#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 -0.26 0.09 1.61 2.46 -1.26 -5.17 115.29 112.76 2kys s HIS 2 Ca 0.00 0.67 0.04 0.00 0.47 0.00 0.00 55.06 56.24 2kys s HIS 2 Cb 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.35 2kys s HIS 2 CO 0.00 -0.23 -0.11 -1.54 -2.47 0.00 0.00 174.74 170.39 2kys s SER 3 N 1.56 1.46 0.36 9.88 1.04 -1.26 -5.14 113.70 121.61 2kys s SER 3 Ca -0.06 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 55.36 2kys s SER 3 Cb -0.11 -0.00 -0.09 0.00 0.10 0.00 0.00 66.02 65.91 2kys s SER 3 CO -0.07 -0.21 1.16 -1.59 0.98 0.00 0.00 173.24 173.51 2kys s LYS 4 N -2.45 4.24 0.42 4.02 0.00 -1.26 -4.92 119.74 119.79 2kys s LYS 4 Ca 0.02 1.86 0.00 0.00 0.00 0.00 0.00 55.97 57.85 2kys s LYS 4 Cb -0.05 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.94 2kys s LYS 4 CO 0.01 -0.16 0.00 -1.33 0.00 0.00 0.00 175.35 173.86 2kys n MET 5 N 0.42 -2.97 -0.92 1.78 2.81 -1.26 -4.92 117.12 112.05 2kys n MET 5 Ca 0.02 2.12 0.01 0.00 -1.81 0.00 0.00 57.70 58.04 2kys n MET 5 Cb 0.46 -3.59 0.00 0.00 -0.71 0.00 0.00 33.22 29.38 2kys n MET 5 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2kys n SER 6 N -4.33 0.30 -2.64 7.83 7.64 -1.26 -5.03 113.62 116.14 2kys n SER 6 Ca -0.02 -1.91 -0.11 0.00 1.01 0.00 0.00 58.87 57.85 2kys n SER 6 Cb 0.67 -0.18 0.06 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.19 -3.16 -4.46 6.43 8.00 -1.26 -4.86 116.55 117.43 2kys n ASP 7 Ca 0.00 -0.44 -0.44 0.00 0.71 0.00 0.00 54.79 54.63 2kys n ASP 7 Cb 0.85 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 2kys n ASP 7 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2kys n VAL 8 N -2.93 4.20 0.35 2.53 0.31 -1.26 -4.66 118.33 116.87 2kys n VAL 8 Ca -0.14 -4.61 0.06 0.00 -0.01 0.00 0.00 64.34 59.64 2kys n VAL 8 Cb 0.60 -2.44 0.07 0.00 -0.91 0.00 0.00 33.84 31.15 2kys n VAL 8 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2kys n LYS 9 N 6.03 0.97 -0.86 5.55 0.00 -1.26 -5.10 118.16 123.49 2kys n LYS 9 Ca 0.39 -1.33 0.11 0.00 -0.00 0.00 0.00 58.31 57.48 2kys n LYS 9 Cb 0.43 -1.22 -0.03 0.00 -0.00 0.00 0.00 35.03 34.21 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 -2.76 0.00 -3.25 0.00 5.66 -1.26 -5.13 114.28 107.54 2kys n THR 11 Ca -0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 2kys n THR 11 Cb 0.60 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.39 2kys n THR 11 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kys n SER 12 N 0.00 -6.37 0.17 1.09 7.64 -1.26 -4.75 113.62 110.14 2kys n SER 12 Ca 0.00 0.27 0.17 0.00 1.01 0.00 0.00 58.87 60.32 2kys n SER 12 Cb 0.00 -2.31 0.63 0.00 -1.01 0.00 0.00 64.21 61.52 2kys n SER 12 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kys h VAL 13 N 2.75 0.13 -1.02 0.44 -1.51 -2.00 -1.77 116.25 113.27 2kys h VAL 13 Ca -0.25 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.52 2kys h VAL 13 Cb 1.09 0.47 -0.14 0.00 -2.13 0.00 0.00 31.29 30.58 2kys h VAL 13 CO 0.13 0.00 0.60 1.62 -1.23 0.00 0.00 177.57 178.68 2kys h VAL 14 N 0.00 0.38 0.28 7.19 3.04 -2.00 0.32 116.25 125.45 2kys h VAL 14 Ca 0.14 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2kys