#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 0.00 0.00 1.61 -0.00 -1.26 -5.08 115.22 110.49 2kys n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kys n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kys n HIS 2 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kys n SER 3 N -0.10 0.00 -0.30 4.39 7.64 -1.26 -4.87 113.62 119.12 2kys n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kys n SER 3 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2kys n SER 3 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kys n LYS 4 N 0.00 -0.84 -1.72 1.43 -0.00 -1.26 -4.82 118.16 110.95 2kys n LYS 4 Ca 0.00 0.64 -0.32 0.00 -0.00 0.00 0.00 58.31 58.62 2kys n LYS 4 Cb 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 35.03 34.24 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys s MET 5 N -4.95 2.19 0.00 -1.58 0.00 -1.26 -4.80 119.30 108.90 2kys s MET 5 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 55.69 56.60 2kys s MET 5 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 34.83 30.22 2kys s MET 5 CO 0.00 -3.34 1.02 0.43 0.00 0.00 0.00 175.02 173.13 2kys n SER 6 N 15.41 2.94 -3.15 -1.18 7.64 -1.26 -4.79 113.62 129.23 2kys n SER 6 Ca 0.34 -1.77 -0.17 0.00 1.01 0.00 0.00 58.87 58.28 2kys n SER 6 Cb 0.52 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.82 -6.76 -2.17 6.43 9.92 -1.26 -4.30 116.55 119.23 2kys n ASP 7 Ca 0.00 0.38 -0.24 0.00 -0.53 0.00 0.00 54.79 54.40 2kys n ASP 7 Cb 0.41 -3.21 0.01 0.00 -0.64 0.00 0.00 41.12 37.70 2kys n ASP 7 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2kys n VAL 8 N 0.21 2.46 -0.74 2.53 0.24 -1.26 -4.21 118.33 117.55 2kys n VAL 8 Ca -0.00 -4.40 -0.15 0.00 -2.04 0.00 0.00 64.34 57.75 2kys n VAL 8 Cb 0.49 -1.14 0.04 0.00 -1.47 0.00 0.00 33.84 31.76 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 -0.64 1.73 0.00 7.34 0.00 -1.26 -4.88 118.16 120.45 2kys n LYS 9 Ca 0.42 -1.46 0.00 0.00 -0.00 0.00 0.00 58.31 57.27 2kys n LYS 9 Cb 0.88 -1.57 0.00 0.00 -0.00 0.00 0.00 35.03 34.34 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 0.00 0.00 -1.43 0.00 -2.24 -1.26 -4.80 114.28 104.55 2kys n THR 11 Ca 0.00 0.00 -0.59 0.00 -2.27 0.00 0.00 64.05 61.19 2kys n THR 11 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2kys n THR 11 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kys n SER 12 N -0.28 1.33 0.26 3.42 7.64 -1.26 -4.82 113.62 119.91 2kys n SER 12 Ca 0.00 0.75 0.11 0.00 1.01 0.00 0.00 58.87 60.73 2kys n SER 12 Cb 0.00 -1.01 0.57 0.00 -1.01 0.00 0.00 64.21 62.76 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 6.50 0.00 -0.82 0.44 -1.51 -1.99 -1.94 116.25 116.92 2kys h VAL 13 Ca -0.24 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.43 2kys h VAL 13 Cb 1.38 0.46 -0.15 0.00 -2.13 0.00 0.00 31.29 30.86 2kys h VAL 13 CO 1.04 0.00 -0.01 0.58 -1.23 0.00 0.00 177.57 177.95 2kys h VAL 14 N 0.00 0.25 0.13 7.19 2.07 -1.99 0.32 116.25 124.21 2kys h VAL 14 Ca 0.00 -0.03 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 2kys h VAL 14 Cb 0.72 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2kys h VAL 14 CO 0.00 0.01 -1.09 0.17 0.02 0.00 0.00 177.57 176.68 2kys h LEU 15 N 0.08 0.42 -0.71 2.57 -0.00 -1.71 -3.35 115.31 112.61 2kys h LEU 15 Ca 0.46 -0.90 0.06 0.00 -0.00 0.00 0.00 57.88 57.50 2kys h LEU 15 Cb 0.83 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.30 2kys h LEU 15 CO -0.75 1.50 0.40 -0.07 -0.00 0.00 0.00 178.44 179.52 2kys h LEU 16 N -0.35 0.61 -2.30 0.17 -0.00 -1.56 -2.20 115.31 109.67 2kys h LEU 16 Ca -0.22 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.71 2kys h LEU 16 Cb 1.69 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 42.25 2kys h LEU 16 CO 0.10 0.39 0.07 -1.28 -0.00 0.00 0.00 178.44 177.72 2kys h SER 17 N 0.74 0.00 -0.66 -0.43 0.87 -1.08 -0.12 113.55 112.87 2kys h SER 17 Ca 0.32 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 2kys h SER 17 Cb 0.