#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 -1.22 -0.07 1.61 2.46 -1.26 -5.16 115.29 111.66 2kys s HIS 2 Ca 0.00 1.03 -0.11 0.00 0.47 0.00 0.00 55.06 56.45 2kys s HIS 2 Cb 0.00 0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.66 2kys s HIS 2 CO 0.00 -0.86 0.27 -1.12 -2.47 0.00 0.00 174.74 170.56 2kys s SER 3 N 2.67 -0.23 -0.40 9.88 0.01 -1.26 -5.11 113.70 119.26 2kys s SER 3 Ca 0.14 0.36 -0.43 0.00 1.31 0.00 0.00 55.95 57.34 2kys s SER 3 Cb -0.14 0.47 -0.17 0.00 0.21 0.00 0.00 66.02 66.39 2kys s SER 3 CO -0.21 -0.22 1.79 2.29 0.41 0.00 0.00 173.24 177.30 2kys n LYS 4 N 2.34 0.58 -1.31 12.44 -0.00 -1.26 -1.89 118.16 129.06 2kys n LYS 4 Ca -0.16 0.20 -0.05 0.00 -0.00 0.00 0.00 58.31 58.30 2kys n LYS 4 Cb 0.57 -1.84 -0.02 0.00 -0.00 0.00 0.00 35.03 33.74 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 5.47 -1.30 -1.68 -1.58 0.00 -1.26 -1.33 117.12 115.43 2kys n MET 5 Ca 0.33 0.29 -0.03 0.00 0.00 0.00 0.00 57.70 58.29 2kys n MET 5 Cb 0.05 -4.44 -0.01 0.00 0.00 0.00 0.00 33.22 28.82 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 0.18 -1.30 -3.27 3.17 7.64 -0.79 -1.34 113.62 117.91 2kys n SER 6 Ca -0.05 0.22 -0.24 0.00 1.01 0.00 0.00 58.87 59.82 2kys n SER 6 Cb 0.21 -1.41 0.02 0.00 -1.01 0.00 0.00 64.21 62.02 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 -0.32 -5.09 -4.58 6.43 2.03 -0.44 -4.89 116.55 109.70 2kys n ASP 7 Ca -0.04 -0.39 -0.42 0.00 0.52 0.00 0.00 54.79 54.47 2kys n ASP 7 Cb 0.29 -4.13 -0.01 0.00 -0.72 0.00 0.00 41.12 36.56 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 -3.10 4.05 -2.76 5.18 1.01 -0.45 -4.65 120.40 119.68 2kys s VAL 8 Ca 0.39 -1.61 0.22 0.00 0.00 0.00 0.00 61.98 60.99 2kys s VAL 8 Cb -0.19 -5.13 0.17 0.00 0.00 0.00 0.00 36.38 31.23 2kys s VAL 8 CO 0.48 -1.96 1.20 2.29 0.00 0.00 0.00 175.10 177.11 2kys n LYS 9 N 8.51 2.07 -1.33 2.72 0.00 -1.26 -5.05 118.16 123.81 2kys n LYS 9 Ca 0.45 -1.80 0.18 0.00 -0.00 0.00 0.00 58.31 57.14 2kys n LYS 9 Cb 0.47 -1.43 -0.05 0.00 -0.00 0.00 0.00 35.03 34.02 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 -4.07 0.00 -3.81 0.00 5.66 -1.26 -5.11 114.28 105.70 2kys n THR 11 Ca -0.01 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.69 2kys n THR 11 Cb 0.61 0.00 -0.14 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 -2.00 4.08 0.53 1.09 0.01 -1.26 -4.99 113.70 111.16 2kys s SER 12 Ca 0.00 -2.23 0.22 0.00 1.31 0.00 0.00 55.95 55.25 2kys s SER 12 Cb 0.00 -1.16 1.37 0.00 0.21 0.00 0.00 66.02 66.44 2kys s SER 12 CO 0.00 -0.34 2.07 -0.37 0.41 0.00 0.00 173.24 175.01 2kys h VAL 13 N 5.98 0.82 -0.72 3.43 -1.51 -1.99 -0.68 116.25 121.57 2kys h VAL 13 Ca -0.07 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.54 2kys h VAL 13 Cb 0.97 0.85 -0.14 0.00 -2.13 0.00 0.00 31.29 30.84 2kys h VAL 13 CO 0.51 0.00 -0.23 1.62 -1.23 0.00 0.00 177.57 178.23 2kys h VAL 14 N 0.00 0.22 -0.34 7.19 3.04 -1.99 0.15 116.25 124.52 2kys h VAL 14 Ca 0.14 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.71 2kys h VAL 14 Cb 0.57 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 2kys