#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 -1.62 -4.22 1.61 -0.00 -1.26 -4.92 115.22 104.80 2kys n HIS 2 Ca 0.00 0.60 -0.17 0.00 0.46 0.00 0.00 57.72 58.61 2kys n HIS 2 Cb 0.00 -2.45 -0.07 0.00 -0.12 0.00 0.00 29.99 27.35 2kys n HIS 2 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2kys s SER 3 N -2.99 1.25 0.51 0.26 1.04 -1.26 -5.15 113.70 107.36 2kys s SER 3 Ca 0.61 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2kys s SER 3 Cb -0.34 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2kys s SER 3 CO 0.75 -1.08 0.00 2.29 0.98 0.00 0.00 173.24 176.18 2kys n LYS 4 N -0.55 -3.17 -2.00 4.02 2.85 -1.26 -4.59 118.16 113.46 2kys n LYS 4 Ca 0.05 2.40 -0.43 0.00 -1.05 0.00 0.00 58.31 59.28 2kys n LYS 4 Cb 0.63 -3.78 -0.03 0.00 -0.65 0.00 0.00 35.03 31.20 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys s MET 5 N -3.45 3.42 1.33 -1.58 0.00 -1.26 -5.03 119.30 112.74 2kys s MET 5 Ca 0.00 1.51 -0.20 0.00 0.00 0.00 0.00 55.69 57.00 2kys s MET 5 Cb 0.00 -4.18 0.34 0.00 0.00 0.00 0.00 34.83 30.99 2kys s MET 5 CO 0.00 -1.76 0.98 -1.12 0.00 0.00 0.00 175.02 173.12 2kys s SER 6 N 5.82 -0.33 -1.05 -1.18 0.01 -1.26 -4.91 113.70 110.81 2kys s SER 6 Ca 0.79 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.93 2kys s SER 6 Cb -0.24 -1.35 0.28 0.00 0.21 0.00 0.00 66.02 64.92 2kys s SER 6 CO 0.33 -4.92 1.16 -0.67 0.41 0.00 0.00 173.24 169.55 2kys n ASP 7 N -5.34 5.49 -0.75 2.44 2.03 -1.26 -4.87 116.55 114.28 2kys n ASP 7 Ca 0.11 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.23 2kys n ASP 7 Cb 0.59 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2kys n ASP 7 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kys n VAL 8 N 2.10 0.41 1.25 5.18 0.31 -1.26 -4.62 118.33 121.70 2kys n VAL 8 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2kys n VAL 8 Cb 0.37 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.35 0.65 -3.70 5.55 2.85 -1.26 -4.86 118.16 117.74 2kys n LYS 9 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 2kys n LYS 9 Cb 0.30 -1.03 0.01 0.00 -0.65 0.00 0.00 35.03 33.67 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 -3.30 0.00 -1.45 0.00 5.66 -1.26 -4.97 114.28 108.96 2kys n THR 11 Ca -0.18 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.35 2kys n THR 11 Cb 0.62 -0.42 -0.09 0.00 -1.55 0.00 0.00 70.33 68.88 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 -1.01 1.54 0.29 1.09 7.64 -1.26 -4.83 113.62 117.08 2kys n SER 12 Ca 0.00 0.24 0.16 0.00 1.01 0.00 0.00 58.87 60.28 2kys n SER 12 Cb 0.00 -1.19 0.88 0.00 -1.01 0.00 0.00 64.21 62.90 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 7.39 0.39 -0.75 0.44 -1.51 -2.01 -3.20 116.25 117.00 2kys h VAL 13 Ca -0.19 -0.27 0.10 0.00 -1.23 0.00 0.00 66.70 65.11 2kys h VAL 13 Cb 1.32 1.19 -0.05 0.00 -2.13 0.00 0.00 31.29 31.62 2kys h VAL 13 CO 1.14 0.05 0.50 0.58 -1.23 0.00 0.00 177.57 178.60 2kys h VAL 14 N 0.00 0.93 0.00 7.19 2.07 -1.97 0.18 116.25 124.65 2kys h VAL 14 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2kys h VAL 14 Cb 0.19 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2kys h VAL 14 CO 0.01 0.12 -0.43 -0.07 0.02 0.00 