h VAL 14 Cb 1.33 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2kys h VAL 14 CO -0.00 0.07 -0.13 0.17 -1.01 0.00 0.00 177.57 176.67 2kys h LEU 15 N 0.40 -0.32 -1.03 3.16 -0.00 -1.63 -3.35 115.31 112.54 2kys h LEU 15 Ca 0.70 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 58.41 2kys h LEU 15 Cb 1.57 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 42.27 2kys h LEU 15 CO -0.54 0.17 0.44 -0.07 -0.00 0.00 0.00 178.44 178.43 2kys h LEU 16 N -1.00 1.00 -1.22 0.17 -0.00 -1.24 -1.03 115.31 111.99 2kys h LEU 16 Ca -0.04 -0.08 0.13 0.00 -0.00 0.00 0.00 57.88 57.88 2kys h LEU 16 Cb 0.46 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 40.79 2kys h LEU 16 CO 0.06 0.80 0.58 0.28 -0.00 0.00 0.00 178.44 180.17 2kys h SER 17 N 1.12 0.74 -0.92 -0.43 0.02 -1.20 -1.15 113.55 111.74 2kys h SER 17 Ca 0.28 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.34 2kys h SER 17 Cb 0.03 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 2kys h SER 17 CO -0.05 0.40 0.60 0.58 -1.14 0.00 0.00 176.83 177.22 2kys h VAL 18 N 0.79 1.06 0.07 2.27 2.07 -1.32 -2.04 116.25 119.15 2kys h VAL 18 Ca 0.44 -0.35 -0.24 0.00 0.82 0.00 0.00 66.70 67.37 2kys h VAL 18 Cb 0.59 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2kys h VAL 18 CO -0.21 0.19 -1.24 -0.07 0.02 0.00 0.00 177.57 176.26 2kys h LEU 19 N 1.03 0.23 -2.03 2.57 -0.00 -1.29 -3.34 115.31 112.48 2kys h LEU 19 Ca 0.40 -0.78 -0.02 0.00 -0.00 0.00 0.00 57.88 57.48 2kys h LEU 19 Cb 0.21 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2kys h LEU 19 CO -0.15 1.53 -0.09 0.06 -0.00 0.00 0.00 178.44 179.78 2kys h GLN 20 N -0.56 0.00 -0.78 1.13 3.07 -1.29 -1.51 115.11 115.17 2kys h GLN 20 Ca -0.29 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.68 2kys h GLN 20 Cb 1.56 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.09 2kys h GLN 20 CO -0.03 0.09 0.59 0.37 0.09 0.00 0.00 178.83 179.95 2kys h GLN 21 N 0.00 0.00 0.00 0.06 4.15 -1.48 -3.36 115.11 114.47 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 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2kys h GLN 21 CO 0.01 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.19 2kys n LEU 22 N -4.18 0.00 -0.50 -2.39 7.99 -0.57 -5.06 117.00 112.28 2kys n LEU 22 Ca 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.14 2kys n LEU 22 Cb 0.87 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 44.17 2kys n LEU 22 CO 0.37 0.00 0.13 -2.11 -1.51 0.00 0.00 177.39 174.26 2kys n ARG 23 N -0.32 0.00 -1.26 3.23 -4.01 -1.20 -5.14 116.66 107.96 2kys n ARG 23 Ca 0.00 -0.24 -0.34 0.00 -1.04 0.00 0.00 57.85 56.23 2kys n ARG 23 Cb 0.00 0.30 0.11 0.00 -3.04 0.00 0.00 32.46 29.83 2kys n ARG 23 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2kys s VAL 24 N 0.00 2.19 -0.28 8.89 0.11 -1.24 -5.02 120.40 125.05 2kys s VAL 24 Ca 0.00 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2kys s VAL 24 Cb 0.00 -2.57 0.06 0.00 -1.53 0.00 0.00 36.38 32.34 2kys s VAL 24 CO 0.00 -0.06 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.03 2kys s GLU 25 N -4.05 2.26 0.48 1.54 2.02 -1.26 -4.96 118.70 114.73 2kys s GLU 25 Ca 0.73 -1.35 0.18 0.00 0.02 0.00 0.00 54.97 54.55 2kys s GLU 25 Cb -0.29 -2.99 1.19 0.00 0.10 0.00 0.00 34.13 32.14 2kys s GLU 25 CO 0.48 -0.60 2.00 0.66 0.02 0.00 0.00 175.26 177.82 2kys h SER 26 N 7.83 0.20 0.00 -0.19 4.64 -1.97 -1.97 113.55 122.09 2kys h SER 26 Ca -0.19 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2kys h SER 26 Cb 1.