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2kys h SER 17 CO -0.18 0.00 0.17 0.58 -0.53 0.00 0.00 176.83 176.87 2kys h VAL 18 N 0.00 1.26 0.19 2.23 2.07 -1.53 0.25 116.25 120.71 2kys h VAL 18 Ca 0.03 -0.93 -0.34 0.00 0.82 0.00 0.00 66.70 66.28 2kys h VAL 18 Cb 0.18 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2kys h VAL 18 CO -0.00 0.36 -1.65 -0.07 0.02 0.00 0.00 177.57 176.23 2kys h LEU 19 N 1.02 0.62 -0.87 2.57 -0.00 -1.19 -3.31 115.31 114.15 2kys h LEU 19 Ca 0.22 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 57.17 2kys h LEU 19 Cb 0.35 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2kys h LEU 19 CO 0.00 1.75 0.00 1.56 -0.00 0.00 0.00 178.44 181.75 2kys h GLN 20 N 0.04 0.00 -0.83 1.13 4.20 -1.13 -2.10 115.11 116.43 2kys h GLN 20 Ca -0.32 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.48 2kys h GLN 20 Cb 2.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.77 2kys h GLN 20 CO 0.18 0.00 0.54 1.96 -0.67 0.00 0.00 178.83 180.83 2kys h GLN 21 N 0.00 0.75 0.00 1.46 4.20 -1.03 -3.40 115.11 117.10 2kys h GLN 21 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2kys h GLN 21 Cb 0.34 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2kys h GLN 21 CO 0.00 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.94 2kys n LEU 22 N -4.51 0.22 0.00 1.46 7.99 -0.79 -5.05 117.00 116.32 2kys n LEU 22 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 2kys n LEU 22 Cb 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 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 -0.50 0.00 -1.52 3.23 -4.01 -1.21 -5.16 116.66 107.50 2kys n ARG 23 Ca 0.00 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.42 2kys n ARG 23 Cb 0.00 0.00 0.03 0.00 -3.04 0.00 0.00 32.46 29.45 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 0.00 2.47 -3.37 8.89 3.14 -1.23 -4.95 118.33 123.29 2kys n VAL 24 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 2kys n VAL 24 Cb 0.00 -0.82 -0.09 0.00 -1.06 0.00 0.00 33.84 31.87 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 -2.11 3.31 0.28 1.45 2.02 -1.26 -4.94 118.70 117.45 2kys s GLU 25 Ca 0.68 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 55.08 2kys s GLU 25 Cb -0.48 -3.89 0.65 0.00 0.10 0.00 0.00 34.13 30.51 2kys s GLU 25 CO 0.54 -0.69 1.73 1.03 0.02 0.00 0.00 175.26 177.88 2kys h SER 26 N 8.60 0.43 -0.00 -0.19 0.87 -2.01 -1.77 113.55 119.48 2kys h SER 26 Ca -0.28 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2kys h SER 26 Cb 1.13 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2kys h SER 26 CO 0.74 0.10 0.00 -1.54 -0.53 0.00 0.00 176.83 175.60 2kys n SER 27 N -4.96 5.24 -4.02 6.23 3.41 -1.26 -4.65 113.62 113.60 2kys n SER 27 Ca 0.20 -2.39 -0.10 0.00 -0.26 0.00 0.00 58.87 56.32 2kys n SER 27 Cb 0.57 -1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.31 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 1.94 0.46 0.65 4.04 0.15 -0.66 -5.02 113.70 115.25 2kys s SER 28 Ca 0.00 -0.59 0.31 0.00 0.70 0.00 0.00 55.95 56.37 2kys s SER 28 Cb 0.00 0.09 1.67 0.00 -1.71 0.00 0.00 66.02 66.07 2kys s SER 28 CO -0.00 -0.31 1.96 0.07 1.20 0.00 0.00 173.24 176.16 2kys h LYS 29 N 4.39 0.00 -0.83 5.44 5.09 -1.84 -3.07 116.57 125.75 2kys h LYS 29 Ca -0.33 0.00 0.10 0.00 0.09 0.00 0.00 60.65 60.51 2kys h LYS 29 Cb 1.20 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 