#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 -0.95 -3.76 1.61 -0.00 -1.26 -4.74 115.22 106.13 2kys n HIS 2 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 2kys n HIS 2 Cb 0.00 0.13 -0.18 0.00 -0.00 0.00 0.00 29.99 29.95 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 -4.00 1.27 0.00 4.39 0.01 -1.26 -4.97 113.70 109.14 2kys s SER 3 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2kys s SER 3 Cb 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2kys s SER 3 CO 0.00 -0.20 0.00 1.17 0.41 0.00 0.00 173.24 174.62 2kys n LYS 4 N 5.06 0.00 0.00 12.44 4.81 -1.26 -4.69 118.16 134.52 2kys n LYS 4 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2kys n LYS 4 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kys n MET 5 N 0.00 0.00 -2.67 1.64 0.00 -1.26 -5.08 117.12 109.74 2kys n MET 5 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 2kys n MET 5 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 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 2.09 -3.40 3.17 7.64 -1.26 -4.95 113.62 116.90 2kys n SER 6 Ca 0.00 -2.54 -0.25 0.00 1.01 0.00 0.00 58.87 57.09 2kys n SER 6 Cb 0.00 -0.48 0.04 0.00 -1.01 0.00 0.00 64.21 62.76 2kys n SER 6 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kys n ASP 7 N -0.43 -5.53 -4.58 6.43 9.92 -1.26 -4.84 116.55 116.27 2kys n ASP 7 Ca 0.14 -0.47 -0.39 0.00 -0.53 0.00 0.00 54.79 53.54 2kys n ASP 7 Cb 0.81 -4.43 -0.02 0.00 -0.64 0.00 0.00 41.12 36.84 2kys n ASP 7 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kys s VAL 8 N -3.20 3.96 -1.63 2.53 1.01 -1.26 -4.54 120.40 117.28 2kys s VAL 8 Ca 0.47 -1.55 0.13 0.00 0.00 0.00 0.00 61.98 61.03 2kys s VAL 8 Cb -0.22 -5.02 0.14 0.00 0.00 0.00 0.00 36.38 31.28 2kys s VAL 8 CO 0.57 -1.76 0.97 2.29 0.00 0.00 0.00 175.10 177.18 2kys n LYS 9 N 8.43 1.12 -1.38 2.72 0.00 -1.26 -5.01 118.16 122.78 2kys n LYS 9 Ca 0.46 -1.41 -0.14 0.00 -0.00 0.00 0.00 58.31 57.22 2kys n LYS 9 Cb 0.47 -1.27 -0.06 0.00 -0.00 0.00 0.00 35.03 34.17 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys n THR 11 N -2.19 0.00 -3.96 0.00 5.66 -1.26 -4.53 114.28 107.99 2kys n THR 11 Ca -0.14 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.75 2kys n THR 11 Cb 0.60 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.25 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 -4.00 0.25 0.57 1.09 0.01 -1.26 -5.05 113.70 105.31 2kys s SER 12 Ca 0.00 -0.22 0.38 0.00 1.31 0.00 0.00 55.95 57.42 2kys s SER 12 Cb 0.00 0.02 1.91 0.00 0.21 0.00 0.00 66.02 68.17 2kys s SER 12 CO 0.00 -0.10 2.14 -0.37 0.41 0.00 0.00 173.24 175.32 2kys h VAL 13 N 4.92 0.00 -0.89 3.43 -1.51 -2.00 -2.79 116.25 117.41 2kys h VAL 13 Ca -0.28 -0.15 0.20 0.00 -1.23 0.00 0.00 66.70 65.24 2kys h VAL 13 Cb 1.21 1.07 -0.06 0.00 -2.13 0.00 0.00 31.29 31.37 2kys h VAL 13 CO 0.47 0.00 0.59 1.62 -1.23 0.00 0.00 177.57 179.02 2kys h VAL 14 N 0.00 0.67 0.23 7.19 3.04 -1.96 0.23 116.25 125.66 2kys h VAL 14 Ca 0.00 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.55 2kys h VAL 14 Cb 0.16 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 2kys h VAL 14 CO 0.00 0.07 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.45 2kys h LEU 15 N 0.37 -0.27 -0.87 3.16 3.38 -1.85 -3.38 115.31 115.85 2kys h LEU 15 Ca 0.46 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2kys h LEU 15 Cb 1.19 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2kys h LEU 15 CO -0.16 0.22 -0.05 -0.07 0.09 0.00 0.00 178.44 178.48 2kys h LEU 16 N -0.87 0.77 -1.08 1.67 3.38 -0.99 -2.59 115.31 115.60 2kys h LEU 16 Ca -0.03 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2kys h LEU 16 Cb 