#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 -0.20 0.02 1.61 5.65 -1.26 -5.18 115.29 115.94 2kys s HIS 2 Ca 0.00 0.45 0.04 0.00 0.25 0.00 0.00 55.06 55.80 2kys s HIS 2 Cb 0.00 0.07 -0.02 0.00 -1.18 0.00 0.00 32.58 31.45 2kys s HIS 2 CO 0.00 -0.22 -0.13 -1.12 -0.65 0.00 0.00 174.74 172.63 2kys s SER 3 N -0.44 1.49 0.00 9.88 0.01 -1.26 -5.06 113.70 118.32 2kys s SER 3 Ca -0.05 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2kys s SER 3 Cb -0.04 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2kys s SER 3 CO 0.01 0.06 0.67 2.29 0.41 0.00 0.00 173.24 176.68 2kys n LYS 4 N 2.21 0.98 -0.35 12.44 -0.00 -1.26 -4.95 118.16 127.22 2kys n LYS 4 Ca -0.17 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.19 2kys n LYS 4 Cb 0.55 -1.32 -0.01 0.00 -0.00 0.00 0.00 35.03 34.25 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys n MET 5 N 0.19 -0.70 -4.02 -1.58 0.00 -1.26 -5.09 117.12 104.66 2kys n MET 5 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 57.70 58.06 2kys n MET 5 Cb 0.33 -0.85 -0.07 0.00 0.00 0.00 0.00 33.22 32.63 2kys n MET 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2kys s SER 6 N -3.31 0.00 -1.57 3.17 1.04 -1.26 -5.07 113.70 106.71 2kys s SER 6 Ca 0.00 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 2kys s SER 6 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2kys s SER 6 CO 0.00 -0.99 2.74 -0.67 0.98 0.00 0.00 173.24 175.30 2kys n ASP 7 N -0.30 7.41 -3.83 7.02 2.03 -1.26 -4.80 116.55 122.81 2kys n ASP 7 Ca -0.03 -2.67 -0.42 0.00 0.52 0.00 0.00 54.79 52.19 2kys n ASP 7 Cb 0.63 -1.58 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 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 3.93 5.38 0.86 5.18 0.31 -1.26 -4.50 118.33 128.22 2kys n VAL 8 Ca 0.71 -5.54 0.10 0.00 -0.01 0.00 0.00 64.34 59.59 2kys n VAL 8 Cb 0.27 -1.98 0.04 0.00 -0.91 0.00 0.00 33.84 31.26 2kys n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2kys n LYS 9 N 1.41 1.63 -3.90 5.55 4.01 -1.26 -4.97 118.16 120.63 2kys n LYS 9 Ca 0.37 -1.28 -0.27 0.00 -0.51 0.00 0.00 58.31 56.62 2kys n LYS 9 Cb 0.31 -1.38 -0.01 0.00 -0.51 0.00 0.00 35.03 33.44 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kys n THR 11 N -4.38 0.00 -2.88 0.00 5.66 -1.26 -4.84 114.28 106.57 2kys n THR 11 Ca -0.26 -0.42 -0.02 0.00 -3.05 0.00 0.00 64.05 60.30 2kys n THR 11 Cb 0.66 -0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 68.45 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 -4.76 -4.83 0.30 1.09 7.64 -1.26 -4.81 113.62 106.98 2kys n SER 12 Ca 0.03 1.09 0.15 0.00 1.01 0.00 0.00 58.87 61.16 2kys n SER 12 Cb 0.54 -3.32 0.83 0.00 -1.01 0.00 0.00 64.21 61.25 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 4.36 0.00 0.00 0.44 -1.51 -2.00 -2.84 116.25 114.71 2kys h VAL 13 Ca -0.22 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2kys h VAL 13 Cb 0.60 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2kys h VAL 13 CO 0.01 0.00 -0.16 0.58 -1.23 0.00 0.00 177.57 176.77 2kys h VAL 14 N 0.00 0.87 0.00 7.19 2.07 -2.00 0.18 116.25 124.55 2kys h VAL 14 Ca 0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kys h VAL 14 Cb 0.45 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2kys h VAL 14 CO 0.00 0.16 -0.00 -0.07 0.02 0.00 0.00 177.57 177.68 2kys h LEU 15 N 0.00 -0.00 -0.70 2.57 -0.00 -1.81 -3.35 115.31 112.02 2kys h LEU 15 Ca -0.00 -0.89 -0.06 0.00 -0.00 0.00 0.00 57.88 56.93 2kys h LEU 15 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.97 2kys h LEU 15 CO 0.02 0.90 0.20 -0.07 -0.00 0.00 0.00 178.44 179.49 2kys h LEU 16 N -0.90 1.03 -0.61 1.67 3.38 -1.51 -1.80 115.31 116.57 