#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 -0.17 0.41 1.61 5.65 -1.26 -5.15 115.29 116.38 2kys s HIS 2 Ca 0.00 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.15 2kys s HIS 2 Cb 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 32.58 31.64 2kys s HIS 2 CO 0.00 -0.69 0.00 0.43 -0.65 0.00 0.00 174.74 173.83 2kys n SER 3 N -0.21 -5.20 -4.04 9.88 7.64 -1.26 -5.07 113.62 115.36 2kys n SER 3 Ca -0.16 0.96 -0.12 0.00 1.01 0.00 0.00 58.87 60.57 2kys n SER 3 Cb 0.64 -3.29 -0.11 0.00 -1.01 0.00 0.00 64.21 60.44 2kys n SER 3 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kys s LYS 4 N -3.84 0.48 0.24 1.43 -0.14 -1.26 -5.12 119.74 111.53 2kys s LYS 4 Ca 0.00 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 2kys s LYS 4 Cb 0.00 -0.16 -0.10 0.00 -1.68 0.00 0.00 37.83 35.89 2kys s LYS 4 CO 0.00 0.02 1.37 0.00 -0.76 0.00 0.00 175.35 175.97 2kys s MET 5 N -1.65 4.33 1.11 1.68 0.23 -1.26 -5.05 119.30 118.69 2kys s MET 5 Ca -0.11 2.19 -0.19 0.00 -1.03 0.00 0.00 55.69 56.55 2kys s MET 5 Cb -0.09 -3.14 0.27 0.00 -1.53 0.00 0.00 34.83 30.34 2kys s MET 5 CO -0.00 -0.31 1.08 0.43 -2.03 0.00 0.00 175.02 174.18 2kys n SER 6 N 2.24 -1.58 -4.46 -1.18 7.64 -1.26 -4.95 113.62 110.07 2kys n SER 6 Ca 0.06 -1.20 -0.43 0.00 1.01 0.00 0.00 58.87 58.30 2kys n SER 6 Cb 0.41 -0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2kys n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kys s ASP 7 N -4.56 6.53 -0.36 6.43 -1.08 -1.26 -4.86 116.67 117.51 2kys s ASP 7 Ca 0.68 -1.80 0.05 0.00 -0.52 0.00 0.00 52.55 50.96 2kys s ASP 7 Cb -0.06 -2.42 0.46 0.00 -1.46 0.00 0.00 42.92 39.45 2kys s ASP 7 CO 0.51 -1.17 1.37 1.33 0.52 0.00 0.00 175.17 177.73 2kys n VAL 8 N 5.71 2.75 0.47 1.11 0.24 -1.26 -3.89 118.33 123.46 2kys n VAL 8 Ca 0.20 -3.87 0.08 0.00 -2.04 0.00 0.00 64.34 58.70 2kys n VAL 8 Cb 0.49 -1.09 0.10 0.00 -1.47 0.00 0.00 33.84 31.87 2kys n VAL 8 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2kys n LYS 9 N -0.78 1.53 -0.98 7.34 2.85 -1.26 -5.00 118.16 121.87 2kys n LYS 9 Ca 0.47 -1.62 0.09 0.00 -1.05 0.00 0.00 58.31 56.20 2kys n LYS 9 Cb 0.90 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.91 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys n THR 11 N -3.23 0.00 -2.47 0.00 5.66 -1.26 -5.09 114.28 107.89 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 0.42 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 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 1.56 7.14 0.59 1.09 0.01 -1.26 -4.92 113.70 117.91 2kys s SER 12 Ca 0.00 1.98 0.39 0.00 1.31 0.00 0.00 55.95 59.62 2kys s SER 12 Cb 0.00 -2.58 1.91 0.00 0.21 0.00 0.00 66.02 65.56 2kys s SER 12 CO 0.00 -0.41 2.16 -0.37 0.41 0.00 0.00 173.24 175.03 2kys h VAL 13 N 4.46 0.00 -0.81 3.43 -1.51 -2.00 -3.26 116.25 116.56 2kys h VAL 13 Ca -0.42 -0.21 0.19 0.00 -1.23 0.00 0.00 66.70 65.04 2kys h VAL 13 Cb 1.21 1.17 -0.14 0.00 -2.13 0.00 0.00 31.29 31.40 2kys h VAL 13 CO 0.79 0.00 -0.01 0.58 -1.23 0.00 0.00 177.57 177.71 2kys h VAL 14 N 0.00 0.27 -0.00 7.19 2.07 -2.00 0.76 116.25 124.54 2kys h VAL 14 Ca 0.00 -0.03 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 