#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 2.27 0.19 1.61 2.46 -1.26 -4.74 115.29 115.82 2kys s HIS 2 Ca 0.00 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.10 2kys s HIS 2 Cb 0.00 -4.34 0.00 0.00 -0.13 0.00 0.00 32.58 28.11 2kys s HIS 2 CO 0.00 -2.04 0.00 0.43 -2.47 0.00 0.00 174.74 170.66 2kys n SER 3 N 9.50 0.45 -3.34 9.88 7.64 -1.26 -5.08 113.62 131.41 2kys n SER 3 Ca 0.15 0.30 0.02 0.00 1.01 0.00 0.00 58.87 60.35 2kys n SER 3 Cb 0.49 0.04 -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 -1.59 -3.01 0.00 0.00 175.04 170.44 2kys s LYS 4 N -2.00 0.46 0.87 1.43 0.00 -1.26 -5.16 119.74 114.07 2kys s LYS 4 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 55.97 56.94 2kys s LYS 4 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 37.83 38.40 2kys s LYS 4 CO 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 175.35 175.02 2kys n MET 5 N 5.35 0.00 -2.66 1.78 0.00 -1.26 -4.70 117.12 115.64 2kys n MET 5 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.63 2kys n MET 5 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.80 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 -3.67 0.47 -2.86 3.17 7.64 -1.26 -5.00 113.62 112.11 2kys n SER 6 Ca 0.00 -2.08 -0.19 0.00 1.01 0.00 0.00 58.87 57.61 2kys n SER 6 Cb 0.00 -0.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.84 -5.43 -3.06 6.43 2.03 -1.26 -4.47 116.55 109.96 2kys n ASP 7 Ca -0.02 -0.39 -0.34 0.00 0.52 0.00 0.00 54.79 54.56 2kys n ASP 7 Cb 0.84 -4.07 -0.04 0.00 -0.72 0.00 0.00 41.12 37.13 2kys n ASP 7 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2kys n VAL 8 N -4.45 4.36 -0.85 5.18 0.24 -1.26 -4.48 118.33 117.07 2kys n VAL 8 Ca -0.01 -3.28 0.08 0.00 -2.04 0.00 0.00 64.34 59.09 2kys n VAL 8 Cb 0.56 -2.10 0.15 0.00 -1.47 0.00 0.00 33.84 30.98 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 2.10 2.03 -1.62 7.34 -0.00 -1.26 -5.04 118.16 121.72 2kys n LYS 9 Ca 0.61 -2.47 0.00 0.00 -0.00 0.00 0.00 58.31 56.45 2kys n LYS 9 Cb 0.39 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 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 -2.41 0.00 -4.78 0.00 -2.24 -1.26 -5.10 114.28 98.49 2kys n THR 11 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2kys n THR 11 Cb 0.42 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.00 4.12 0.44 3.42 0.01 -1.26 -5.03 113.70 116.40 2kys s SER 12 Ca 0.00 -0.25 0.30 0.00 1.31 0.00 0.00 55.95 57.32 2kys s SER 12 Cb 0.00 -1.34 1.44 0.00 0.21 0.00 0.00 66.02 66.33 2kys s SER 12 CO 0.00 0.24 1.91 -0.37 0.41 0.00 0.00 173.24 175.44 2kys h VAL 13 N 4.95 0.00 -0.74 3.43 -1.51 -1.99 -3.17 116.25 117.23 2kys h VAL 13 Ca -0.35 -0.20 0.14 0.00 -1.23 0.00 0.00 66.70 65.06 2kys h VAL 13 Cb 1.19 1.00 -0.14 0.00 -2.13 0.00 0.00 31.29 31.21 2kys h VAL 13 CO 0.54 0.00 -0.23 0.58 -1.23 0.00 0.00 177.57 177.23 2kys h VAL 14 N 0.00 0.21 0.02 7.19 2.07 -2.00 0.15 116.25 123.90 2kys h VAL 14 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2kys h VAL 14 Cb 0.24 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2kys h VAL 14 CO 0.00 0.00 -0.25 0.17 0.02 0.00 0.00 177.57 177.51 2kys h LEU 15 