0.00 177.57 177.22 2kys h LEU 15 N 0.65 0.00 0.00 2.57 -0.00 -1.92 -3.37 115.31 113.24 2kys h LEU 15 Ca 0.35 -0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 15 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.08 2kys h LEU 15 CO -0.13 0.00 -2.48 0.18 -0.00 0.00 0.00 178.44 176.02 2kys n LEU 16 N -2.89 2.93 -0.17 1.67 4.77 -0.13 -4.44 117.00 118.74 2kys n LEU 16 Ca 0.02 -0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 2kys n LEU 16 Cb 0.53 -0.89 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2kys n LEU 16 CO 0.36 0.93 1.00 0.28 -1.33 0.00 0.00 177.39 178.63 2kys h SER 17 N 0.00 0.29 0.00 -1.43 0.02 -1.24 0.18 113.55 111.36 2kys h SER 17 Ca -0.58 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2kys h SER 17 Cb 1.91 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2kys h SER 17 CO -0.09 0.20 0.67 -0.37 -1.14 0.00 0.00 176.83 176.10 2kys h VAL 18 N 0.44 0.00 0.00 2.27 -1.51 -1.78 -0.95 116.25 114.72 2kys h VAL 18 Ca 0.24 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.45 2kys h VAL 18 Cb 0.20 0.18 -0.04 0.00 -2.13 0.00 0.00 31.29 29.50 2kys h VAL 18 CO -0.20 0.00 -1.85 0.18 -1.23 0.00 0.00 177.57 174.47 2kys n LEU 19 N -2.26 1.13 0.25 4.19 4.77 0.49 -4.47 117.00 121.11 2kys n LEU 19 Ca -0.01 0.20 0.17 0.00 -0.03 0.00 0.00 56.01 56.34 2kys n LEU 19 Cb 0.68 -0.47 0.80 0.00 -2.33 0.00 0.00 43.42 42.10 2kys n LEU 19 CO 0.04 0.30 1.00 0.06 -1.33 0.00 0.00 177.39 177.47 2kys h GLN 20 N -0.57 0.00 -1.01 3.23 3.07 -1.15 -1.39 115.11 117.29 2kys h GLN 20 Ca -0.39 0.00 0.27 0.00 0.09 0.00 0.00 58.65 58.62 2kys h GLN 20 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.82 2kys h GLN 20 CO -0.24 0.00 0.69 1.96 0.09 0.00 0.00 178.83 181.34 2kys h GLN 21 N 0.00 0.20 0.00 0.06 4.20 -1.39 -3.40 115.11 114.77 2kys h GLN 21 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2kys h GLN 21 Cb 0.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2kys h GLN 21 CO 0.00 0.13 0.00 1.28 -0.67 0.00 0.00 178.83 179.57 2kys n LEU 22 N -4.41 0.00 -0.44 1.46 7.99 -0.53 -5.06 117.00 116.01 2kys n LEU 22 Ca 0.23 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.21 2kys n LEU 22 Cb 0.95 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 44.25 2kys n LEU 22 CO 0.33 0.00 0.10 -2.11 -1.51 0.00 0.00 177.39 174.20 2kys n ARG 23 N -0.53 0.00 -1.56 3.23 0.00 -1.21 -5.15 116.66 111.44 2kys n ARG 23 Ca 0.00 -0.18 -0.39 0.00 -0.00 0.00 0.00 57.85 57.28 2kys n ARG 23 Cb 0.00 0.28 0.04 0.00 -0.00 0.00 0.00 32.46 32.78 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 0.00 2.90 -3.70 8.89 3.14 -1.20 -4.97 118.33 123.38 2kys n VAL 24 Ca -0.05 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.44 2kys n VAL 24 Cb 0.29 -0.96 -0.12 0.00 -1.06 0.00 0.00 33.84 31.99 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 -2.34 2.61 0.65 1.45 2.02 -1.26 -4.92 118.70 116.91 2kys s GLU 25 Ca 0.71 -1.25 0.42 0.00 0.02 0.00 0.00 54.97 54.86 2kys s GLU 25 Cb -0.46 -3.57 2.30 0.00 0.10 0.00 0.00 34.13 32.50 2kys s GLU 25 CO 0.52 -0.75 2.30 0.66 0.02 0.00 0.00 175.26 178.01 2kys h SER 26 N 8.28 0.00 0.20 -0.19 4.64 -1.98 -0.64 113.55 123.85 2kys h SER 