2kys h VAL 14 Cb 0.21 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2kys h VAL 14 CO 0.00 0.01 -1.00 0.17 0.02 0.00 0.00 177.57 176.78 2kys h LEU 15 N 0.08 0.88 -0.63 2.57 -0.00 -1.95 -3.24 115.31 113.03 2kys h LEU 15 Ca 0.45 -0.74 -0.14 0.00 -0.00 0.00 0.00 57.88 57.45 2kys h LEU 15 Cb 0.81 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2kys h LEU 15 CO -0.73 1.51 -0.41 -0.07 -0.00 0.00 0.00 178.44 178.74 2kys h LEU 16 N 0.36 0.65 -1.00 0.17 -0.00 -1.36 -3.10 115.31 111.03 2kys h LEU 16 Ca -0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2kys h LEU 16 Cb 1.66 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 42.08 2kys h LEU 16 CO 0.20 0.99 0.63 -1.28 -0.00 0.00 0.00 178.44 178.97 2kys h SER 17 N 0.50 1.14 -0.93 -0.43 0.87 -0.97 -1.58 113.55 112.16 2kys h SER 17 Ca 0.04 -0.04 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 2kys h SER 17 Cb 0.93 -0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 62.52 2kys h SER 17 CO 0.08 0.84 0.60 0.58 -0.53 0.00 0.00 176.83 178.41 2kys h VAL 18 N 1.34 0.71 0.03 2.23 2.07 -1.57 -1.35 116.25 119.71 2kys h VAL 18 Ca 0.36 -0.19 -0.18 0.00 0.82 0.00 0.00 66.70 67.51 2kys h VAL 18 Cb -0.12 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2kys h VAL 18 CO -0.07 0.10 -0.95 -0.07 0.02 0.00 0.00 177.57 176.59 2kys h LEU 19 N 0.55 0.09 -0.07 2.57 3.38 -1.42 -3.34 115.31 117.06 2kys h LEU 19 Ca 0.49 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kys h LEU 19 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kys h LEU 19 CO -0.23 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.69 2kys n GLN 20 N -4.36 0.05 0.30 1.13 10.64 -0.86 -1.19 117.38 123.09 2kys n GLN 20 Ca -0.24 0.16 0.17 0.00 -1.83 0.00 0.00 57.00 55.25 2kys n GLN 20 Cb 0.68 -1.58 0.93 0.00 -0.86 0.00 0.00 30.24 29.41 2kys n GLN 20 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2kys h GLN 21 N 0.00 0.00 0.00 2.61 4.15 -1.37 -3.38 115.11 117.12 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 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2kys h GLN 21 CO 0.00 0.04 0.00 1.28 -1.93 0.00 0.00 178.83 178.22 2kys n LEU 22 N -3.51 0.00 0.00 -2.39 7.99 -0.33 -5.08 117.00 113.68 2kys n LEU 22 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2kys n LEU 22 Cb 0.15 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 2kys n LEU 22 CO 0.26 -0.33 0.00 -2.11 -1.51 0.00 0.00 177.39 173.70 2kys n ARG 23 N -2.15 0.00 -1.55 3.23 0.00 -1.05 -5.15 116.66 109.99 2kys n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kys n ARG 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 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 -0.88 -0.68 -3.07 8.89 3.14 -1.25 -4.86 118.33 119.61 2kys n VAL 24 Ca 0.00 0.29 -0.44 0.00 -2.96 0.00 0.00 64.34 61.22 2kys n VAL 24 Cb 0.00 -0.42 -0.05 0.00 -1.06 0.00 0.00 33.84 32.31 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 -1.01 3.06 0.33 1.45 2.02 -1.26 -4.86 118.70 118.44 2kys s GLU 25 Ca 0.00 -1.20 0.05 0.00 0.02 0.00 0.00 54.97 53.84 2kys s GLU 25 Cb 0.00 -4.25 0.69 0.00 0.10 0.00 0.00 34.13 30.67 2kys s GLU 25 CO 0.00 -1.56 1.89 