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2kys h SER 26 CO 0.48 0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 2kys n SER 27 N -4.45 0.35 -4.14 4.97 3.41 -1.26 -4.73 113.62 107.77 2kys n SER 27 Ca 0.08 -1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 57.42 2kys n SER 27 Cb 0.43 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kys s SER 28 N -0.81 0.82 0.57 4.04 0.15 -0.74 -5.03 113.70 112.70 2kys s SER 28 Ca 0.00 -1.04 0.27 0.00 0.70 0.00 0.00 55.95 55.88 2kys s SER 28 Cb 0.00 0.16 1.59 0.00 -1.71 0.00 0.00 66.02 66.06 2kys s SER 28 CO 0.00 -0.55 2.09 0.07 1.20 0.00 0.00 173.24 176.05 2kys h LYS 29 N 3.00 0.00 -0.73 5.44 -0.00 -1.85 -3.10 116.57 119.33 2kys h LYS 29 Ca -0.35 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.34 2kys h LYS 29 Cb 1.16 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.35 2kys h LYS 29 CO 0.64 0.00 0.45 1.25 -0.00 0.00 0.00 179.45 181.79 2kys h LEU 30 N 0.00 0.73 -1.19 7.07 7.12 -1.93 0.21 115.31 127.32 2kys h LEU 30 Ca 0.10 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.22 2kys h LEU 30 Cb 0.51 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.42 2kys h LEU 30 CO -0.00 0.50 0.58 -0.25 -0.13 0.00 0.00 178.44 179.14 2kys h TRP 31 N 0.87 0.96 0.00 1.25 7.01 -1.61 -1.96 115.95 122.46 2kys h TRP 31 Ca 0.30 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.21 2kys h TRP 31 Cb 0.05 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 2kys h TRP 31 CO -0.04 0.43 -0.55 0.00 -2.79 0.00 0.00 178.44 175.48 2kys h ALA 32 N 1.56 0.70 -0.07 2.65 0.00 -0.88 -3.07 119.26 120.15 2kys h ALA 32 Ca 0.43 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kys h ALA 32 Cb 0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kys h ALA 32 CO -0.19 0.69 0.22 1.96 0.00 0.00 0.00 179.25 181.93 2kys h GLN 33 N 0.00 0.00 0.00 0.00 1.08 0.03 -2.34 115.11 113.88 2kys h GLN 33 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 2kys h GLN 33 Cb 1.32 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.71 2kys h GLN 33 CO 0.07 0.00 -1.96 0.00 -0.95 0.00 0.00 178.83 175.99 2kys n VAL 35 N -2.69 0.00 -0.10 0.00 0.31 -0.92 -1.80 118.33 113.13 2kys n VAL 35 Ca -0.25 0.99 0.07 0.00 -0.01 0.00 0.00 64.34 65.13 2kys n VAL 35 Cb 0.91 -1.89 0.41 0.00 -0.91 0.00 0.00 33.84 32.36 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 0.00 0.60 0.00 5.55 3.07 -1.77 -1.52 115.11 121.05 2kys h GLN 36 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2kys h GLN 36 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.42 2kys h GLN 36 CO 0.00 0.40 0.00 -0.11 0.09 0.00 0.00 178.83 179.21 2kys n LEU 37 N -4.47 0.00 0.01 0.06 7.94 -1.24 -1.65 117.00 117.65 2kys n LEU 37 Ca 0.08 0.43 -0.18 0.00 -1.11 0.00 0.00 56.01 55.23 2kys n LEU 37 Cb 