26 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2kys h SER 26 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2kys h SER 26 CO 0.65 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 176.37 2kys n SER 27 N -3.02 0.00 -4.39 4.97 2.88 -1.26 -4.79 113.62 108.01 2kys n SER 27 Ca -0.03 -0.20 -0.28 0.00 -1.33 0.00 0.00 58.87 57.03 2kys n SER 27 Cb 0.10 -0.17 -0.13 0.00 -0.75 0.00 0.00 64.21 63.26 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kys s SER 28 N -2.35 3.27 0.57 -3.46 0.15 -0.25 -5.01 113.70 106.62 2kys s SER 28 Ca 0.21 -0.78 0.29 0.00 0.70 0.00 0.00 55.95 56.37 2kys s SER 28 Cb 0.12 -0.22 1.47 0.00 -1.71 0.00 0.00 66.02 65.68 2kys s SER 28 CO 0.24 0.15 1.90 0.07 1.20 0.00 0.00 173.24 176.81 2kys h LYS 29 N 3.70 0.00 -0.36 5.44 -0.00 -1.86 -2.93 116.57 120.56 2kys h LYS 29 Ca -0.49 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.22 2kys h LYS 29 Cb 1.18 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.35 2kys h LYS 29 CO 0.42 0.00 -0.01 1.25 -0.00 0.00 0.00 179.45 181.11 2kys h LEU 30 N 0.00 -0.16 -0.43 7.07 7.12 -1.95 0.32 115.31 127.28 2kys h LEU 30 Ca 0.28 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.46 2kys h LEU 30 Cb 1.33 0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 41.53 2kys h LEU 30 CO -0.00 -0.05 -0.09 -0.25 -0.13 0.00 0.00 178.44 177.92 2kys h TRP 31 N 0.09 -0.19 -0.25 1.25 7.01 -1.64 -2.51 115.95 119.70 2kys h TRP 31 Ca 0.17 0.04 -0.13 0.00 2.11 0.00 0.00 58.89 61.08 2kys h TRP 31 Cb 0.24 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2kys h TRP 31 CO -0.26 -0.17 -0.38 0.00 -2.79 0.00 0.00 178.44 174.85 2kys h ALA 32 N 1.42 0.88 -0.07 2.65 0.00 -1.39 -3.17 119.26 119.58 2kys h ALA 32 Ca 0.21 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kys h ALA 32 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kys h ALA 32 CO -0.43 0.64 0.41 1.96 0.00 0.00 0.00 179.25 181.83 2kys h GLN 33 N 0.47 0.00 0.00 0.00 1.08 0.05 0.07 115.11 116.78 2kys h GLN 33 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2kys h GLN 33 Cb 0.87 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2kys h GLN 33 CO 0.07 0.00 -0.14 0.00 -0.95 0.00 0.00 178.83 177.81 2kys h VAL 35 N -0.47 1.25 0.00 0.00 3.04 -1.40 -1.20 116.25 117.47 2kys h VAL 35 Ca 0.00 -0.82 -0.03 0.00 -1.01 0.00 0.00 66.70 64.84 2kys h VAL 35 Cb 0.14 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2kys h VAL 35 CO 0.00 0.32 -0.14 0.06 -1.01 0.00 0.00 177.57 176.80 2kys h GLN 36 N 0.99 0.00 0.03 4.17 -0.00 -1.27 -3.03 115.11 116.00 2kys h GLN 36 Ca 0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.58 2kys h GLN 36 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.70 2kys h GLN 36 CO -0.01 0.14 -1.64 1.25 -0.00 0.00 0.00 178.83 178.57 2kys h LEU 37 N 0.00 0.11 -0.23 0.06 6.46 -1.40 -3.19 115.31 117.11 2kys h LEU 37 Ca -0.00 -0.21 0.05 0.00 -0.12 0.00 0.00 57.88 57.61 2kys h LEU 37 Cb 0.44 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 2kys h LEU 37 CO 0.02 1.18 -0.11 -0.74 -0.62 0.00 0.00 178.44 178.17 2kys h HIS 38 N 0.02 -0.27 -0.72 1.25 2.76 -1.24 -1.60 115.15 115.35 2kys h HIS 38 Ca -0.27 