0.66 0.02 0.00 0.00 175.26 176.27 2kys h SER 26 N 9.23 0.76 0.00 -0.19 4.64 -1.99 -2.36 113.55 123.64 2kys h SER 26 Ca -0.29 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 2kys h SER 26 Cb 1.08 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 2kys h SER 26 CO 1.10 0.44 -0.25 -1.20 -0.87 0.00 0.00 176.83 176.05 2kys n SER 27 N -4.53 5.24 -3.61 4.97 7.64 -1.26 -4.74 113.62 117.33 2kys n SER 27 Ca 0.15 -2.45 -0.11 0.00 1.01 0.00 0.00 58.87 57.48 2kys n SER 27 Cb 0.34 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.18 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 2.00 -0.29 0.66 6.43 0.15 -0.89 -5.00 113.70 116.77 2kys s SER 28 Ca 0.44 -0.25 0.42 0.00 0.70 0.00 0.00 55.95 57.26 2kys s SER 28 Cb 0.21 0.49 2.32 0.00 -1.71 0.00 0.00 66.02 67.33 2kys s SER 28 CO 0.00 -0.85 2.34 0.07 1.20 0.00 0.00 173.24 175.99 2kys h LYS 29 N 2.36 0.00 0.23 5.44 -0.00 -1.85 -3.32 116.57 119.43 2kys h LYS 29 Ca -0.34 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 60.32 2kys h LYS 29 Cb 1.26 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.45 2kys h LYS 29 CO 0.45 0.00 -0.45 1.25 -0.00 0.00 0.00 179.45 180.70 2kys h LEU 30 N 0.00 -1.30 -0.86 7.07 7.12 -1.93 0.18 115.31 125.59 2kys h LEU 30 Ca 0.00 0.13 0.23 0.00 0.13 0.00 0.00 57.88 58.37 2kys h LEU 30 Cb 0.04 0.47 -0.14 0.00 -0.53 0.00 0.00 40.66 40.50 2kys h LEU 30 CO -0.00 -0.54 0.20 -0.25 -0.13 0.00 0.00 178.44 177.72 2kys h TRP 31 N -0.76 0.30 -0.06 1.25 7.01 -1.66 -1.60 115.95 120.43 2kys h TRP 31 Ca -0.01 0.05 -0.16 0.00 2.11 0.00 0.00 58.89 60.89 2kys h TRP 31 Cb 0.74 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2kys h TRP 31 CO -0.34 -0.21 -0.65 0.00 -2.79 0.00 0.00 178.44 174.44 2kys h ALA 32 N 1.77 0.78 -0.87 2.65 0.00 -1.39 -3.15 119.26 119.05 2kys h ALA 32 Ca 0.53 -0.57 0.22 0.00 0.00 0.00 0.00 54.91 55.09 2kys h ALA 32 Cb 1.06 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2kys h ALA 32 CO -0.66 0.76 0.30 1.96 0.00 0.00 0.00 179.25 181.61 2kys h GLN 33 N 0.18 0.29 0.12 0.00 1.08 0.34 0.14 115.11 117.26 2kys h GLN 33 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2kys h GLN 33 Cb 1.18 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2kys h GLN 33 CO 0.10 0.19 -0.06 0.00 -0.95 0.00 0.00 178.83 178.11 2kys h VAL 35 N -0.94 1.13 -0.03 0.00 2.07 -1.37 -1.63 116.25 115.48 2kys h VAL 35 Ca -0.02 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 2kys h VAL 35 Cb 0.49 -0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2kys h VAL 35 CO 0.03 0.22 -0.57 0.06 0.02 0.00 0.00 177.57 177.33 2kys h GLN 36 N 1.23 0.43 0.00 1.57 -0.00 -0.85 -3.31 115.11 114.17 2kys h GLN 36 Ca 0.42 -0.43 -0.10 0.00 -0.00 0.00 0.00 58.65 58.54 2kys h GLN 36 Cb 0.09 0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 2kys h GLN 36 CO -0.15 1.08 -0.49 1.25 -0.00 0.00 0.00 178.83 180.52 2kys h LEU 37 N -0.06 0.00 -0.36 0.06 6.46 -1.18 -2.61 115.31 117.62 2kys h LEU 37 Ca -0.06 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 2kys h LEU 37 Cb 1.26 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.10 2kys h LEU 37 CO 0.11 0.49 -0.38 -0.74 -0.62 0.00 