h VAL 14 CO -0.00 0.00 -0.26 0.17 -1.01 0.00 0.00 177.57 176.46 2kys h LEU 15 N -0.04 0.82 -0.10 3.16 8.10 -1.47 -3.20 115.31 122.58 2kys h LEU 15 Ca 0.33 -0.45 -0.03 0.00 0.11 0.00 0.00 57.88 57.85 2kys h LEU 15 Cb 0.55 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 2kys h LEU 15 CO -0.76 1.09 -0.04 -0.07 -4.11 0.00 0.00 178.44 174.55 2kys h LEU 16 N 0.55 0.21 -1.04 0.17 -0.00 -1.21 -3.23 115.31 110.76 2kys h LEU 16 Ca 0.06 -0.39 0.19 0.00 -0.00 0.00 0.00 57.88 57.74 2kys h LEU 16 Cb 0.83 -0.06 -0.11 0.00 -0.00 0.00 0.00 40.66 41.33 2kys h LEU 16 CO 0.07 0.56 0.61 0.28 -0.00 0.00 0.00 178.44 179.96 2kys h SER 17 N -0.14 0.76 -0.97 -0.43 0.02 -0.77 0.35 113.55 112.38 2kys h SER 17 Ca 0.02 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.21 2kys h SER 17 Cb 0.47 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.89 2kys h SER 17 CO 0.01 0.26 0.61 0.58 -1.14 0.00 0.00 176.83 177.16 2kys h VAL 18 N 0.73 0.85 0.12 2.27 2.07 -1.57 0.47 116.25 121.19 2kys h VAL 18 Ca 0.58 -0.29 -0.27 0.00 0.82 0.00 0.00 66.70 67.53 2kys h VAL 18 Cb 0.94 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2kys h VAL 18 CO -0.37 0.15 -1.38 -0.07 0.02 0.00 0.00 177.57 175.92 2kys h LEU 19 N 0.85 0.39 -2.12 2.57 3.38 -1.09 -3.27 115.31 116.02 2kys h LEU 19 Ca 0.50 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2kys h LEU 19 Cb 0.65 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kys h LEU 19 CO -0.26 1.61 0.00 1.56 0.09 0.00 0.00 178.44 181.44 2kys h GLN 20 N -0.30 0.00 -0.42 1.13 4.20 -1.08 -2.57 115.11 116.07 2kys h GLN 20 Ca -0.30 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.54 2kys h GLN 20 Cb 1.76 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.52 2kys h GLN 20 CO 0.07 0.00 0.36 0.37 -0.67 0.00 0.00 178.83 178.96 2kys h GLN 21 N 0.00 0.00 0.00 1.46 5.75 -0.95 -3.34 115.11 118.03 2kys h GLN 21 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kys h GLN 21 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2kys h GLN 21 CO -0.00 0.00 0.00 1.28 -2.65 0.00 0.00 178.83 177.46 2kys n LEU 22 N -4.07 0.00 0.00 -2.39 7.99 -0.98 -5.06 117.00 112.49 2kys n LEU 22 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 2kys n LEU 22 Cb 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 2kys n LEU 22 CO 0.32 0.00 0.00 -2.11 -1.51 0.00 0.00 177.39 174.09 2kys n ARG 23 N -1.19 0.00 -1.53 3.23 0.00 -1.15 -5.15 116.66 110.87 2kys n ARG 23 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.85 57.35 2kys n ARG 23 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 32.46 32.42 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 1.14 -3.22 8.89 3.14 -1.14 -4.92 118.33 122.23 2kys n VAL 24 Ca 0.00 -0.29 -0.41 0.00 -2.96 0.00 0.00 64.34 60.68 2kys n VAL 24 Cb 0.20 -0.53 -0.08 0.00 -1.06 0.00 0.00 33.84 32.37 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 -0.61 3.66 0.44 1.45 2.02 -1.26 -4.91 118.70 119.49 2kys s GLU 25 Ca 0.72 -0.10 0.15 0.00 0.02 0.00 0.00 54.97 55.77 2kys s GLU 25 Cb -0.92 -3.80 1.06 0.00 0.10 0.00 0.00 34.13 30.58 2kys s GLU 25 CO 