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.87 2kys h HIS 38 Cb 1.99 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 31.07 2kys h HIS 38 CO 0.02 -0.17 0.21 -2.95 -1.30 0.00 0.00 177.93 173.74 2kys h ASN 39 N -0.08 1.06 0.00 3.26 7.08 -1.71 -2.64 115.58 122.54 2kys h ASN 39 Ca 0.12 -0.21 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 2kys h ASN 39 Cb 0.27 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 36.23 2kys h ASN 39 CO -0.29 0.99 0.11 0.44 -2.08 0.00 0.00 177.43 176.60 2kys h ASP 40 N 1.07 0.00 0.54 6.14 3.32 -1.29 0.29 116.42 126.49 2kys h ASP 40 Ca 0.23 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2kys h ASP 40 Cb 0.32 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2kys h ASP 40 CO -0.01 0.00 -0.26 0.40 -1.72 0.00 0.00 179.24 177.66 2kys h ILE 41 N 0.00 0.16 0.00 0.35 1.08 -1.03 -2.76 117.51 115.30 2kys h ILE 41 Ca 0.00 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2kys h ILE 41 Cb 0.21 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2kys h ILE 41 CO 0.00 0.03 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.27 2kys h LEU 42 N -1.12 0.00 -2.75 1.44 3.38 -1.11 -2.45 115.31 112.70 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2kys h LEU 42 CO 0.12 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.98 2kys n LEU 43 N -3.68 4.14 -4.60 1.67 4.77 -0.25 -5.01 117.00 114.03 2kys n LEU 43 Ca -0.02 -2.08 -0.30 0.00 -0.03 0.00 0.00 56.01 53.58 2kys n LEU 43 Cb 0.27 -0.52 0.23 0.00 -2.33 0.00 0.00 43.42 41.07 2kys n LEU 43 CO 0.31 0.81 0.62 0.00 -1.33 0.00 0.00 177.39 177.81 2kys s ALA 44 N -1.55 0.63 0.04 -1.18 0.00 -0.92 -4.95 121.76 113.83 2kys s ALA 44 Ca 0.47 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2kys s ALA 44 Cb 0.28 -2.93 -0.17 0.00 0.00 0.00 0.00 23.12 20.29 2kys s ALA 44 CO 0.26 -3.47 1.34 0.87 0.00 0.00 0.00 175.76 174.77 2kys h LYS 45 N -2.47 -0.90 -4.10 0.00 1.79 -1.89 -3.49 116.57 105.52 2kys h LYS 45 Ca -0.47 0.06 -0.28 0.00 -2.18 0.00 0.00 60.65 57.78 2kys h LYS 45 Cb 1.30 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 32.08 2kys h LYS 45 CO 0.39 -0.57 -0.17 -0.51 -1.08 0.00 0.00 179.45 177.51 2kys s ASP 46 N -4.45 0.97 0.13 0.86 1.11 -1.26 -5.04 116.67 108.99 2kys s ASP 46 Ca -0.16 -1.51 -0.33 0.00 0.18 0.00 0.00 52.55 50.73 2kys s ASP 46 Cb 0.02 0.68 -0.11 0.00 1.07 0.00 0.00 42.92 44.59 2kys s ASP 46 CO 0.52 -1.34 1.55 0.74 1.18 0.00 0.00 175.17 177.83 2kys h THR 47 N 2.08 0.00 -0.40 -1.27 2.02 -1.94 0.55 112.91 113.95 2kys h THR 47 Ca -0.28 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 2kys h THR 47 Cb 1.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2kys h THR 47 CO 0.39 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 176.02 2kys h THR 48 N -0.38 1.28 0.00 3.16 1.03 -1.99 -2.30 112.91 113.71 2kys h THR 48 Ca 0.08 -1.42 -0.00 0.00 -0.01 0.00 0.00 66.41 65.06 2kys h THR 48 Cb 0.59 1.31 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2kys h THR 48 CO -0.62 0.48 -0.02 -0.08 -0.01 0.00 0.00 175.52 175.27 2kys h GLU 49 N 0.70 0.00 0.48 0.00 4.57 -1.87 0.25 114.58 118.72 2kys h GLU 49 Ca 0.08 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2kys