#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyx s LEU 13 N 0.00 3.63 -0.08 -2.67 1.43 -1.26 -5.11 118.68 114.62 1kyx s LEU 13 Ca 0.00 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1kyx s LEU 13 Cb 0.00 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1kyx s LEU 13 CO 0.00 0.34 -0.17 -0.54 0.23 0.00 0.00 176.35 176.21 1kyx s LYS 14 N -0.64 2.78 -0.40 1.70 -0.14 -1.26 -4.52 119.74 117.26 1kyx s LYS 14 Ca 0.11 -0.75 0.09 0.00 -1.36 0.00 0.00 55.97 54.06 1kyx s LYS 14 Cb -0.12 -2.40 0.27 0.00 -1.68 0.00 0.00 37.83 33.91 1kyx s LYS 14 CO 0.02 0.44 0.58 0.41 -0.76 0.00 0.00 175.35 176.04 1kyx n GLY 15 N 2.83 3.14 0.32 -3.33 0.00 0.36 -4.94 105.19 103.57 1kyx n GLY 15 Ca -0.17 -1.67 0.21 0.00 0.00 0.00 0.00 46.02 44.39 1kyx n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kyx h PRO 16 N 3.79 0.00 -0.24 1.61 0.13 -1.73 -2.60 132.00 132.96 1kyx h PRO 16 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1kyx h PRO 16 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1kyx h PRO 16 CO 0.49 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 1kyx n GLU 17 N -3.11 2.33 -2.58 0.86 1.02 -1.26 -4.46 120.64 113.44 1kyx n GLU 17 Ca -0.02 -2.09 -0.37 0.00 -0.02 0.00 0.00 57.16 54.66 1kyx n GLU 17 Cb 0.15 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1kyx n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kyx s LEU 18 N -1.61 4.22 -0.24 -4.62 1.43 -0.98 -5.04 118.68 111.85 1kyx s LEU 18 Ca 0.33 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.43 1kyx s LEU 18 Cb 0.21 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1kyx s LEU 18 CO 0.29 -0.37 -0.05 -0.13 0.23 0.00 0.00 176.35 176.32 1kyx s ARG 19 N -2.30 3.06 -0.07 1.70 0.52 -1.26 -4.75 118.95 115.85 1kyx s ARG 19 Ca 0.55 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 1kyx s ARG 19 Cb -0.22 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1kyx s ARG 19 CO 0.28 -0.32 -0.15 0.42 0.02 0.00 0.00 175.30 175.55 1kyx s ILE 20 N 1.39 2.92 -0.07 1.52 -1.09 -0.47 0.16 121.20 125.57 1kyx s ILE 20 Ca 0.03 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1kyx s ILE 20 Cb -0.16 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1kyx s ILE 20 CO -0.04 0.57 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.95 1kyx s LEU 21 N -0.33 3.15 -0.13 2.97 2.96 -0.63 -1.36 118.68 125.31 1kyx s LEU 21 Ca 0.03 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1kyx s LEU 21 Cb -0.13 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1kyx s LEU 21 CO 0.02 0.36 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.72 1kyx s ILE 22 N -0.80 1.08 -0.13 6.68 1.01 0.09 -0.87 121.20 128.26 1kyx s ILE 22 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1kyx s ILE 22 Cb -0.11 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1kyx s ILE 22 CO 0.01 0.28 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 1kyx s VAL 23 N 1.67 2.73 0.07 2.92 1.01 -0.74 -0.44 120.40 127.62 1kyx s VAL 23 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1kyx s VAL 23 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1kyx s VAL 23 CO -0.08 0.53 -0.11 -1.38 0.00 0.00 0.00 175.10 174.06 1kyx s HIS 24 N 0.50 0.98 0.81 5.22 -3.43 -0.77 -1.01 115.29 117.60 1kyx s HIS 24 Ca -0.11 -0.54 -0.09 0.00 -0.80 0.00 0.00 55.06 53.53 1kyx s HIS 24 Cb -0.16 -0.56 0.13 0.00 -1.43 0.00 0.00 32.58 30.57 1kyx s HIS 24 CO 0.05 -0.01 1.13 0.00 -2.00 0.00 0.00 174.74 173.91 1kyx s ALA 25 N -1.69 2.94 -0.55 -1.38 0.00 -0.29 -1.51 121.76 119.28 1kyx s ALA 25 Ca -0.02 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1kyx s ALA 25 Cb -0.08 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.59 1kyx s ALA 25 CO 0.01 -1.80 0.76 0.54 0.00 0.00 0.00 175.76 175.27 1kyx n ARG 26 N -3.24 0.45 -2.67 0.00 1.74 -0.49 -4.81 116.66 107.64 1kyx n ARG 26 Ca 0.13 -1.01 -0.41 0.00 -0.77 0.00 0.00 57.85 55.79 1kyx n ARG 26 Cb 0.60 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.90 1kyx n ARG 26 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1kyx s TRP 27 N -0.54 3.78 -1.11 -1.55 0.52 -1.20 -3.76 118.94 115.08 1kyx s TRP 27 Ca 0.07 1.77 -0.00 0.00 0.02 0.00 0.00 56.10 57.95 1kyx s TRP 27 Cb 0.04 -3.10 -0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1kyx s TRP 27 CO 0.06 0.02 0.93 0.09 0.02 0.00 0.00 176.95 178.07 1kyx n ASN 28 N 2.37 -2.31 -0.03 2.95 5.03 -1.26 -4.51 115.26 117.49 1kyx n ASN 28 Ca 0.01 -0.58 0.21 0.00 0.87 0.00 0.00 54.58 55.09 1kyx n ASN 28 Cb 0.48 -4.82 0.68 0.00 -1.02 0.00 0.00 39.78 35.10 1kyx n ASN 28 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1kyx h LEU 29 N -1.72 0.03 -1.83 3.41 3.38 -1.92 -1.45 115.31 115.21 1kyx h LEU 29 Ca -0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1kyx h LEU 29 Cb 1.32 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1kyx h LEU 29 CO 0.46 0.01 -0.11 1.56 0.09 0.00 0.00 178.44 180.45 1kyx h GLN 30 N 0.03 0.00 0.17 1.13 4.20 -1.94 -1.70 115.11 117.00 1kyx h GLN 30 Ca 0.28 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.64 1kyx h GLN 30 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1kyx