0.51 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 2kys h LEU 16 CO 0.05 0.86 0.62 0.77 0.09 0.00 0.00 178.44 180.83 2kys h SER 17 N 0.73 0.87 0.50 -0.43 4.64 -0.84 -0.23 113.55 118.79 2kys h SER 17 Ca 0.13 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 2kys h SER 17 Cb 0.51 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2kys h SER 17 CO 0.03 0.46 -0.61 0.58 -0.87 0.00 0.00 176.83 176.41 2kys h VAL 18 N 0.93 1.42 0.04 0.95 2.07 -1.63 -1.04 116.25 118.99 2kys h VAL 18 Ca 0.48 -2.06 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 2kys h VAL 18 Cb 0.54 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2kys h VAL 18 CO -0.25 0.60 -0.54 -0.07 0.02 0.00 0.00 177.57 177.33 2kys h LEU 19 N 0.08 0.13 -1.38 2.57 -0.00 -1.35 -3.32 115.31 112.04 2kys h LEU 19 Ca -0.01 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 2kys h LEU 19 Cb 1.10 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2kys h LEU 19 CO 0.09 1.23 0.00 0.06 -0.00 0.00 0.00 178.44 179.82 2kys h GLN 20 N -0.80 0.00 0.00 1.13 3.07 -1.13 -2.50 115.11 114.88 2kys h GLN 20 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2kys h GLN 20 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2kys h GLN 20 CO -0.00 0.00 0.00 1.96 0.09 0.00 0.00 178.83 180.88 2kys h GLN 21 N 0.00 0.00 0.00 0.06 4.20 -1.28 -3.38 115.11 114.71 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 -2.38 0.00 -0.16 1.46 7.99 -0.94 -5.06 117.00 117.90 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 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 2kys n LEU 22 CO 0.12 0.00 0.08 -2.11 -1.51 0.00 0.00 177.39 173.97 2kys n ARG 23 N -0.44 0.00 -0.76 3.23 0.00 -1.21 -5.16 116.66 112.32 2kys n ARG 23 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2kys n ARG 23 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 32.46 32.60 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 0.00 -4.06 8.89 3.14 -1.23 -5.01 118.33 120.06 2kys n VAL 24 Ca 0.00 -0.22 -0.32 0.00 -2.96 0.00 0.00 64.34 60.84 2kys n VAL 24 Cb 0.18 -0.63 -0.16 0.00 -1.06 0.00 0.00 33.84 32.18 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 -3.62 2.49 0.00 1.45 2.02 -1.26 -4.97 118.70 114.81 2kys s GLU 25 Ca 0.57 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2kys s GLU 25 Cb -0.19 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2kys s GLU 25 CO 0.67 -0.33 0.50 -1.13 0.02 0.00 0.00 175.26 174.99 2kys n SER 26 N 4.63 1.49 -0.02 -0.19 3.41 -1.26 -2.26 113.62 119.41 2kys n SER 26 Ca -0.17 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2kys n SER 26 Cb 0.48 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2kys n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2kys n SER 27 N 0.82 0.00 -4.05 4.04 2.88 -1.26 -5.10 113.62 110.95 2kys n SER 27 Ca 0.00 -1.04 -0.16 0.00 -1.33 0.00 0.00 58.87 56.34 2kys n SER 27 Cb 0.24 -0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.56 2kys n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kys s SER 28 N -0.04 1.03 0.54 -3.46 0.01 -0.96 -5.02 113.70 105.80 2kys s SER 28 Ca 0.00 -0.36 0.36 0.00 1.31 0.00 0.00 55.95 57.25 2kys s SER 28 Cb 0.00 -0.05 1.54 0.00 0.21 0.00 0.00 66.02 67.72 2kys s SER 28 CO 0.00 -0.04 1.82 0.07 0.41 0.00 0.00 173.24 175.50 2kys h LYS 29 N 5.16 0.00 -0.25 12.44 -0.00 -1.99 -2.53 116.57 129.41 2kys h LYS 29 Ca -0.34 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.37 2kys h LYS 29 Cb 1.19 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.36 2kys h LYS 29 CO 0.45 0.00 -0.13 1.25 -0.00 0.00 0.00 179.45 181.02 2kys h LEU 30 N 0.00 -0.44 -0.51 7.07 7.12 -1.96 0.20 115.31 126.80 