N -0.03 0.19 -1.74 2.57 -0.00 -1.93 -3.30 115.31 111.06 2kys h LEU 15 Ca 0.34 -0.86 0.06 0.00 -0.00 0.00 0.00 57.88 57.42 2kys h LEU 15 Cb 0.56 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2kys h LEU 15 CO -0.77 1.02 0.29 -0.07 -0.00 0.00 0.00 178.44 178.91 2kys h LEU 16 N -0.62 0.28 -1.08 0.17 -0.00 -1.45 -1.25 115.31 111.35 2kys h LEU 16 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2kys h LEU 16 Cb 1.08 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 2kys h LEU 16 CO 0.05 0.18 0.62 -1.28 -0.00 0.00 0.00 178.44 178.01 2kys h SER 17 N 0.32 1.05 -0.26 -0.43 0.87 -0.81 -1.97 113.55 112.33 2kys h SER 17 Ca 0.19 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2kys h SER 17 Cb 0.33 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2kys h SER 17 CO -0.04 0.74 0.10 0.58 -0.53 0.00 0.00 176.83 177.69 2kys h VAL 18 N 1.23 1.14 0.01 2.23 2.07 -1.33 0.04 116.25 121.64 2kys h VAL 18 Ca 0.36 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2kys h VAL 18 Cb -0.07 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2kys h VAL 18 CO -0.09 0.17 -0.00 -0.07 0.02 0.00 0.00 177.57 177.60 2kys h LEU 19 N 0.46 -0.01 -1.46 2.57 -0.00 -1.41 -3.29 115.31 112.17 2kys h LEU 19 Ca 0.11 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.14 2kys h LEU 19 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2kys h LEU 19 CO -0.01 0.88 0.00 0.06 -0.00 0.00 0.00 178.44 179.37 2kys h GLN 20 N -0.93 0.00 0.00 1.13 3.07 -1.37 -1.88 115.11 115.13 2kys h GLN 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kys h GLN 20 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2kys h GLN 20 CO 0.00 0.00 0.01 0.94 0.09 0.00 0.00 178.83 179.87 2kys n GLN 21 N -2.93 0.00 0.00 0.06 7.27 -0.01 -3.89 117.38 117.88 2kys n GLN 21 Ca 0.01 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2kys n GLN 21 Cb 0.27 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.41 2kys n GLN 21 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2kys n LEU 22 N -1.08 0.00 0.00 1.69 -0.00 -0.72 -5.01 117.00 111.87 2kys n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kys n LEU 22 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2kys n LEU 22 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 177.39 175.28 2kys n ARG 23 N -0.49 0.00 -0.12 1.47 0.00 -1.13 -5.13 116.66 111.26 2kys n ARG 23 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 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 -0.06 0.00 -3.90 8.89 3.14 -1.22 -4.81 118.33 120.36 2kys n VAL 24 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2kys n VAL 24 Cb 0.00 -0.04 -0.15 0.00 -1.06 0.00 0.00 33.84 32.58 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 -0.54 1.35 0.15 1.45 2.02 -1.26 -4.99 118.70 116.89 2kys s GLU 25 Ca 0.00 -1.15 -0.18 0.00 0.02 0.00 0.00 54.97 53.66 2kys s GLU 25 Cb 0.00 -2.55 0.05 0.00 0.10 0.00 0.00 34.13 31.73 2kys s GLU 25 CO 0.00 -0.75 1.68 0.66 0.02 0.00 0.00 175.26 176.87 2kys h SER 26 N 7.93 -0.33 0.00 -0.19 4.64 -1.99 -3.10 113.55 120.51 2kys h SER 26 Ca -0.14 0.10 -0.67 0.00 -0.47 0.00 0.00 61.79 60.61 2kys h SER 26 Cb 1.05 