2kys h LEU 16 Ca -0.00 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kys h LEU 16 Cb 0.89 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2kys h LEU 16 CO 0.00 0.97 0.39 -1.28 0.09 0.00 0.00 178.44 178.61 2kys h SER 17 N 1.03 0.66 0.57 -0.43 0.87 -0.87 -0.64 113.55 114.74 2kys h SER 17 Ca 0.22 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2kys h SER 17 Cb 0.32 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kys h SER 17 CO -0.00 0.47 0.00 0.58 -0.53 0.00 0.00 176.83 177.35 2kys h VAL 18 N 0.79 0.00 0.01 2.23 2.07 -1.47 0.25 116.25 120.13 2kys h VAL 18 Ca 0.23 -0.25 -0.33 0.00 0.82 0.00 0.00 66.70 67.17 2kys h VAL 18 Cb -0.05 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2kys h VAL 18 CO -0.07 0.00 -1.83 0.18 0.02 0.00 0.00 177.57 175.87 2kys n LEU 19 N -2.75 1.98 0.26 2.57 4.32 -0.84 -4.21 117.00 118.33 2kys n LEU 19 Ca -0.00 0.36 0.17 0.00 -0.02 0.00 0.00 56.01 56.52 2kys n LEU 19 Cb 0.19 -0.92 0.75 0.00 -1.62 0.00 0.00 43.42 41.82 2kys n LEU 19 CO 0.21 0.45 1.00 0.06 -1.22 0.00 0.00 177.39 177.88 2kys h GLN 20 N -0.90 0.00 -0.88 3.23 3.07 -1.06 -2.51 115.11 116.06 2kys h GLN 20 Ca -0.50 0.00 0.25 0.00 0.09 0.00 0.00 58.65 58.49 2kys h GLN 20 Cb 1.49 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.00 2kys h GLN 20 CO -0.27 0.00 0.62 1.96 0.09 0.00 0.00 178.83 181.23 2kys h GLN 21 N 0.00 0.06 0.00 0.06 4.20 -1.11 -3.40 115.11 114.92 2kys h GLN 21 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kys h GLN 21 Cb 0.36 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2kys h GLN 21 CO 0.00 0.04 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 2kys n LEU 22 N -4.31 0.00 -1.49 1.46 7.99 -0.95 -5.06 117.00 114.63 2kys n LEU 22 Ca 0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 56.18 2kys n LEU 22 Cb 0.91 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 44.22 2kys n LEU 22 CO 0.37 0.00 0.26 -2.11 -1.51 0.00 0.00 177.39 174.40 2kys n ARG 23 N -0.31 0.09 -1.67 3.23 0.00 -1.23 -5.15 116.66 111.62 2kys n ARG 23 Ca 0.00 -0.09 -0.45 0.00 -0.00 0.00 0.00 57.85 57.31 2kys n ARG 23 Cb 0.00 0.08 -0.03 0.00 -0.00 0.00 0.00 32.46 32.50 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 -0.11 0.53 -1.71 8.89 0.31 -1.16 -4.87 118.33 120.22 2kys n VAL 24 Ca -0.01 -0.13 -0.26 0.00 -0.01 0.00 0.00 64.34 63.92 2kys n VAL 24 Cb 0.51 -1.50 -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 0.16 2.05 0.00 5.55 2.02 -1.26 -4.81 118.70 122.41 2kys s GLU 25 Ca 0.73 0.67 0.10 0.00 0.02 0.00 0.00 54.97 56.49 2kys s GLU 25 Cb -0.66 -4.71 0.54 0.00 0.10 0.00 0.00 34.13 29.40 2kys s GLU 25 CO 0.45 -3.68 1.20 -1.13 0.02 0.00 0.00 175.26 172.12 2kys n SER 26 N 16.25 0.00 -0.58 -0.19 3.41 -1.26 -1.67 113.62 129.58 2kys n SER 26 Ca 0.39 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 59.18 2kys n SER 26 Cb 0.49 -0.24 0.25 0.00 -0.26 0.00 0.00 64.21 64.45 2kys n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2kys n SER 27 N -1.24 1.97 -4.59 4.04 2.88 -1.26 -4.95 113.62 110.48 2kys n SER 27 Ca 0.05 -1.53 -0.25 0.00 -1.33 0.00 0.00 58.87 55.82 2kys n SER 27 Cb 0.07 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 2kys n SER 27 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kys s SER 28 N -2.21 4.03 0.55 -3.46 0.01 -0.67 -5.02 113.70 106.93 2kys s SER 28 Ca 0.28 -1.00 0.24 0.00 1.31 0.00 0.00 55.95 56.78 2kys s SER 28 Cb 0.20 -0.49 1.48 0.00 0.21 0.00 0.00 66.02 67.41 2kys s SER 28 CO 0.42 -0.15 2.09 0.07 0.41 0.00 0.00 173.24 176.07 2kys h LYS 29 N 1.95 0.00 -0.34 12.44 -0.00 -1.95 -2.48 116.57 126.19 2kys h LYS 29 Ca -0.42 