0.55 -0.64 1.96 0.66 0.02 0.00 0.00 175.26 177.81 2kys h SER 26 N 8.43 0.35 0.00 -0.19 4.64 -2.00 -1.34 113.55 123.45 2kys h SER 26 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2kys h SER 26 Cb 1.12 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2kys h SER 26 CO 0.78 0.20 0.03 -1.20 -0.87 0.00 0.00 176.83 175.77 2kys n SER 27 N -4.47 0.00 -4.41 4.97 7.64 -1.26 -4.64 113.62 111.45 2kys n SER 27 Ca 0.12 0.35 -0.30 0.00 1.01 0.00 0.00 58.87 60.04 2kys n SER 27 Cb 0.45 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.67 3.52 0.58 6.43 0.15 -0.50 -5.00 113.70 116.20 2kys s SER 28 Ca 0.00 -0.58 0.30 0.00 0.70 0.00 0.00 55.95 56.37 2kys s SER 28 Cb 0.00 -0.41 1.42 0.00 -1.71 0.00 0.00 66.02 65.32 2kys s SER 28 CO 0.00 0.22 1.82 0.07 1.20 0.00 0.00 173.24 176.55 2kys h LYS 29 N 4.29 0.00 -0.61 5.44 -0.00 -1.84 -2.65 116.57 121.20 2kys h LYS 29 Ca -0.49 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 60.25 2kys h LYS 29 Cb 1.16 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.32 2kys h LYS 29 CO 0.44 0.00 0.26 1.25 -0.00 0.00 0.00 179.45 181.40 2kys h LEU 30 N 0.00 0.31 -0.08 7.07 7.12 -1.92 0.52 115.31 128.32 2kys h LEU 30 Ca 0.30 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.41 2kys h LEU 30 Cb 1.54 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.63 2kys h LEU 30 CO -0.00 0.19 -0.36 -0.25 -0.13 0.00 0.00 178.44 177.88 2kys h TRP 31 N 0.47 -1.02 -0.14 1.25 7.01 -1.60 -2.91 115.95 119.02 2kys h TRP 31 Ca 0.30 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 61.26 2kys h TRP 31 Cb 0.33 0.46 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 2kys h TRP 31 CO -0.14 -0.44 -0.26 0.00 -2.79 0.00 0.00 178.44 174.81 2kys h ALA 32 N 0.23 1.31 -0.79 2.65 0.00 -1.26 -2.47 119.26 118.93 2kys h ALA 32 Ca 0.08 -0.31 0.15 0.00 0.00 0.00 0.00 54.91 54.83 2kys h ALA 32 Cb 0.59 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 2kys h ALA 32 CO -0.34 0.47 0.33 1.96 0.00 0.00 0.00 179.25 181.67 2kys h GLN 33 N 0.23 0.44 -0.00 0.00 1.08 0.17 0.99 115.11 118.01 2kys h GLN 33 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kys h GLN 33 Cb 0.59 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2kys h GLN 33 CO 0.04 0.29 -0.09 0.00 -0.95 0.00 0.00 178.83 178.13 2kys n VAL 35 N -1.04 0.93 -0.34 0.00 0.31 -0.44 -4.28 118.33 113.47 2kys n VAL 35 Ca 0.14 -0.12 0.05 0.00 -0.01 0.00 0.00 64.34 64.41 2kys n VAL 35 Cb 0.27 -1.76 0.21 0.00 -0.91 0.00 0.00 33.84 31.65 2kys n VAL 35 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2kys h GLN 36 N -0.54 0.91 0.00 5.55 -0.00 -0.99 -1.96 115.11 118.09 2kys h GLN 36 Ca -0.31 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 2kys h GLN 36 Cb 1.18 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 2kys h GLN 36 CO -0.19 0.61 0.00 -0.11 -0.00 0.00 0.00 178.83 179.14 2kys n LEU 37 N -4.65 0.21 -0.05 0.06 7.94 -1.15 -3.22 117.00 116.15 2kys n LEU 37 Ca 0.17 0.52 -0.14 0.00 -1.11 0.00 0.00 56.01 55.45 2kys n LEU 37 Cb 0.32 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.73 2kys n LEU 37 CO 0.27 -0.09 0.51 -0.74 -1.11 0.00 0.00 177.39 176.24 2kys h HIS 38 N 0.00 0.49 -0.35 1.96 2.76 -1.53 -3.27 115.15 115.21 2kys h HIS 38 Ca 0.00 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.01 2kys h HIS 38 Cb 0.52 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2kys h HIS 38 CO 0.00 0.87 0.20 -0.91 -1.30 0.00 0.00 177.93 176.79 2kys h ASN 39 N -0.04 0.31 0.00 3.26 2.35 -1.62 -2.52 115.58 117.32 2kys h ASN 39 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2kys h ASN 39 Cb 0.85 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2kys h ASN 39 CO 0.06 0.22 0.01 0.47 -1.65 0.00 0.00 177.43 176.54 2kys n ASP 40 N -4.91 0.00 -0.04 5.81 8.00 -1.23 -0.30 116.55 123.88 2kys n ASP 40 Ca 0.00 0.40 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 2kys n ASP 40 Cb 0.06 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.63 -0.11 0.53 1.08 -1.54 -2.21 117.51 116.89 2kys h ILE 41 Ca 0.00 -1.94 -0.08 0.00 -0.39 0.00 0.00 64.86 62.45 2kys h ILE 41 Cb 0.02 2.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 2kys h ILE 41 CO 0.00 0.51 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.61 2kys h LEU 42 N -0.74 0.20 -2.94 1.44 3.38 -0.78 -2.94 115.31 112.93 2kys h LEU 42 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kys h LEU 42 Cb 0.88 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kys h LEU 42 CO 0.01 0.49 0.00 0.18 0.09 0.00 0.00 178.44 179.21 2kys n LEU 43 N -4.14 4.45 -4.79 1.67 4.77 -0.21 -4.97 117.00 113.79 2kys n LEU 43 Ca -0.01 -2.24 -0.32 0.00 -0.03 0.00 0.00 56.01 53.40 2kys n LEU 43 Cb 0.38 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2kys n LEU 43 CO 0.40 0.85 0.72 0.00 -1.33 0.00 0.00 177.39 178.03 2kys s ALA 44 N -1.59 2.60 0.14 -1.18 0.00 -0.83 -4.91 121.76 115.98 2kys s ALA 44 Ca 0.50 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 2kys s ALA 44 Cb 0.30 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2kys s ALA 44 CO 0.27 -1.13 1.76 0.87 0.00 0.00 0.00 175.76 177.53 2kys h LYS 45 N -0.10 0.50 0.00 0.00 1.57 -1.88 -3.46 116.57 113.20 2kys h LYS 45 Ca -0.46 -0.05 -0.26 0.00 -1.87 0.00 0.00 60.65 58.02 2kys h LYS 45 Cb 1.23 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.37 2kys h LYS 45 CO 0.56 0.39 -0.22 -0.25 -0.57 0.00 0.00 179.45 179.36 2kys n ASP 46 N -4.78 -0.63 0.24 0.86 8.00 -1.26 -5.07 116.55 113.90 2kys n ASP 46 Ca -0.00 -2.34 -0.15 0.00 0.71 0.00 0.00 54.79 53.01 2kys n ASP 46 Cb 0.06 1.31 -0.08 0.00 -0.02 0.00 0.00 41.12 42.40 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 1.68 0.51 -0.38 -3.53 2.02 -1.95 -2.08 112.91 109.16 2kys h THR 47 Ca -0.16 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.72 2kys h THR 47 Cb 0.77 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2kys h THR 47 CO 0.23 0.06 0.09 0.00 0.37 0.00 0.00 175.52 176.26 2kys h THR 48 N -0.83 0.82 0.00 3.16 1.03 -2.00 -0.91 112.91 114.17 2kys h THR 48 Ca -0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2kys h THR 48 Cb 0.56 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 2kys h THR 48 CO 0.10 0.04 0.00 -0.08 -0.01 