h GLN 30 CO -0.01 0.11 -1.80 0.00 -0.67 0.00 0.00 178.83 176.47 1kyx h ALA 31 N 1.89 0.22 0.45 3.87 0.00 -1.64 -3.40 119.26 120.65 1kyx h ALA 31 Ca -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 1kyx h ALA 31 Cb 0.21 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1kyx h ALA 31 CO 0.01 1.09 -0.40 0.82 0.00 0.00 0.00 179.25 180.77 1kyx h ILE 32 N 0.10 0.18 -0.49 0.00 1.08 -1.10 -3.15 117.51 114.13 1kyx h ILE 32 Ca -0.36 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 1kyx h ILE 32 Cb 2.09 0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.93 1kyx h ILE 32 CO 0.16 0.00 -0.52 -0.33 -0.69 0.00 0.00 178.15 176.77 1kyx h GLU 33 N -0.86 -0.32 -0.96 2.37 5.08 -1.53 0.53 114.58 118.89 1kyx h GLU 33 Ca -0.04 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1kyx h GLU 33 Cb 0.75 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.99 1kyx h GLU 33 CO -0.04 -0.21 0.61 -1.35 -1.00 0.00 0.00 179.01 177.02 1kyx h PRO 34 N -0.33 0.71 -0.29 2.33 0.11 -1.76 0.36 132.00 133.13 1kyx h PRO 34 Ca 0.11 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1kyx h PRO 34 Cb 0.58 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1kyx h PRO 34 CO -0.64 0.47 0.03 -0.07 -0.21 0.00 0.00 178.00 177.58 1kyx h LEU 35 N 0.73 0.48 -0.34 2.35 3.38 -0.92 -0.30 115.31 120.68 1kyx h LEU 35 Ca 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1kyx h LEU 35 Cb 0.83 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1kyx h LEU 35 CO -0.28 0.64 0.09 0.58 0.09 0.00 0.00 178.44 179.55 1kyx h VAL 36 N 0.30 1.22 -0.07 1.22 2.07 -0.39 -1.95 116.25 118.65 1kyx h VAL 36 Ca 0.09 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1kyx h VAL 36 Cb 0.37 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1kyx h VAL 36 CO 0.01 0.25 -0.04 0.50 0.02 0.00 0.00 177.57 178.31 1kyx h LYS 37 N 0.39 -0.04 -0.78 1.57 3.64 -0.87 -0.56 116.57 119.92 1kyx h LYS 37 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1kyx h LYS 37 Cb 0.29 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1kyx h LYS 37 CO 0.00 -0.03 0.44 0.78 -2.27 0.00 0.00 179.45 178.37 1kyx h GLY 38 N -0.04 1.15 0.85 5.01 0.00 -0.99 0.04 103.07 109.09 1kyx h GLY 38 Ca 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1kyx h GLY 38 CO -0.09 0.48 0.02 0.00 0.00 0.00 0.00 176.54 176.95 1kyx h ALA 39 N 1.40 0.33 0.47 3.60 0.00 -0.95 -1.53 119.26 122.57 1kyx h ALA 39 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1kyx h ALA 39 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kyx h ALA 39 CO -0.05 0.04 -0.22 0.28 0.00 0.00 0.00 179.25 179.30 1kyx h VAL 40 N 0.22 0.53 -0.78 0.00 2.07 -0.68 -2.11 116.25 115.49 1kyx h VAL 40 Ca 0.07 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1kyx h VAL 40 Cb 0.37 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1kyx h VAL 40 CO 0.01 0.03 0.43 -0.33 0.02 0.00 0.00 177.57 177.73 1kyx h GLU 41 N -0.73 0.71 -0.47 1.57 5.08 -1.04 -1.67 114.58 118.03 1kyx h GLU 41 Ca -0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1kyx h GLU 41 Cb 0.53 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1kyx h GLU 41 CO 0.11 0.47 0.22 1.15 -1.00 0.00 0.00 179.01 179.95 1kyx h THR 42 N 0.73 1.19 -0.42 1.13 2.02 -1.16 0.14 112.91 116.53 1kyx h THR 42 Ca 0.38 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1kyx h THR 42 Cb 0.36 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1kyx h THR 42 CO -0.25 0.21 0.26 0.24 0.37 0.00 0.00 175.52 176.35 1kyx h MET 43 N 0.62 0.57 0.61 6.66 2.86 -0.73 -0.52 114.93 124.99 1kyx h MET 43 Ca 0.16 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1kyx h MET 43 Cb 0.13 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.67 1kyx h MET 43 CO -0.02 0.41 -0.29 0.82 1.06 0.00 0.00 176.91 178.89 1kyx h ILE 44 N 0.56 0.04 -0.01 -1.22 2.04 -1.14 -1.53 117.51 116.25 1kyx h ILE 44 Ca 0.15 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1kyx h ILE 44 Cb -0.01 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1kyx h ILE 44 CO -0.03 0.01 -0.44 -0.33 0.00 0.00 0.00 178.15 177.36 1kyx h GLU 45 N -1.20 0.03 0.00 2.37 5.08 -0.78 -2.53 114.58 117.55 1kyx h GLU 45 Ca -0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1kyx h GLU 45 Cb 0.64 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1kyx h GLU 45 CO 0.14 0.47 -0.68 1.63 -1.00 0.00 0.00 179.01 179.57 1kyx n LYS 46 N -4.01 3.01 0.00 2.33 5.02 -0.21 -4.67 118.16 119.63 1kyx n LYS 46 Ca -0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1kyx n LYS 46 Cb 0.47 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1kyx n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kyx n HIS 47 N -1.36 0.00 -2.90 2.13 8.25 -0.63 -4.82 115.22 115.89 1kyx n HIS 47 Ca 0.01 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 1kyx n HIS 47 Cb 0.18 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.31 1kyx n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kyx n ASP 48 N -0.08 -5.89 -4.78 0.41 10.43 -0.95 -0.49 116.55 115.21 1kyx n ASP 48 Ca 0.00 -0.24 -0.38 0.00 2.57 0.00 0.00 54.79 56.74 1kyx n ASP 48 Cb 0.12 -4.73 -0.06 