#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyx s PRO 8 N 0.00 -0.05 -0.48 1.61 0.04 -1.26 -5.08 135.00 129.78 1kyx s PRO 8 Ca 0.00 -0.33 0.06 0.00 0.04 0.00 0.00 61.00 60.77 1kyx s PRO 8 Cb 0.00 -1.76 0.26 0.00 0.04 0.00 0.00 34.50 33.04 1kyx s PRO 8 CO 0.00 -2.89 0.94 -1.71 0.04 0.00 0.00 177.00 173.38 1kyx n ASN 9 N -4.12 -2.76 -4.55 6.66 5.15 -1.26 -5.16 115.26 109.22 1kyx n ASN 9 Ca 0.15 -3.39 -0.29 0.00 -0.60 0.00 0.00 54.58 50.45 1kyx n ASN 9 Cb 0.59 1.84 0.22 0.00 -0.53 0.00 0.00 39.78 41.91 1kyx n ASN 9 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kyx s PRO 10 N 0.59 -0.31 0.39 1.20 0.04 -1.26 -5.07 135.00 130.58 1kyx s PRO 10 Ca 0.30 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1kyx s PRO 10 Cb 0.24 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 33.15 1kyx s PRO 10 CO -0.20 -3.35 0.41 -1.54 0.04 0.00 0.00 177.00 172.36 1kyx s SER 11 N -2.66 5.37 0.08 6.66 1.04 -1.26 -5.06 113.70 117.87 1kyx s SER 11 Ca 0.68 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1kyx s SER 11 Cb -0.24 -0.77 -0.26 0.00 0.10 0.00 0.00 66.02 64.85 1kyx s SER 11 CO 0.62 -0.58 1.15 -0.78 0.98 0.00 0.00 173.24 174.63 1kyx h ASP 12 N 0.97 0.56 0.00 7.02 1.82 -1.97 -3.49 116.42 121.33 1kyx h ASP 12 Ca -0.42 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 55.65 1kyx h ASP 12 Cb 1.27 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1kyx h ASP 12 CO 0.54 1.42 0.00 0.18 -1.61 0.00 0.00 179.24 179.77 1kyx n LEU 13 N -3.63 0.00 -4.33 2.28 4.77 -1.26 -4.81 117.00 110.02 1kyx n LEU 13 Ca -0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 1kyx n LEU 13 Cb 1.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.94 1kyx n LEU 13 CO 0.55 0.00 -0.50 -0.54 -1.33 0.00 0.00 177.39 175.57 1kyx s LYS 14 N 0.00 2.97 -0.46 3.23 -0.14 -1.26 -4.53 119.74 119.55 1kyx s LYS 14 Ca 0.00 -0.78 0.08 0.00 -1.36 0.00 0.00 55.97 53.91 1kyx s LYS 14 Cb 0.00 -2.40 0.27 0.00 -1.68 0.00 0.00 37.83 34.02 1kyx s LYS 14 CO 0.00 0.31 0.64 0.41 -0.76 0.00 0.00 175.35 175.95 1kyx n GLY 15 N 3.18 3.65 0.28 -3.33 0.00 0.31 -4.94 105.19 104.35 1kyx n GLY 15 Ca -0.18 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.01 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 3.83 0.00 -0.02 1.61 0.13 -1.72 -2.67 132.00 133.16 1kyx h PRO 16 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1kyx h PRO 16 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1kyx h PRO 16 CO 0.59 0.07 -0.14 0.39 -0.23 0.00 0.00 178.00 178.67 1kyx n GLU 17 N -3.64 1.72 -2.25 0.86 1.02 -1.26 -4.38 120.64 112.71 1kyx n GLU 17 Ca -0.02 -1.30 -0.38 0.00 -0.02 0.00 0.00 57.16 55.44 1kyx n GLU 17 Cb 0.17 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.17 4.16 -0.21 -4.62 1.43 -1.00 -5.04 118.68 111.23 1kyx s LEU 18 Ca 0.28 2.38 -0.03 0.00 -1.03 0.00 0.00 54.13 55.74 1kyx s LEU 18 Cb 0.20 -4.05 -0.00 0.00 0.03 0.00 0.00 46.19 42.37 1kyx s LEU 18 CO 0.40 -0.75 -0.09 -0.13 0.23 0.00 0.00 176.35 176.01 1kyx s ARG 19 N -2.36 3.27 -0.06 1.70 0.52 -1.26 -4.74 118.95 116.02 1kyx s ARG 19 Ca 0.58 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 55.17 1kyx s ARG 19 Cb -0.31 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 1kyx s ARG 19 CO 0.39 -0.20 -0.23 0.42 0.02 0.00 0.00 175.30 175.71 1kyx s ILE 20 N 1.41 2.28 -0.07 1.52 -1.09 -0.29 -0.18 121.20 124.79 1kyx s ILE 20 Ca 0.05 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.49 1kyx s ILE 20 Cb -0.14 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 1kyx s ILE 20 CO -0.06 0.57 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.93 1kyx s LEU 21 N -0.27 3.10 -0.16 2.97 2.96 -0.69 -1.22 118.68 125.37 1kyx s LEU 21 Ca -0.00 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1kyx s LEU 21 Cb -0.13 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1kyx s LEU 21 CO 0.03 0.34 