33.45 2kys h LYS 29 CO 0.44 0.00 0.47 1.25 -2.09 0.00 0.00 179.45 179.52 2kys h LEU 30 N 0.00 0.65 -0.44 7.07 7.12 -1.91 0.34 115.31 128.13 2kys h LEU 30 Ca 0.04 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.17 2kys h LEU 30 Cb 0.68 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.68 2kys h LEU 30 CO -0.00 0.36 0.08 -0.25 -0.13 0.00 0.00 178.44 178.51 2kys h TRP 31 N 0.77 0.14 0.07 1.25 7.01 -1.71 -3.24 115.95 120.24 2kys h TRP 31 Ca 0.40 0.03 -0.26 0.00 2.11 0.00 0.00 58.89 61.17 2kys h TRP 31 Cb 0.40 0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2kys h TRP 31 CO -0.06 0.00 -1.11 0.00 -2.79 0.00 0.00 178.44 174.48 2kys h ALA 32 N 1.34 0.19 -0.91 2.65 0.00 -0.87 -2.99 119.26 118.67 2kys h ALA 32 Ca 0.22 -0.77 0.25 0.00 0.00 0.00 0.00 54.91 54.61 2kys h ALA 32 Cb 0.28 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.94 2kys h ALA 32 CO -0.29 0.82 0.18 1.96 0.00 0.00 0.00 179.25 181.91 2kys h GLN 33 N 0.20 0.12 -0.01 0.00 1.08 -0.52 0.29 115.11 116.29 2kys h GLN 33 Ca -0.13 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2kys h GLN 33 Cb 1.78 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 2kys h GLN 33 CO 0.20 0.08 -0.01 0.00 -0.95 0.00 0.00 178.83 178.14 2kys h VAL 35 N -0.56 1.26 -0.15 0.00 2.07 -1.48 -2.80 116.25 114.58 2kys h VAL 35 Ca -0.00 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 2kys h VAL 35 Cb 0.60 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2kys h VAL 35 CO 0.00 0.32 -0.39 0.06 0.02 0.00 0.00 177.57 177.59 2kys h GLN 36 N 1.19 0.53 -0.20 1.57 -0.00 -0.97 -3.08 115.11 114.16 2kys h GLN 36 Ca 0.28 -0.37 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2kys h GLN 36 Cb 0.15 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.68 2kys h GLN 36 CO -0.03 0.98 0.14 -0.07 -0.00 0.00 0.00 178.83 179.85 2kys h LEU 37 N 0.16 0.20 -0.23 0.06 3.38 -1.39 -2.42 115.31 115.07 2kys h LEU 37 Ca -0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kys h LEU 37 Cb 1.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2kys h LEU 37 CO 0.08 0.14 -0.00 -0.74 0.09 0.00 0.00 178.44 178.01 2kys h HIS 38 N 0.23 -0.01 -0.46 1.13 2.76 -1.40 -2.76 115.15 114.63 2kys h HIS 38 Ca 0.08 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2kys h HIS 38 Cb 0.04 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 2kys h HIS 38 CO -0.00 -0.04 0.26 -0.91 -1.30 0.00 0.00 177.93 175.95 2kys h ASN 39 N 0.07 0.41 0.22 3.26 2.35 -1.51 -3.03 115.58 117.36 2kys h ASN 39 Ca 0.11 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2kys h ASN 39 Cb 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2kys h ASN 39 CO -0.18 0.29 0.00 0.47 -1.65 0.00 0.00 177.43 176.36 2kys n ASP 40 N -4.85 0.00 -0.03 5.81 8.00 -1.04 -0.80 116.55 123.63 2kys n ASP 40 Ca 0.03 0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 2kys n ASP 40 Cb 0.08 -0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.65 0.00 0.53 1.08 -1.54 -3.15 117.51 116.07 2kys h ILE 41 Ca 0.00 -2.19 -0.06 0.00 -0.39 0.00 0.00 64.86 62.22 2kys h ILE 41 Cb 0.11 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 2kys h ILE 41 CO 0.00 0.59 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.70 2kys h LEU 42 N -0.70 0.00 -1.20 1.44 3.38 -1.10 -2.85 115.31 114.27 2kys h LEU 42 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kys h LEU 42 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kys h LEU 42 CO 0.04 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.03 2kys n LEU 43 N -3.39 1.84 -4.58 1.67 4.77 -0.66 -4.99 117.00 111.65 2kys n LEU 43 Ca 0.00 -0.69 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 