0.00 0.00 175.52 175.57 2kys h GLU 49 N 0.22 0.00 0.00 0.00 4.57 -1.98 -2.05 114.58 115.34 2kys h GLU 49 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2kys h GLU 49 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2kys h GLU 49 CO -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.60 2kys n ALA 50 N -1.97 -0.22 0.29 2.92 0.00 -0.35 -3.90 120.51 117.28 2kys n ALA 50 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2kys n ALA 50 Cb 0.15 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.15 0.00 -5.15 -1.56 -2.99 116.94 107.09 2kys h PHE 51 Ca 0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 2kys h PHE 51 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 2kys h PHE 51 CO 0.10 0.03 0.48 0.93 -2.00 0.00 0.00 178.31 177.85 2kys h GLU 52 N 0.00 0.00 0.00 6.09 5.08 -1.48 -0.02 114.58 124.25 2kys h GLU 52 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2kys h GLU 52 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2kys h GLU 52 CO 0.00 0.00 -2.06 0.36 -1.00 0.00 0.00 179.01 176.31 2kys n LYS 53 N -3.07 1.11 -0.25 2.33 2.85 -1.13 -4.31 118.16 115.70 2kys n LYS 53 Ca 0.02 -0.05 -0.07 0.00 -1.05 0.00 0.00 58.31 57.16 2kys n LYS 53 Cb 0.56 -1.43 0.04 0.00 -0.65 0.00 0.00 35.03 33.56 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 1.07 0.00 -1.58 -0.00 -1.16 -1.61 114.93 111.66 2kys h MET 54 Ca -0.34 -0.23 0.00 0.00 -0.00 0.00 0.00 59.70 59.13 2kys h MET 54 Cb 1.73 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 33.18 2kys h MET 54 CO 0.02 0.93 0.00 0.28 -0.00 0.00 0.00 176.91 178.13 2kys n VAL 55 N -4.31 0.87 -0.11 -0.10 0.31 -0.46 -1.04 118.33 113.49 2kys n VAL 55 Ca 0.05 0.22 0.07 0.00 -0.01 0.00 0.00 64.34 64.66 2kys n VAL 55 Cb 0.22 -1.05 0.16 0.00 -0.91 0.00 0.00 33.84 32.26 2kys n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kys n SER 56 N -1.33 2.96 -0.02 4.52 7.64 -0.62 -4.64 113.62 122.14 2kys n SER 56 Ca 0.04 -1.94 -0.02 0.00 1.01 0.00 0.00 58.87 57.96 2kys n SER 56 Cb 0.09 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.69 2.78 0.00 -3.43 -0.00 -0.20 -4.67 117.00 112.17 2kys n LEU 57 Ca 0.13 -0.02 0.02 0.00 -0.00 0.00 0.00 56.01 56.14 2kys n LEU 57 Cb 0.44 -0.10 0.12 0.00 -0.00 0.00 0.00 43.42 43.87 2kys n LEU 57 CO 0.09 0.52 0.29 0.00 -0.00 0.00 0.00 177.39 178.29 2kys n LEU 58 N -2.56 0.00 0.00 1.47 -0.00 -0.99 -0.82 117.00 114.10 2kys n LEU 58 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2kys n LEU 58 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2kys n LEU 58 CO 0.04 0.00 0.07 -0.24 -0.00 0.00 0.00 177.39 177.26 2kys n SER 59 N -0.73 0.28 -0.15 1.45 2.88 -1.26 -4.42 113.62 111.67 2kys n SER 59 Ca 0.03 -0.70 -0.10 0.00 -1.33 0.00 0.00 58.87 56.77 2kys n SER 59 Cb 0.01 0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.33 1.26 0.27 2.46 3.04 -1.25 -3.22 116.25 119.14 2kys h VAL 60 Ca 0.00 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 2kys h VAL 60 Cb 0.17 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2kys h VAL 60 CO 0.00 0.35 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.71 