0.20 -0.43 -0.14 0.00 0.53 0.00 0.00 43.42 43.57 2kys n LEU 37 CO 0.34 -0.06 0.17 -0.74 -1.11 0.00 0.00 177.39 175.99 2kys h HIS 38 N 0.00 0.38 -0.44 1.96 -0.00 -0.47 -3.39 115.15 113.19 2kys h HIS 38 Ca 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 60.37 60.07 2kys h HIS 38 Cb 0.37 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 2kys h HIS 38 CO 0.00 1.19 0.16 -0.91 -0.00 0.00 0.00 177.93 178.37 2kys h ASN 39 N -0.54 0.62 -0.58 3.26 2.35 -1.24 -3.06 115.58 116.38 2kys h ASN 39 Ca -0.09 -0.18 0.17 0.00 -0.55 0.00 0.00 56.30 55.64 2kys h ASN 39 Cb 1.41 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 2kys h ASN 39 CO 0.10 0.63 0.43 0.44 -1.65 0.00 0.00 177.43 177.38 2kys h ASP 40 N 0.56 0.00 0.45 5.81 5.19 -1.51 -2.70 116.42 124.22 2kys h ASP 40 Ca 0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 2kys h ASP 40 Cb 0.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2kys h ASP 40 CO -0.01 0.00 -0.31 0.40 -3.12 0.00 0.00 179.24 176.20 2kys h ILE 41 N 0.00 0.00 0.00 0.35 1.08 -1.72 0.26 117.51 117.48 2kys h ILE 41 Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.75 2kys h ILE 41 Cb 1.12 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2kys h ILE 41 CO -0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 2kys n LEU 42 N -4.29 0.00 -0.03 1.44 4.77 -1.02 -2.42 117.00 115.45 2kys n LEU 42 Ca -0.09 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2kys n LEU 42 Cb 0.31 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2kys n LEU 42 CO 0.20 -0.07 0.35 0.18 -1.33 0.00 0.00 177.39 176.73 2kys n LEU 43 N -1.20 1.42 -4.62 2.23 4.32 -1.11 -5.03 117.00 113.02 2kys n LEU 43 Ca 0.11 -1.38 -0.30 0.00 -0.02 0.00 0.00 56.01 54.43 2kys n LEU 43 Cb 0.13 -0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.17 2kys n LEU 43 CO 0.14 0.35 0.65 0.00 -1.22 0.00 0.00 177.39 177.31 2kys s ALA 44 N -0.41 0.74 0.00 -1.18 0.00 0.06 -5.00 121.76 115.98 2kys s ALA 44 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2kys s ALA 44 Cb 0.01 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2kys s ALA 44 CO 0.01 -3.55 0.75 1.63 0.00 0.00 0.00 175.76 174.60 2kys n LYS 45 N -4.72 0.00 -4.35 0.00 4.76 -1.26 -4.95 118.16 107.64 2kys n LYS 45 Ca 0.14 0.49 -0.18 0.00 -2.87 0.00 0.00 58.31 55.89 2kys n LYS 45 Cb 0.60 -1.37 -0.10 0.00 -1.84 0.00 0.00 35.03 32.32 2kys n LYS 45 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kys s ASP 46 N -2.23 1.51 0.15 4.39 1.01 -1.26 -5.02 116.67 115.21 2kys s ASP 46 Ca 0.00 -1.44 -0.24 0.00 0.71 0.00 0.00 52.55 51.57 2kys s ASP 46 Cb 0.00 0.21 0.02 0.00 1.01 0.00 0.00 42.92 44.16 2kys s ASP 46 CO 0.00 -0.77 1.60 0.74 0.21 0.00 0.00 175.17 176.96 2kys h THR 47 N 2.27 0.26 -0.68 -1.27 2.02 -1.96 0.05 112.91 113.60 2kys h THR 47 Ca -0.37 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 2kys h THR 47 Cb 1.25 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2kys h THR 47 CO 0.59 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.59 2kys h THR 48 N -0.32 1.26 0.00 3.16 1.03 -2.01 -2.43 112.91 113.60 2kys h THR 48 Ca 0.13 -1.05 -0.02 0.00 -0.01 0.00 0.00 66.41 65.46 