2kys h LEU 30 Ca 0.54 0.10 0.10 0.00 0.13 0.00 0.00 57.88 58.75 2kys h LEU 30 Cb 2.17 0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 42.44 2kys h LEU 30 CO -0.01 -0.17 -0.13 -0.25 -0.13 0.00 0.00 178.44 177.76 2kys h TRP 31 N -0.11 -0.28 -0.31 1.25 7.01 -1.62 -2.43 115.95 119.46 2kys h TRP 31 Ca 0.13 0.05 -0.15 0.00 2.11 0.00 0.00 58.89 61.03 2kys h TRP 31 Cb 0.31 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 2kys h TRP 31 CO -0.31 -0.22 -0.40 0.00 -2.79 0.00 0.00 178.44 174.72 2kys h ALA 32 N 1.50 0.71 -1.03 2.65 0.00 -1.50 -3.23 119.26 118.37 2kys h ALA 32 Ca 0.25 -0.45 0.29 0.00 0.00 0.00 0.00 54.91 54.99 2kys h ALA 32 Cb 0.38 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 2kys h ALA 32 CO -0.53 0.66 0.61 1.96 0.00 0.00 0.00 179.25 181.96 2kys h GLN 33 N 0.62 0.42 0.00 0.00 1.08 -0.11 0.15 115.11 117.27 2kys h GLN 33 Ca 0.05 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kys h GLN 33 Cb 0.95 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2kys h GLN 33 CO 0.09 0.28 -0.04 0.00 -0.95 0.00 0.00 178.83 178.20 2kys h VAL 35 N -0.76 1.20 -0.60 0.00 2.07 -1.23 -0.50 116.25 116.43 2kys h VAL 35 Ca -0.01 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2kys h VAL 35 Cb 0.85 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2kys h VAL 35 CO 0.01 0.18 0.34 0.06 0.02 0.00 0.00 177.57 178.18 2kys h GLN 36 N -0.35 0.84 -0.18 1.57 -0.00 -1.22 -2.67 115.11 113.09 2kys h GLN 36 Ca -0.00 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 2kys h GLN 36 Cb 0.33 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 2kys h GLN 36 CO 0.01 0.62 -0.19 1.25 -0.00 0.00 0.00 178.83 180.52 2kys h LEU 37 N 0.82 0.31 0.00 0.06 6.46 -1.50 -1.30 115.31 120.16 2kys h LEU 37 Ca 0.21 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2kys h LEU 37 Cb 0.02 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2kys h LEU 37 CO -0.04 0.52 -0.13 -0.74 -0.62 0.00 0.00 178.44 177.43 2kys h HIS 38 N 0.29 -0.34 -0.12 1.25 2.76 -0.74 -1.30 115.15 116.95 2kys h HIS 38 Ca 0.05 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 2kys h HIS 38 Cb 0.51 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2kys h HIS 38 CO 0.01 -0.20 -0.36 -2.95 -1.30 0.00 0.00 177.93 173.13 2kys h ASN 39 N -0.22 0.25 0.29 3.26 7.08 -1.38 -2.09 115.58 122.77 2kys h ASN 39 Ca 0.05 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 2kys h ASN 39 Cb 0.28 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.45 2kys h ASN 39 CO -0.13 0.60 0.00 0.47 -2.08 0.00 0.00 177.43 176.29 2kys n ASP 40 N -4.07 0.00 0.12 6.14 8.00 -0.51 -1.06 116.55 125.17 2kys n ASP 40 Ca -0.01 0.27 -0.05 0.00 0.71 0.00 0.00 54.79 55.70 2kys n ASP 40 Cb 0.44 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.00 0.00 0.53 1.08 -0.53 -2.79 117.51 115.81 2kys h ILE 41 Ca 0.00 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2kys h ILE 41 Cb 0.14 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.89 2kys h ILE 41 CO 0.00 0.00 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.31 2kys h LEU 42 N -0.76 0.00 -3.23 1.44 3.38 -1.46 -2.02 115.31 112.66 2kys h LEU 42 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kys h LEU 42 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kys h LEU 42 CO 0.06 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.85 2kys n LEU 43 N -3.29 4.26 0.00 1.67 4.32 -0.23 -5.02 117.00 118.71 2kys n LEU 43 Ca -0.01 -2.71 -0.21 0.00 -0.02 0.00 0.00 56.01 53.06 2kys n LEU 43 Cb 0.28 -0.53 0.17 0.00 -1.62 0.00 0.00 43.42 41.72 2kys n LEU 43 CO 0.28 0.71 0.43 0.00 -1.22 0.00 0.00 177.39 177.58 2kys n ALA 44 N 0.21 -2.35 