#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 1.41 0.00 1.61 0.00 -1.26 -5.10 115.29 111.95 2kys s HIS 2 Ca 0.00 -0.66 0.00 0.00 -3.00 0.00 0.00 55.06 51.40 2kys s HIS 2 Cb 0.00 -0.70 0.00 0.00 -4.00 0.00 0.00 32.58 27.88 2kys s HIS 2 CO 0.00 0.17 0.13 0.43 -1.00 0.00 0.00 174.74 174.47 2kys n SER 3 N -0.09 0.00 -0.80 7.38 7.64 -1.26 -5.11 113.62 121.38 2kys n SER 3 Ca -0.11 0.19 0.06 0.00 1.01 0.00 0.00 58.87 60.02 2kys n SER 3 Cb 0.60 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.72 -1.02 -3.92 1.43 -0.00 -1.26 -5.11 118.16 107.56 2kys n LYS 4 Ca 0.00 0.79 -0.08 0.00 -0.00 0.00 0.00 58.31 59.02 2kys n LYS 4 Cb 0.00 -1.55 -0.04 0.00 -0.00 0.00 0.00 35.03 33.44 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 -3.85 1.64 -0.47 -1.58 0.23 -1.26 -5.10 119.30 108.90 2kys s MET 5 Ca 0.00 -1.11 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 2kys s MET 5 Cb 0.00 0.53 0.39 0.00 -1.53 0.00 0.00 34.83 34.22 2kys s MET 5 CO 0.00 -0.71 1.02 0.43 -2.03 0.00 0.00 175.02 173.72 2kys n SER 6 N -0.41 4.09 -3.18 -1.18 7.64 -1.26 -4.92 113.62 114.39 2kys n SER 6 Ca -0.03 -3.57 -0.16 0.00 1.01 0.00 0.00 58.87 56.11 2kys n SER 6 Cb 0.61 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.31 -2.72 -3.85 6.43 9.92 -1.26 -4.83 116.55 119.93 2kys n ASP 7 Ca 0.33 -0.54 -0.42 0.00 -0.53 0.00 0.00 54.79 53.62 2kys n ASP 7 Cb 0.58 -4.61 0.01 0.00 -0.64 0.00 0.00 41.12 36.45 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 -3.96 4.61 -0.98 2.53 0.24 -1.26 -4.65 118.33 114.85 2kys n VAL 8 Ca -0.21 -4.66 0.09 0.00 -2.04 0.00 0.00 64.34 57.51 2kys n VAL 8 Cb 0.63 -2.28 0.24 0.00 -1.47 0.00 0.00 33.84 30.97 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 3.21 2.70 -0.69 7.34 2.85 -1.26 -5.04 118.16 127.27 2kys n LYS 9 Ca 0.39 -2.78 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 2kys n LYS 9 Cb 0.35 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 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 -1.47 0.40 -3.74 0.00 -2.24 -1.26 -5.09 114.28 100.87 2kys n THR 11 Ca 0.00 0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.86 2kys n THR 11 Cb 0.11 -1.35 -0.11 0.00 -2.10 0.00 0.00 70.33 66.87 2kys n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kys s SER 12 N -5.08 -0.36 0.59 3.42 0.01 -1.26 -5.06 113.70 105.96 2kys s SER 12 Ca -0.03 0.67 0.39 0.00 1.31 0.00 0.00 55.95 58.30 2kys s SER 12 Cb 0.00 0.62 1.93 0.00 0.21 0.00 0.00 66.02 68.78 2kys s SER 12 CO 0.04 -0.15 2.17 -0.37 0.41 0.00 0.00 173.24 175.34 2kys h VAL 13 N 5.18 0.00 -0.15 3.43 -1.51 -1.99 -2.98 116.25 118.24 2kys h VAL 13 Ca -0.33 -0.19 0.04 0.00 -1.23 0.00 0.00 66.70 64.99 2kys h VAL 13 Cb 1.18 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 2kys h VAL 13 CO 0.32 0.00 0.57 1.62 -1.23 0.00 0.00 177.57 178.85 2kys h VAL 14 N 0.00 0.06 0.00 7.19 3.04 -1.98 0.15 116.25 124.71 2kys h VAL 14 Ca 0.00 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.41 2kys h VAL 14 Cb 0.20 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 29.89 2kys h VAL 14 CO 0.00 0.00 -1.97 0.00 -1.01 0.00 0.00 177.57 174.59 2kys n LEU 15 N -2.97 