0.00 1.84 0.00 0.00 41.12 38.28 1kyx n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1kyx s VAL 49 N -3.13 4.26 -0.08 2.53 1.01 -0.89 -3.36 120.40 120.74 1kyx s VAL 49 Ca 0.25 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 1kyx s VAL 49 Cb -0.11 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1kyx s VAL 49 CO 0.31 0.26 0.60 -0.54 0.00 0.00 0.00 175.10 175.73 1kyx s LYS 50 N -1.79 4.39 0.34 2.72 1.02 -1.26 -4.26 119.74 120.90 1kyx s LYS 50 Ca 0.46 0.70 0.14 0.00 0.02 0.00 0.00 55.97 57.29 1kyx s LYS 50 Cb -0.20 -3.43 1.11 0.00 -0.52 0.00 0.00 37.83 34.78 1kyx s LYS 50 CO 0.25 0.13 1.61 1.25 -0.92 0.00 0.00 175.35 177.68 1kyx h LEU 51 N 6.62 0.24 -0.03 3.17 6.46 -1.96 0.75 115.31 130.56 1kyx h LEU 51 Ca -0.41 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1kyx h LEU 51 Cb 1.19 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1kyx h LEU 51 CO 0.75 -0.29 0.00 -1.84 -0.62 0.00 0.00 178.44 176.43 1kyx n GLU 52 N -5.22 0.05 -0.27 1.25 0.00 -1.26 -2.92 120.64 112.27 1kyx n GLU 52 Ca 0.32 0.10 0.07 0.00 0.00 0.00 0.00 57.16 57.65 1kyx n GLU 52 Cb 1.04 -1.57 0.21 0.00 0.00 0.00 0.00 31.44 31.12 1kyx n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1kyx n ASN 53 N -1.66 2.64 -4.09 -1.84 3.02 0.26 -4.79 115.26 108.79 1kyx n ASN 53 Ca 0.06 -2.06 -0.32 0.00 -0.03 0.00 0.00 54.58 52.22 1kyx n ASN 53 Cb 0.32 -0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 1kyx n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kyx s ILE 54 N -1.46 2.16 -0.06 2.41 1.01 -1.15 -1.36 121.20 122.74 1kyx s ILE 54 Ca 0.31 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1kyx s ILE 54 Cb 0.17 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 1kyx s ILE 54 CO 0.20 0.15 0.31 -1.81 0.00 0.00 0.00 174.94 173.79 1kyx s ASP 55 N 1.16 6.62 -0.19 3.58 -0.00 -0.46 -5.01 116.67 122.37 1kyx s ASP 55 Ca -0.05 0.74 0.00 0.00 -0.00 0.00 0.00 52.55 53.25 1kyx s ASP 55 Cb -0.18 -2.19 0.04 0.00 -0.00 0.00 0.00 42.92 40.60 1kyx s ASP 55 CO -0.07 0.31 -0.09 -0.63 -0.00 0.00 0.00 175.17 174.69 1kyx s ILE 56 N -0.77 1.50 0.37 0.77 1.01 -1.26 -0.73 121.20 122.09 1kyx s ILE 56 Ca 0.20 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1kyx s ILE 56 Cb -0.15 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.64 1kyx s ILE 56 CO 0.09 0.13 -0.04 -1.61 0.00 0.00 0.00 174.94 173.52 1kyx s GLU 57 N 1.46 1.91 0.05 2.79 2.02 0.42 -5.00 118.70 122.35 1kyx s GLU 57 Ca -0.01 -1.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.00 1kyx s GLU 57 Cb -0.16 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1kyx s GLU 57 CO -0.08 0.06 -0.03 -1.54 0.02 0.00 0.00 175.26 173.69 1kyx s SER 58 N -3.67 0.48 0.10 -0.19 1.04 -1.26 -1.85 113.70 108.35 1kyx s SER 58 Ca 0.34 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1kyx s SER 58 Cb 0.05 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1kyx s SER 58 CO 0.18 -0.53 -0.05 0.68 0.98 0.00 0.00 173.24 174.49 1kyx s VAL 59 N -3.39 0.64 0.04 5.02 -7.23 -0.57 -4.91 120.40 110.00 1kyx s VAL 59 Ca 0.03 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 1kyx s VAL 59 Cb 0.04 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1kyx s VAL 59 CO -0.08 -0.84 1.23 -0.65 -0.31 0.00 0.00 175.10 174.45 1kyx h PRO 60 N 2.95 -0.34 -5.05 4.82 0.11 -1.94 -2.65 132.00 129.90 1kyx h PRO 60 Ca -0.35 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.21 1kyx h PRO 60 Cb 1.17 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1kyx h PRO 60 CO 0.64 -0.23 -0.51 0.20 -0.21 0.00 0.00 178.00 177.89 1kyx s GLY 61 N -1.48 2.64 0.51 -0.55 0.00 -1.26 -1.40 107.32 105.79 1kyx s GLY 61 Ca -0.07 -1.19 0.20 0.00 0.00 0.00 0.00 44.72 43.66 1kyx s GLY 61 CO 0.25 -1.85 2.07 1.76 0.00 0.00 0.00 173.10 175.33 1kyx h SER 62 N 1.76 0.04 -0.97 1.64 0.02 -1.92 -1.71 113.55 112.41 1kyx h SER 62 Ca -0.36 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1kyx h SER 62 Cb 1.28 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 1kyx h SER 62 CO 0.57 0.03 0.64 -0.25 -1.14 0.00 0.00 176.83 176.68 1kyx h TRP 63 N 0.05 1.21 0.00 3.45 2.91 -1.96 -2.02 115.95 119.59 1kyx h TRP 63 Ca 0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1kyx h TRP 63 Cb 0.47 -0.41 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1kyx h TRP 63 CO -0.00 0.74 0.00 0.39 -1.03 0.00 0.00 178.44 178.54 1kyx n GLU 64 N -4.40 0.10 0.12 2.65 4.71 -0.65 -4.18 120.64 118.99 1kyx n GLU 64 Ca 0.12 0.19 -0.16 0.00 -0.01 0.00 0.00 57.16 57.30 1kyx n GLU 64 Cb 0.04 -1.65 -0.09 0.00 -1.01 0.00 0.00 31.44 28.73 1kyx n GLU 64 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1kyx h LEU 65 N 0.00 -1.47 -1.16 -4.62 5.85 -1.34 0.28 115.31 112.84 1kyx h LEU 65 Ca 0.00 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1kyx h LEU 65 Cb 0.48 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1kyx h LEU 65 CO 0.00 -0.54 0.59 -0.65 -0.34 0.00 0.00 178.44 177.49 1kyx h PRO 66 N -0.73 0.95 -0.27 5.25 0.11 -1.76 -1.02 132.00 134.52 1kyx h PRO 66 Ca 0.00 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.88 1kyx h PRO 66 Cb 0.74 