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.29 2kys h LYS 29 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.42 2kys h LYS 29 CO 0.65 0.00 -0.05 1.25 -0.00 0.00 0.00 179.45 181.31 2kys h LEU 30 N 0.00 -0.23 -0.71 7.07 7.12 -1.95 0.18 115.31 126.78 2kys h LEU 30 Ca 0.11 0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.34 2kys h LEU 30 Cb 0.51 0.18 -0.09 0.00 -0.53 0.00 0.00 40.66 40.73 2kys h LEU 30 CO -0.00 -0.08 0.29 -0.25 -0.13 0.00 0.00 178.44 178.27 2kys h TRP 31 N 0.04 0.50 -0.08 1.25 7.01 -1.59 -0.76 115.95 122.31 2kys h TRP 31 Ca 0.16 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 2kys h TRP 31 Cb 0.24 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2kys h TRP 31 CO -0.28 0.09 -0.37 0.00 -2.79 0.00 0.00 178.44 175.10 2kys h ALA 32 N 1.50 1.23 -0.02 2.65 0.00 -1.14 -2.19 119.26 121.29 2kys h ALA 32 Ca 0.38 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kys h ALA 32 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kys h ALA 32 CO -0.36 0.53 0.10 1.96 0.00 0.00 0.00 179.25 181.48 2kys h GLN 33 N 0.15 0.00 0.00 0.00 1.08 0.82 0.29 115.11 117.45 2kys h GLN 33 Ca 0.02 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 2kys h GLN 33 Cb 0.72 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 2kys h GLN 33 CO 0.05 0.00 -0.98 0.00 -0.95 0.00 0.00 178.83 176.95 2kys h VAL 35 N -1.00 0.46 0.00 0.00 2.07 -0.62 -2.02 116.25 115.13 2kys h VAL 35 Ca -0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2kys h VAL 35 Cb 0.92 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2kys h VAL 35 CO -0.11 0.00 -0.06 0.06 0.02 0.00 0.00 177.57 177.49 2kys h GLN 36 N -0.64 0.00 0.00 1.57 -0.00 -0.70 -3.20 115.11 112.14 2kys h GLN 36 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2kys h GLN 36 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 2kys h GLN 36 CO 0.04 0.06 -1.09 -0.11 -0.00 0.00 0.00 178.83 177.72 2kys n LEU 37 N -3.20 0.73 0.51 0.06 0.00 -0.84 -3.55 117.00 110.72 2kys n LEU 37 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 56.01 56.07 2kys n LEU 37 Cb 0.31 -0.06 -0.10 0.00 0.00 0.00 0.00 43.42 43.57 2kys n LEU 37 CO 0.28 -0.15 0.56 -0.74 0.00 0.00 0.00 177.39 177.35 2kys h HIS 38 N 0.00 -1.19 -0.35 1.96 2.76 -1.38 -3.14 115.15 113.80 2kys h HIS 38 Ca 0.00 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2kys h HIS 38 Cb 0.97 0.39 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 2kys h HIS 38 CO 0.00 -0.74 0.23 -2.95 -1.30 0.00 0.00 177.93 173.17 2kys h ASN 39 N -1.28 0.31 0.16 3.26 7.08 -1.72 -2.50 115.58 120.89 2kys h ASN 39 Ca -0.13 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.09 2kys h ASN 39 Cb 0.98 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 2kys h ASN 39 CO 0.21 0.21 0.00 0.44 -2.08 0.00 0.00 177.43 176.21 2kys h ASP 40 N 0.36 0.00 0.04 6.14 3.32 -1.59 -1.77 116.42 122.91 2kys h ASP 40 Ca 0.14 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2kys h ASP 40 Cb 0.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.69 2kys h ASP 40 CO -0.03 0.00 -0.46 0.40 -1.72 0.00 0.00 179.24 177.43 2kys h ILE 41 N 0.00 1.55 -0.12 0.35 1.08 -1.52 -2.12 117.51 116.72 2kys h ILE 41 Ca 0.00 -2.21 -0.11 0.00 -0.39 0.00 0.00 64.86 62.16 2kys h ILE 41 Cb 0.08 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 2kys h ILE 41 CO 0.00 0.61 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.61 2kys h LEU 42 N -0.44 0.28 -0.96 1.44 -0.00 -1.54 -2.92 115.31 111.17 2kys h LEU 42 Ca -0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2kys h LEU 42 Cb 1.26 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2kys h LEU 42 CO 0.09 0.65 -0.00 0.18 -0.00 