0.01 -1.18 0.00 -0.76 -4.90 120.51 111.53 2kys n ALA 44 Ca 0.22 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 2kys n ALA 44 Cb 0.87 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 20.15 2kys n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kys h LYS 45 N 0.00 -0.07 -4.15 0.00 1.79 -1.88 -3.49 116.57 108.77 2kys h LYS 45 Ca -0.29 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.99 2kys h LYS 45 Cb 0.87 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.43 2kys h LYS 45 CO 0.19 0.44 -0.32 -0.51 -1.08 0.00 0.00 179.45 178.17 2kys s ASP 46 N -5.65 0.39 0.11 0.86 1.01 -1.26 -5.08 116.67 107.04 2kys s ASP 46 Ca -0.15 -1.28 -0.29 0.00 0.71 0.00 0.00 52.55 51.53 2kys s ASP 46 Cb 0.01 0.54 -0.10 0.00 1.01 0.00 0.00 42.92 44.38 2kys s ASP 46 CO 0.63 -1.09 1.62 0.74 0.21 0.00 0.00 175.17 177.28 2kys h THR 47 N 2.31 0.34 -0.14 -1.27 2.02 -1.97 -2.68 112.91 111.52 2kys h THR 47 Ca -0.30 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2kys h THR 47 Cb 1.25 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2kys h THR 47 CO 0.42 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 176.22 2kys h THR 48 N -0.59 1.33 0.00 3.16 1.03 -2.01 -2.86 112.91 112.97 2kys h THR 48 Ca 0.01 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 2kys h THR 48 Cb 0.58 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 2kys h THR 48 CO -0.13 0.34 0.00 1.21 -0.01 0.00 0.00 175.52 176.93 2kys n GLU 49 N -4.63 0.96 -0.01 0.00 4.07 -1.24 -1.22 120.64 118.58 2kys n GLU 49 Ca -0.06 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.03 2kys n GLU 49 Cb 0.31 -1.31 -0.00 0.00 -0.06 0.00 0.00 31.44 30.38 2kys n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kys h ALA 50 N 3.54 -0.08 0.00 4.31 0.00 -1.24 -3.38 119.26 122.42 2kys h ALA 50 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2kys h ALA 50 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kys h ALA 50 CO 0.00 -0.07 -0.35 0.27 0.00 0.00 0.00 179.25 179.10 2kys h PHE 51 N -0.65 0.00 0.00 0.00 -0.00 -1.42 -1.66 116.94 113.20 2kys h PHE 51 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 2kys h PHE 51 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.99 2kys h PHE 51 CO 0.01 0.35 0.00 0.39 -0.00 0.00 0.00 178.31 179.05 2kys n GLU 52 N -3.70 0.02 0.11 6.09 -0.58 -0.36 -0.72 120.64 121.49 2kys n GLU 52 Ca -0.01 0.35 -0.23 0.00 -0.42 0.00 0.00 57.16 56.85 2kys n GLU 52 Cb 0.44 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.67 2kys n GLU 52 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2kys h LYS 53 N 0.00 0.60 -0.36 3.49 1.57 -1.47 -3.39 116.57 117.01 2kys h LYS 53 Ca 0.00 -0.86 -0.14 0.00 -1.87 0.00 0.00 60.65 57.78 2kys h LYS 53 Cb 0.12 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kys h LYS 53 CO 0.00 1.40 -0.35 0.00 -0.57 0.00 0.00 179.45 179.93 2kys h MET 54 N 0.22 0.82 0.00 3.15 -0.00 -1.02 -2.86 114.93 115.24 2kys h MET 54 Ca -0.21 -0.41 0.00 0.00 -0.00 0.00 0.00 59.70 59.08 2kys h MET 54 Cb 1.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.58 2kys h MET 54 CO 0.25 1.04 0.05 -0.39 -0.00 0.00 0.00 176.91 177.86 2kys h VAL 55 N 0.68 0.00 0.02 -0.10 -1.51 -1.72 -0.79 116.25 112.83 2kys h VAL 55 Ca 0.07 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.38 2kys h VAL 55 Cb 0.91 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 2kys h VAL 55 CO 0.08 0.00 -0.81 0.28 -1.23 0.00 0.00 177.57 175.90 2kys h SER 56 N 0.00 0.07 -0.52 4.19 0.02 -1.69 -3.40 113.55 112.21 2kys h SER 56 Ca 0.00 -0.75 -0.02 0.00 -0.84 0.00 0.00 61.79 60.18 2kys h SER 56 Cb 0.11 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2kys