0.21 0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2kys h SER 26 CO 0.44 -0.12 2.59 -1.20 -0.87 0.00 0.00 176.83 177.67 2kys n SER 27 N -5.28 3.00 -3.83 4.97 7.64 -1.26 -4.74 113.62 114.12 2kys n SER 27 Ca 0.00 -2.73 -0.08 0.00 1.01 0.00 0.00 58.87 57.08 2kys n SER 27 Cb 0.19 -1.29 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 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 4.39 -0.27 0.47 6.43 0.15 -1.17 -4.96 113.70 118.73 2kys s SER 28 Ca 0.54 -0.59 0.14 0.00 0.70 0.00 0.00 55.95 56.74 2kys s SER 28 Cb 0.14 0.70 1.10 0.00 -1.71 0.00 0.00 66.02 66.25 2kys s SER 28 CO 0.05 -1.29 2.07 0.07 1.20 0.00 0.00 173.24 175.33 2kys h LYS 29 N 2.03 0.26 0.57 5.44 -0.00 -1.88 -3.37 116.57 119.63 2kys h LYS 29 Ca -0.21 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.40 2kys h LYS 29 Cb 1.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 2kys h LYS 29 CO 0.26 0.17 -0.44 1.25 -0.00 0.00 0.00 179.45 180.69 2kys h LEU 30 N 0.27 -1.14 -1.18 7.07 7.12 -1.92 0.16 115.31 125.68 2kys h LEU 30 Ca 0.14 0.08 0.21 0.00 0.13 0.00 0.00 57.88 58.44 2kys h LEU 30 Cb 0.20 0.36 -0.10 0.00 -0.53 0.00 0.00 40.66 40.59 2kys h LEU 30 CO -0.03 -0.63 0.62 -0.25 -0.13 0.00 0.00 178.44 178.02 2kys h TRP 31 N -0.98 0.87 0.02 1.25 7.01 -1.71 -1.64 115.95 120.78 2kys h TRP 31 Ca -0.07 0.03 -0.26 0.00 2.11 0.00 0.00 58.89 60.70 2kys h TRP 31 Cb 0.82 -0.26 0.02 0.00 -2.10 0.00 0.00 29.16 27.64 2kys h TRP 31 CO -0.17 0.17 -1.05 0.00 -2.79 0.00 0.00 178.44 174.60 2kys h ALA 32 N 1.64 0.18 -1.23 2.65 0.00 -1.52 -3.29 119.26 117.70 2kys h ALA 32 Ca 0.57 -0.72 0.36 0.00 0.00 0.00 0.00 54.91 55.12 2kys h ALA 32 Cb 1.11 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2kys h ALA 32 CO -0.33 0.74 0.82 1.96 0.00 0.00 0.00 179.25 182.43 2kys h GLN 33 N 0.32 0.18 0.23 0.00 1.08 0.30 -0.03 115.11 117.19 2kys h GLN 33 Ca -0.12 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2kys h GLN 33 Cb 1.70 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 2kys h GLN 33 CO 0.20 0.12 -0.11 0.00 -0.95 0.00 0.00 178.83 178.08 2kys h VAL 35 N -1.07 1.25 -0.22 0.00 3.04 -1.46 0.51 116.25 118.30 2kys h VAL 35 Ca -0.03 -0.73 -0.04 0.00 -1.01 0.00 0.00 66.70 64.89 2kys h VAL 35 Cb 0.27 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 2kys h VAL 35 CO 0.05 0.31 -0.03 0.06 -1.01 0.00 0.00 177.57 176.95 2kys h GLN 36 N 1.15 0.34 0.01 4.17 -0.00 -1.21 -2.84 115.11 116.72 2kys h GLN 36 Ca 0.28 -0.06 -0.31 0.00 -0.00 0.00 0.00 58.65 58.56 2kys h GLN 36 Cb 0.13 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.48 27.51 2kys h GLN 36 CO -0.03 0.39 -1.83 -0.11 -0.00 0.00 0.00 178.83 177.24 2kys n LEU 37 N -4.33 0.92 -0.11 0.06 0.00 -0.66 -2.11 117.00 110.77 2kys n LEU 37 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 56.01 56.29 2kys n LEU 37 Cb 0.22 0.10 0.01 0.00 0.00 0.00 0.00 43.42 43.75 2kys n LEU 37 CO 0.37 0.45 0.75 -0.74 0.00 0.00 0.00 177.39 178.23 2kys h HIS 38 N 0.01 -0.35 -0.04 1.96 2.76 -0.85 -1.56 115.15 117.07 2kys h HIS 38 Ca -0.34 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 57.71 2kys h HIS 38 Cb 2.05 