0.00 0.00 178.44 179.36 2kys n LEU 43 N -4.04 1.49 -4.83 1.67 4.77 -0.74 -4.93 117.00 110.39 2kys n LEU 43 Ca -0.01 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 55.18 2kys n LEU 43 Cb 0.47 -0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 2kys n LEU 43 CO 0.42 0.25 0.75 0.00 -1.33 0.00 0.00 177.39 177.47 2kys s ALA 44 N -2.00 2.08 0.00 -1.18 0.00 -0.80 -5.02 121.76 114.84 2kys s ALA 44 Ca 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2kys s ALA 44 Cb 0.21 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2kys s ALA 44 CO 0.34 -2.10 0.34 1.63 0.00 0.00 0.00 175.76 175.97 2kys n LYS 45 N -3.63 0.00 -3.29 0.00 4.01 -1.26 -4.90 118.16 109.10 2kys n LYS 45 Ca 0.07 0.30 -0.19 0.00 -0.51 0.00 0.00 58.31 57.98 2kys n LYS 45 Cb 0.60 -1.01 -0.01 0.00 -0.51 0.00 0.00 35.03 34.10 2kys n LYS 45 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kys s ASP 46 N -2.10 5.33 0.12 4.39 1.01 -1.26 -5.00 116.67 119.15 2kys s ASP 46 Ca 0.00 -0.61 -0.20 0.00 0.71 0.00 0.00 52.55 52.46 2kys s ASP 46 Cb 0.00 -0.56 -0.07 0.00 1.01 0.00 0.00 42.92 43.30 2kys s ASP 46 CO 0.00 -0.74 1.77 0.74 0.21 0.00 0.00 175.17 177.15 2kys h THR 47 N 0.81 1.06 -0.79 -1.27 2.02 -1.94 -1.04 112.91 111.76 2kys h THR 47 Ca -0.40 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 66.69 2kys h THR 47 Cb 1.27 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 2kys h THR 47 CO 0.51 0.06 0.50 0.00 0.37 0.00 0.00 175.52 176.96 2kys h THR 48 N 0.27 1.12 0.00 3.16 1.03 -2.00 -2.46 112.91 114.02 2kys h THR 48 Ca 0.07 -0.34 -0.13 0.00 -0.01 0.00 0.00 66.41 66.01 2kys h THR 48 Cb -0.02 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.10 2kys h THR 48 CO -0.02 0.18 -0.60 -0.08 -0.01 0.00 0.00 175.52 174.99 2kys h GLU 49 N 0.98 0.00 0.61 0.00 4.57 -1.94 -2.07 114.58 116.74 2kys h GLU 49 Ca 0.32 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 2kys h GLU 49 Cb 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2kys h GLU 49 CO -0.11 0.60 -0.29 0.00 -1.18 0.00 0.00 179.01 178.02 2kys h ALA 50 N 1.40 -1.07 0.00 2.92 0.00 -0.74 -3.21 119.26 118.55 2kys h ALA 50 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kys h ALA 50 Cb 1.25 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2kys h ALA 50 CO 0.08 -1.01 -0.01 0.27 0.00 0.00 0.00 179.25 178.57 2kys h PHE 51 N -0.93 0.00 -0.39 0.00 -0.00 -1.49 -1.52 116.94 112.61 2kys h PHE 51 Ca -0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.97 58.00 2kys h PHE 51 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.57 2kys h PHE 51 CO 0.06 0.01 0.40 0.93 -0.00 0.00 0.00 178.31 179.71 2kys h GLU 52 N 0.00 0.00 -0.05 6.09 4.39 -1.38 -0.18 114.58 123.46 2kys h GLU 52 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2kys h GLU 52 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kys h GLU 52 CO 0.00 0.00 -0.27 0.87 -1.16 0.00 0.00 179.01 178.45 2kys h LYS 53 N 0.00 0.27 -0.39 2.33 1.57 -1.29 -3.30 116.57 115.75 2kys h LYS 53 Ca 0.19 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2kys h LYS 53 Cb 0.98 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2kys h LYS 53 CO -0.00 0.88 -0.20 0.00 -0.57 0.00 0.00 179.45 179.56 2kys h MET 54 N -0.27 0.77 0.00 3.15 -0.00 -1.16 -1.34 114.93 116.08 2kys h MET 54 Ca -0.02 -0.30 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2kys h MET 54 Cb 0.94 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 2kys h MET 54 CO 0.06 0.91 0.00 0.28 -0.00 0.00 0.00 176.91 178.16 2kys n VAL 55 N -4.12 0.72 -0.16 -0.10 0.31 -0.66 -1.27 118.33 113.06 2kys n VAL 55 Ca 0.00 0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.56 