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1kyx h PRO 66 CO -0.27 0.63 -0.52 1.96 -0.21 0.00 0.00 178.00 179.59 1kyx h GLN 67 N 0.98 0.78 -0.53 1.05 4.20 -1.68 -1.64 115.11 118.27 1kyx h GLN 67 Ca 0.40 -0.47 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1kyx h GLN 67 Cb 0.29 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1kyx h GLN 67 CO -0.16 1.10 -0.01 0.78 -0.67 0.00 0.00 178.83 179.86 1kyx h GLY 68 N 0.83 1.01 0.97 3.46 0.00 0.01 -2.21 103.07 107.14 1kyx h GLY 68 Ca 0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 1kyx h GLY 68 CO 0.11 0.70 0.05 -2.22 0.00 0.00 0.00 176.54 175.18 1kyx h ILE 69 N 0.81 1.25 -0.47 2.60 2.04 -1.13 -1.94 117.51 120.66 1kyx h ILE 69 Ca 0.15 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1kyx h ILE 69 Cb 0.55 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1kyx h ILE 69 CO 0.03 0.33 0.28 -0.09 0.00 0.00 0.00 178.15 178.70 1kyx h ARG 70 N 0.62 0.65 -0.61 2.37 2.43 -1.21 -1.15 114.38 117.48 1kyx h ARG 70 Ca 0.13 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1kyx h ARG 70 Cb 0.42 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1kyx h ARG 70 CO 0.01 0.49 0.37 0.00 -1.51 0.00 0.00 179.97 179.32 1kyx h ALA 71 N 1.13 0.78 -0.35 2.80 0.00 -1.32 -2.77 119.26 119.52 1kyx h ALA 71 Ca 0.17 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1kyx h ALA 71 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1kyx h ALA 71 CO -0.03 0.26 -0.26 0.77 0.00 0.00 0.00 179.25 179.98 1kyx h SER 72 N 0.82 0.85 0.18 0.00 0.02 -0.99 -2.91 113.55 111.52 1kyx h SER 72 Ca 0.22 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1kyx h SER 72 Cb -0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1kyx h SER 72 CO -0.04 1.11 0.00 2.30 -1.14 0.00 0.00 176.83 179.06 1kyx n ILE 73 N -4.22 0.06 0.04 3.27 -5.35 -0.47 -2.05 119.36 110.65 1kyx n ILE 73 Ca -0.03 0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.50 1kyx n ILE 73 Cb 0.47 -0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 37.70 1kyx n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kyx n ALA 74 N -1.11 2.12 -0.07 -1.28 0.00 -1.05 -4.46 120.51 114.65 1kyx n ALA 74 Ca 0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1kyx n ALA 74 Cb 0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1kyx n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kyx h ARG 75 N 0.00 0.00 -6.02 0.00 3.08 -1.31 -3.49 114.38 106.63 1kyx h ARG 75 Ca -0.13 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.37 1kyx h ARG 75 Cb 1.43 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.44 1kyx h ARG 75 CO 0.03 0.25 -0.33 -0.80 -1.07 0.00 0.00 179.97 178.06 1kyx s ASN 76 N -5.97 4.73 -0.23 7.04 0.01 -0.87 -5.12 114.94 114.54 1kyx s ASN 76 Ca -0.16 -1.09 -0.06 0.00 -0.71 0.00 0.00 52.86 50.85 1kyx s ASN 76 Cb 0.02 0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.75 1kyx s ASN 76 CO 0.29 -0.95 0.01 -0.89 -1.51 0.00 0.00 177.10 174.05 1kyx s THR 77 N -2.68 3.90 0.15 1.60 2.01 -1.26 -4.53 115.64 114.83 1kyx s THR 77 Ca 0.40 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.17 1kyx s THR 77 Cb -0.02 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1kyx s THR 77 CO 0.24 0.39 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.04 1kyx s TYR 78 N 1.42 1.96 -0.10 4.92 2.02 -1.26 -4.87 117.35 121.44 1kyx s TYR 78 Ca 0.05 -0.42 0.16 0.00 -0.37 0.00 0.00 57.07 56.48 1kyx s TYR 78 Cb -0.15 -1.01 -0.15 0.00 -0.40 0.00 0.00 41.96 40.25 1kyx s TYR 78 CO 0.01 0.34 0.82 -0.44 -1.57 0.00 0.00 175.55 174.70 1kyx h ASP 79 N 3.52 0.00 -5.00 2.29 5.19 -0.67 -3.48 116.42 118.26 1kyx h ASP 79 Ca -0.45 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.91 1kyx h ASP 79 Cb 1.20 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.55 1kyx h ASP 79 CO 0.46 0.68 0.15 0.00 -3.12 0.00 0.00 179.24 177.41 1kyx s ALA 80 N -2.85 -1.60 0.05 3.45 0.00 -1.22 -4.26 121.76 115.33 1kyx s ALA 80 Ca -0.03 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1kyx s ALA 80 Cb 0.08 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1kyx s ALA 80 CO 0.81 -0.53 -0.16 0.08 0.00 0.00 0.00 175.76 175.96 1kyx s VAL 81 N -2.33 1.26 -0.17 0.00 1.01 -0.20 -1.60 120.40 118.38 1kyx s VAL 81 Ca -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1kyx s VAL 81 Cb -0.01 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1kyx s VAL 81 CO -0.00 0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 174.35 1kyx s ILE 82 N -0.89 1.67 -0.29 2.22 1.01 -0.05 0.31 121.20 125.17 1kyx s ILE 82 Ca 0.03 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1kyx s ILE 82 Cb -0.08 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1kyx s ILE 82 CO 0.02 0.39 0.31 -0.83 0.00 0.00 0.00 174.94 174.83 1kyx s GLY 83 N 1.43 1.90 -0.10 6.18 0.00 -0.77 -1.80 107.32 114.17 1kyx s GLY 83 Ca 0.03 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.79 1kyx s GLY 83 CO -0.10 0.87 -0.23 -0.42 0.00 0.00 0.00 173.10 173.22 1kyx s ILE 84 N 1.95 2.14 0.14 0.90 1.01 -0.18 -0.17 121.20 127.00 1kyx s ILE 84 Ca 0.11 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 