h GLU 49 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2kys h GLU 49 CO 0.07 0.02 -0.23 0.00 -1.18 0.00 0.00 179.01 177.69 2kys h ALA 50 N 1.98 -0.80 0.00 2.92 0.00 -0.31 -3.30 119.26 119.75 2kys h ALA 50 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kys h ALA 50 Cb 0.24 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kys h ALA 50 CO 0.00 -0.75 -0.10 0.27 0.00 0.00 0.00 179.25 178.67 2kys h PHE 51 N -0.93 0.00 -0.32 0.00 -5.15 -1.38 -3.18 116.94 105.99 2kys h PHE 51 Ca -0.07 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.80 2kys h PHE 51 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.65 2kys h PHE 51 CO 0.04 0.10 0.47 0.93 -2.00 0.00 0.00 178.31 177.85 2kys h GLU 52 N 0.00 0.00 0.00 6.09 4.39 -1.03 0.11 114.58 124.13 2kys h GLU 52 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2kys h GLU 52 Cb 0.67 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 2kys h GLU 52 CO 0.01 0.00 -2.32 0.36 -1.16 0.00 0.00 179.01 175.91 2kys n LYS 53 N -3.42 0.80 -0.07 2.33 2.85 -1.20 -4.24 118.16 115.21 2kys n LYS 53 Ca 0.05 -0.02 -0.07 0.00 -1.05 0.00 0.00 58.31 57.22 2kys n LYS 53 Cb 0.62 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.60 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 0.00 0.74 0.00 -1.58 -0.00 -0.97 -2.09 114.93 111.03 2kys h MET 54 Ca -0.50 -0.30 -0.03 0.00 -0.00 0.00 0.00 59.70 58.87 2kys h MET 54 Cb 2.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 33.70 2kys h MET 54 CO 0.03 0.90 -0.14 0.28 -0.00 0.00 0.00 176.91 177.98 2kys h VAL 55 N 0.64 0.53 0.18 -0.10 2.07 -1.22 -1.86 116.25 116.49 2kys h VAL 55 Ca 0.09 -0.65 -0.31 0.00 0.82 0.00 0.00 66.70 66.65 2kys h VAL 55 Cb 0.73 1.44 0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2kys h VAL 55 CO 0.06 0.13 -1.34 0.28 0.02 0.00 0.00 177.57 176.73 2kys h SER 56 N 0.00 0.77 0.23 0.57 0.02 -1.68 -3.37 113.55 110.08 2kys h SER 56 Ca -0.00 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.17 2kys h SER 56 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2kys h SER 56 CO 0.02 1.59 -0.15 0.25 -1.14 0.00 0.00 176.83 177.40 2kys h LEU 57 N 0.18 -0.38 -0.21 5.07 6.46 -0.65 -2.68 115.31 123.10 2kys h LEU 57 Ca -0.20 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2kys h LEU 57 Cb 2.02 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2kys h LEU 57 CO 0.25 -0.24 0.00 0.00 -0.62 0.00 0.00 178.44 177.82 2kys n LEU 58 N -5.27 0.09 -0.01 2.25 -0.00 -0.97 -1.99 117.00 111.10 2kys n LEU 58 Ca -0.09 0.54 0.06 0.00 -0.00 0.00 0.00 56.01 56.52 2kys n LEU 58 Cb 0.19 -0.55 -0.09 0.00 -0.00 0.00 0.00 43.42 42.97 2kys n LEU 58 CO 0.33 -0.52 -0.63 -0.24 -0.00 0.00 0.00 177.39 176.33 2kys n SER 59 N -1.62 2.37 -0.03 1.45 2.88 -1.03 -4.00 113.62 113.64 2kys n SER 59 Ca 0.00 -0.01 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 2kys n SER 59 Cb 0.04 1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 64.92 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 1.46 -0.01 2.46 3.04 -1.20 -3.10 116.25 118.90 2kys h VAL 60 Ca 0.00 -1.