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.70 1kyx s ILE 22 N -0.70 1.22 -0.14 6.68 1.01 0.05 -1.12 121.20 128.20 1kyx s ILE 22 Ca 0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 1kyx s ILE 22 Cb -0.11 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1kyx s ILE 22 CO 0.02 0.21 -0.13 -0.69 0.00 0.00 0.00 174.94 174.34 1kyx s VAL 23 N 1.60 2.96 0.08 2.92 1.01 -0.68 -0.54 120.40 127.76 1kyx s VAL 23 Ca 0.02 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1kyx s VAL 23 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1kyx s VAL 23 CO -0.08 0.52 -0.11 -1.38 0.00 0.00 0.00 175.10 174.05 1kyx s HIS 24 N 0.52 1.06 0.81 5.22 -3.43 -0.63 -0.59 115.29 118.24 1kyx s HIS 24 Ca -0.09 -0.58 -0.07 0.00 -0.80 0.00 0.00 55.06 53.52 1kyx s HIS 24 Cb -0.16 -0.59 0.15 0.00 -1.43 0.00 0.00 32.58 30.55 1kyx s HIS 24 CO 0.04 0.01 1.12 0.00 -2.00 0.00 0.00 174.74 173.91 1kyx s ALA 25 N -2.01 3.09 -0.16 -1.38 0.00 -0.41 -1.34 121.76 119.55 1kyx s ALA 25 Ca 0.02 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1kyx s ALA 25 Cb -0.06 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1kyx s ALA 25 CO 0.01 -1.82 0.85 0.54 0.00 0.00 0.00 175.76 175.34 1kyx n ARG 26 N -3.20 1.55 -2.80 0.00 1.74 -0.14 -4.79 116.66 109.02 1kyx n ARG 26 Ca 0.14 -1.21 -0.40 0.00 -0.77 0.00 0.00 57.85 55.62 1kyx n ARG 26 Cb 0.60 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.67 3.96 -1.20 -1.55 0.52 -1.21 -3.78 118.94 115.01 1kyx s TRP 27 Ca 0.03 1.85 -0.03 0.00 0.02 0.00 0.00 56.10 57.96 1kyx s TRP 27 Cb 0.02 -2.94 0.00 0.00 -1.15 0.00 0.00 33.47 29.40 1kyx s TRP 27 CO 0.02 0.46 1.02 0.09 0.02 0.00 0.00 176.95 178.56 1kyx n ASN 28 N 1.60 -3.49 -0.26 2.95 5.03 -1.26 -4.56 115.26 115.26 1kyx n ASN 28 Ca -0.03 -0.56 0.17 0.00 0.87 0.00 0.00 54.58 55.03 1kyx n ASN 28 Cb 0.48 -4.88 0.47 0.00 -1.02 0.00 0.00 39.78 34.82 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 -2.08 0.49 -2.74 3.41 3.38 -1.93 -0.26 115.31 115.57 1kyx h LEU 29 Ca -0.56 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1kyx h LEU 29 Cb 1.33 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1kyx h LEU 29 CO 0.50 0.20 0.01 0.06 0.09 0.00 0.00 178.44 179.30 1kyx h GLN 30 N 0.49 0.00 0.03 1.13 3.07 -1.93 -1.30 115.11 116.59 1kyx h GLN 30 Ca 0.48 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.86 1kyx h GLN 30 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.57 1kyx h GLN 30 CO -0.20 0.00 -2.13 0.00 0.09 0.00 0.00 178.83 176.59 1kyx n ALA 31 N -2.18 1.35 0.21 0.06 0.00 -0.15 -4.45 120.51 115.36 1kyx n ALA 31 Ca -0.03 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 1kyx n ALA 31 Cb 0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 1kyx n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kyx h ILE 32 N 0.02 0.66 -0.26 0.00 1.08 -0.84 -3.20 117.51 114.96 1kyx h ILE 32 Ca -0.45 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 1kyx h ILE 32 Cb 2.06 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 36.40 1kyx h ILE 32 CO 0.03 0.00 -0.31 -0.33 -0.69 0.00 0.00 178.15 176.86 1kyx h GLU 33 N -0.47 -0.30 -1.00 2.37 5.08 -1.58 -1.09 114.58 117.59 1kyx h GLU 33 Ca -0.05 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1kyx h GLU 33 Cb 0.36 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 1kyx h GLU 33 CO 0.08 -0.20 0.63 -1.35 -1.00 0.00 0.00 179.01 177.17 1kyx h PRO 34 N -0.31 0.95 0.03 2.33 0.11 -1.78 -1.01 132.00 132.33 1kyx h PRO 34 Ca 0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1kyx h PRO 34 Cb 0.52 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1kyx h PRO 34 CO -0.43 0.63 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.91 1kyx h LEU 35 N 0.98 -0.03 -0.22 2.35 3.38 -1.28 -0.09 115.31 120.40 1kyx h LEU 35 Ca 0.50 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1kyx h LEU 35 Cb 0.51 