#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 0.16 0.35 1.61 5.65 -1.26 -5.16 115.29 116.64 2kys s HIS 2 Ca 0.00 0.04 0.09 0.00 0.25 0.00 0.00 55.06 55.44 2kys s HIS 2 Cb 0.00 -0.25 -0.06 0.00 -1.18 0.00 0.00 32.58 31.09 2kys s HIS 2 CO 0.00 -0.08 0.02 -1.12 -0.65 0.00 0.00 174.74 172.92 2kys s SER 3 N 0.74 4.17 0.02 9.88 0.01 -1.26 -5.17 113.70 122.09 2kys s SER 3 Ca -0.07 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.06 2kys s SER 3 Cb -0.10 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.63 2kys s SER 3 CO -0.02 -0.28 0.22 -0.75 0.41 0.00 0.00 173.24 172.83 2kys s LYS 4 N -3.73 0.66 0.69 12.44 2.36 -1.26 -5.15 119.74 125.76 2kys s LYS 4 Ca 0.35 -0.48 -0.16 0.00 -2.55 0.00 0.00 55.97 53.13 2kys s LYS 4 Cb 0.01 0.28 0.02 0.00 -1.05 0.00 0.00 37.83 37.09 2kys s LYS 4 CO 0.19 -0.19 1.22 0.00 1.55 0.00 0.00 175.35 178.13 2kys s MET 5 N -2.09 2.34 -0.05 4.03 0.23 -1.26 -4.97 119.30 117.54 2kys s MET 5 Ca -0.09 1.82 0.07 0.00 -1.03 0.00 0.00 55.69 56.46 2kys s MET 5 Cb -0.03 -1.85 0.10 0.00 -1.53 0.00 0.00 34.83 31.52 2kys s MET 5 CO -0.01 -1.69 0.99 0.43 -2.03 0.00 0.00 175.02 172.70 2kys n SER 6 N -2.41 1.65 -2.77 -1.18 7.64 -1.26 -5.03 113.62 110.26 2kys n SER 6 Ca 0.14 -2.26 -0.10 0.00 1.01 0.00 0.00 58.87 57.66 2kys n SER 6 Cb 0.50 -0.17 0.05 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.71 -5.48 -4.18 6.43 -0.08 -1.26 -4.83 116.55 106.44 2kys n ASP 7 Ca 0.06 -0.48 -0.40 0.00 -1.51 0.00 0.00 54.79 52.45 2kys n ASP 7 Cb 0.47 -3.97 -0.07 0.00 2.34 0.00 0.00 41.12 39.89 2kys n ASP 7 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kys s VAL 8 N -3.26 4.46 0.00 5.18 1.01 -1.26 -4.86 120.40 121.67 2kys s VAL 8 Ca 0.31 -2.95 0.00 0.00 0.00 0.00 0.00 61.98 59.34 2kys s VAL 8 Cb -0.04 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2kys s VAL 8 CO 0.54 -0.96 0.62 2.29 0.00 0.00 0.00 175.10 177.59 2kys n LYS 9 N 3.45 0.22 -0.86 2.72 2.85 -1.26 -5.04 118.16 120.24 2kys n LYS 9 Ca 0.12 -0.76 0.11 0.00 -1.05 0.00 0.00 58.31 56.73 2kys n LYS 9 Cb 0.41 -0.96 -0.04 0.00 -0.65 0.00 0.00 35.03 33.78 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 -3.54 0.00 -4.76 0.00 5.66 -1.26 -5.14 114.28 105.25 2kys n THR 11 Ca -0.03 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.64 2kys n THR 11 Cb 0.40 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.05 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 -1.26 4.17 0.48 1.09 0.01 -1.26 -5.02 113.70 111.91 2kys s SER 12 Ca 0.00 -0.23 0.27 0.00 1.31 0.00 0.00 55.95 57.30 2kys s SER 12 Cb 0.00 -1.34 0.77 0.00 0.21 0.00 0.00 66.02 65.66 2kys s SER 12 CO 0.00 0.24 1.77 -0.37 0.41 0.00 0.00 173.24 175.29 2kys h VAL 13 N 4.92 0.02 -1.01 3.43 -1.51 -2.00 -3.28 116.25 116.82 2kys h VAL 13 Ca -0.35 -0.82 0.27 0.00 -1.23 0.00 0.00 66.70 64.57 2kys h VAL 13 Cb 1.19 1.80 -0.07 0.00 -2.13 0.00 0.00 31.29 32.08 2kys h VAL 13 CO 0.54 0.01 0.68 1.62 -1.23 0.00 0.00 177.57 179.20 2kys h VAL 14 N 0.00 0.54 0.05 7.19 3.04 -1.96 0.20 116.25 125.31 2kys h VAL 14 Ca -0.00 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2kys h VAL 14 Cb 0.80 