n ASP 40 Cb 0.44 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.44 0.00 0.53 1.08 -1.26 -3.17 117.51 116.13 2kys h ILE 41 Ca 0.00 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 2kys h ILE 41 Cb 0.01 3.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 2kys h ILE 41 CO 0.00 0.58 0.00 -0.07 -0.69 0.00 0.00 178.15 177.97 2kys h LEU 42 N -0.77 0.00 -3.47 1.44 -0.00 -1.60 -2.62 115.31 108.28 2kys h LEU 42 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.67 2kys h LEU 42 Cb 1.30 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.93 2kys h LEU 42 CO -0.01 0.00 0.05 0.18 -0.00 0.00 0.00 178.44 178.67 2kys n LEU 43 N -2.85 4.97 -4.96 1.67 4.32 -0.97 -4.96 117.00 114.21 2kys n LEU 43 Ca 0.02 -3.10 -0.22 0.00 -0.02 0.00 0.00 56.01 52.70 2kys n LEU 43 Cb 0.35 -0.64 0.02 0.00 -1.62 0.00 0.00 43.42 41.54 2kys n LEU 43 CO 0.28 0.73 0.32 0.00 -1.22 0.00 0.00 177.39 177.49 2kys s ALA 44 N -2.88 3.84 -0.03 -1.18 0.00 -0.99 -4.94 121.76 115.58 2kys s ALA 44 Ca 0.49 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 2kys s ALA 44 Cb 0.39 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.30 2kys s ALA 44 CO 0.11 -0.55 0.79 0.87 0.00 0.00 0.00 175.76 176.99 2kys h LYS 45 N 0.25 -0.49 -4.78 0.00 1.79 -1.88 -3.47 116.57 107.99 2kys h LYS 45 Ca -0.44 0.03 -0.36 0.00 -2.18 0.00 0.00 60.65 57.71 2kys h LYS 45 Cb 1.27 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 31.89 2kys h LYS 45 CO 0.55 -0.24 -0.57 -0.51 -1.08 0.00 0.00 179.45 177.60 2kys s ASP 46 N -5.00 1.04 0.07 0.86 1.01 -1.26 -5.02 116.67 108.38 2kys s ASP 46 Ca -0.10 -1.52 -0.24 0.00 0.71 0.00 0.00 52.55 51.39 2kys s ASP 46 Cb 0.01 0.40 -0.16 0.00 1.01 0.00 0.00 42.92 44.17 2kys s ASP 46 CO 0.34 -0.89 1.65 0.74 0.21 0.00 0.00 175.17 177.22 2kys h THR 47 N 2.36 0.98 -0.26 -1.27 2.02 -1.94 0.19 112.91 114.99 2kys h THR 47 Ca -0.33 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2kys h THR 47 Cb 1.25 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2kys h THR 47 CO 0.50 0.04 0.14 0.00 0.37 0.00 0.00 175.52 176.57 2kys h THR 48 N -0.17 1.13 0.00 3.16 1.03 -2.00 -2.77 112.91 113.29 2kys h THR 48 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 2kys h THR 48 Cb 0.14 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 2kys h THR 48 CO 0.02 0.13 0.00 1.21 -0.01 0.00 0.00 175.52 176.86 2kys n GLU 49 N -4.83 0.16 0.01 0.00 2.13 -1.05 -0.99 120.64 116.07 2kys n GLU 49 Ca -0.02 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 2kys n GLU 49 Cb 0.08 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.29 2kys n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys h ALA 50 N 3.07 -0.23 0.00 4.31 0.00 -0.82 -3.40 119.26 122.19 2kys h ALA 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kys h ALA 50 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kys h ALA 50 CO 0.00 -0.23 0.00 1.97 0.00 0.00 0.00 179.25 180.99 2kys n PHE 51 N -2.35 0.80 -0.34 0.00 -1.74 -1.05 -2.64 117.46 110.14 2kys n PHE 51 Ca -0.00 0.28 0.18 0.00 -0.56 0.00 0.00 57.45 57.35 2kys n PHE 51 Cb 0.01 -0.96 0.40 0.00 1.52 0.00 0.00 39.48 40.45 2kys n PHE 51 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 2kys h GLU 52 N 0.00 0.56 0.09 3.97 5.08 -1.27 -1.08 114.58 121.93 2kys h GLU 52 Ca 0.00 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 2kys h GLU 52 Cb 0.47 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2kys h GLU 52 CO 0.00 0.37 -1.49 1.57 -1.00 0.00 0.00 179.01 178.46 2kys h LYS 53 N 0.58 0.18 -0.39 2.33 2.10 -1.73 -3.37 116.57 116.27 2kys h LYS 53 Ca 0.61 -0.31 0.06 0.00 -2.00 0.00 0.00 60.65 59.01 2kys h LYS 53 Cb 1.21 0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.60 2kys h LYS 53 CO -0.41 1.02 0.07 1.98 -2.00 0.00 0.00 179.45 180.11 2kys h MET 54 N 0.05 0.18 0.00 0.07 4.05 -1.31 -1.62 114.93 116.35 2kys h MET 54 Ca -0.22 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2kys h MET 54 Cb 1.98 