1.97 -0.35 3.16 -0.00 -1.13 -3.77 117.00 113.91 2kys n LEU 15 Ca 0.02 0.09 -0.02 0.00 -0.00 0.00 0.00 56.01 56.10 2kys n LEU 15 Cb 0.65 -0.55 0.13 0.00 -0.00 0.00 0.00 43.42 43.66 2kys n LEU 15 CO 0.13 0.54 1.29 -0.07 -0.00 0.00 0.00 177.39 179.28 2kys h LEU 16 N -0.37 1.11 -0.57 1.47 -0.00 -1.38 -2.19 115.31 113.37 2kys h LEU 16 Ca -0.42 -0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.50 2kys h LEU 16 Cb 1.47 -0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 41.79 2kys h LEU 16 CO -0.18 0.80 0.26 -1.28 -0.00 0.00 0.00 178.44 178.04 2kys h SER 17 N 1.31 0.32 0.01 -0.43 0.87 -1.03 -0.98 113.55 113.62 2kys h SER 17 Ca 0.35 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2kys h SER 17 Cb -0.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2kys h SER 17 CO -0.08 0.21 -0.00 0.58 -0.53 0.00 0.00 176.83 177.01 2kys h VAL 18 N 0.48 0.25 0.00 2.23 2.07 -1.60 0.15 116.25 119.83 2kys h VAL 18 Ca 0.27 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 67.56 2kys h VAL 18 Cb 0.25 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2kys h VAL 18 CO -0.23 0.00 -1.21 -0.07 0.02 0.00 0.00 177.57 176.08 2kys h LEU 19 N 0.00 0.00 -0.96 2.57 4.07 -1.18 -3.38 115.31 116.42 2kys h LEU 19 Ca -0.00 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.45 2kys h LEU 19 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kys h LEU 19 CO 0.00 1.46 0.00 0.06 -1.08 0.00 0.00 178.44 178.88 2kys h GLN 20 N -1.00 0.00 0.00 1.13 3.07 -0.88 -2.57 115.11 114.86 2kys h GLN 20 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 2kys h GLN 20 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2kys h GLN 20 CO -0.20 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.72 2kys n GLN 21 N -2.63 0.05 0.00 0.06 10.64 0.49 -4.37 117.38 121.62 2kys n GLN 21 Ca 0.02 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 2kys n GLN 21 Cb 0.28 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 2kys n GLN 21 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kys n LEU 22 N -1.70 0.00 -0.30 2.61 7.99 -0.97 -5.08 117.00 119.55 2kys n LEU 22 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2kys n LEU 22 Cb 0.13 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2kys n LEU 22 CO 0.11 0.00 0.01 -2.11 -1.51 0.00 0.00 177.39 173.90 2kys n ARG 23 N -0.47 0.00 -0.83 3.23 -4.01 -1.19 -5.16 116.66 108.23 2kys n ARG 23 Ca 0.00 -0.03 -0.33 0.00 -1.04 0.00 0.00 57.85 56.45 2kys n ARG 23 Cb 0.00 0.27 0.12 0.00 -3.04 0.00 0.00 32.46 29.81 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 0.12 -4.11 8.89 3.14 -1.20 -5.03 118.33 120.14 2kys n VAL 24 Ca -0.01 -0.21 -0.33 0.00 -2.96 0.00 0.00 64.34 60.83 2kys n VAL 24 Cb 0.16 -0.62 -0.16 0.00 -1.06 0.00 0.00 33.84 32.16 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 -3.55 2.86 0.49 1.45 2.02 -1.26 -4.98 118.70 115.73 2kys s GLU 25 Ca 0.57 -0.89 0.27 0.00 0.02 0.00 0.00 54.97 54.95 2kys s GLU 25 Cb -0.22 -2.60 1.22 0.00 0.10 0.00 0.00 34.13 32.64 2kys s GLU 25 CO 0.67 -0.26 1.95 0.66 0.02 0.00 0.00 175.26 178.30 2kys h SER 26 N 7.92 0.00 0.00 -0.19 4.64 -1.99 -2.70 113.55 121.23 