1kyx s ILE 84 Cb -0.16 -1.82 0.07 0.00 0.01 0.00 0.00 42.46 40.56 1kyx s ILE 84 CO 0.11 0.56 0.68 -0.83 0.00 0.00 0.00 174.94 175.46 1kyx s GLY 85 N 0.32 -0.51 -0.13 6.18 0.00 -0.75 -1.14 107.32 111.30 1kyx s GLY 85 Ca -0.18 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 1kyx s GLY 85 CO 0.09 0.15 -0.05 0.14 0.00 0.00 0.00 173.10 173.43 1kyx s VAL 86 N -3.64 0.89 -0.17 1.40 1.01 -1.26 -1.00 120.40 117.63 1kyx s VAL 86 Ca 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1kyx s VAL 86 Cb -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1kyx s VAL 86 CO -0.09 0.24 -0.07 -0.76 0.00 0.00 0.00 175.10 174.42 1kyx s LEU 87 N 1.75 2.95 -0.11 3.92 1.43 0.21 -4.80 118.68 124.03 1kyx s LEU 87 Ca 0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1kyx s LEU 87 Cb -0.14 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1kyx s LEU 87 CO -0.07 0.10 -0.17 -0.63 0.23 0.00 0.00 176.35 175.81 1kyx s ILE 88 N 0.74 2.72 0.21 -0.59 1.01 -1.26 -0.93 121.20 123.10 1kyx s ILE 88 Ca -0.03 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.51 1kyx s ILE 88 Cb -0.15 -2.10 -0.12 0.00 0.01 0.00 0.00 42.46 40.09 1kyx s ILE 88 CO 0.02 0.54 1.67 1.17 0.00 0.00 0.00 174.94 178.34 1kyx n LYS 89 N 3.41 2.61 0.00 2.79 3.00 -0.22 -4.86 118.16 124.88 1kyx n LYS 89 Ca -0.18 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1kyx n LYS 89 Cb 0.53 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.80 1kyx n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kyx n GLY 90 N 3.62 4.92 0.17 3.14 0.00 -1.26 -4.83 105.19 110.94 1kyx n GLY 90 Ca 0.15 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.34 1kyx n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kyx h SER 91 N 0.00 0.00 -3.69 1.61 0.02 -2.02 -3.47 113.55 106.01 1kyx h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kyx h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kyx h SER 91 CO 0.00 0.34 0.00 0.35 -1.14 0.00 0.00 176.83 176.38 1kyx n THR 92 N -3.19 0.00 1.16 -2.27 -2.24 -1.26 -5.02 114.28 101.47 1kyx n THR 92 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1kyx n THR 92 Cb 0.67 -0.86 0.37 0.00 -2.10 0.00 0.00 70.33 68.41 1kyx n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kyx n MET 93 N -0.78 1.90 -0.18 -0.78 0.00 -1.26 -4.35 117.12 111.66 1kyx n MET 93 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 57.70 56.36 1kyx n MET 93 Cb 0.00 -1.45 0.08 0.00 0.00 0.00 0.00 33.22 31.85 1kyx n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1kyx h HIS 94 N 2.91 -0.02 -0.37 2.03 -0.00 -1.96 -2.07 115.15 115.68 1kyx h HIS 94 Ca 0.00 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 1kyx h HIS 94 Cb 0.63 0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 28.05 1kyx h HIS 94 CO 0.07 -0.13 -0.23 0.35 -0.00 0.00 0.00 177.93 178.00 1kyx h PHE 95 N 0.13 -0.59 -0.59 5.26 3.57 -1.89 -0.76 116.94 122.06 1kyx h PHE 95 Ca 0.28 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1kyx h PHE 95 Cb 0.44 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1kyx h PHE 95 CO -0.33 -0.30 0.37 0.93 -2.23 0.00 0.00 178.31 176.75 1kyx h GLU 96 N -0.17 0.72 0.00 1.11 3.07 -1.70 -1.76 114.58 115.86 1kyx h GLU 96 Ca 0.18 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.74 1kyx h GLU 96 Cb 0.45 -0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1kyx h GLU 96 CO -0.47 0.48 -1.03 1.88 -1.40 0.00 0.00 179.01 178.47 1kyx h TYR 97 N 0.74 0.94 -0.49 4.33 0.05 -1.11 -2.78 116.97 118.65 1kyx h TYR 97 Ca 0.23 -0.51 -0.08 0.00 0.05 0.00 0.00 58.73 58.41 1kyx h TYR 97 Cb -0.02 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1kyx h TYR 97 CO -0.05 1.35 -0.02 0.82 -1.05 0.00 0.00 178.16 179.21 1kyx h ILE 98 N 0.35 1.26 0.09 -2.88 2.04 -1.15 -1.79 117.51 115.44 1kyx h ILE 98 Ca -0.12 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1kyx h ILE 98 Cb 1.68 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1kyx h ILE 98 CO 0.20 0.39 -0.13 0.28 0.00 0.00 0.00 178.15 178.89 1kyx h SER 99 N 0.75 -0.35 -0.64 1.72 0.02 -1.36 0.15 113.55 113.82 1kyx h SER 99 Ca 0.14 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1kyx h SER 99 Cb 0.55 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1kyx h SER 99 CO 0.03 -0.19 0.42 -0.08 -1.14 0.00 0.00 176.83 175.86 1kyx h GLU 100 N -0.27 0.85 -0.39 3.45 4.81 -1.47 -1.60 114.58 119.96 1kyx h GLU 100 Ca 0.02 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1kyx h GLU 100 Cb 0.