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.74 2kys h MET 54 CO 0.15 0.12 0.00 -0.39 0.23 0.00 0.00 176.91 177.02 2kys h VAL 55 N 0.19 0.00 0.03 -5.77 -1.51 -1.48 -2.06 116.25 105.65 2kys h VAL 55 Ca 0.19 -0.39 -0.31 0.00 -1.23 0.00 0.00 66.70 64.97 2kys h VAL 55 Cb 0.23 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.62 2kys h VAL 55 CO -0.26 0.00 -1.77 -1.20 -1.23 0.00 0.00 177.57 173.11 2kys n SER 56 N -2.69 1.15 0.17 4.19 7.64 -0.98 -4.31 113.62 118.79 2kys n SER 56 Ca 0.01 0.37 -0.14 0.00 1.01 0.00 0.00 58.87 60.12 2kys n SER 56 Cb 0.28 -0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 2kys n SER 56 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kys h LEU 57 N 0.02 -0.31 0.00 -3.43 7.12 -0.62 -2.80 115.31 115.29 2kys h LEU 57 Ca -0.32 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.66 2kys h LEU 57 Cb 2.02 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 42.23 2kys h LEU 57 CO 0.08 -0.17 0.00 0.00 -0.13 0.00 0.00 178.44 178.22 2kys n LEU 58 N -5.22 0.00 -0.01 2.25 -0.00 -0.96 -2.06 117.00 111.01 2kys n LEU 58 Ca -0.10 0.16 -0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2kys n LEU 58 Cb 0.18 -0.16 -0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2kys n LEU 58 CO 0.35 -0.15 -0.54 -0.24 -0.00 0.00 0.00 177.39 176.80 2kys n SER 59 N -1.16 4.58 0.16 1.45 2.88 -1.12 -4.28 113.62 116.12 2kys n SER 59 Ca 0.01 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.56 2kys n SER 59 Cb 0.01 0.76 0.32 0.00 -0.75 0.00 0.00 64.21 64.54 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 1.28 0.50 2.46 3.04 -1.15 -2.23 116.25 120.15 2kys h VAL 60 Ca -0.03 -1.35 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 2kys h VAL 60 Cb 0.70 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 2kys h VAL 60 CO 0.00 0.39 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.64 2kys h LEU 61 N 0.06 -0.57 -1.31 3.16 -0.00 -1.78 -3.33 115.31 111.55 2kys h LEU 61 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 57.88 57.86 2kys h LEU 61 Cb 0.70 0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.47 2kys h LEU 61 CO 0.05 -0.21 0.50 -0.07 -0.00 0.00 0.00 178.44 178.71 2kys h LEU 62 N -0.99 0.77 0.00 1.67 3.38 -1.70 -0.16 115.31 118.28 2kys h LEU 62 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kys h LEU 62 Cb 0.61 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kys h LEU 62 CO 0.11 0.52 0.00 -0.24 0.09 0.00 0.00 178.44 178.92 2kys n SER 63 N -4.46 0.00 0.00 -0.43 2.88 -0.86 -0.76 113.62 109.99 2kys n SER 63 Ca 0.10 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2kys n SER 63 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.88 3.92 0.00 -1.46 0.00 -0.09 -4.97 117.12 113.64 2kys n MET 64 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.66 2kys n MET 64 Cb 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 33.22 32.66 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 -0.60 0.00 -2.61 3.17 10.64 -0.71 -5.06 117.38 122.21 2kys n GLN 65 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 2kys n GLN 65 Cb 0.01 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.43 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 -0.53 -0.24 3.36 2.61 0.00 0.06 -4.95 105.19 105.50 2kys n GLY 66 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.60 -3.59 -0.05 4.61 0.00 -1.26 -5.04 120.51 112.58 2kys n ALA 67 Ca -0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 53.44 52.01 2kys n ALA 67 Cb 0.58 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 -4.87 1.12 0.23 0.00 0.24 -1.26 -4.77 118.33 109.02 2kys n VAL 68 Ca 0.02 0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2kys n VAL 68 Cb 0.57 -2.00 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 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 -3.85 0.13 0.22 -1.34 8.00 -1.26 -4.31 116.55 114.13 2kys n ASP 69 Ca -0.08 -0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.11 