2kys h SER 26 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2kys h SER 26 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kys h SER 26 CO 0.61 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 175.18 2kys n SER 27 N -3.41 0.00 -4.46 4.97 3.41 -1.26 -4.76 113.62 108.12 2kys n SER 27 Ca -0.01 -0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 57.79 2kys n SER 27 Cb 0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 2kys n SER 27 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kys s SER 28 N -1.90 3.38 0.61 4.04 0.01 -1.02 -5.02 113.70 113.80 2kys s SER 28 Ca 0.19 -1.06 0.33 0.00 1.31 0.00 0.00 55.95 56.71 2kys s SER 28 Cb 0.09 -0.27 1.91 0.00 0.21 0.00 0.00 66.02 67.96 2kys s SER 28 CO 0.14 -0.05 2.23 0.07 0.41 0.00 0.00 173.24 176.04 2kys h LYS 29 N 2.29 0.00 -0.03 12.44 5.09 -1.86 -3.27 116.57 131.23 2kys h LYS 29 Ca -0.40 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.36 2kys h LYS 29 Cb 1.25 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.56 2kys h LYS 29 CO 0.62 0.00 -0.05 1.25 -2.09 0.00 0.00 179.45 179.18 2kys h LEU 30 N 0.00 -0.16 -0.91 7.07 7.12 -1.93 0.21 115.31 126.71 2kys h LEU 30 Ca 0.02 0.03 0.22 0.00 0.13 0.00 0.00 57.88 58.29 2kys h LEU 30 Cb 0.16 0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 40.24 2kys h LEU 30 CO -0.00 -0.08 0.42 -0.25 -0.13 0.00 0.00 178.44 178.40 2kys h TRP 31 N -0.08 0.70 0.03 1.25 7.01 -1.70 -2.44 115.95 120.71 2kys h TRP 31 Ca 0.03 0.04 -0.21 0.00 2.11 0.00 0.00 58.89 60.86 2kys h TRP 31 Cb 0.13 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 2kys h TRP 31 CO -0.14 -0.03 -0.99 0.00 -2.79 0.00 0.00 178.44 174.48 2kys h ALA 32 N 1.71 0.39 -1.13 2.65 0.00 -1.01 -2.80 119.26 119.07 2kys h ALA 32 Ca 0.57 -0.83 0.34 0.00 0.00 0.00 0.00 54.91 54.99 2kys h ALA 32 Cb 1.09 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2kys h ALA 32 CO -0.52 1.08 0.70 1.96 0.00 0.00 0.00 179.25 182.46 2kys h GLN 33 N 0.04 0.25 0.04 0.00 1.08 -0.21 -1.13 115.11 115.19 2kys h GLN 33 Ca -0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2kys h GLN 33 Cb 1.70 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 2kys h GLN 33 CO 0.14 0.17 -0.02 0.00 -0.95 0.00 0.00 178.83 178.17 2kys h VAL 35 N -0.78 0.91 0.00 0.00 2.07 -1.18 0.84 116.25 118.12 2kys h VAL 35 Ca -0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2kys h VAL 35 Cb 0.04 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2kys h VAL 35 CO 0.01 0.15 -0.43 0.06 0.02 0.00 0.00 177.57 177.38 2kys h GLN 36 N 0.80 0.00 0.00 1.57 -0.00 -1.44 -3.19 115.11 112.85 2kys h GLN 36 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 2kys h GLN 36 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2kys h GLN 36 CO -0.25 0.43 -0.66 -0.11 -0.00 0.00 0.00 178.83 178.24 2kys n LEU 37 N -3.62 0.67 0.24 0.06 7.94 0.16 -3.30 117.00 119.15 2kys n LEU 37 Ca -0.01 0.18 -0.15 0.00 -1.11 0.00 0.00 56.01 54.93 2kys n LEU 37 Cb 0.53 -0.18 -0.08 0.00 0.53 0.00 0.00 43.42 44.21 2kys n LEU 37 CO 0.38 -0.03 0.59 -0.74 -1.11 0.00 0.00 177.39 176.48 2kys h HIS 38 N 0.00 -0.55 -0.73 1.96 2.76 -1.17 -3.03 