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 2kys h VAL 14 CO 0.00 0.05 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.51 2kys h LEU 15 N 0.25 -0.05 0.04 3.16 3.38 -1.94 -3.36 115.31 116.78 2kys h LEU 15 Ca 0.53 -0.48 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 2kys h LEU 15 Cb 1.61 0.01 0.02 0.00 0.09 0.00 0.00 40.66 42.40 2kys h LEU 15 CO -0.17 0.65 -0.99 -0.07 0.09 0.00 0.00 178.44 177.95 2kys h LEU 16 N -0.96 0.81 -1.23 1.67 3.38 -1.42 -3.07 115.31 114.47 2kys h LEU 16 Ca -0.01 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.16 2kys h LEU 16 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2kys h LEU 16 CO 0.01 1.49 0.22 -1.28 0.09 0.00 0.00 178.44 178.96 2kys h SER 17 N 0.23 0.68 0.36 -0.43 0.87 -0.88 -1.10 113.55 113.28 2kys h SER 17 Ca -0.13 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2kys h SER 17 Cb 1.67 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2kys h SER 17 CO 0.19 0.61 -0.20 0.58 -0.53 0.00 0.00 176.83 177.48 2kys h VAL 18 N 0.74 0.85 0.12 2.23 2.07 -1.69 0.89 116.25 121.47 2kys h VAL 18 Ca 0.18 -0.76 -0.18 0.00 0.82 0.00 0.00 66.70 66.76 2kys h VAL 18 Cb 0.13 1.45 0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2kys h VAL 18 CO -0.02 0.19 -0.81 -0.07 0.02 0.00 0.00 177.57 176.88 2kys h LEU 19 N 0.00 0.41 0.00 2.57 4.07 -1.22 -3.24 115.31 117.90 2kys h LEU 19 Ca -0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.02 2kys h LEU 19 Cb 0.43 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2kys h LEU 19 CO 0.03 1.38 0.00 0.00 -1.08 0.00 0.00 178.44 178.77 2kys n GLN 20 N -4.15 0.07 0.09 1.13 6.02 -0.57 -1.87 117.38 118.10 2kys n GLN 20 Ca -0.15 0.22 -0.01 0.00 -0.01 0.00 0.00 57.00 57.05 2kys n GLN 20 Cb 0.80 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.82 2kys n GLN 20 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2kys h GLN 21 N 0.00 0.27 0.00 -1.09 4.20 -0.85 -3.44 115.11 114.20 2kys h GLN 21 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2kys h GLN 21 Cb 0.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2kys h GLN 21 CO 0.00 0.57 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 2kys n LEU 22 N -4.10 0.00 0.00 1.46 7.99 -0.78 -5.06 117.00 116.51 2kys n LEU 22 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2kys n LEU 22 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2kys n LEU 22 CO 0.41 0.00 0.00 -2.11 -1.51 0.00 0.00 177.39 174.18 2kys n ARG 23 N -0.58 0.00 -1.57 3.23 0.00 -1.22 -5.15 116.66 111.37 2kys n ARG 23 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2kys n ARG 23 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 32.46 32.49 2kys n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2kys n VAL 24 N 0.00 2.78 -2.15 8.89 0.31 -1.22 -4.88 118.33 122.06 2kys n VAL 24 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 2kys n VAL 24 Cb 0.00 -1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 2kys n VAL 24 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kys s GLU 25 N -2.25 2.77 0.32 5.55 2.02 -1.26 -4.78 118.70 121.07 2kys s GLU 25 Ca 0.69 