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 2kys h VAL 60 Cb 0.52 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2kys h VAL 60 CO 0.00 0.39 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.83 2kys h LEU 61 N -0.47 0.05 -1.45 3.16 3.38 -1.77 -2.80 115.31 115.41 2kys h LEU 61 Ca -0.00 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 2kys h LEU 61 Cb 0.67 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2kys h LEU 61 CO 0.01 0.76 0.18 -0.07 0.09 0.00 0.00 178.44 179.42 2kys h LEU 62 N -0.65 0.50 0.00 1.67 4.07 -1.75 0.28 115.31 119.42 2kys h LEU 62 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2kys h LEU 62 Cb 0.76 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2kys h LEU 62 CO 0.01 0.43 0.00 -0.24 -1.08 0.00 0.00 178.44 177.56 2kys n SER 63 N -4.40 0.00 0.00 -0.43 2.88 -1.07 -2.32 113.62 108.27 2kys n SER 63 Ca 0.03 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 2kys n SER 63 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.89 1.55 0.00 -1.46 0.00 0.71 -4.99 117.12 112.03 2kys n MET 64 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 2kys n MET 64 Cb 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.35 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 -1.36 0.00 -3.63 3.17 10.64 0.30 -5.09 117.38 121.41 2kys n GLN 65 Ca 0.00 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.93 2kys n GLN 65 Cb 0.10 -0.18 0.04 0.00 -0.86 0.00 0.00 30.24 29.34 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 -0.69 3.98 2.61 0.00 -0.98 -4.98 105.19 105.12 2kys n GLY 66 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.57 4.05 -0.17 4.61 0.00 -1.26 -5.08 121.76 120.33 2kys s ALA 67 Ca 0.25 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 2kys s ALA 67 Cb -0.07 -1.88 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 2kys s ALA 67 CO 0.82 -0.25 -0.29 1.33 0.00 0.00 0.00 175.76 177.37 2kys n VAL 68 N -1.89 1.36 0.02 0.00 0.24 -1.26 -4.73 118.33 112.08 2kys n VAL 68 Ca 0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2kys n VAL 68 Cb 0.58 -2.03 0.01 0.00 -1.47 0.00 0.00 33.84 30.93 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 -4.16 0.00 0.22 -1.34 9.92 -1.26 -3.82 116.55 116.10 2kys n ASP 69 Ca -0.26 -0.01 0.06 0.00 -0.53 0.00 0.00 54.79 54.04 2kys n ASP 69 Cb 0.60 0.00 0.49 0.00 -0.64 0.00 0.00 41.12 41.57 2kys n ASP 69 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2kys h ILE 70 N 0.00 1.06 -0.02 0.53 6.09 -1.87 -0.99 117.51 122.32 2kys h ILE 70 Ca 0.00 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 2kys h ILE 70 Cb 0.00 1.48 0.00 0.00 0.47 0.00 0.00 36.82 38.77 2kys h ILE 70 CO 0.00 0.24 0.00 0.59 -3.07 0.00 0.00 178.15 175.91 2kys n ASN 71 N -4.09 1.86 0.17 2.19 5.03 -1.25 -3.61 115.26 115.57 2kys n ASN 71 Ca -0.02 -1.62 -0.10 0.00 0.87 0.00 0.00 54.58 53.71 2kys n ASN 71 Cb 0.31 -0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.01 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 2.92 -0.49 -0.18 3.52 -0.00 -1.47 -3.36 114.38 115.32 2kys h ARG 72 Ca 0.00 0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 2kys h ARG 72 Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 2kys h ARG 72 CO 0.00 -0.23 0.06 1.37 0.00 0.00 0.00 179.97 181.17 