115.15 114.38 2kys h HIS 38 Ca 0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2kys h HIS 38 Cb 0.72 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.83 2kys h HIS 38 CO 0.00 -0.25 0.37 -2.95 -1.30 0.00 0.00 177.93 173.80 2kys h ASN 39 N -0.79 0.94 0.25 3.26 7.08 -1.71 -2.69 115.58 121.91 2kys h ASN 39 Ca -0.06 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.06 2kys h ASN 39 Cb 0.55 -0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.55 2kys h ASN 39 CO 0.10 0.78 0.00 0.47 -2.08 0.00 0.00 177.43 176.70 2kys n ASP 40 N -4.34 0.56 0.25 6.14 9.92 -1.18 -0.82 116.55 127.08 2kys n ASP 40 Ca 0.07 0.71 -0.13 0.00 -0.53 0.00 0.00 54.79 54.92 2kys n ASP 40 Cb 0.13 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 39.73 2kys n ASP 40 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2kys h ILE 41 N 0.00 0.26 -0.51 0.53 1.08 -1.36 -2.50 117.51 115.02 2kys h ILE 41 Ca 0.00 -0.49 -0.11 0.00 -0.39 0.00 0.00 64.86 63.87 2kys h ILE 41 Cb 0.12 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 2kys h ILE 41 CO 0.00 0.05 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.35 2kys h LEU 42 N -1.06 0.97 -1.07 1.44 3.38 -1.32 -2.81 115.31 114.84 2kys h LEU 42 Ca -0.07 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2kys h LEU 42 Cb 0.59 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kys h LEU 42 CO 0.11 1.09 0.00 0.18 0.09 0.00 0.00 178.44 179.91 2kys n LEU 43 N -4.21 1.49 -4.49 1.67 4.32 -0.00 -4.92 117.00 110.86 2kys n LEU 43 Ca 0.01 -0.75 -0.30 0.00 -0.02 0.00 0.00 56.01 54.95 2kys n LEU 43 Cb 0.38 -0.28 0.26 0.00 -1.62 0.00 0.00 43.42 42.16 2kys n LEU 43 CO 0.45 0.30 0.54 0.00 -1.22 0.00 0.00 177.39 177.45 2kys s ALA 44 N -1.64 0.07 -0.09 -1.18 0.00 -0.94 -4.92 121.76 113.06 2kys s ALA 44 Ca 0.14 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 2kys s ALA 44 Cb 0.08 -2.94 -0.26 0.00 0.00 0.00 0.00 23.12 20.01 2kys s ALA 44 CO 0.07 -3.93 0.89 0.87 0.00 0.00 0.00 175.76 173.66 2kys h LYS 45 N -2.85 0.09 -4.68 0.00 1.57 -1.87 -3.48 116.57 105.34 2kys h LYS 45 Ca -0.46 -0.13 -0.27 0.00 -1.87 0.00 0.00 60.65 57.92 2kys h LYS 45 Cb 1.31 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.52 2kys h LYS 45 CO 0.34 0.98 -0.63 -0.51 -0.57 0.00 0.00 179.45 179.07 2kys s ASP 46 N -6.33 0.66 0.09 0.86 1.11 -1.26 -5.04 116.67 106.76 2kys s ASP 46 Ca -0.17 -1.32 -0.23 0.00 0.18 0.00 0.00 52.55 51.01 2kys s ASP 46 Cb -0.01 0.26 -0.14 0.00 1.07 0.00 0.00 42.92 44.09 2kys s ASP 46 CO 0.73 -0.75 1.74 0.74 1.18 0.00 0.00 175.17 178.80 2kys h THR 47 N 2.60 0.98 -0.62 -1.27 2.02 -1.96 0.75 112.91 115.41 2kys h THR 47 Ca -0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2kys h THR 47 Cb 1.23 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2kys h THR 47 CO 0.58 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.83 2kys h THR 48 N -0.02 1.19 0.00 3.16 1.03 -2.00 -2.22 112.91 114.05 2kys h THR 48 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2kys h THR 48 Cb 0.02 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 2kys h THR 48 CO -0.01 0.20 0.00 -0.08 -0.01 0.00 0.00 175.52 175.62 2kys h