h SER 56 CO 0.00 1.33 0.25 0.17 -1.14 0.00 0.00 176.83 177.44 2kys h LEU 57 N -0.88 0.69 -0.74 5.07 8.10 -1.14 -2.84 115.31 123.57 2kys h LEU 57 Ca -0.21 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.65 2kys h LEU 57 Cb 1.27 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 2kys h LEU 57 CO -0.09 0.62 0.00 0.00 -4.11 0.00 0.00 178.44 174.87 2kys n LEU 58 N -4.59 0.29 -0.13 0.17 -0.00 -1.01 -1.47 117.00 110.26 2kys n LEU 58 Ca 0.02 0.64 -0.28 0.00 -0.00 0.00 0.00 56.01 56.39 2kys n LEU 58 Cb 0.12 -0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 42.77 2kys n LEU 58 CO 0.37 -0.73 -1.29 -0.24 -0.00 0.00 0.00 177.39 175.51 2kys n SER 59 N -1.89 1.94 -0.33 1.45 2.88 -1.08 -3.73 113.62 112.86 2kys n SER 59 Ca -0.01 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2kys n SER 59 Cb 0.02 -0.84 0.13 0.00 -0.75 0.00 0.00 64.21 62.78 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 -1.00 1.10 0.73 2.46 3.04 -1.28 0.90 116.25 122.20 2kys h VAL 60 Ca -0.63 -0.37 -0.04 0.00 -1.01 0.00 0.00 66.70 64.66 2kys h VAL 60 Cb 1.54 -0.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2kys h VAL 60 CO -0.38 0.20 -0.35 -0.07 -1.01 0.00 0.00 177.57 175.96 2kys h LEU 61 N 1.08 -0.83 -2.14 3.16 -0.00 -1.47 -3.04 115.31 112.07 2kys h LEU 61 Ca 0.37 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.25 2kys h LEU 61 Cb 0.09 0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2kys h LEU 61 CO -0.15 -0.52 -0.03 -0.07 -0.00 0.00 0.00 178.44 177.68 2kys h LEU 62 N -1.11 0.00 -0.05 1.67 4.07 -1.57 0.15 115.31 118.47 2kys h LEU 62 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2kys h LEU 62 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2kys h LEU 62 CO 0.16 0.03 -0.00 -0.24 -1.08 0.00 0.00 178.44 177.31 2kys n SER 63 N -3.24 0.08 0.00 -0.43 2.88 0.28 -1.98 113.62 111.21 2kys n SER 63 Ca -0.01 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 2kys n SER 63 Cb 0.20 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.02 5.79 0.00 -1.46 0.00 0.44 -4.94 117.12 115.92 2kys n MET 64 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.89 2kys n MET 64 Cb 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 33.22 32.91 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 -0.83 0.00 -2.67 3.17 10.64 -0.67 -5.09 117.38 121.93 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 0.00 -0.23 0.03 0.00 -0.86 0.00 0.00 30.24 29.19 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 -0.05 -0.68 3.79 2.61 0.00 -0.84 -5.01 105.19 105.01 2kys n GLY 66 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.18 1.90 -0.13 4.61 0.00 -1.26 -5.04 121.76 118.66 2kys s ALA 67 Ca 0.21 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 2kys s ALA 67 Cb -0.03 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2kys s ALA 67 CO 0.52 -2.15 -0.28 1.33 0.00 0.00 0.00 175.76 175.18 2kys n VAL 68 N -3.68 1.42 0.70 0.00 0.24 -1.26 -4.76 118.33 111.00 2kys n VAL 68 Ca 0.07 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2kys n VAL 68 Cb 0.59 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.80 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 -4.24 1.25 0.26 -1.34 8.00 -1.26 -4.24 116.55 114.98 2kys n ASP 69 Ca -0.14 -1.40 0.11 0.00 0.71 0.00 0.00 54.79 54.06 2kys n ASP 69 Cb 0.45 -0.35 0.68 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.12 0.76 -0.00 0.53 6.09 -1.94 -1.82 117.51 121.25 2kys h ILE 70 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 2kys h ILE 70 Cb 0.49 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.05 2kys h ILE 70 CO 0.00 0.11 -0.07 0.59 -3.07 0.00 0.00 178.15 175.72 