0.00 178.44 177.31 2kys h HIS 38 N 0.00 -1.08 -0.64 1.25 2.76 -1.39 -1.32 115.15 114.73 2kys h HIS 38 Ca -0.00 0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 2kys h HIS 38 Cb 1.12 0.52 -0.03 0.00 1.55 0.00 0.00 27.41 30.58 2kys h HIS 38 CO 0.00 -0.42 0.08 -0.91 -1.30 0.00 0.00 177.93 175.38 2kys h ASN 39 N -0.32 1.02 0.00 3.26 2.35 -1.60 -2.89 115.58 117.40 2kys h ASN 39 Ca 0.14 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2kys h ASN 39 Cb 0.57 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2kys h ASN 39 CO -0.53 1.03 0.00 0.44 -1.65 0.00 0.00 177.43 176.73 2kys h ASP 40 N 0.99 0.00 0.75 5.81 3.32 -0.91 -0.97 116.42 125.42 2kys h ASP 40 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2kys h ASP 40 Cb 0.46 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2kys h ASP 40 CO 0.02 0.00 -0.36 0.40 -1.72 0.00 0.00 179.24 177.57 2kys h ILE 41 N 0.00 0.00 -0.43 0.35 1.08 -1.15 -1.65 117.51 115.72 2kys h ILE 41 Ca 0.00 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 2kys h ILE 41 Cb 0.01 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.74 2kys h ILE 41 CO 0.00 0.00 0.01 -0.07 -0.69 0.00 0.00 178.15 177.40 2kys h LEU 42 N -1.04 0.64 -0.41 1.44 3.38 -1.44 -1.85 115.31 116.03 2kys h LEU 42 Ca -0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kys h LEU 42 Cb 0.78 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kys h LEU 42 CO 0.17 0.71 0.00 0.18 0.09 0.00 0.00 178.44 179.59 2kys n LEU 43 N -4.25 0.60 0.00 1.67 4.32 -0.47 -4.87 117.00 114.01 2kys n LEU 43 Ca 0.02 -0.30 -0.24 0.00 -0.02 0.00 0.00 56.01 55.47 2kys n LEU 43 Cb 0.27 -0.07 0.20 0.00 -1.62 0.00 0.00 43.42 42.20 2kys n LEU 43 CO 0.40 0.15 0.51 0.00 -1.22 0.00 0.00 177.39 177.23 2kys n ALA 44 N -0.17 -2.70 -0.09 -1.18 0.00 -0.62 -4.94 120.51 110.81 2kys n ALA 44 Ca 0.04 -1.33 -0.16 0.00 0.00 0.00 0.00 53.44 51.99 2kys n ALA 44 Cb 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 -4.61 0.00 1.79 -1.89 -3.49 116.57 108.37 2kys h LYS 45 Ca -0.34 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.83 2kys h LYS 45 Cb 1.02 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.53 2kys h LYS 45 CO 0.22 0.75 -0.53 -0.51 -1.08 0.00 0.00 179.45 178.30 2kys s ASP 46 N -6.43 0.64 0.09 0.86 1.01 -1.26 -5.03 116.67 106.55 2kys s ASP 46 Ca -0.22 -1.48 -0.24 0.00 0.71 0.00 0.00 52.55 51.32 2kys s ASP 46 Cb 0.03 0.46 -0.15 0.00 1.01 0.00 0.00 42.92 44.27 2kys s ASP 46 CO 0.50 -0.95 1.72 0.74 0.21 0.00 0.00 175.17 177.39 2kys h THR 47 N 2.43 0.96 -0.04 -1.27 2.02 -1.97 0.11 112.91 115.14 2kys h THR 47 Ca -0.32 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2kys h THR 47 Cb 1.24 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2kys h THR 47 CO 0.46 0.01 0.02 0.00 0.37 0.00 0.00 175.52 176.38 2kys h THR 48 N -0.07 1.04 -0.83 3.16 1.03 -2.00 -2.66 112.91 112.57 2kys h THR 48 Ca -0.01 -0.10 0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2kys h THR 48 Cb 0.06 1.04 -0.04 0.00 -1.07 0.00 0.00 68.15 68.13 2kys h THR 48 CO 0.01 0.03 0.55 -0.08 -0.01 0.00 0.00 175.52 176.02 2kys h GLU 49 N 0.02 1.07 -0.73 0.00 4.57 -1.92 0.14 114.58 117.73 