GLU 49 N 0.84 0.00 -0.03 0.00 4.81 -1.89 -0.96 114.58 117.36 2kys h GLU 49 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2kys h GLU 49 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kys h GLU 49 CO -0.04 0.00 0.02 0.00 -0.73 0.00 0.00 179.01 178.26 2kys h ALA 50 N 2.27 0.04 0.00 2.92 0.00 -0.21 -3.27 119.26 121.01 2kys h ALA 50 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2kys h ALA 50 Cb 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2kys h ALA 50 CO 0.00 -0.42 -1.96 1.97 0.00 0.00 0.00 179.25 178.85 2kys n PHE 51 N -5.02 0.35 -0.26 0.00 -1.74 -0.97 -3.77 117.46 106.05 2kys n PHE 51 Ca -0.07 0.12 0.16 0.00 -0.56 0.00 0.00 57.45 57.09 2kys n PHE 51 Cb 0.07 -0.91 0.44 0.00 1.52 0.00 0.00 39.48 40.61 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 0.53 0.01 3.97 4.39 -1.32 -0.56 114.58 121.60 2kys h GLU 52 Ca -0.28 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.19 2kys h GLU 52 Cb 1.71 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.23 2kys h GLU 52 CO 0.03 0.35 -0.91 1.57 -1.16 0.00 0.00 179.01 178.89 2kys h LYS 53 N 0.54 0.12 -0.47 2.33 2.10 -1.66 -3.09 116.57 116.45 2kys h LYS 53 Ca 0.46 -0.15 -0.13 0.00 -2.00 0.00 0.00 60.65 58.83 2kys h LYS 53 Cb 0.95 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 2kys h LYS 53 CO -0.20 0.95 -0.22 0.00 -2.00 0.00 0.00 179.45 177.97 2kys h MET 54 N 0.06 0.96 0.00 0.07 -0.00 -1.24 -1.59 114.93 113.20 2kys h MET 54 Ca -0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 2kys h MET 54 Cb 1.57 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 33.13 2kys h MET 54 CO 0.13 1.08 0.00 0.28 -0.00 0.00 0.00 176.91 178.40 2kys n VAL 55 N -4.11 1.07 -0.28 -0.10 0.31 -0.58 -1.32 118.33 113.33 2kys n VAL 55 Ca 0.00 0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.67 2kys n VAL 55 Cb 0.46 -1.14 0.20 0.00 -0.91 0.00 0.00 33.84 32.45 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 -1.36 3.27 -0.04 4.52 7.64 -0.61 -4.62 113.62 122.42 2kys n SER 56 Ca 0.03 -2.07 -0.07 0.00 1.01 0.00 0.00 58.87 57.77 2kys n SER 56 Cb 0.07 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.72 0.91 -0.19 -3.43 -0.00 -0.43 -4.84 117.00 109.73 2kys n LEU 57 Ca 0.15 0.07 0.13 0.00 -0.00 0.00 0.00 56.01 56.36 2kys n LEU 57 Cb 0.51 -0.21 0.44 0.00 -0.00 0.00 0.00 43.42 44.16 2kys n LEU 57 CO 0.11 0.22 1.21 0.17 -0.00 0.00 0.00 177.39 179.10 2kys h LEU 58 N -0.21 0.51 -0.27 1.47 -0.00 -1.80 -0.39 115.31 114.62 2kys h LEU 58 Ca -0.18 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.58 2kys h LEU 58 Cb 1.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2kys h LEU 58 CO -0.10 0.28 -0.69 -1.28 -0.00 0.00 0.00 178.44 176.65 2kys h SER 59 N 0.55 0.00 -0.63 0.17 0.87 -1.89 -2.80 113.55 109.83 2kys h SER 59 Ca 0.38 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 61.00 2kys h SER 59 Cb 0.70 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 2kys h SER 59 CO -0.14 0.69 0.34 0.58 -0.53 0.00 0.00 176.83 177.77 2kys h VAL 60 N 0.00 0.96 0.03 2.23 2.07 -1.39 0.10 116.25 120.25 2kys h VAL 60 Ca -0.01 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2kys