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 31.21 2kys h HIS 38 CO 0.01 -0.22 -0.70 -2.95 -1.30 0.00 0.00 177.93 172.76 2kys h ASN 39 N -0.07 0.23 0.00 3.26 7.08 -1.58 -2.89 115.58 121.61 2kys h ASN 39 Ca 0.19 -0.15 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2kys h ASN 39 Cb 0.36 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.53 2kys h ASN 39 CO -0.43 0.85 0.03 0.44 -2.08 0.00 0.00 177.43 176.25 2kys h ASP 40 N 0.13 0.00 0.49 6.14 3.32 -0.79 -0.77 116.42 124.94 2kys h ASP 40 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2kys h ASP 40 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kys h ASP 40 CO 0.11 0.00 -0.23 0.40 -1.72 0.00 0.00 179.24 177.79 2kys h ILE 41 N 0.00 0.00 0.00 0.35 1.08 -1.09 -1.59 117.51 116.25 2kys h ILE 41 Ca 0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2kys h ILE 41 Cb 0.07 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 2kys h ILE 41 CO 0.00 0.00 0.00 -0.07 -0.69 0.00 0.00 178.15 177.39 2kys h LEU 42 N -0.82 0.00 -3.37 1.44 3.38 -1.48 -1.64 115.31 112.82 2kys h LEU 42 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kys h LEU 42 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kys h LEU 42 CO 0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.82 2kys n LEU 43 N -3.00 4.74 -4.52 1.67 4.32 -0.36 -5.00 117.00 114.84 2kys n LEU 43 Ca 0.00 -2.89 -0.30 0.00 -0.02 0.00 0.00 56.01 52.80 2kys n LEU 43 Cb 0.25 -0.60 0.26 0.00 -1.62 0.00 0.00 43.42 41.71 2kys n LEU 43 CO 0.25 0.67 0.57 0.00 -1.22 0.00 0.00 177.39 177.67 2kys s ALA 44 N -2.63 0.29 -0.11 -1.18 0.00 -0.60 -4.90 121.76 112.62 2kys s ALA 44 Ca 0.48 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 2kys s ALA 44 Cb 0.36 -2.88 -0.23 0.00 0.00 0.00 0.00 23.12 20.38 2kys s ALA 44 CO 0.14 -3.88 0.82 0.87 0.00 0.00 0.00 175.76 173.71 2kys h LYS 45 N -2.83 -0.01 -3.83 0.00 1.79 -1.88 -3.49 116.57 106.31 2kys h LYS 45 Ca -0.43 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.93 2kys h LYS 45 Cb 1.30 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.85 2kys h LYS 45 CO 0.30 0.81 -0.20 -0.51 -1.08 0.00 0.00 179.45 178.77 2kys s ASP 46 N -6.04 0.02 0.14 0.86 1.01 -1.26 -5.06 116.67 106.34 2kys s ASP 46 Ca -0.17 -1.05 -0.22 0.00 0.71 0.00 0.00 52.55 51.82 2kys s ASP 46 Cb -0.02 0.56 0.01 0.00 1.01 0.00 0.00 42.92 44.48 2kys s ASP 46 CO 0.64 -1.11 1.64 0.74 0.21 0.00 0.00 175.17 177.29 2kys h THR 47 N 2.30 0.47 -0.53 -1.27 2.02 -1.96 -0.48 112.91 113.45 2kys h THR 47 Ca -0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2kys h THR 47 Cb 1.25 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2kys h THR 47 CO 0.38 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.54 2kys h THR 48 N -0.23 1.19 0.00 3.16 1.03 -2.00 -2.61 112.91 113.45 2kys h THR 48 Ca 0.12 -0.53 -0.12 0.00 -0.01 0.00 0.00 66.41 65.87 2kys h THR 48 Cb 0.41 0.57 -0.02 0.00 -1.07 0.00 0.00 68.15 68.04 2kys h THR 48 CO -0.33 0.22 -0.57 -0.08 -0.01 0.00 0.00 175.52 174.75 2kys h GLU 49 N 0.71 0.00 0.76 0.00 4.57 -1.87 -1.82 114.58 116.93 2kys h GLU 49 Ca 0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2kys h GLU 49 