2kys h GLU 49 Ca 0.01 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 2kys h GLU 49 Cb 0.03 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 2kys h GLU 49 CO -0.00 0.71 0.44 0.00 -1.18 0.00 0.00 179.01 178.98 2kys h ALA 50 N 1.49 0.98 0.00 2.92 0.00 -0.44 -2.71 119.26 121.49 2kys h ALA 50 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2kys h ALA 50 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2kys h ALA 50 CO -0.07 0.18 -1.90 1.97 0.00 0.00 0.00 179.25 179.43 2kys n PHE 51 N -4.69 0.15 -0.20 0.00 -1.74 -0.86 -3.82 117.46 106.30 2kys n PHE 51 Ca 0.09 0.05 -0.01 0.00 -0.56 0.00 0.00 57.45 57.01 2kys n PHE 51 Cb 0.13 -0.63 0.06 0.00 1.52 0.00 0.00 39.48 40.56 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 0.00 -0.12 3.97 4.39 -0.63 -0.25 114.58 121.94 2kys h GLU 52 Ca -0.06 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2kys h GLU 52 Cb 1.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2kys h GLU 52 CO 0.00 0.00 -0.48 1.57 -1.16 0.00 0.00 179.01 178.94 2kys h LYS 53 N 0.00 0.30 -0.56 2.33 2.10 -1.62 -1.21 116.57 117.91 2kys h LYS 53 Ca 0.29 -0.17 -0.11 0.00 -2.00 0.00 0.00 60.65 58.66 2kys h LYS 53 Cb 0.44 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 2kys h LYS 53 CO -0.61 0.72 -0.07 0.00 -2.00 0.00 0.00 179.45 177.50 2kys h MET 54 N 0.24 1.04 0.00 0.07 -0.00 -1.37 -1.56 114.93 113.35 2kys h MET 54 Ca 0.01 -0.36 -0.03 0.00 -0.00 0.00 0.00 59.70 59.32 2kys h MET 54 Cb 0.94 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.46 2kys h MET 54 CO 0.08 1.06 -0.14 0.28 -0.00 0.00 0.00 176.91 178.19 2kys h VAL 55 N 0.92 0.34 -0.00 -0.10 2.07 -0.93 -0.85 116.25 117.70 2kys h VAL 55 Ca 0.15 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2kys h VAL 55 Cb 0.63 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2kys h VAL 55 CO 0.04 0.14 -0.08 -1.20 0.02 0.00 0.00 177.57 176.49 2kys n SER 56 N -3.27 0.14 -0.08 0.57 7.64 -0.47 -4.12 113.62 114.03 2kys n SER 56 Ca 0.01 0.07 -0.09 0.00 1.01 0.00 0.00 58.87 59.86 2kys n SER 56 Cb 0.40 -0.28 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.09 0.00 -0.82 -3.43 6.46 -0.17 -3.42 115.31 114.01 2kys h LEU 57 Ca 0.00 -0.17 0.19 0.00 -0.12 0.00 0.00 57.88 57.78 2kys h LEU 57 Cb 0.42 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.20 2kys h LEU 57 CO 0.00 0.93 -0.03 0.17 -0.62 0.00 0.00 178.44 178.90 2kys h LEU 58 N -1.00 -0.45 -0.95 2.25 8.10 -1.58 -0.61 115.31 121.06 2kys h LEU 58 Ca -0.09 0.22 -0.10 0.00 0.11 0.00 0.00 57.88 58.02 2kys h LEU 58 Cb 0.69 0.40 -0.01 0.00 -0.44 0.00 0.00 40.66 41.30 2kys h LEU 58 CO -0.06 -0.23 -0.49 -1.28 -4.11 0.00 0.00 178.44 172.28 2kys h SER 59 N 0.07 0.00 0.04 0.17 0.87 -1.84 -1.63 113.55 111.23 2kys h SER 59 Ca 0.45 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.03 2kys h SER 59 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2kys h SER 59 CO -0.75 0.49 -0.14 0.58 -0.53 0.00 0.00 176.83 176.48 2kys h VAL 60 N 0.00 0.67 0.06 2.23 2.07 -1.36 -0.82 116.25 119.10 2kys h VAL 60 Ca -0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 2kys h VAL 60 Cb 0.92 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2kys