2kys h LEU 61 N 0.60 -0.30 -0.58 3.16 -0.00 -1.80 -2.87 115.31 113.52 2kys h LEU 61 Ca 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2kys h LEU 61 Cb 0.49 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2kys h LEU 61 CO 0.02 -0.19 0.00 0.18 -0.00 0.00 0.00 178.44 178.45 2kys n LEU 62 N -5.23 0.50 -0.55 1.67 4.77 -1.25 -0.64 117.00 116.28 2kys n LEU 62 Ca -0.10 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 2kys n LEU 62 Cb 0.17 -0.58 0.28 0.00 -2.33 0.00 0.00 43.42 40.97 2kys n LEU 62 CO 0.35 -0.52 0.65 -0.24 -1.33 0.00 0.00 177.39 176.30 2kys n SER 63 N -2.06 1.87 -0.06 -1.43 2.88 -1.09 -2.54 113.62 111.19 2kys n SER 63 Ca 0.02 -1.49 -0.08 0.00 -1.33 0.00 0.00 58.87 56.00 2kys n SER 63 Cb 0.20 0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.24 1.19 0.00 -1.46 0.00 0.19 -4.93 117.12 112.35 2kys n MET 64 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.88 2kys n MET 64 Cb 0.44 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.38 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 -2.68 3.75 -3.41 3.17 10.64 0.07 -5.08 117.38 123.83 2kys n GLN 65 Ca -0.22 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.77 2kys n GLN 65 Cb 0.80 -0.57 0.07 0.00 -0.86 0.00 0.00 30.24 29.68 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 0.71 -0.83 3.64 2.61 0.00 -1.05 -4.97 105.19 105.30 2kys n GLY 66 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.43 0.84 0.00 4.61 0.00 -1.26 -5.04 121.76 117.49 2kys s ALA 67 Ca 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2kys s ALA 67 Cb -0.05 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2kys s ALA 67 CO 0.76 -3.38 0.00 1.55 0.00 0.00 0.00 175.76 174.70 2kys n VAL 68 N -4.59 0.00 0.58 0.00 3.14 -1.26 -4.85 118.33 111.36 2kys n VAL 68 Ca 0.13 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.51 2kys n VAL 68 Cb 0.59 -1.07 0.08 0.00 -1.06 0.00 0.00 33.84 32.39 2kys n VAL 68 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kys n ASP 69 N -2.75 2.16 -0.25 6.55 8.00 -1.26 -3.30 116.55 125.70 2kys n ASP 69 Ca 0.00 -2.22 0.03 0.00 0.71 0.00 0.00 54.79 53.31 2kys n ASP 69 Cb 0.41 -0.54 0.12 0.00 -0.02 0.00 0.00 41.12 41.09 2kys n ASP 69 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kys h ILE 70 N 0.80 0.33 0.00 0.53 1.08 -1.93 -2.58 117.51 115.75 2kys h ILE 70 Ca 0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2kys h ILE 70 Cb 0.89 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2kys h ILE 70 CO 0.12 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 178.18 2kys n ASN 71 N -5.39 0.66 0.00 1.72 5.03 -1.21 -2.89 115.26 113.18 2kys n ASN 71 Ca 0.12 0.66 0.00 0.00 0.87 0.00 0.00 54.58 56.22 2kys n ASN 71 Cb 0.42 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 2kys n ASN 71 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kys n ARG 72 N -2.22 0.00 -0.28 3.52 3.00 -0.97 -3.57 116.66 116.14 2kys n ARG 72 Ca 0.02 0.45 0.27 0.00 -0.01 0.00 0.00 57.85 58.59 2kys n ARG 72 Cb 0.24 -1.28 0.63 0.00 0.00 0.00 0.00 32.46 32.05 2kys n ARG 72 