Cb 0.10 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kys h GLU 49 CO -0.03 0.57 -0.46 0.00 -1.18 0.00 0.00 179.01 177.91 2kys h ALA 50 N 1.43 -1.26 0.00 2.92 0.00 -0.72 -2.76 119.26 118.87 2kys h ALA 50 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kys h ALA 50 Cb 1.01 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2kys h ALA 50 CO 0.07 -1.22 -0.28 0.27 0.00 0.00 0.00 179.25 178.10 2kys h PHE 51 N -1.15 0.00 -0.82 0.00 -0.00 -1.45 -2.34 116.94 111.18 2kys h PHE 51 Ca -0.10 0.00 0.14 0.00 -0.00 0.00 0.00 57.97 58.00 2kys h PHE 51 Cb 0.92 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 36.77 2kys h PHE 51 CO -0.09 0.28 0.41 0.93 -0.00 0.00 0.00 178.31 179.85 2kys h GLU 52 N 0.00 0.59 -0.37 6.09 4.39 -1.27 -1.96 114.58 122.05 2kys h GLU 52 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kys h GLU 52 Cb 0.94 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2kys h GLU 52 CO 0.04 0.39 0.20 0.87 -1.16 0.00 0.00 179.01 179.35 2kys h LYS 53 N 0.61 0.52 -0.26 2.33 1.57 -1.12 -2.74 116.57 117.48 2kys h LYS 53 Ca 0.44 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.07 2kys h LYS 53 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kys h LYS 53 CO -0.35 0.42 -0.23 0.00 -0.57 0.00 0.00 179.45 178.72 2kys h MET 54 N 0.47 0.48 0.00 3.15 -0.00 -1.40 -1.25 114.93 116.38 2kys h MET 54 Ca 0.13 -0.17 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2kys h MET 54 Cb 0.06 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.62 2kys h MET 54 CO -0.02 0.68 -0.10 0.28 -0.00 0.00 0.00 176.91 177.74 2kys h VAL 55 N 0.42 0.35 -0.36 -0.10 2.07 -1.32 -0.23 116.25 117.07 2kys h VAL 55 Ca 0.07 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 2kys h VAL 55 Cb 0.63 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 2kys h VAL 55 CO 0.05 0.10 0.12 -1.20 0.02 0.00 0.00 177.57 176.66 2kys n SER 56 N -3.36 3.37 0.04 0.57 7.64 -0.48 -4.38 113.62 117.03 2kys n SER 56 Ca -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2kys n SER 56 Cb 0.29 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2kys n SER 56 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kys n LEU 57 N 0.08 0.28 0.00 -3.43 0.00 -0.14 -4.77 117.00 109.02 2kys n LEU 57 Ca 0.20 0.14 0.01 0.00 0.00 0.00 0.00 56.01 56.36 2kys n LEU 57 Cb 0.86 -0.01 0.04 0.00 0.00 0.00 0.00 43.42 44.31 2kys n LEU 57 CO 0.21 -0.48 0.20 0.00 0.00 0.00 0.00 177.39 177.32 2kys n LEU 58 N -3.14 0.00 0.00 -1.96 -0.00 -0.94 -0.90 117.00 110.06 2kys n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kys n LEU 58 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 2kys n LEU 58 CO 0.00 0.00 -0.47 -0.24 -0.00 0.00 0.00 177.39 176.68 2kys n SER 59 N -0.59 4.69 0.33 1.45 2.88 -1.26 -4.59 113.62 116.53 2kys n SER 59 Ca 0.01 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.38 2kys n SER 59 Cb 0.01 0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2kys n SER 59 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kys h VAL 60 N 0.00 0.40 -0.66 2.46 2.07 -1.32 -2.14 116.25 117.06 2kys h VAL 60 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2kys