2kys h LEU 73 N -1.05 0.23 0.46 3.04 -0.00 -1.63 -2.08 115.31 114.26 2kys h LEU 73 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 2kys h LEU 73 Cb 0.49 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2kys h LEU 73 CO 0.09 0.23 -0.51 0.00 -0.00 0.00 0.00 178.44 178.24 2kys h GLU 75 N -0.99 0.00 0.02 0.00 5.08 -1.58 0.45 114.58 117.55 2kys h GLU 75 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kys h GLU 75 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kys h GLU 75 CO -0.09 0.00 -0.01 1.49 -1.00 0.00 0.00 179.01 179.40 2kys h GLU 76 N 0.00 -0.02 -0.07 2.33 4.81 -1.11 -3.34 114.58 117.18 2kys h GLU 76 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2kys h GLU 76 Cb 0.43 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kys h GLU 76 CO 0.00 -0.02 -0.44 0.00 -0.73 0.00 0.00 179.01 177.82 2kys h MET 77 N -0.58 0.16 0.00 1.92 -0.00 -0.89 -1.70 114.93 113.83 2kys h MET 77 Ca -0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 2kys h MET 77 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2kys h MET 77 CO 0.00 0.58 -0.15 1.25 -0.00 0.00 0.00 176.91 178.59 2kys h LEU 78 N 0.13 0.00 0.00 -0.10 5.85 -1.11 -2.59 115.31 117.50 2kys h LEU 78 Ca 0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.52 2kys h LEU 78 Cb 0.84 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2kys h LEU 78 CO 0.06 0.15 -1.62 0.47 -0.34 0.00 0.00 178.44 177.17 2kys n ASP 79 N -4.33 0.73 0.25 1.25 9.92 -0.96 -3.35 116.55 120.05 2kys n ASP 79 Ca -0.03 0.33 0.09 0.00 -0.53 0.00 0.00 54.79 54.66 2kys n ASP 79 Cb 0.22 0.29 0.63 0.00 -0.64 0.00 0.00 41.12 41.62 2kys n ASP 79 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2kys h ASN 80 N 0.00 0.00 0.01 -2.24 2.35 -0.96 -0.77 115.58 113.97 2kys h ASN 80 Ca -0.23 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.28 2kys h ASN 80 Cb 1.73 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.12 2kys h ASN 80 CO 0.05 0.15 -0.96 0.08 -1.65 0.00 0.00 177.43 175.10 2kys h ARG 81 N 0.00 0.64 0.00 0.81 0.11 -1.58 -3.38 114.38 110.97 2kys h ARG 81 Ca -0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 59.98 59.37 2kys h ARG 81 Cb 0.33 0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 2kys h ARG 81 CO 0.02 1.28 -0.05 0.00 0.10 0.00 0.00 179.97 181.32 2kys h ALA 82 N 0.37 1.01 0.00 0.08 0.00 -1.20 -0.76 119.26 118.76 2kys h ALA 82 Ca -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kys h ALA 82 Cb 1.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2kys h ALA 82 CO 0.19 0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 2kys h THR 83 N 0.00 0.82 -0.50 0.00 1.03 -1.40 -1.69 112.91 111.17 2kys h THR 83 Ca -0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 2kys h THR 83 Cb 0.61 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2kys h THR 83 CO 0.01 0.09 0.00 0.18 -0.01 0.00 0.00 175.52 175.78 2kys n LEU 84 N -4.08 3.54 0.00 0.00 4.77 -0.33 -5.16 117.00 115.74 2kys n LEU 84 Ca -0.03 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 2kys n LEU 84 Cb 0.17 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2kys n LEU 84 CO 0.32 0.82 0.00 0.00 -1.33 0.00 0.00 177.39 177.20