2kys n ASN 71 N -3.93 0.21 0.08 2.19 5.03 -1.26 -4.16 115.26 113.42 2kys n ASN 71 Ca -0.02 -0.29 -0.06 0.00 0.87 0.00 0.00 54.58 55.09 2kys n ASN 71 Cb 0.21 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 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 0.23 -0.29 -0.13 3.52 -0.00 -1.67 -3.28 114.38 112.76 2kys h ARG 72 Ca 0.00 0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.54 2kys h ARG 72 Cb 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.37 2kys h ARG 72 CO 0.00 -0.15 0.39 1.37 0.00 0.00 0.00 179.97 181.59 2kys h LEU 73 N -1.07 0.00 -0.20 3.04 -0.00 -1.73 0.18 115.31 115.53 2kys h LEU 73 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 73 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 2kys h LEU 73 CO 0.05 0.00 0.08 0.00 -0.00 0.00 0.00 178.44 178.57 2kys h GLU 75 N 0.17 0.00 0.00 0.00 5.08 -0.72 0.79 114.58 119.90 2kys h GLU 75 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2kys h GLU 75 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kys h GLU 75 CO -0.00 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.66 2kys n GLU 76 N -3.81 0.00 0.11 2.33 4.71 -1.16 -3.61 120.64 119.22 2kys n GLU 76 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.17 2kys n GLU 76 Cb 0.36 -0.65 0.44 0.00 -1.01 0.00 0.00 31.44 30.58 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kys h MET 77 N 0.00 0.28 -0.04 3.49 -0.00 -0.85 0.11 114.93 117.92 2kys h MET 77 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2kys h MET 77 Cb 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 31.55 2kys h MET 77 CO 0.00 0.30 -0.05 1.25 -0.00 0.00 0.00 176.91 178.41 2kys h LEU 78 N 0.27 0.11 -0.85 -0.10 6.46 -1.06 -2.66 115.31 117.49 2kys h LEU 78 Ca 0.06 -0.53 -0.12 0.00 -0.12 0.00 0.00 57.88 57.17 2kys h LEU 78 Cb 0.19 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2kys h LEU 78 CO 0.00 0.62 -0.50 -0.78 -0.62 0.00 0.00 178.44 177.16 2kys h ASP 79 N -0.40 0.18 0.86 1.25 3.58 -1.48 -1.91 116.42 118.51 2kys h ASP 79 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kys h ASP 79 Cb 0.60 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2kys h ASP 79 CO 0.01 0.66 0.00 0.78 -2.88 0.00 0.00 179.24 177.81 2kys h ASN 80 N 0.14 0.00 0.27 2.28 2.35 -0.97 0.11 115.58 119.75 2kys h ASN 80 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 2kys h ASN 80 Cb 0.94 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2kys h ASN 80 CO 0.07 0.00 -1.83 0.08 -1.65 0.00 0.00 177.43 174.11 2kys h ARG 81 N 0.00 0.22 0.00 0.81 0.11 -1.18 -3.40 114.38 110.94 2kys h ARG 81 Ca 0.00 -0.38 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 2kys h ARG 81 Cb 0.43 0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2kys h ARG 81 CO 0.00 1.06 -0.06 0.00 0.10 0.00 0.00 179.97 181.06 2kys h ALA 82 N 0.35 1.08 0.00 0.08 0.00 -0.44 -2.79 119.26 117.54 2kys h ALA 82 Ca -0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kys h ALA 82 Cb 2.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2kys h ALA 82 CO 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 2kys h THR 83 N 0.00 0.58 -0.04 0.00 1.03 -1.05 -2.00 112.91 111.44 2kys h THR 83 Ca -0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2kys h THR 83 Cb 0.40 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2kys h THR 83 CO 0.01 0.03 0.00 0.18 -0.01 0.00 0.00 175.52 175.73 2kys n LEU 84 N -3.86 1.87 0.00 0.00 4.77 -1.05 -5.14 117.00 113.58 2kys n LEU 84 Ca -0.03 -0.64 0.11 0.00 -0.03 0.00 0.00 56.01 55.42 2kys n LEU 84 Cb 0.12 -0.02 0.67 0.00 -2.33 0.00 0.00 43.42 41.87 2kys n LEU 84 CO 0.29 0.32 0.86 0.00 -1.33 0.00 0.00 177.39 177.53