h VAL 60 Cb 0.77 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2kys h VAL 60 CO 0.00 0.01 0.39 -0.07 0.02 0.00 0.00 177.57 177.92 2kys h LEU 61 N -0.85 0.80 -0.97 2.57 3.38 -1.86 -1.81 115.31 116.57 2kys h LEU 61 Ca -0.08 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2kys h LEU 61 Cb 0.63 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2kys h LEU 61 CO 0.13 0.64 0.02 -0.07 0.09 0.00 0.00 178.44 179.25 2kys h LEU 62 N 0.90 0.73 0.00 1.67 3.38 -1.80 0.36 115.31 120.55 2kys h LEU 62 Ca 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kys h LEU 62 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2kys h LEU 62 CO -0.04 0.78 0.00 -0.24 0.09 0.00 0.00 178.44 179.03 2kys n SER 63 N -4.23 0.00 -0.00 -0.43 2.88 -0.70 -0.97 113.62 110.17 2kys n SER 63 Ca 0.03 -0.45 0.03 0.00 -1.33 0.00 0.00 58.87 57.14 2kys n SER 63 Cb 0.28 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.06 3.64 0.00 -1.46 0.00 0.03 -4.94 117.12 113.33 2kys n MET 64 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.81 2kys n MET 64 Cb 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 32.40 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 -1.30 1.86 -3.59 3.17 10.64 -0.66 -5.06 117.38 122.43 2kys n GLN 65 Ca 0.01 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 2kys n GLN 65 Cb 0.12 -0.26 0.05 0.00 -0.86 0.00 0.00 30.24 29.29 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 0.01 -0.72 3.94 2.61 0.00 -0.14 -5.03 105.19 105.86 2kys n GLY 66 Ca 0.00 0.34 -0.25 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 -3.54 3.39 -0.03 4.61 0.00 -1.26 -5.09 121.76 119.84 2kys s ALA 67 Ca 0.26 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2kys s ALA 67 Cb -0.07 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 2kys s ALA 67 CO 0.81 -1.02 -0.04 1.33 0.00 0.00 0.00 175.76 176.84 2kys n VAL 68 N -2.68 0.19 0.56 0.00 0.24 -1.26 -4.71 118.33 110.67 2kys n VAL 68 Ca 0.07 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kys n VAL 68 Cb 0.60 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.91 0.46 0.22 -1.34 8.00 -1.26 -4.40 116.55 115.31 2kys n ASP 69 Ca -0.06 -1.01 0.05 0.00 0.71 0.00 0.00 54.79 54.47 2kys n ASP 69 Cb 0.55 -0.23 0.49 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.14 0.00 0.53 6.09 -1.95 -0.64 117.51 122.68 2kys h ILE 70 Ca 0.00 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2kys h ILE 70 Cb 0.23 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.87 2kys h ILE 70 CO 0.00 0.19 -0.12 0.78 -3.07 0.00 0.00 178.15 175.93 2kys h ASN 71 N 0.01 0.00 0.27 2.19 -0.26 -1.94 -3.38 115.58 112.47 2kys h ASN 71 Ca 0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2kys h ASN 71 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2kys h ASN 71 CO 0.02 0.00 -0.13 0.03 -1.06 0.00 0.00 177.43 176.30 2kys h ARG 72 N 0.00 -0.35 -0.42 0.81 -0.00 -1.46 -2.30 114.38 110.67 2kys h ARG 72 Ca 0.00 0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.59 2kys h ARG 72 Cb 0.93 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.96 2kys h ARG 72 CO 0.00 -0.12 0.29 1.37 0.00 0.00 0.00 179.97 181.51 