2kys n LEU 43 Cb 0.48 -0.06 0.25 0.00 -2.33 0.00 0.00 43.42 41.76 2kys n LEU 43 CO 0.35 0.34 0.62 0.00 -1.33 0.00 0.00 177.39 177.37 2kys s ALA 44 N -1.89 0.57 0.00 -1.18 0.00 -1.08 -5.01 121.76 113.17 2kys s ALA 44 Ca 0.35 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kys s ALA 44 Cb 0.20 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2kys s ALA 44 CO 0.30 -3.68 0.02 1.63 0.00 0.00 0.00 175.76 174.02 2kys n LYS 45 N -4.84 0.00 -3.48 0.00 4.76 -1.26 -4.99 118.16 108.35 2kys n LYS 45 Ca 0.14 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.35 2kys n LYS 45 Cb 0.60 -0.23 0.03 0.00 -1.84 0.00 0.00 35.03 33.58 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 -1.08 4.83 0.07 4.39 1.01 -1.26 -4.91 116.67 119.71 2kys s ASP 46 Ca 0.00 -1.09 -0.36 0.00 0.71 0.00 0.00 52.55 51.82 2kys s ASP 46 Cb 0.00 0.44 -0.19 0.00 1.01 0.00 0.00 42.92 44.18 2kys s ASP 46 CO 0.00 -1.27 1.59 0.74 0.21 0.00 0.00 175.17 176.44 2kys h THR 47 N 0.43 0.10 -0.38 -1.27 2.02 -1.98 -0.45 112.91 111.40 2kys h THR 47 Ca -0.33 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.91 2kys h THR 47 Cb 1.30 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2kys h THR 47 CO 0.49 0.00 0.10 0.00 0.37 0.00 0.00 175.52 176.48 2kys h THR 48 N -1.12 0.84 0.00 3.16 1.03 -2.00 -1.72 112.91 113.10 2kys h THR 48 Ca -0.10 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 2kys h THR 48 Cb 0.90 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2kys h THR 48 CO 0.12 0.04 0.00 -0.08 -0.01 0.00 0.00 175.52 175.59 2kys h GLU 49 N 0.23 0.00 0.02 0.00 4.57 -1.94 0.50 114.58 117.96 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 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2kys h GLU 49 CO -0.21 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 177.61 2kys h ALA 50 N 2.05 -0.81 0.00 2.92 0.00 -0.15 -3.35 119.26 119.92 2kys h ALA 50 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kys h ALA 50 Cb 0.58 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kys h ALA 50 CO 0.00 -0.81 -0.08 0.27 0.00 0.00 0.00 179.25 178.63 2kys h PHE 51 N -0.03 0.00 -1.01 0.00 -0.00 -1.16 -3.13 116.94 111.62 2kys h PHE 51 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 57.97 58.20 2kys h PHE 51 Cb 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 35.87 2kys h PHE 51 CO 0.18 0.08 0.62 0.93 -0.00 0.00 0.00 178.31 180.12 2kys h GLU 52 N 0.00 0.55 0.00 6.09 4.39 -1.04 -0.66 114.58 123.91 2kys h GLU 52 Ca -0.00 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 2kys h GLU 52 Cb 0.65 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2kys h GLU 52 CO 0.01 0.36 -0.97 1.57 -1.16 0.00 0.00 179.01 178.82 2kys h LYS 53 N 0.56 0.00 -0.50 2.33 2.10 -1.70 -2.91 116.57 116.45 2kys h LYS 53 Ca 0.59 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.15 2kys h LYS 53 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2kys h LYS 53 CO -0.36 0.68 -0.03 0.00 -2.00 0.00 0.00 179.45 177.74 2kys h MET 54 N 0.00 0.87 0.00 0.07 -0.00 -1.31 -2.08 114.93 112.47 2kys h MET 54 Ca -0.06 -0.26 -0.01 0.00 -0.00 0.00 0.00 59.70 59.37 2kys h MET 54 Cb 1.65 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 33.16 2kys h MET 54 CO 0.09 0.88 -0.03 0.28 -0.00 0.00 0.00 176.91 178.14 2kys h VAL 55 N 0.80 0.77 0.00 -0.10 2.07 -1.22 0.79 116.25 119.35 2kys h VAL 55 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2kys h VAL 55 Cb 0.52 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2kys h VAL 55 CO 0.03 0.03 0.00 -1.20 0.02 0.00 0.00 177.57 176.44 2kys n SER 56 N -4.14 0.00 -0.01 0.57 7.64 -0.79 -3.73 113.62 113.16 2kys n SER 56 Ca -0.03 -0.53 -0.00 