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1kyx h GLU 100 CO -0.06 0.57 -0.29 0.00 -0.73 0.00 0.00 179.01 178.49 1kyx h ALA 101 N 1.23 0.73 -0.34 2.92 0.00 -0.95 -2.47 119.26 120.38 1kyx h ALA 101 Ca 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1kyx h ALA 101 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1kyx h ALA 101 CO -0.05 0.66 -0.16 0.28 0.00 0.00 0.00 179.25 179.98 1kyx h VAL 102 N 0.73 1.29 -0.28 0.00 2.07 -0.53 0.31 116.25 119.83 1kyx h VAL 102 Ca 0.08 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1kyx h VAL 102 Cb 0.85 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1kyx h VAL 102 CO 0.07 0.42 0.14 0.58 0.02 0.00 0.00 177.57 178.80 1kyx h VAL 103 N 0.49 1.14 -0.57 2.57 2.07 -1.30 0.94 116.25 121.60 1kyx h VAL 103 Ca 0.08 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1kyx h VAL 103 Cb 0.70 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1kyx h VAL 103 CO 0.05 0.15 0.06 0.45 0.02 0.00 0.00 177.57 178.30 1kyx h HIS 104 N 0.32 0.98 -0.85 1.57 -0.00 -1.41 -2.49 115.15 113.28 1kyx h HIS 104 Ca 0.10 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1kyx h HIS 104 Cb 0.11 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.20 1kyx h HIS 104 CO -0.02 0.86 0.49 0.78 -0.00 0.00 0.00 177.93 180.03 1kyx h GLY 105 N 1.01 1.25 1.16 2.45 0.00 -0.27 -0.76 103.07 107.91 1kyx h GLY 105 Ca 0.17 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1kyx h GLY 105 CO 0.01 0.53 -0.17 1.41 0.00 0.00 0.00 176.54 178.32 1kyx h LEU 106 N 1.18 0.98 -0.86 3.11 3.38 -0.65 -2.18 115.31 120.27 1kyx h LEU 106 Ca 0.30 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1kyx h LEU 106 Cb -0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1kyx h LEU 106 CO -0.05 1.13 0.02 -0.03 0.09 0.00 0.00 178.44 179.60 1kyx h MET 107 N 0.85 0.87 -0.13 1.13 4.05 -1.18 -2.50 114.93 118.03 1kyx h MET 107 Ca 0.12 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1kyx h MET 107 Cb 0.73 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1kyx h MET 107 CO 0.06 0.85 0.00 -0.09 0.23 0.00 0.00 176.91 177.96 1kyx h ARG 108 N 0.81 0.22 -0.91 0.39 2.43 -0.85 -1.46 114.38 115.01 1kyx h ARG 108 Ca 0.16 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1kyx h ARG 108 Cb 0.45 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1kyx h ARG 108 CO 0.02 0.46 0.57 0.28 -1.51 0.00 0.00 179.97 179.79 1kyx h VAL 109 N -0.04 1.04 -0.20 0.20 2.07 -1.34 0.28 116.25 118.26 1kyx h VAL 109 Ca 0.04 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1kyx h VAL 109 Cb 0.35 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1kyx h VAL 109 CO 0.01 0.19 -0.01 1.23 0.02 0.00 0.00 177.57 179.01 1kyx h GLY 110 N 1.02 0.39 1.86 2.17 0.00 -1.28 -2.04 103.07 105.19 1kyx h GLY 110 Ca 0.40 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 1kyx h GLY 110 CO -0.19 0.27 -0.47 1.41 0.00 0.00 0.00 176.54 177.56 1kyx h LEU 111 N 0.11 0.16 -0.20 3.11 3.38 -0.76 -0.61 115.31 120.50 1kyx h LEU 111 Ca 0.06 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1kyx h LEU 111 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1kyx h LEU 111 CO 0.01 0.61 -0.36 0.44 0.09 0.00 0.00 178.44 179.23 1kyx h ASP 112 N 0.12 0.67 0.99 -0.43 3.32 -0.41 -3.34 116.42 117.34 1kyx h ASP 112 Ca 0.01 -0.54 -0.15 0.00 0.02 0.00 0.00 57.03 56.37 1kyx h ASP 112 Cb 0.87 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1kyx h ASP 112 CO 0.07 1.08 -1.08 0.77 -1.72 0.00 0.00 179.24 178.35 1kyx h SER 113 N 0.28 0.00 0.00 6.45 4.64 -1.34 -3.48 113.55 120.10 1kyx h SER 113 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1kyx h SER 113 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1kyx h SER 113 CO 0.08 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1kyx n GLY 114 N 1.34 1.05 3.70 -0.77 0.00 -0.24 -5.02 105.19 105.25 1kyx n GLY 114 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1kyx n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kyx s VAL 115 N -3.25 5.19 0.21 1.61 1.01 -1.21 -5.03 120.40 118.92 1kyx s VAL 115 Ca 0.00 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1kyx s VAL 115 Cb 0.00 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 1kyx s VAL 115 CO 0.00 0.29 1.59 -2.84 0.00 0.00 0.00 175.10 174.14 1kyx s PRO 116 N 0.92 4.19 -0.24 2.72 0.02 -1.26 -4.45 135.00 136.90 1kyx s PRO 116 Ca 0.24 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.68 1kyx s PRO 116 Cb -0.15 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.28 1kyx s PRO 116 CO 0.09 -0.62 -0.06 0.08 -0.33 0.00 0.00 177.00 176.16 1kyx s VAL 117 N 0.79 2.93 -0.06 3.83 1.01 -1.26 -1.03 120.40 126.62 1kyx s VAL 117 Ca 0.68 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 1kyx s VAL 117 Cb -0.45 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1kyx s VAL 117 CO 0.36 0.26 0.67 -0.63 0.00 0.00 0.00 175.10 175.76 1kyx s ILE 118 N 1.35 5.03 -0.64 2.22 -1.09 0.15 -4.98 121.20 123.24 1kyx s ILE 118 Ca 0.02 1.38 -0.26 0.00 -2.23 0.00 0.00 60.65 59.55 1kyx s ILE 118 Cb -0.16 -4.01 0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1kyx s ILE 118 CO -0.05 0.29 1.14 -0.22 -1.23 0.00 0.00 174.94 174.87 1kyx s LEU 119 N 0.62 3.61 -0.43 2.97 2.96 -1.26 -1.84 118.68 125.31 1kyx s LEU 119 Ca 0.36 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1kyx s LEU 119 Cb -0.18 -2.77 0.45 0.00 0.50 0.00 0.00 46.19 44.19 1kyx s LEU 119 CO 0.17 -1.56 1.44 0.61 -1.32 0.00 0.00 176.35 175.69 1kyx n GLY 120 N 5.23 6.18 3.65 7.98 0.00 0.76 -4.98 105.19 124.01 1kyx n GLY 120 Ca 0.03 -2.