2kys h THR 48 Cb 0.54 0.63 -0.00 0.00 -1.07 0.00 0.00 68.15 68.24 2kys h THR 48 CO -0.45 0.39 -0.11 -0.08 -0.01 0.00 0.00 175.52 175.26 2kys h GLU 49 N 1.04 0.00 0.05 0.00 4.81 -1.90 -3.02 114.58 115.56 2kys h GLU 49 Ca 0.20 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2kys h GLU 49 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2kys h GLU 49 CO 0.01 0.11 -0.02 0.00 -0.73 0.00 0.00 179.01 178.38 2kys h ALA 50 N 1.89 -0.88 0.00 2.92 0.00 -0.49 -3.29 119.26 119.40 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 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kys h ALA 50 CO 0.01 -0.88 0.00 0.27 0.00 0.00 0.00 179.25 178.66 2kys h PHE 51 N -0.07 0.00 -1.15 0.00 -0.00 -1.63 -3.11 116.94 110.99 2kys h PHE 51 Ca -0.01 0.00 0.33 0.00 -0.00 0.00 0.00 57.97 58.29 2kys h PHE 51 Cb 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 35.95 2kys h PHE 51 CO 0.19 0.00 0.82 0.93 -0.00 0.00 0.00 178.31 180.25 2kys h GLU 52 N 0.00 0.03 0.00 6.09 4.39 -1.60 -0.06 114.58 123.43 2kys h GLU 52 Ca 0.00 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2kys h GLU 52 Cb 0.45 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2kys h GLU 52 CO 0.00 0.02 -1.80 0.36 -1.16 0.00 0.00 179.01 176.43 2kys n LYS 53 N -4.23 0.65 0.17 2.33 2.85 -1.17 -3.95 118.16 114.80 2kys n LYS 53 Ca 0.25 0.11 -0.14 0.00 -1.05 0.00 0.00 58.31 57.48 2kys n LYS 53 Cb 1.19 -1.69 -0.08 0.00 -0.65 0.00 0.00 35.03 33.80 2kys n LYS 53 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2kys h MET 54 N 0.00 -0.34 0.00 -1.58 4.05 -1.19 -2.48 114.93 113.39 2kys h MET 54 Ca -0.26 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 2kys h MET 54 Cb 1.74 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.62 2kys h MET 54 CO 0.04 -0.22 0.00 1.33 0.23 0.00 0.00 176.91 178.29 2kys n VAL 55 N -5.24 1.40 -0.16 -5.77 0.24 -0.83 -2.53 118.33 105.43 2kys n VAL 55 Ca -0.10 0.40 0.07 0.00 -2.04 0.00 0.00 64.34 62.68 2kys n VAL 55 Cb 0.17 -1.30 0.18 0.00 -1.47 0.00 0.00 33.84 31.42 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 -1.66 3.10 -0.03 -1.34 7.64 -0.95 -4.51 113.62 115.88 2kys n SER 56 Ca 0.01 -1.97 -0.05 0.00 1.01 0.00 0.00 58.87 57.88 2kys n SER 56 Cb 0.09 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.80 2.39 0.17 -3.43 -0.00 -1.05 -4.62 117.00 111.26 2kys n LEU 57 Ca 0.14 -0.01 0.08 0.00 -0.00 0.00 0.00 56.01 56.23 2kys n LEU 57 Cb 0.47 -0.21 0.59 0.00 -0.00 0.00 0.00 43.42 44.27 2kys n LEU 57 CO 0.10 0.49 1.10 0.17 -0.00 0.00 0.00 177.39 179.26 2kys h LEU 58 N -0.06 0.11 -0.17 1.47 -0.00 -1.79 0.18 115.31 115.06 2kys h LEU 58 Ca -0.15 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.51 2kys h LEU 58 Cb 1.20 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.84 2kys h LEU 58 CO -0.04 0.08 -0.84 -1.28 -0.00 0.00 0.00 178.44 176.36 2kys h SER 59 N 0.13 0.84 0.01 0.17 0.87 -1.86 -1.47 113.55 112.24 2kys h SER 59 Ca 0.07 -0.58 -0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2kys h SER 59 Cb 0.10 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2kys h SER 59 CO -0.01 1.37 -0.00 0.58 -0.53 0.00 0.00 176.83 178.24 