0.00 1.01 0.00 0.00 58.87 59.32 2kys n SER 56 Cb 0.11 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.09 0.00 0.00 -3.43 -0.00 0.24 -4.60 117.00 108.13 2kys n LEU 57 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.19 2kys n LEU 57 Cb 0.11 0.07 0.12 0.00 -0.00 0.00 0.00 43.42 43.72 2kys n LEU 57 CO 0.15 0.07 0.31 0.00 -0.00 0.00 0.00 177.39 177.92 2kys n LEU 58 N -1.96 0.00 0.01 1.47 -0.00 -1.03 -2.67 117.00 112.81 2kys n LEU 58 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2kys n LEU 58 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2kys n LEU 58 CO 0.11 0.00 -0.34 -1.20 -0.00 0.00 0.00 177.39 175.95 2kys n SER 59 N -0.85 0.14 -0.28 1.45 7.64 -1.26 -4.55 113.62 115.91 2kys n SER 59 Ca 0.03 0.03 0.28 0.00 1.01 0.00 0.00 58.87 60.23 2kys n SER 59 Cb 0.01 -0.03 0.64 0.00 -1.01 0.00 0.00 64.21 63.83 2kys n SER 59 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2kys h VAL 60 N 0.00 0.50 0.09 0.44 3.04 -1.76 0.86 116.25 119.42 2kys h VAL 60 Ca 0.00 -0.06 -0.33 0.00 -1.01 0.00 0.00 66.70 65.30 2kys h VAL 60 Cb 0.69 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2kys h VAL 60 CO 0.00 0.03 -1.81 0.18 -1.01 0.00 0.00 177.57 174.96 2kys n LEU 61 N -4.38 2.41 -0.03 3.16 4.77 -1.21 -3.70 117.00 118.03 2kys n LEU 61 Ca 0.23 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.45 2kys n LEU 61 Cb 1.01 -1.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.25 2kys n LEU 61 CO 0.34 0.69 0.85 -0.07 -1.33 0.00 0.00 177.39 177.87 2kys h LEU 62 N -0.25 0.57 -1.01 2.23 3.38 -1.50 0.17 115.31 118.90 2kys h LEU 62 Ca -0.41 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kys h LEU 62 Cb 1.82 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2kys h LEU 62 CO -0.01 0.70 0.00 -0.24 0.09 0.00 0.00 178.44 178.98 2kys n SER 63 N -4.20 1.08 0.00 -0.43 2.88 0.19 -2.17 113.62 110.97 2kys n SER 63 Ca 0.01 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 2kys n SER 63 Cb 0.32 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.02 2.05 0.00 -1.46 0.00 0.44 -5.00 117.12 113.13 2kys n MET 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2kys n MET 64 Cb 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 33.22 32.61 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 -1.28 2.70 -2.03 3.17 10.64 -0.17 -5.10 117.38 125.31 2kys n GLN 65 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 2kys n GLN 65 Cb 0.13 -0.52 0.01 0.00 -0.86 0.00 0.00 30.24 29.00 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 0.37 0.44 3.99 2.61 0.00 -0.92 -4.99 105.19 106.69 2kys n GLY 66 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.05 4.16 0.00 4.61 0.00 -1.26 -5.02 121.76 121.21 2kys s ALA 67 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2kys s ALA 67 Cb -0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2kys s ALA 67 CO 0.09 -0.62 0.00 1.33 0.00 0.00 0.00 175.76 176.56 2kys n VAL 68 N -2.18 0.00 1.18 0.00 0.24 -1.26 -4.83 118.33 111.49 2kys n VAL 68 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2kys n VAL 68 Cb 0.60 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.24 0.48 0.23 -1.34 8.00 -1.26 -4.18 116.55 116.24 2kys n ASP 69 Ca 0.00 -1.66 0.06 0.00 0.71 0.00 0.00 54.79 53.90 2kys n ASP 69 Cb 0.47 -0.24 0.53 0.00 -0.02 0.00 0.00 41.12 41.86 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 1.07 -0.00 0.53 6.09 -1.94 -1.19 117.51 122.06 2kys h ILE 70 Ca 0.00 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 2kys h ILE 70 Cb 0.24 1.33 0.00 0.00 0.47 0.00 0.00 36.82 38.86 2kys h ILE 70 CO 0.00 0.17 -0.35 0.59 -3.07 0.00 0.00 178.15 175.49 2kys n ASN 71 N -4.26 0.81 0.27 