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 55.15 2kys s GLU 25 Cb -0.49 -5.15 0.54 0.00 0.10 0.00 0.00 34.13 29.13 2kys s GLU 25 CO 0.53 -3.21 1.78 0.66 0.02 0.00 0.00 175.26 175.04 2kys h SER 26 N 10.74 0.35 0.00 -0.19 4.64 -1.99 -2.81 113.55 124.29 2kys h SER 26 Ca 0.14 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2kys h SER 26 Cb 0.99 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2kys h SER 26 CO 1.26 0.60 0.00 -1.54 -0.87 0.00 0.00 176.83 176.27 2kys n SER 27 N -4.15 2.08 -3.91 4.97 3.41 -1.26 -4.81 113.62 109.95 2kys n SER 27 Ca -0.01 -1.41 -0.10 0.00 -0.26 0.00 0.00 58.87 57.10 2kys n SER 27 Cb 0.38 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.97 0.04 0.58 4.04 0.15 -1.06 -5.03 113.70 113.39 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 0.58 1.63 0.00 -1.71 0.00 0.00 66.02 66.52 2kys s SER 28 CO 0.00 -1.14 2.14 0.07 1.20 0.00 0.00 173.24 175.51 2kys h LYS 29 N 2.27 0.00 0.56 5.44 -0.00 -1.87 -3.25 116.57 119.72 2kys h LYS 29 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.35 2kys h LYS 29 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2kys h LYS 29 CO 0.38 0.00 -0.33 1.25 -0.00 0.00 0.00 179.45 180.74 2kys h LEU 30 N 0.00 -0.82 -1.23 7.07 7.12 -1.93 0.23 115.31 125.74 2kys h LEU 30 Ca 0.06 0.05 0.22 0.00 0.13 0.00 0.00 57.88 58.33 2kys h LEU 30 Cb 0.34 0.24 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 2kys h LEU 30 CO -0.00 -0.53 0.62 -0.25 -0.13 0.00 0.00 178.44 178.16 2kys h TRP 31 N -0.84 0.83 0.00 1.25 7.01 -1.58 -0.27 115.95 122.34 2kys h TRP 31 Ca -0.07 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 2kys h TRP 31 Cb 0.68 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 2kys h TRP 31 CO -0.09 0.16 -0.74 0.00 -2.79 0.00 0.00 178.44 174.99 2kys h ALA 32 N 1.63 0.75 -0.91 2.65 0.00 -1.45 -3.14 119.26 118.80 2kys h ALA 32 Ca 0.56 -0.67 0.25 0.00 0.00 0.00 0.00 54.91 55.05 2kys h ALA 32 Cb 1.14 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 2kys h ALA 32 CO -0.31 0.92 0.30 1.96 0.00 0.00 0.00 179.25 182.12 2kys h GLN 33 N 0.00 0.22 0.04 0.00 1.08 0.13 0.13 115.11 116.70 2kys h GLN 33 Ca -0.01 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2kys h GLN 33 Cb 1.33 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2kys h GLN 33 CO 0.10 0.15 -0.02 0.00 -0.95 0.00 0.00 178.83 178.10 2kys h VAL 35 N -0.97 0.59 0.13 0.00 2.07 -1.30 -0.69 116.25 116.08 2kys h VAL 35 Ca -0.00 -0.28 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 2kys h VAL 35 Cb 0.56 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2kys h VAL 35 CO 0.01 0.06 -1.06 0.06 0.02 0.00 0.00 177.57 176.66 2kys h GLN 36 N 0.00 0.27 0.00 1.57 -0.00 -0.93 -3.39 115.11 112.63 2kys h GLN 36 Ca -0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2kys h GLN 36 Cb 0.17 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 2kys h GLN 36 CO 0.01 1.22 -0.03 -0.11 -0.00 0.00 0.00 178.83 179.92 2kys n LEU 37 N -4.05 0.36 0.36 0.06 7.94 -0.75 -2.56 117.00 118.36 2kys n LEU 37 Ca -0.19 0.51 -0.18 0.00 -1.11 0.00 0.00 56.01 55.05 2kys n LEU 37 Cb 0.85 -0.41 -0.09 0.00 0.53 0.00 0.00 