2kys h VAL 60 N 0.45 1.01 0.93 2.23 2.07 -0.97 -0.30 116.25 121.65 2kys h VAL 60 Ca -0.07 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2kys h VAL 60 Cb 1.47 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2kys h VAL 60 CO 0.17 0.01 -0.44 -0.07 0.02 0.00 0.00 177.57 177.25 2kys h LEU 61 N -0.03 -1.05 -1.51 2.57 -0.00 -1.16 -3.16 115.31 110.98 2kys h LEU 61 Ca -0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2kys h LEU 61 Cb 0.03 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2kys h LEU 61 CO 0.00 -0.75 -0.25 -0.07 -0.00 0.00 0.00 178.44 177.37 2kys h LEU 62 N -1.25 0.00 -0.40 1.67 4.07 -1.25 0.17 115.31 118.32 2kys h LEU 62 Ca -0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.83 2kys h LEU 62 Cb 0.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2kys h LEU 62 CO 0.21 0.25 0.00 -0.24 -1.08 0.00 0.00 178.44 177.58 2kys n SER 63 N -4.16 0.34 0.00 -0.43 2.88 -0.13 -2.82 113.62 109.30 2kys n SER 63 Ca -0.02 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 2kys n SER 63 Cb 0.31 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.27 3.39 0.00 -1.46 0.00 -0.01 -5.02 117.12 113.75 2kys n MET 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2kys n MET 64 Cb 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 33.22 32.69 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 -0.59 0.00 0.00 3.17 10.64 -0.87 -5.09 117.38 124.64 2kys n GLN 65 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kys n GLN 65 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 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 2.65 0.82 3.90 2.61 0.00 -1.13 -5.04 105.19 109.00 2kys n GLY 66 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.38 3.01 0.00 4.61 0.00 -1.26 -5.03 121.76 122.71 2kys s ALA 67 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2kys s ALA 67 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2kys s ALA 67 CO 0.00 -1.10 0.00 1.33 0.00 0.00 0.00 175.76 175.99 2kys n VAL 68 N -2.91 0.00 1.79 0.00 0.24 -1.26 -4.78 118.33 111.41 2kys n VAL 68 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2kys n VAL 68 Cb 0.58 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 -2.16 0.15 0.30 -1.34 8.00 -1.26 -3.98 116.55 116.26 2kys n ASP 69 Ca 0.00 -1.94 0.19 0.00 0.71 0.00 0.00 54.79 53.75 2kys n ASP 69 Cb 0.35 -0.08 0.89 0.00 -0.02 0.00 0.00 41.12 42.26 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 0.04 0.00 0.53 6.09 -1.92 -0.39 117.51 121.86 2kys h ILE 70 Ca 0.00 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 2kys h ILE 70 Cb 0.08 1.32 0.00 0.00 0.47 0.00 0.00 36.82 38.68 2kys h ILE 70 CO 0.00 0.01 -0.43 0.59 -3.07 0.00 0.00 178.15 175.25 2kys n ASN 71 N -3.12 0.59 0.24 2.19 5.03 -1.26 -4.20 115.26 114.74 2kys n ASN 71 Ca -0.01 0.15 -0.10 0.00 0.87 0.00 0.00 54.58 55.49 2kys n ASN 71 Cb 0.22 -0.04 -0.05 0.00 -1.02 0.00 0.00 39.78 38.89 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 0.00 -0.63 -0.20 3.52 -0.00 -1.37 -2.79 114.38 112.92 2kys h ARG 72 Ca 0.00 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.58 2kys h ARG 72 Cb 0.66 