2.19 5.03 -1.26 -4.14 115.26 113.89 2kys n ASN 71 Ca -0.02 -0.63 -0.12 0.00 0.87 0.00 0.00 54.58 54.67 2kys n ASN 71 Cb 0.24 0.17 -0.06 0.00 -1.02 0.00 0.00 39.78 39.11 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 0.72 -0.70 0.00 3.52 -0.00 -1.53 -3.21 114.38 113.18 2kys h ARG 72 Ca 0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 2kys h ARG 72 Cb 0.50 0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.63 2kys h ARG 72 CO 0.00 -0.43 -0.00 1.37 0.00 0.00 0.00 179.97 180.91 2kys h LEU 73 N -1.14 0.00 0.61 3.04 -0.00 -1.73 -2.23 115.31 113.86 2kys h LEU 73 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2kys h LEU 73 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2kys h LEU 73 CO 0.12 0.00 -0.38 0.00 -0.00 0.00 0.00 178.44 178.18 2kys h GLU 75 N -0.94 0.00 0.06 0.00 5.08 -1.43 -2.03 114.58 115.32 2kys h GLU 75 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2kys h GLU 75 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kys h GLU 75 CO 0.07 0.00 -0.03 1.49 -1.00 0.00 0.00 179.01 179.54 2kys h GLU 76 N 0.00 -0.08 0.00 2.33 4.57 -1.40 -3.26 114.58 116.75 2kys h GLU 76 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2kys h GLU 76 Cb 0.31 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2kys h GLU 76 CO 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 179.01 177.78 2kys h MET 77 N -0.17 0.00 0.16 1.92 -0.00 -1.13 0.50 114.93 116.21 2kys h MET 77 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2kys h MET 77 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 2kys h MET 77 CO 0.01 0.00 -0.08 -0.07 -0.00 0.00 0.00 176.91 176.78 2kys h LEU 78 N 0.00 -0.18 -0.99 -0.10 3.38 -1.59 -3.27 115.31 112.55 2kys h LEU 78 Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2kys h LEU 78 Cb 0.73 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2kys h LEU 78 CO 0.00 0.14 0.50 -0.78 0.09 0.00 0.00 178.44 178.39 2kys h ASP 79 N -0.52 1.07 0.36 -0.43 3.58 -1.16 -1.52 116.42 117.81 2kys h ASP 79 Ca -0.02 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kys h ASP 79 Cb 0.40 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2kys h ASP 79 CO 0.04 0.84 0.00 0.78 -2.88 0.00 0.00 179.24 178.02 2kys h ASN 80 N 1.22 0.00 0.11 2.28 2.35 -1.08 0.13 115.58 120.59 2kys h ASN 80 Ca 0.31 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.73 2kys h ASN 80 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2kys h ASN 80 CO -0.05 0.00 -1.78 0.08 -1.65 0.00 0.00 177.43 174.03 2kys h ARG 81 N 0.00 0.22 -0.21 0.81 0.11 -1.36 -3.41 114.38 110.54 2kys h ARG 81 Ca 0.00 -0.38 -0.03 0.00 0.10 0.00 0.00 59.98 59.67 2kys h ARG 81 Cb 0.18 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 2kys h ARG 81 CO 0.00 1.18 -0.01 0.00 0.10 0.00 0.00 179.97 181.24 2kys h ALA 82 N -0.05 1.59 0.00 0.08 0.00 -0.35 -3.09 119.26 117.45 2kys h ALA 82 Ca -0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2kys h ALA 82 Cb 1.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2kys h ALA 82 CO 0.03 0.30 -0.22 0.00 0.00 0.00 0.00 179.25 179.37 2kys h THR 83 N 0.31 0.77 -0.03 0.00 1.03 -1.03 -2.35 112.91 111.61 2kys h THR 83 Ca 0.07 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.60 2kys h THR 83 Cb 0.23 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2kys h THR 83 CO 0.01 0.21 0.00 0.18 -0.01 0.00 0.00 175.52 175.91 2kys n LEU 84 N -3.73 0.56 -0.74 0.00 4.77 -1.17 -5.13 117.00 111.56 2kys n LEU 84 Ca -0.01 -0.21 0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2kys n LEU 84 Cb 0.33 -0.02 0.29 0.00 -2.33 0.00 0.00 43.42 41.70 2kys n LEU 84 CO 0.33 0.10 0.74 0.00 -1.33 0.00 0.00 177.39 177.24