h VAL 60 CO 0.06 0.00 -1.13 -0.07 0.02 0.00 0.00 177.57 176.45 2kys h LEU 61 N -0.25 0.85 -0.84 2.57 -0.00 -1.53 -3.15 115.31 112.95 2kys h LEU 61 Ca 0.04 -0.73 0.00 0.00 -0.00 0.00 0.00 57.88 57.19 2kys h LEU 61 Cb 0.29 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 2kys h LEU 61 CO -0.11 1.53 0.53 -0.07 -0.00 0.00 0.00 178.44 180.33 2kys h LEU 62 N 0.32 0.99 0.00 1.67 3.38 -1.23 -0.48 115.31 119.96 2kys h LEU 62 Ca -0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kys h LEU 62 Cb 1.79 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2kys h LEU 62 CO 0.22 0.74 0.00 -0.24 0.09 0.00 0.00 178.44 179.25 2kys n SER 63 N -4.47 0.00 0.00 -0.43 2.88 -0.32 -1.09 113.62 110.20 2kys n SER 63 Ca 0.09 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2kys n SER 63 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.67 3.01 0.00 -1.46 0.00 -0.30 -4.96 117.12 112.73 2kys n MET 64 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.56 2kys n MET 64 Cb 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 33.22 32.58 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 -0.49 0.00 -2.28 3.17 10.64 -0.57 -5.07 117.38 122.78 2kys n GLN 65 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 2kys n GLN 65 Cb 0.01 -0.31 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 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 0.23 0.25 3.76 2.61 0.00 -0.25 -4.96 105.19 106.83 2kys n GLY 66 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.49 2.86 -0.15 4.61 0.00 -1.26 -4.99 121.76 120.35 2kys s ALA 67 Ca 0.04 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 2kys s ALA 67 Cb -0.02 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 2kys s ALA 67 CO 0.05 -1.17 0.17 -0.39 0.00 0.00 0.00 175.76 174.42 2kys h VAL 68 N 1.57 0.63 -0.10 0.00 -1.51 -1.95 -3.41 116.25 111.48 2kys h VAL 68 Ca -0.50 -1.60 -0.01 0.00 -1.23 0.00 0.00 66.70 63.36 2kys h VAL 68 Cb 1.28 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2kys h VAL 68 CO 0.58 0.21 0.01 0.47 -1.23 0.00 0.00 177.57 177.62 2kys n ASP 69 N -4.61 1.90 0.16 4.19 8.00 -1.26 -4.38 116.55 120.54 2kys n ASP 69 Ca -0.12 -2.16 0.12 0.00 0.71 0.00 0.00 54.79 53.34 2kys n ASP 69 Cb 0.35 -0.53 0.56 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.55 0.00 0.00 0.53 6.09 -1.95 -0.60 117.51 122.13 2kys h ILE 70 Ca 0.01 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2kys h ILE 70 Cb 0.80 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2kys h ILE 70 CO 0.09 0.00 -0.95 0.59 -3.07 0.00 0.00 178.15 174.81 2kys n ASN 71 N -2.32 0.64 -0.01 2.19 3.02 -1.26 -4.40 115.26 113.12 2kys n ASN 71 Ca 0.01 -0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.10 2kys n ASN 71 Cb 0.16 0.75 -0.10 0.00 -0.61 0.00 0.00 39.78 39.97 2kys n ASN 71 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2kys h ARG 72 N 0.00 -0.03 -0.35 3.52 -0.00 -1.45 -1.02 114.38 115.04 2kys h ARG 72 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2kys h ARG 72 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.62 2kys h ARG 72 CO 0.00 0.51 0.15 1.37 0.00 0.00 0.00 179.97 