h VAL 60 Cb 1.41 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2kys h VAL 60 CO 0.09 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.71 2kys h LEU 61 N 0.63 -0.04 -1.08 2.57 -0.00 -1.56 -3.07 115.31 112.75 2kys h LEU 61 Ca 0.28 -0.25 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2kys h LEU 61 Cb 0.18 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 2kys h LEU 61 CO -0.18 0.23 0.28 -0.07 -0.00 0.00 0.00 178.44 178.69 2kys h LEU 62 N -0.31 0.84 0.00 1.67 3.38 -1.16 0.20 115.31 119.94 2kys h LEU 62 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kys h LEU 62 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kys h LEU 62 CO 0.01 0.74 0.00 -0.24 0.09 0.00 0.00 178.44 179.04 2kys n SER 63 N -4.32 0.00 0.00 -0.43 2.88 0.30 -0.60 113.62 111.44 2kys n SER 63 Ca 0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2kys n SER 63 Cb 0.16 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 -1.40 3.99 0.00 -1.46 0.00 0.19 -4.94 117.12 113.50 2kys n MET 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 2kys n MET 64 Cb 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 32.83 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 -0.73 0.16 -3.93 3.17 10.64 0.46 -5.06 117.38 122.10 2kys n GLN 65 Ca 0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 2kys n GLN 65 Cb 0.00 -0.01 -0.00 0.00 -0.86 0.00 0.00 30.24 29.37 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 0.00 -0.32 3.40 2.61 0.00 0.23 -4.97 105.19 106.14 2kys n GLY 66 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.67 -0.44 -0.03 4.61 0.00 -1.26 -5.04 121.76 115.93 2kys s ALA 67 Ca 0.23 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 2kys s ALA 67 Cb -0.12 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2kys s ALA 67 CO 0.87 -4.23 -0.05 1.55 0.00 0.00 0.00 175.76 173.90 2kys n VAL 68 N -5.30 0.29 1.31 0.00 3.14 -1.26 -4.80 118.33 111.72 2kys n VAL 68 Ca 0.10 -0.01 0.01 0.00 -2.96 0.00 0.00 64.34 61.47 2kys n VAL 68 Cb 0.59 -1.56 0.04 0.00 -1.06 0.00 0.00 33.84 31.84 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 -3.20 0.91 0.31 6.55 8.00 -1.26 -3.67 116.55 124.18 2kys n ASP 69 Ca -0.07 -2.04 0.21 0.00 0.71 0.00 0.00 54.79 53.59 2kys n ASP 69 Cb 0.51 -0.27 1.00 0.00 -0.02 0.00 0.00 41.12 42.34 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 0.41 0.00 0.00 0.53 6.09 -1.89 0.53 117.51 123.19 2kys h ILE 70 Ca 0.00 -0.21 -0.09 0.00 -1.37 0.00 0.00 64.86 63.19 2kys h ILE 70 Cb 0.36 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 2kys h ILE 70 CO 0.02 0.00 -0.43 0.78 -3.07 0.00 0.00 178.15 175.46 2kys h ASN 71 N 0.00 0.00 0.16 2.19 -0.26 -1.95 -3.35 115.58 112.37 2kys h ASN 71 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2kys h ASN 71 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2kys h ASN 71 CO 0.00 0.43 -0.08 0.03 -1.06 0.00 0.00 177.43 176.75 2kys h ARG 72 N 0.00 -0.21 -0.88 0.81 -0.00 -1.18 -2.24 114.38 110.68 2kys h ARG 72 Ca -0.00 0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.62 2kys h ARG 72 Cb 1.15 0.05 -0.07 0.00 0.00 0.00 0.00 29.97 31.10 2kys h ARG 72 