43.42 44.30 2kys n LEU 37 CO 0.45 -0.07 0.63 -0.74 -1.11 0.00 0.00 177.39 176.55 2kys h HIS 38 N 0.00 -0.93 -0.40 1.96 -0.00 -1.35 -3.28 115.15 111.15 2kys h HIS 38 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.25 2kys h HIS 38 Cb 0.60 0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 2kys h HIS 38 CO 0.00 -0.55 -0.16 -0.91 -0.00 0.00 0.00 177.93 176.30 2kys h ASN 39 N -0.94 0.76 -0.31 3.26 2.35 -1.71 -1.43 115.58 117.57 2kys h ASN 39 Ca -0.09 -0.25 0.09 0.00 -0.55 0.00 0.00 56.30 55.51 2kys h ASN 39 Cb 0.74 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2kys h ASN 39 CO 0.12 0.92 0.48 0.44 -1.65 0.00 0.00 177.43 177.75 2kys h ASP 40 N 0.68 0.00 0.27 5.81 5.19 -1.61 0.11 116.42 126.86 2kys h ASP 40 Ca 0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2kys h ASP 40 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2kys h ASP 40 CO 0.05 0.00 -0.13 0.40 -3.12 0.00 0.00 179.24 176.44 2kys h ILE 41 N 0.00 0.00 -0.38 0.35 1.08 -1.31 -1.80 117.51 115.44 2kys h ILE 41 Ca 0.15 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2kys h ILE 41 Cb 1.11 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2kys h ILE 41 CO -0.00 0.00 0.25 -0.07 -0.69 0.00 0.00 178.15 177.64 2kys h LEU 42 N -0.64 0.44 -0.63 1.44 3.38 -1.41 -1.52 115.31 116.37 2kys h LEU 42 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kys h LEU 42 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kys h LEU 42 CO 0.06 0.33 -0.02 0.18 0.09 0.00 0.00 178.44 179.07 2kys n LEU 43 N -4.47 1.00 -4.44 1.67 4.32 0.28 -4.97 117.00 110.38 2kys n LEU 43 Ca 0.03 -0.32 -0.28 0.00 -0.02 0.00 0.00 56.01 55.42 2kys n LEU 43 Cb 0.06 -0.02 0.27 0.00 -1.62 0.00 0.00 43.42 42.11 2kys n LEU 43 CO 0.35 0.17 0.49 0.00 -1.22 0.00 0.00 177.39 177.18 2kys s ALA 44 N -2.06 -0.77 0.05 -1.18 0.00 -0.57 -4.96 121.76 112.26 2kys s ALA 44 Ca 0.39 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2kys s ALA 44 Cb 0.21 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.93 2kys s ALA 44 CO 0.36 -4.09 1.45 0.87 0.00 0.00 0.00 175.76 174.35 2kys h LYS 45 N -2.82 -0.79 -4.93 0.00 1.79 -1.87 -3.48 116.57 104.46 2kys h LYS 45 Ca -0.62 0.05 -0.49 0.00 -2.18 0.00 0.00 60.65 57.42 2kys h LYS 45 Cb 1.34 0.18 -0.13 0.00 -1.58 0.00 0.00 32.23 32.04 2kys h LYS 45 CO 0.49 -0.49 -0.51 -0.51 -1.08 0.00 0.00 179.45 177.35 2kys s ASP 46 N -4.54 1.99 0.07 0.86 1.01 -1.26 -5.02 116.67 109.78 2kys s ASP 46 Ca -0.16 -1.71 -0.30 0.00 0.71 0.00 0.00 52.55 51.09 2kys s ASP 46 Cb 0.03 0.53 -0.15 0.00 1.01 0.00 0.00 42.92 44.34 2kys s ASP 46 CO 0.57 -1.00 1.46 0.74 0.21 0.00 0.00 175.17 177.14 2kys h THR 47 N 2.04 0.00 -0.26 -1.27 2.02 -1.97 -0.80 112.91 112.66 2kys h THR 47 Ca -0.29 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2kys h THR 47 Cb 1.25 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kys h THR 47 CO 0.45 0.00 0.05 0.00 0.37 0.00 0.00 175.52 176.39 2kys h THR 48 N -0.87 1.23 0.00 3.16 1.03 -2.00 -2.72 112.91 112.74 2kys h THR 48 Ca -0.06 -0.76 -0.00 0.00 -0.01 0.00 0.00 66.41 65.58 2kys h THR 48 Cb 0.74 1.22 -0.00 0.00 -1.07 0.00 0.00 68.15 69.04 