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.11 1kyx n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kyx s LEU 121 N -3.68 4.00 -0.17 0.99 2.96 -1.23 -1.81 118.68 119.73 1kyx s LEU 121 Ca 0.54 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 1kyx s LEU 121 Cb 0.44 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1kyx s LEU 121 CO -0.02 0.10 0.02 -0.76 -1.32 0.00 0.00 176.35 174.37 1kyx s LEU 122 N 0.84 3.59 -0.49 -0.68 1.43 -0.17 -4.95 118.68 118.24 1kyx s LEU 122 Ca 0.06 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1kyx s LEU 122 Cb -0.13 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1kyx s LEU 122 CO 0.02 0.17 0.24 0.42 0.23 0.00 0.00 176.35 177.44 1kyx s THR 123 N 0.35 2.75 0.28 5.49 -4.23 -1.26 -0.62 115.64 118.40 1kyx s THR 123 Ca 0.00 -2.96 0.10 0.00 -1.18 0.00 0.00 61.69 57.64 1kyx s THR 123 Cb -0.13 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 1kyx s THR 123 CO 0.01 -0.76 -0.02 0.68 -0.54 0.00 0.00 174.62 173.99 1kyx s VAL 124 N 0.11 3.14 0.08 2.29 -7.23 -0.10 -5.02 120.40 113.67 1kyx s VAL 124 Ca 0.15 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.42 1kyx s VAL 124 Cb -0.23 -2.76 -0.16 0.00 0.56 0.00 0.00 36.38 33.79 1kyx s VAL 124 CO -0.03 -0.34 1.33 -0.07 -0.31 0.00 0.00 175.10 175.68 1kyx h LEU 125 N 1.91 0.00 -8.05 1.32 3.38 -1.93 -0.57 115.31 111.37 1kyx h LEU 125 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1kyx h LEU 125 Cb 1.25 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1kyx h LEU 125 CO 0.61 0.90 -0.09 0.54 0.09 0.00 0.00 178.44 180.49 1kyx s ASN 126 N -6.67 -0.12 0.24 -0.43 2.20 -1.26 -4.11 114.94 104.78 1kyx s ASN 126 Ca 0.01 -0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 51.10 1kyx s ASN 126 Cb 0.10 0.57 0.38 0.00 -2.00 0.00 0.00 41.25 40.30 1kyx s ASN 126 CO 0.80 -1.09 1.78 -0.08 -2.94 0.00 0.00 177.10 175.58 1kyx h GLU 127 N 2.27 0.62 -0.68 3.55 4.57 -1.97 -2.76 114.58 120.18 1kyx h GLU 127 Ca -0.27 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 57.94 1kyx h GLU 127 Cb 1.25 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.64 1kyx h GLU 127 CO 0.37 0.41 0.37 0.93 -1.18 0.00 0.00 179.01 179.91 1kyx h GLU 128 N 0.64 0.64 -0.37 1.92 3.07 -2.00 -1.64 114.58 116.85 1kyx h GLU 128 Ca 0.38 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1kyx h GLU 128 Cb 0.42 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 1kyx h GLU 128 CO -0.28 0.42 0.19 1.96 -1.40 0.00 0.00 179.01 179.90 1kyx h GLN 129 N 0.66 0.50 -0.02 2.33 4.20 -1.91 -1.35 115.11 119.50 1kyx h GLN 129 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1kyx h GLN 129 Cb 0.24 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1kyx h GLN 129 CO -0.21 0.37 -0.03 0.00 -0.67 0.00 0.00 178.83 178.30 1kyx h ALA 130 N 1.71 0.03 -0.95 3.87 0.00 -1.34 -2.76 119.26 119.82 1kyx h ALA 130 Ca 0.13 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1kyx h ALA 130 Cb 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1kyx h ALA 130 CO -0.02 -0.18 0.63 -0.07 0.00 0.00 0.00 179.25 179.61 1kyx h LEU 131 N -0.45 1.05 -0.77 0.00 3.38 -1.16 -1.88 115.31 115.49 1kyx h LEU 131 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1kyx h LEU 131 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1kyx h LEU 131 CO 0.01 0.73 0.45 0.22 0.09 0.00 0.00 178.44 179.93 1kyx h TYR 132 N 1.22 1.02 -0.00 1.13 3.20 -1.26 -0.79 116.97 121.49 1kyx h TYR 132 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1kyx h TYR 132 Cb -0.02 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1kyx h TYR 132 CO -0.00 0.70 -0.00 0.54 -1.64 0.00 0.00 178.16 177.76 1kyx n ARG 133 N -4.48 0.95 -0.32 1.82 1.74 -0.82 -2.42 116.66 113.12 1kyx n ARG 133 Ca 0.07 -0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.23 1kyx n ARG 133 Cb 0.07 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.25 1kyx n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kyx n ALA 134 N -1.02 2.45 -0.33 7.54 0.00 -0.40 -1.38 120.51 127.36 1kyx n ALA 134 Ca 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1kyx n ALA 134 Cb 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1kyx n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kyx n GLY 135 N 0.83 0.76 3.94 0.00 0.00 -1.02 -4.56 105.19 105.14 1kyx n GLY 135 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1kyx n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kyx s LEU 136 N 0.00 3.42 -1.61 0.99 1.02 -0.61 -4.16 118.68 117.73 1kyx s LEU 136 Ca 0.00 0.47 -0.14 0.00 0.02 0.00 0.00 54.13 54.48 1kyx s LEU 136 Cb 0.00 -3.32 0.11 0.00 0.02 0.00 0.00 46.19 43.00 1kyx s LEU 136 CO 0.00 -0.92 0.77 0.59 0.02 0.00 0.00 176.35 176.82 1kyx n ASN 137 N -2.35 -3.13 0.00 2.29 3.02 -1.26 -1.46 115.26 112.37 1kyx n ASN 137 Ca 0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1kyx n ASN 137 Cb 0.58 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1kyx n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyx n GLY 138 N -1.57 0.67 3.99 7.41 0.00 -1.26 -4.99 105.19 109.43 1kyx n GLY 138 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1kyx n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kyx s GLY 139 N -1.96 1.76 -0.19 -0.02 0.00 -0.53 -5.08 107.32 101.30 1kyx s GLY 139 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 