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.76 2kys h ARG 72 CO 0.00 -0.42 0.15 1.37 0.00 0.00 0.00 179.97 181.07 2kys h LEU 73 N -1.02 0.00 0.07 3.04 -0.00 -1.77 -0.76 115.31 114.87 2kys h LEU 73 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2kys h LEU 73 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2kys h LEU 73 CO 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 178.44 178.51 2kys n GLU 75 N -5.10 0.03 0.00 0.00 -0.58 -0.37 -0.32 120.64 114.30 2kys n GLU 75 Ca -0.08 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kys n GLU 75 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2kys n GLU 75 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kys n GLU 76 N -1.48 0.00 0.26 3.49 4.71 -0.72 -4.43 120.64 122.46 2kys n GLU 76 Ca 0.06 0.36 0.09 0.00 -0.01 0.00 0.00 57.16 57.65 2kys n GLU 76 Cb 0.26 -1.07 0.65 0.00 -1.01 0.00 0.00 31.44 30.27 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 0.00 0.29 3.49 -0.00 -0.74 -2.85 114.93 115.13 2kys h MET 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2kys h MET 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kys h MET 77 CO 0.00 0.06 -0.14 1.25 -0.00 0.00 0.00 176.91 178.08 2kys h LEU 78 N 0.00 -0.33 -1.16 -0.10 5.85 -0.90 -2.55 115.31 116.12 2kys h LEU 78 Ca -0.00 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 2kys h LEU 78 Cb 0.12 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2kys h LEU 78 CO 0.01 0.06 -0.21 0.44 -0.34 0.00 0.00 178.44 178.40 2kys h ASP 79 N -0.78 0.32 0.27 1.25 3.32 -1.77 -2.73 116.42 116.31 2kys h ASP 79 Ca -0.04 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2kys h ASP 79 Cb 0.51 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2kys h ASP 79 CO 0.07 0.55 -0.07 0.78 -1.72 0.00 0.00 179.24 178.85 2kys h ASN 80 N 0.30 0.00 0.40 6.45 2.35 -1.37 -1.13 115.58 122.57 2kys h ASN 80 Ca 0.05 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.49 2kys h ASN 80 Cb 0.54 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 2kys h ASN 80 CO 0.04 0.07 -1.82 -2.11 -1.65 0.00 0.00 177.43 171.95 2kys n ARG 81 N -3.57 0.65 0.13 0.81 1.85 -0.97 -4.39 116.66 111.17 2kys n ARG 81 Ca -0.02 0.26 -0.00 0.00 -1.00 0.00 0.00 57.85 57.09 2kys n ARG 81 Cb 0.18 -1.75 0.27 0.00 -1.05 0.00 0.00 32.46 30.11 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kys h ALA 82 N 0.90 1.21 0.00 2.89 0.00 -1.02 -2.35 119.26 120.90 2kys h ALA 82 Ca -0.33 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2kys h ALA 82 Cb 2.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2kys h ALA 82 CO 0.07 0.55 0.00 -2.37 0.00 0.00 0.00 179.25 177.51 2kys n THR 83 N -4.04 1.10 1.57 0.00 5.66 -0.52 -1.84 114.28 116.22 2kys n THR 83 Ca -0.02 0.28 0.12 0.00 -3.05 0.00 0.00 64.05 61.38 2kys n THR 83 Cb 0.46 -1.06 0.53 0.00 -1.55 0.00 0.00 70.33 68.71 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 1.04 -0.23 1.09 4.77 -0.88 -5.13 117.00 116.17 2kys n LEU 84 Ca 0.03 -0.40 0.03 0.00 -0.03 0.00 0.00 56.01 55.64 2kys n LEU 84 Cb 0.14 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2kys n LEU 84 CO 0.12 0.20 0.34 0.00 -1.33 0.00 0.00 177.39 176.72