2kys h THR 48 CO -0.02 0.24 -0.02 -0.08 -0.01 0.00 0.00 175.52 175.64 2kys h GLU 49 N 0.25 0.00 0.17 0.00 4.57 -1.97 0.12 114.58 117.71 2kys h GLU 49 Ca 0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2kys h GLU 49 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2kys h GLU 49 CO 0.00 0.02 -0.08 0.00 -1.18 0.00 0.00 179.01 177.77 2kys h ALA 50 N 1.98 -0.22 0.00 2.92 0.00 -0.81 -3.33 119.26 119.81 2kys h ALA 50 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2kys h ALA 50 Cb 0.24 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kys h ALA 50 CO 0.00 -0.45 -0.85 0.27 0.00 0.00 0.00 179.25 178.22 2kys h PHE 51 N -0.56 0.00 0.00 0.00 -0.00 -1.20 -3.31 116.94 111.87 2kys h PHE 51 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 2kys h PHE 51 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.38 2kys h PHE 51 CO 0.03 0.42 0.00 0.93 -0.00 0.00 0.00 178.31 179.69 2kys h GLU 52 N 0.00 0.00 0.04 6.09 4.39 -0.95 0.33 114.58 124.48 2kys h GLU 52 Ca -0.06 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.31 2kys h GLU 52 Cb 1.37 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 2kys h GLU 52 CO 0.04 0.00 -1.91 0.36 -1.16 0.00 0.00 179.01 176.35 2kys n LYS 53 N -2.88 0.68 0.13 2.33 2.85 -1.24 -4.34 118.16 115.68 2kys n LYS 53 Ca -0.02 0.25 -0.00 0.00 -1.05 0.00 0.00 58.31 57.49 2kys n LYS 53 Cb 0.08 -1.73 0.27 0.00 -0.65 0.00 0.00 35.03 33.01 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 0.02 0.14 -0.12 -1.58 -0.00 -1.04 -2.48 114.93 109.87 2kys h MET 54 Ca -0.37 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.70 59.19 2kys h MET 54 Cb 2.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.62 2kys h MET 54 CO 0.07 0.52 -0.26 -0.39 -0.00 0.00 0.00 176.91 176.84 2kys h VAL 55 N 0.12 1.24 -0.04 -0.10 -1.51 -1.65 -2.09 116.25 112.21 2kys h VAL 55 Ca 0.01 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 2kys h VAL 55 Cb 0.76 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2kys h VAL 55 CO 0.06 0.34 0.00 -1.20 -1.23 0.00 0.00 177.57 175.54 2kys n SER 56 N -4.16 0.93 -0.11 4.19 7.64 -0.95 -3.38 113.62 117.78 2kys n SER 56 Ca -0.01 -1.41 -0.24 0.00 1.01 0.00 0.00 58.87 58.22 2kys n SER 56 Cb 0.37 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.24 2.28 0.00 -3.43 0.00 -0.84 -4.48 117.00 110.29 2kys n LEU 57 Ca 0.19 0.22 0.07 0.00 0.00 0.00 0.00 56.01 56.49 2kys n LEU 57 Cb 0.24 -0.91 0.43 0.00 0.00 0.00 0.00 43.42 43.18 2kys n LEU 57 CO 0.15 0.64 0.65 0.00 0.00 0.00 0.00 177.39 178.84 2kys n LEU 58 N -3.94 0.00 -0.03 -1.96 -0.00 -0.87 -2.40 117.00 107.80 2kys n LEU 58 Ca -0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.52 2kys n LEU 58 Cb 0.89 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.27 2kys n LEU 58 CO 0.17 0.00 -0.71 -0.24 -0.00 0.00 0.00 177.39 176.61 2kys n SER 59 N -0.88 3.53 0.15 1.45 2.88 -1.26 -4.57 113.62 114.92 2kys n SER 59 Ca 0.11 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2kys n SER 59 Cb 0.05 0.35 0.25 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.00 1.36 -0.12 2.46 3.04 -1.70 -1.45 116.25 119.84 2kys h VAL 60 Ca -0.16 -1.70 -0.07 0.00 -1.01 0.00 0.00 66.70 63.76 2kys h VAL 60 Cb 1.31 1.90 -0.00 0.00 -2.01 0.00 0.00 31.29 32.50 2kys h VAL 60 CO -0.00 0.49 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.80 2kys h LEU 61 N 0.03 0.37 -1.21 3.16 -0.00 -1.85 -3.31 115.31 112.50 2kys h LEU 61 Ca -0.00 -0.52 0.05 0.00 -0.00 0.00 0.00 57.88 57.40 2kys h LEU 61 Cb 0.89 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 41.39 2kys h LEU 61 CO 0.07 0.82 0.55 -0.07 -0.00 0.00 0.00 178.44 179.81 2kys h LEU 62 N -0.07 0.87 0.00 1.67 3.38 -1.66 0.14 115.31 119.64 2kys h LEU 62 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kys h LEU 62 Cb 0.74 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kys h LEU 62 CO 0.04 0.59 0.00 -0.24 0.09 0.00 0.00 178.44 178.92 2kys n SER 63 N -4.46 0.00 0.00 -0.43 2.88 -0.60 -0.44 113.62 110.57 2kys n SER 63 Ca 0.12 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2kys n SER 63 Cb 0.15 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 -1.26 1.17 0.00 -1.46 0.00 0.39 -4.95 117.12 111.02 2kys n MET 64 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.50 2kys n MET 64 Cb 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 32.58 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 -0.23 1.10 -3.60 3.17 10.64 -0.70 -5.08 117.38 122.67 2kys n GLN 65 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 2kys n GLN 65 Cb 0.05 -0.09 0.05 0.00 -0.86 0.00 0.00 30.24 29.39 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 -1.00 3.55 2.61 0.00 0.42 -4.97 105.19 105.79 2kys n GLY 66 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.46 0.40 0.01 4.61 0.00 -1.26 -5.07 121.76 116.99 2kys s ALA 67 Ca 0.46 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2kys s ALA 67 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kys s ALA 67 CO 0.84 -3.77 -0.09 1.33 0.00 0.00 0.00 175.76 174.07 2kys n VAL 68 N -4.92 0.99 0.35 0.00 0.24 -1.26 -4.83 118.33 108.90 2kys n VAL 68 Ca 0.14 0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 2kys n VAL 68 Cb 0.60 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 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 -3.49 0.40 0.25 -1.34 8.00 -1.26 -4.07 116.55 115.04 2kys n ASP 69 Ca -0.03 -0.70 0.13 0.00 0.71 0.00 0.00 54.79 54.89 2kys n ASP 69 Cb 0.13 -0.17 0.60 0.00 -0.02 0.00 0.00 41.12 41.65 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 0.05 0.42 0.00 0.53 6.09 -1.89 -2.27 117.51 120.44 2kys h ILE 70 Ca 0.00 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 2kys h ILE 70 Cb 0.19 1.59 0.00 0.00 0.47 0.00 0.00 36.82 39.06 2kys h ILE 70 CO 0.00 0.14 -0.18 0.78 -3.07 0.00 0.00 178.15 175.82 2kys h ASN 71 N 0.00 0.00 -0.11 2.19 2.35 -1.96 -3.22 115.58 114.83 2kys h ASN 71 Ca -0.00 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2kys h ASN 71 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 2kys h ASN 71 CO 0.02 0.01 0.08 0.03 -1.65 0.00 0.00 177.43 175.92 2kys h ARG 72 N 0.00 0.00 0.13 0.81 -0.00 -1.74 -0.51 114.38 113.08 2kys h ARG 72 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 2kys h ARG 72 