2kys n VAL 55 Cb 0.42 -1.05 0.13 0.00 -0.91 0.00 0.00 33.84 32.43 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 -1.24 2.77 0.00 4.52 7.64 -0.51 -4.56 113.62 122.24 2kys n SER 56 Ca 0.04 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2kys n SER 56 Cb 0.06 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.31 0.86 0.00 -3.43 -0.00 -0.39 -4.62 117.00 109.73 2kys n LEU 57 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.16 2kys n LEU 57 Cb 0.40 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.12 2kys n LEU 57 CO 0.07 0.14 0.51 0.00 -0.00 0.00 0.00 177.39 178.11 2kys n LEU 58 N -2.13 0.00 0.00 1.47 -0.00 -1.07 -0.55 117.00 114.72 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 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2kys n LEU 58 CO 0.00 0.00 -0.16 -0.24 -0.00 0.00 0.00 177.39 176.99 2kys n SER 59 N -0.87 1.60 0.18 1.45 2.88 -1.26 -4.60 113.62 113.00 2kys n SER 59 Ca 0.08 -0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 2kys n SER 59 Cb 0.03 0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.00 -0.22 2.46 2.07 -1.08 -3.21 116.25 116.26 2kys h VAL 60 Ca 0.00 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2kys h VAL 60 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2kys h VAL 60 CO 0.00 0.00 -0.51 -0.07 0.02 0.00 0.00 177.57 177.01 2kys h LEU 61 N -0.96 0.70 -1.02 2.57 3.38 -1.80 -2.50 115.31 115.68 2kys h LEU 61 Ca -0.05 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 2kys h LEU 61 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2kys h LEU 61 CO 0.08 1.08 0.16 -0.07 0.09 0.00 0.00 178.44 179.79 2kys h LEU 62 N 0.50 0.80 -0.85 1.67 3.38 -1.81 0.22 115.31 119.21 2kys h LEU 62 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2kys h LEU 62 Cb 1.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2kys h LEU 62 CO 0.10 0.77 0.00 -0.24 0.09 0.00 0.00 178.44 179.16 2kys n SER 63 N -4.28 0.81 0.00 -0.43 2.88 -0.95 -2.16 113.62 109.50 2kys n SER 63 Ca 0.04 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 2kys n SER 63 Cb 0.21 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.05 0.14 0.00 -1.46 0.00 0.00 -5.01 117.12 110.73 2kys n MET 64 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.57 2kys n MET 64 Cb 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 33.22 32.85 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 -0.06 0.98 -2.88 3.17 10.64 -0.82 -5.08 117.38 123.34 2kys n GLN 65 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 2kys n GLN 65 Cb 0.14 -0.19 0.05 0.00 -0.86 0.00 0.00 30.24 29.38 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 -0.07 0.01 3.94 2.61 0.00 -0.92 -4.96 105.19 105.80 2kys n GLY 66 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.20 2.86 0.06 4.61 0.00 -1.26 -5.06 121.76 119.76 2kys s ALA 67 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2kys s ALA 67 Cb -0.03 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2kys s ALA 67 CO 0.42 -1.81 0.00 1.33 0.00 0.00 0.00 175.76 175.70 2kys n VAL 68 N -3.27 0.65 0.84 0.00 0.24 -1.26 -4.83 118.33 110.69 2kys n VAL 68 Ca 0.12 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 2kys n VAL 68 Cb 0.60 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 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 -3.26 2.02 0.16 -1.34 8.00 -1.26 -4.32 116.55 116.55 2kys n ASP 69 Ca 0.00 -1.67 0.04 0.00 0.71 0.00 0.00 54.79 53.87 2kys n ASP 69 Cb 0.23 -0.42 0.46 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.12 1.14 0.00 0.53 6.09 -1.93 -0.63 117.51 122.82 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 0.71 