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2kys h LEU 73 N 0.00 0.20 0.27 0.55 -0.00 -1.63 -0.33 115.31 114.38 2kys h LEU 73 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2kys h LEU 73 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2kys h LEU 73 CO 0.00 0.05 -0.38 0.00 -0.00 0.00 0.00 178.44 178.11 2kys n GLU 75 N -5.47 0.05 -0.05 0.00 1.02 -0.15 -1.27 120.64 114.78 2kys n GLU 75 Ca -0.09 0.34 -0.03 0.00 -0.02 0.00 0.00 57.16 57.37 2kys n GLU 75 Cb 0.37 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 2kys n GLU 75 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kys h GLU 76 N 0.00 0.00 0.00 3.49 4.57 -1.17 -3.33 114.58 118.14 2kys h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2kys h GLU 76 Cb 0.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2kys h GLU 76 CO 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 179.01 177.74 2kys h MET 77 N -0.72 0.00 0.00 1.92 -0.00 -0.82 0.18 114.93 115.48 2kys h MET 77 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2kys h MET 77 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 2kys h MET 77 CO 0.00 0.09 -0.37 1.25 -0.00 0.00 0.00 176.91 177.88 2kys h LEU 78 N 0.00 0.00 0.05 -0.10 5.85 -1.40 -3.28 115.31 116.43 2kys h LEU 78 Ca -0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 2kys h LEU 78 Cb 0.42 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2kys h LEU 78 CO 0.01 0.37 -2.11 0.47 -0.34 0.00 0.00 178.44 176.84 2kys n ASP 79 N -3.23 1.45 0.09 1.25 9.92 -0.40 -2.84 116.55 122.78 2kys n ASP 79 Ca 0.02 0.14 0.20 0.00 -0.53 0.00 0.00 54.79 54.62 2kys n ASP 79 Cb 0.65 -0.27 0.75 0.00 -0.64 0.00 0.00 41.12 41.62 2kys n ASP 79 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2kys h ASN 80 N 0.03 0.00 0.12 -2.24 -0.26 -0.84 0.26 115.58 112.65 2kys h ASN 80 Ca -0.45 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 54.93 2kys h ASN 80 Cb 2.03 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.25 2kys h ASN 80 CO 0.03 0.00 -2.15 -2.11 -1.06 0.00 0.00 177.43 172.15 2kys n ARG 81 N -3.82 0.70 0.24 0.81 -4.01 -1.24 -4.39 116.66 104.95 2kys n ARG 81 Ca 0.07 0.21 0.10 0.00 -1.04 0.00 0.00 57.85 57.19 2kys n ARG 81 Cb 0.59 -1.64 0.60 0.00 -3.04 0.00 0.00 32.46 28.97 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 0.24 1.27 0.00 2.89 0.00 -1.01 -2.33 119.26 120.31 2kys h ALA 82 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kys h ALA 82 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2kys h ALA 82 CO 0.03 0.23 0.00 -2.37 0.00 0.00 0.00 179.25 177.14 2kys n THR 83 N -3.70 0.00 -0.68 0.00 5.66 0.78 -0.67 114.28 115.67 2kys n THR 83 Ca -0.01 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.07 2kys n THR 83 Cb 0.30 -0.63 0.29 0.00 -1.55 0.00 0.00 70.33 68.74 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 -0.98 4.19 0.00 1.09 4.77 -0.88 -5.10 117.00 120.10 2kys n LEU 84 Ca 0.16 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 2kys n LEU 84 Cb 0.07 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2kys n LEU 84 CO 0.12 0.73 0.23 0.00 -1.33 0.00 0.00 177.39 177.14