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.85 2kys h ARG 72 CO 0.00 0.00 -0.40 -0.07 0.00 0.00 0.00 179.97 179.50 2kys h LEU 73 N 0.00 -1.17 -0.44 3.04 4.07 -1.71 -2.48 115.31 116.61 2kys h LEU 73 Ca 0.05 0.13 0.08 0.00 0.08 0.00 0.00 57.88 58.23 2kys h LEU 73 Cb 0.22 0.44 -0.07 0.00 1.08 0.00 0.00 40.66 42.33 2kys h LEU 73 CO -0.00 -0.48 0.00 0.00 -1.08 0.00 0.00 178.44 176.88 2kys n GLU 75 N -5.21 0.95 0.00 0.00 1.02 -1.01 -2.94 120.64 113.45 2kys n GLU 75 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2kys n GLU 75 Cb 0.23 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.72 0.00 0.30 3.49 0.00 -0.24 -4.41 120.64 119.06 2kys n GLU 76 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.42 2kys n GLU 76 Cb 0.05 0.00 0.93 0.00 0.00 0.00 0.00 31.44 32.41 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kys h MET 77 N 0.00 0.00 -0.01 5.31 -0.00 -1.60 1.00 114.93 119.62 2kys h MET 77 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 2kys h MET 77 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2kys h MET 77 CO 0.00 0.00 -0.33 1.25 -0.00 0.00 0.00 176.91 177.83 2kys h LEU 78 N 0.00 0.32 -1.17 -0.10 6.46 -1.69 -1.85 115.31 117.28 2kys h LEU 78 Ca 0.00 -0.75 -0.01 0.00 -0.12 0.00 0.00 57.88 57.01 2kys h LEU 78 Cb 0.02 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 2kys h LEU 78 CO -0.00 1.02 0.38 -0.78 -0.62 0.00 0.00 178.44 178.43 2kys h ASP 79 N -0.35 0.85 1.69 1.25 3.58 -1.40 -2.10 116.42 119.93 2kys h ASP 79 Ca -0.04 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2kys h ASP 79 Cb 1.06 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 2kys h ASP 79 CO 0.07 0.68 -0.05 0.78 -2.88 0.00 0.00 179.24 177.84 2kys h ASN 80 N 0.96 0.00 0.42 2.28 2.35 -0.86 -2.66 115.58 118.06 2kys h ASN 80 Ca 0.24 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.68 2kys h ASN 80 Cb 0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kys h ASN 80 CO -0.04 0.05 -1.51 0.08 -1.65 0.00 0.00 177.43 174.37 2kys h ARG 81 N 0.00 0.32 0.00 0.81 -0.00 -1.09 -3.38 114.38 111.04 2kys h ARG 81 Ca -0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 59.98 59.43 2kys h ARG 81 Cb 0.91 0.21 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 2kys h ARG 81 CO 0.01 1.22 0.00 0.00 -0.00 0.00 0.00 179.97 181.20 2kys n ALA 82 N -2.68 2.10 0.02 0.08 0.00 -0.81 -2.47 120.51 116.75 2kys n ALA 82 Ca -0.16 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.27 2kys n ALA 82 Cb 1.06 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 2kys n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kys n THR 83 N -1.07 0.30 1.30 0.00 5.66 -1.03 -4.39 114.28 115.06 2kys n THR 83 Ca 0.12 -0.54 0.14 0.00 -3.05 0.00 0.00 64.05 60.72 2kys n THR 83 Cb 0.08 -0.15 0.70 0.00 -1.55 0.00 0.00 70.33 69.41 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 -2.43 0.00 0.00 1.09 4.32 -1.03 -5.14 117.00 113.80 2kys n LEU 84 Ca -0.04 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2kys n LEU 84 Cb 0.60 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 2kys n LEU 84 CO 0.44 -0.02 0.00 0.00 -1.22 0.00 0.00 177.39 176.59