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.18 2kys h ILE 70 CO 0.00 0.18 0.00 0.78 -3.07 0.00 0.00 178.15 176.04 2kys h ASN 71 N 0.15 0.00 -0.05 2.19 2.35 -1.97 -3.33 115.58 114.92 2kys h ASN 71 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2kys h ASN 71 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kys h ASN 71 CO 0.02 0.00 0.00 0.03 -1.65 0.00 0.00 177.43 175.83 2kys h ARG 72 N 0.00 0.08 -0.43 0.81 -0.00 -1.45 -1.57 114.38 111.83 2kys h ARG 72 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2kys h ARG 72 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.63 2kys h ARG 72 CO 0.00 0.35 0.25 1.37 0.00 0.00 0.00 179.97 181.94 2kys h LEU 73 N -0.19 0.50 -0.95 3.04 -0.00 -1.72 -1.58 115.31 114.42 2kys h LEU 73 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2kys h LEU 73 Cb 0.31 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2kys h LEU 73 CO 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 178.44 178.84 2kys n GLU 75 N -2.15 1.88 0.05 0.00 1.02 -0.61 -4.34 120.64 116.49 2kys n GLU 75 Ca 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.31 2kys n GLU 75 Cb 0.12 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.08 0.00 0.27 3.49 2.13 -0.60 -4.64 120.64 120.21 2kys n GLU 76 Ca 0.20 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.13 2kys n GLU 76 Cb 0.77 -0.04 0.72 0.00 0.27 0.00 0.00 31.44 33.16 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 0.00 -0.01 5.31 -0.00 -1.62 0.10 114.93 118.71 2kys h MET 77 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kys h MET 77 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kys h MET 77 CO 0.00 0.06 0.00 1.25 -0.00 0.00 0.00 176.91 178.22 2kys h LEU 78 N 0.00 0.01 -1.12 -0.10 5.85 -1.76 -3.05 115.31 115.14 2kys h LEU 78 Ca -0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2kys h LEU 78 Cb 0.12 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2kys h LEU 78 CO 0.01 0.17 0.40 -0.78 -0.34 0.00 0.00 178.44 177.90 2kys h ASP 79 N -0.15 0.90 0.48 1.25 3.58 -1.45 -1.78 116.42 119.25 2kys h ASP 79 Ca 0.00 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 2kys h ASP 79 Cb 0.16 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2kys h ASP 79 CO -0.00 0.73 -0.18 0.78 -2.88 0.00 0.00 179.24 177.68 2kys h ASN 80 N 1.02 0.00 0.31 2.28 2.35 -0.79 -1.22 115.58 119.52 2kys h ASN 80 Ca 0.26 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.68 2kys h ASN 80 Cb 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2kys h ASN 80 CO -0.04 0.18 -1.87 -2.11 -1.65 0.00 0.00 177.43 171.94 2kys n ARG 81 N -3.67 0.69 0.17 0.81 1.85 -1.01 -4.32 116.66 111.18 2kys n ARG 81 Ca -0.01 0.27 0.13 0.00 -1.00 0.00 0.00 57.85 57.24 2kys n ARG 81 Cb 0.30 -1.74 0.53 0.00 -1.05 0.00 0.00 32.46 30.50 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kys h ALA 82 N 0.57 1.00 0.00 2.89 0.00 -0.82 -1.07 119.26 121.83 2kys h ALA 82 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kys h ALA 82 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kys h ALA 82 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2kys h THR 83 N 0.00 0.00 -0.59 0.00 1.03 -1.43 -2.12 112.91 109.80 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 0.44 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2kys h THR 83 CO 0.00 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.69 2kys n LEU 84 N -2.84 4.74 -0.73 0.00 4.77 -0.40 -5.14 117.00 117.40 2kys n LEU 84 Ca -0.01 -2.54 0.13 0.00 -0.03 0.00 0.00 56.01 53.56 2kys n LEU 84 Cb 0.18 -0.57 0.31 0.00 -2.33 0.00 0.00 43.42 41.00 2kys n LEU 84 CO 0.21 0.77 0.75 0.00 -1.33 0.00 0.00 177.39 177.79