CO 0.06 0.13 0.57 1.37 0.00 0.00 0.00 179.97 182.09 2kys h LEU 73 N -0.56 0.70 -0.21 3.04 -0.00 -1.69 -2.88 115.31 113.70 2kys h LEU 73 Ca -0.02 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2kys h LEU 73 Cb 0.43 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2kys h LEU 73 CO 0.04 0.38 0.12 0.00 -0.00 0.00 0.00 178.44 178.97 2kys h GLU 75 N 0.25 0.58 0.49 0.00 4.39 -1.29 -1.02 114.58 117.98 2kys h GLU 75 Ca 0.08 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kys h GLU 75 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2kys h GLU 75 CO -0.04 0.46 -0.24 1.49 -1.16 0.00 0.00 179.01 179.52 2kys h GLU 76 N 0.54 -0.64 0.00 2.33 4.81 -1.25 -0.85 114.58 119.53 2kys h GLU 76 Ca 0.15 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2kys h GLU 76 Cb 0.05 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kys h GLU 76 CO -0.02 -0.41 -0.14 0.00 -0.73 0.00 0.00 179.01 177.71 2kys h MET 77 N -0.70 0.00 0.25 1.92 -0.00 -1.09 0.52 114.93 115.83 2kys h MET 77 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2kys h MET 77 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2kys h MET 77 CO 0.11 0.14 -0.12 -0.07 -0.00 0.00 0.00 176.91 176.97 2kys h LEU 78 N 0.00 -0.29 -1.10 -0.10 3.38 -1.03 -3.14 115.31 113.04 2kys h LEU 78 Ca -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2kys h LEU 78 Cb 0.71 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kys h LEU 78 CO 0.02 0.03 -0.10 0.44 0.09 0.00 0.00 178.44 178.92 2kys h ASP 79 N -0.62 0.00 0.57 -0.43 5.19 -0.71 -1.55 116.42 118.87 2kys h ASP 79 Ca -0.03 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.30 2kys h ASP 79 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2kys h ASP 79 CO 0.06 0.10 -0.38 0.78 -3.12 0.00 0.00 179.24 176.68 2kys h ASN 80 N 0.00 0.00 0.43 6.45 2.35 -0.96 -2.11 115.58 121.74 2kys h ASN 80 Ca -0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.44 2kys h ASN 80 Cb 0.69 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 2kys h ASN 80 CO 0.01 0.38 -1.73 0.08 -1.65 0.00 0.00 177.43 174.52 2kys h ARG 81 N 0.00 0.07 0.00 0.81 -0.00 -1.35 -3.37 114.38 110.54 2kys h ARG 81 Ca -0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.98 59.81 2kys h ARG 81 Cb 0.76 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.77 2kys h ARG 81 CO 0.05 0.70 -0.25 0.00 -0.00 0.00 0.00 179.97 180.46 2kys h ALA 82 N 0.78 1.45 0.00 0.08 0.00 -1.21 -2.72 119.26 117.64 2kys h ALA 82 Ca -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kys h ALA 82 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2kys h ALA 82 CO 0.09 0.31 0.00 -2.37 0.00 0.00 0.00 179.25 177.28 2kys n THR 83 N -4.04 0.54 1.32 0.00 5.66 -0.80 -1.52 114.28 115.44 2kys n THR 83 Ca -0.02 0.13 0.13 0.00 -3.05 0.00 0.00 64.05 61.25 2kys n THR 83 Cb 0.32 -0.89 0.45 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.26 1.00 0.00 1.09 4.77 -1.02 -5.13 117.00 116.44 2kys n LEU 84 Ca 0.07 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2kys n LEU 84 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kys n LEU 84 CO 0.11 0.18 0.21 0.00 -1.33 0.00 0.00 177.39 176.56