2kys n ASP 69 Cb 0.31 -0.06 0.50 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.06 0.00 0.53 6.09 -1.93 -1.50 117.51 121.76 2kys h ILE 70 Ca 0.00 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 2kys h ILE 70 Cb 0.06 1.46 0.00 0.00 0.47 0.00 0.00 36.82 38.81 2kys h ILE 70 CO 0.00 0.23 0.00 0.78 -3.07 0.00 0.00 178.15 176.09 2kys h ASN 71 N 0.00 0.00 -0.04 2.19 -0.26 -1.94 -3.37 115.58 112.15 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 0.44 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 2kys h ASN 71 CO 0.03 0.00 -0.01 0.03 -1.06 0.00 0.00 177.43 176.42 2kys h ARG 72 N 0.00 0.08 0.00 0.81 -0.00 -1.59 -1.68 114.38 112.00 2kys h ARG 72 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 2kys h ARG 72 Cb 0.74 -0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.71 2kys h ARG 72 CO 0.00 0.43 -0.03 1.37 0.00 0.00 0.00 179.97 181.74 2kys h LEU 73 N -0.28 0.00 0.22 3.04 -0.00 -1.72 -2.42 115.31 114.15 2kys h LEU 73 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2kys h LEU 73 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2kys h LEU 73 CO 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 178.44 178.37 2kys h GLU 75 N -0.73 0.00 0.01 0.00 5.08 -1.00 0.16 114.58 118.10 2kys h GLU 75 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kys h GLU 75 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kys h GLU 75 CO 0.05 0.00 -0.00 1.49 -1.00 0.00 0.00 179.01 179.55 2kys h GLU 76 N 0.00 -0.01 0.00 2.33 4.81 -1.40 -3.34 114.58 116.98 2kys h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kys h GLU 76 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kys h GLU 76 CO 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2kys h MET 77 N -0.02 0.00 0.45 1.92 -0.00 -0.46 -0.18 114.93 116.65 2kys h MET 77 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2kys h MET 77 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2kys h MET 77 CO 0.00 0.00 -0.22 1.25 -0.00 0.00 0.00 176.91 177.94 2kys h LEU 78 N 0.00 -0.52 -1.31 -0.10 6.46 -0.93 -3.25 115.31 115.66 2kys h LEU 78 Ca 0.00 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2kys h LEU 78 Cb 0.46 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2kys h LEU 78 CO 0.00 -0.15 0.47 0.44 -0.62 0.00 0.00 178.44 178.58 2kys h ASP 79 N -0.93 0.80 0.57 1.25 5.19 -1.44 -1.54 116.42 120.32 2kys h ASP 79 Ca -0.06 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2kys h ASP 79 Cb 0.58 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2kys h ASP 79 CO 0.10 0.58 0.00 0.59 -3.12 0.00 0.00 179.24 177.39 2kys n ASN 80 N -4.43 0.33 -0.15 6.45 3.02 -0.17 -0.53 115.26 119.78 2kys n ASN 80 Ca 0.08 0.58 0.06 0.00 -0.03 0.00 0.00 54.58 55.27 2kys n ASN 80 Cb 0.04 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.52 2kys n ASN 80 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kys n ARG 81 N -1.86 2.43 0.05 3.52 -4.01 -0.62 -4.35 116.66 111.82 2kys n ARG 81 Ca 0.03 -0.35 0.11 0.00 -1.04 0.00 0.00 57.85 56.60 2kys n ARG 81 Cb 0.19 -1.13 -0.02 0.00 -3.04 0.00 0.00 32.46 28.46 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kys n ALA 82 N -0.74 2.93 1.01 2.89 0.00 -0.48 -4.57 120.51 121.55 2kys n ALA 82 Ca 0.04 -0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.25 2kys n ALA 82 Cb 0.23 -0.98 0.44 0.00 0.00 0.00 0.00 19.45 19.13 2kys n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kys n THR 83 N -2.30 0.00 1.39 0.00 5.66 0.30 -2.83 114.28 116.51 2kys n THR 83 Ca -0.00 -0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 2kys n THR 83 Cb 0.51 -0.12 0.47 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.48 1.52 0.00 1.09 4.32 -1.26 -5.11 117.00 116.08 2kys n LEU 84 Ca 0.06 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.48 2kys n LEU 84 Cb 0.34 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2kys n LEU 84 CO 0.31 0.28 0.04 0.00 -1.22 0.00 0.00 177.39 176.81