182.00 2kys h LEU 73 N -0.59 0.44 -0.09 3.04 -0.00 -1.81 -2.77 115.31 113.53 2kys h LEU 73 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 73 Cb 0.55 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2kys h LEU 73 CO 0.01 0.40 0.06 0.00 -0.00 0.00 0.00 178.44 178.90 2kys n GLU 75 N -5.02 0.03 -0.04 0.00 -0.58 -0.43 -0.64 120.64 113.96 2kys n GLU 75 Ca -0.05 0.30 -0.02 0.00 -0.42 0.00 0.00 57.16 56.97 2kys n GLU 75 Cb 0.04 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 2kys n GLU 75 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2kys h GLU 76 N 0.00 0.00 0.00 3.49 4.11 -1.01 -3.40 114.58 117.77 2kys h GLU 76 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2kys h GLU 76 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kys h GLU 76 CO 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 179.01 179.03 2kys h MET 77 N -0.62 0.00 0.00 1.06 -0.00 -0.87 -0.58 114.93 113.92 2kys h MET 77 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 2kys h MET 77 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.86 2kys h MET 77 CO 0.00 0.05 -0.30 1.25 -0.00 0.00 0.00 176.91 177.91 2kys h LEU 78 N 0.00 0.00 0.00 -0.10 5.85 -1.10 -3.23 115.31 116.73 2kys h LEU 78 Ca -0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 2kys h LEU 78 Cb 0.39 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2kys h LEU 78 CO 0.01 0.30 -2.34 -0.67 -0.34 0.00 0.00 178.44 175.40 2kys n ASP 79 N -3.45 0.30 0.19 1.25 2.03 -0.35 -3.82 116.55 112.71 2kys n ASP 79 Ca 0.00 -0.01 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2kys n ASP 79 Cb 0.48 0.90 0.66 0.00 -0.72 0.00 0.00 41.12 42.44 2kys n ASP 79 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2kys h ASN 80 N 0.00 0.00 0.39 1.67 2.35 -1.29 0.14 115.58 118.84 2kys h ASN 80 Ca -0.53 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 54.91 2kys h ASN 80 Cb 2.18 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.50 2kys h ASN 80 CO 0.02 0.00 -1.84 -2.11 -1.65 0.00 0.00 177.43 171.85 2kys n ARG 81 N -2.42 0.65 0.19 0.81 -4.01 -1.22 -4.41 116.66 106.25 2kys n ARG 81 Ca -0.01 0.25 0.07 0.00 -1.04 0.00 0.00 57.85 57.12 2kys n ARG 81 Cb 0.10 -1.74 0.27 0.00 -3.04 0.00 0.00 32.46 28.05 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 0.93 0.89 0.00 2.89 0.00 -0.89 -3.14 119.26 119.94 2kys h ALA 82 Ca -0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kys h ALA 82 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2kys h ALA 82 CO 0.07 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2kys h THR 83 N 0.00 0.00 0.00 0.00 1.03 -1.32 -2.58 112.91 110.04 2kys h THR 83 Ca -0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 2kys h THR 83 Cb 1.00 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2kys h THR 83 CO 0.04 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.73 2kys n LEU 84 N -2.96 0.00 -0.56 0.00 4.77 -1.19 -5.14 117.00 111.92 2kys n LEU 84 Ca -0.01 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 2kys n LEU 84 Cb 0.16 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2kys n LEU 84 CO 0.22 -0.05 0.47 0.00 -1.33 0.00 0.00 177.39 176.69