44.72 42.94 1kyx s GLY 139 CO 0.00 -1.14 0.09 -1.58 0.00 0.00 0.00 173.10 170.46 1kyx s HIS 140 N -3.13 3.31 -0.31 1.90 5.65 -1.20 -4.33 115.29 117.18 1kyx s HIS 140 Ca 0.66 0.17 -0.29 0.00 0.25 0.00 0.00 55.06 55.85 1kyx s HIS 140 Cb -0.06 -2.10 -0.01 0.00 -1.18 0.00 0.00 32.58 29.23 1kyx s HIS 140 CO 0.44 0.21 1.52 1.21 -0.65 0.00 0.00 174.74 177.47 1kyx s ASN 141 N 0.34 6.35 0.53 9.88 3.84 -1.26 -3.64 114.94 130.99 1kyx s ASN 141 Ca 0.05 1.27 0.31 0.00 0.21 0.00 0.00 52.86 54.70 1kyx s ASN 141 Cb -0.12 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.34 1kyx s ASN 141 CO -0.01 -1.34 1.96 0.45 -2.79 0.00 0.00 177.10 175.38 1kyx h HIS 142 N 10.75 0.00 -0.30 0.43 3.86 -1.54 -2.98 115.15 125.37 1kyx h HIS 142 Ca -0.30 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1kyx h HIS 142 Cb 1.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1kyx h HIS 142 CO 0.93 0.06 0.21 0.78 0.86 0.00 0.00 177.93 180.76 1kyx h GLY 143 N 1.94 0.15 0.88 2.45 0.00 -1.80 -1.61 103.07 105.08 1kyx h GLY 143 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1kyx h GLY 143 CO 0.01 0.04 0.07 3.43 0.00 0.00 0.00 176.54 180.08 1kyx h ASN 144 N 0.12 0.40 -0.81 0.19 -0.26 -1.66 -0.84 115.58 112.71 1kyx h ASN 144 Ca 0.14 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1kyx h ASN 144 Cb 0.39 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 1kyx h ASN 144 CO -0.02 0.52 0.42 0.44 -1.06 0.00 0.00 177.43 177.73 1kyx h ASP 145 N 0.26 1.05 -0.15 5.81 3.32 -1.49 -1.97 116.42 123.25 1kyx h ASP 145 Ca 0.08 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1kyx h ASP 145 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1kyx h ASP 145 CO -0.00 0.87 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.76 1kyx h TRP 146 N 1.16 0.55 -0.15 4.55 6.55 -1.11 -1.05 115.95 126.45 1kyx h TRP 146 Ca 0.29 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 1kyx h TRP 146 Cb 0.08 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 1kyx h TRP 146 CO 0.01 0.62 0.07 0.78 -1.05 0.00 0.00 178.44 178.87 1kyx h GLY 147 N 0.93 0.23 1.20 1.49 0.00 -0.44 -1.40 103.07 105.08 1kyx h GLY 147 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1kyx h GLY 147 CO 0.03 0.11 0.03 1.76 0.00 0.00 0.00 176.54 178.47 1kyx h SER 148 N 0.10 0.93 -0.58 0.19 0.02 -1.19 -2.64 113.55 110.39 1kyx h SER 148 Ca 0.05 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1kyx h SER 148 Cb 0.14 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1kyx h SER 148 CO -0.01 0.97 0.15 0.00 -1.14 0.00 0.00 176.83 176.81 1kyx h ALA 149 N 1.13 1.11 -0.27 3.77 0.00 -1.05 -1.19 119.26 122.76 1kyx h ALA 149 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kyx h ALA 149 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kyx h ALA 149 CO 0.02 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.04 1kyx h ALA 150 N 1.25 0.34 0.23 0.00 0.00 -0.98 -0.95 119.26 119.14 1kyx h ALA 150 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1kyx h ALA 150 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1kyx h ALA 150 CO -0.00 -0.18 -0.12 0.28 0.00 0.00 0.00 179.25 179.23 1kyx h VAL 151 N 0.35 0.75 -0.28 0.00 2.07 -1.21 0.10 116.25 118.02 1kyx h VAL 151 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1kyx h VAL 151 Cb -0.02 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1kyx h VAL 151 CO -0.02 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.46 1kyx h GLU 152 N -0.33 0.05 -0.09 1.57 4.81 -1.04 -1.13 114.58 118.42 1kyx h GLU 152 Ca -0.03 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1kyx h GLU 152 Cb 0.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1kyx h GLU 152 CO 0.04 0.03 -0.40 0.52 -0.73 0.00 0.00 179.01 178.47 1kyx h MET 153 N 0.05 0.19 -0.40 1.92 2.86 -1.07 -1.45 114.93 117.03 1kyx h MET 153 Ca 0.14 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1kyx h MET 153 Cb 0.19 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1kyx h MET 153 CO -0.25 0.57 0.18 0.78 1.06 0.00 0.00 176.91 179.25 1kyx h GLY 154 N 1.22 0.63 1.25 8.32 0.00 -0.10 -2.53 103.07 111.85 1kyx h GLY 154 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1kyx h GLY 154 CO 0.06 0.31 -0.33 1.41 0.00 0.00 0.00 176.54 177.99 1kyx h LEU 155 N 0.51 0.88 -0.06 3.11 3.38 -0.98 -3.01 115.31 119.14 1kyx h LEU 155 Ca 0.14 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1kyx h LEU 155 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1kyx h LEU 155 CO -0.02 1.13 0.00 0.29 0.09 0.00 0.00 178.44 179.93 1kyx n LYS 156 N -4.07 0.03 -0.21 1.13 5.02 -0.57 -0.49 118.16 119.01 1kyx n LYS 156 Ca -0.01 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 1kyx n LYS 156 Cb 0.50 -1.54 0.25 0.00 -0.02 0.00 0.00 35.03 34.22 1kyx n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kyx n ALA 157 N -1.53 2.44 -0.75 7.82 0.00 -0.96 -5.08 120.51 122.44 1kyx n ALA 157 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1kyx n ALA 157 Cb 0.24 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1kyx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78