2kys h LEU 73 N -0.52 0.17 0.17 3.04 -0.00 -1.74 -2.41 115.31 114.01 2kys h LEU 73 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 73 Cb 0.39 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2kys h LEU 73 CO 0.06 0.10 -0.08 0.00 -0.00 0.00 0.00 178.44 178.52 2kys n GLU 75 N -5.17 0.25 0.00 0.00 1.02 -0.94 -1.01 120.64 114.79 2kys n GLU 75 Ca -0.09 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2kys n GLU 75 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2kys n GLU 75 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kys n GLU 76 N -1.32 0.00 -0.04 3.49 2.13 -0.94 -4.07 120.64 119.88 2kys n GLU 76 Ca 0.09 0.33 0.04 0.00 0.66 0.00 0.00 57.16 58.28 2kys n GLU 76 Cb 0.18 -0.82 0.40 0.00 0.27 0.00 0.00 31.44 31.47 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys h MET 77 N 0.00 0.60 0.00 5.31 -0.00 -1.24 -0.03 114.93 119.57 2kys h MET 77 Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 2kys h MET 77 Cb 0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.46 2kys h MET 77 CO 0.00 0.40 -0.26 1.25 -0.00 0.00 0.00 176.91 178.30 2kys h LEU 78 N 0.62 0.00 0.13 -0.10 5.85 -1.31 -2.15 115.31 118.35 2kys h LEU 78 Ca 0.18 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.58 2kys h LEU 78 Cb -0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2kys h LEU 78 CO -0.04 0.26 -1.66 -0.78 -0.34 0.00 0.00 178.44 175.88 2kys h ASP 79 N 0.00 0.42 0.32 1.25 1.82 -1.30 -3.14 116.42 115.79 2kys h ASP 79 Ca -0.00 -0.65 -0.02 0.00 -0.39 0.00 0.00 57.03 55.96 2kys h ASP 79 Cb 0.48 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 2kys h ASP 79 CO 0.03 1.55 -0.10 0.78 -1.61 0.00 0.00 179.24 179.90 2kys h ASN 80 N 0.07 0.00 0.14 2.28 -0.26 -0.76 0.36 115.58 117.40 2kys h ASN 80 Ca -0.30 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.22 2kys h ASN 80 Cb 2.04 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 39.31 2kys h ASN 80 CO 0.15 0.10 -1.07 0.08 -1.06 0.00 0.00 177.43 175.63 2kys h ARG 81 N 0.00 0.29 0.00 0.81 0.11 -1.53 -3.39 114.38 110.67 2kys h ARG 81 Ca -0.00 -0.50 -0.03 0.00 0.10 0.00 0.00 59.98 59.55 2kys h ARG 81 Cb 0.29 0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 2kys h ARG 81 CO 0.01 1.24 -0.13 0.00 0.10 0.00 0.00 179.97 181.19 2kys h ALA 82 N 0.04 1.65 0.00 0.08 0.00 -1.15 -0.15 119.26 119.72 2kys h ALA 82 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kys h ALA 82 Cb 1.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2kys h ALA 82 CO 0.13 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2kys h THR 83 N 0.00 0.00 -0.00 0.00 1.03 -1.18 -3.23 112.91 109.53 2kys h THR 83 Ca -0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2kys h THR 83 Cb 0.26 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 2kys h THR 83 CO 0.02 0.00 -0.14 0.18 -0.01 0.00 0.00 175.52 175.57 2kys n LEU 84 N -2.89 0.73 0.00 0.00 4.77 -0.09 -5.13 117.00 114.38 2kys n LEU 84 Ca -0.01 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2kys n LEU 84 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2kys n LEU 84 CO 0.22 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.44