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1kyx h LEU 35 CO -0.27 0.13 0.12 0.58 0.09 0.00 0.00 178.44 179.09 1kyx h VAL 36 N -0.19 1.01 -0.39 1.22 2.07 -0.87 -1.07 116.25 118.02 1kyx h VAL 36 Ca -0.00 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1kyx h VAL 36 Cb 0.18 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1kyx h VAL 36 CO 0.01 0.05 0.17 0.50 0.02 0.00 0.00 177.57 178.31 1kyx h LYS 37 N 0.25 0.34 -0.75 1.57 3.64 -1.14 0.03 116.57 120.51 1kyx h LYS 37 Ca 0.09 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1kyx h LYS 37 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1kyx h LYS 37 CO -0.05 0.22 0.38 0.78 -2.27 0.00 0.00 179.45 178.51 1kyx h GLY 38 N 0.35 1.14 0.92 5.01 0.00 -0.70 0.31 103.07 110.10 1kyx h GLY 38 Ca 0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1kyx h GLY 38 CO -0.15 0.53 0.12 0.00 0.00 0.00 0.00 176.54 177.03 1kyx h ALA 39 N 1.19 0.40 0.33 3.60 0.00 -0.73 -1.46 119.26 122.59 1kyx h ALA 39 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1kyx h ALA 39 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1kyx h ALA 39 CO -0.04 0.00 -0.16 0.28 0.00 0.00 0.00 179.25 179.34 1kyx h VAL 40 N 0.35 0.69 -0.70 0.00 2.07 -0.66 -2.23 116.25 115.76 1kyx h VAL 40 Ca 0.10 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1kyx h VAL 40 Cb 0.19 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1kyx h VAL 40 CO -0.01 0.06 0.37 -0.33 0.02 0.00 0.00 177.57 177.69 1kyx h GLU 41 N -0.61 0.63 -0.33 1.57 5.08 -0.96 -1.72 114.58 118.24 1kyx h GLU 41 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1kyx h GLU 41 Cb 0.44 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1kyx h GLU 41 CO 0.07 0.42 0.18 1.15 -1.00 0.00 0.00 179.01 179.83 1kyx h THR 42 N 0.65 1.14 -0.60 1.13 2.02 -1.21 0.11 112.91 116.15 1kyx h THR 42 Ca 0.33 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1kyx h THR 42 Cb 0.30 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1kyx h THR 42 CO -0.23 0.14 0.39 0.24 0.37 0.00 0.00 175.52 176.43 1kyx h MET 43 N 0.41 0.76 0.24 6.66 2.86 -0.95 0.63 114.93 125.54 1kyx h MET 43 Ca 0.12 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1kyx h MET 43 Cb 0.06 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1kyx h MET 43 CO -0.02 0.50 -0.11 0.82 1.06 0.00 0.00 176.91 179.16 1kyx h ILE 44 N 0.79 0.00 -0.04 -1.22 2.04 -1.12 -1.69 117.51 116.27 1kyx h ILE 44 Ca 0.23 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1kyx h ILE 44 Cb -0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1kyx h ILE 44 CO -0.06 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.65 1kyx h GLU 45 N -0.53 0.05 0.00 2.37 5.08 -0.84 -1.91 114.58 118.81 1kyx h GLU 45 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1kyx h GLU 45 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1kyx h GLU 45 CO 0.05 0.16 -1.25 1.63 -1.00 0.00 0.00 179.01 178.61 1kyx n LYS 46 N -4.38 1.19 0.00 2.33 5.02 0.21 -4.68 118.16 117.85 1kyx n LYS 46 Ca -0.02 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1kyx n LYS 46 Cb 0.20 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.72 0.00 -2.45 2.13 8.25 -0.70 -4.85 115.22 115.88 1kyx n HIS 47 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1kyx n HIS 47 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.14 -4.68 -4.80 0.41 10.43 -0.72 -0.53 116.55 116.52 1kyx n ASP 48 Ca 0.00 -0.07 -0.35 0.00 2.57 0.00 0.00 54.79 56.94 1kyx n ASP 48 Cb 0.02 -3.73 -0.06 0.00 1.84 0.00 0.00 41.12 39.19 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 -2.83 4.13 -0.13 2.53 1.01 -0.80 -3.50 120.40 120.80 1kyx s VAL 49 Ca 0.07 1.53 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 1kyx s VAL 49 Cb -0.03 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1kyx s VAL 49 CO 0.08 -0.08 0.43 -0.54 0.00 0.00 0.00 175.10 174.99 1kyx s LYS 50 N -2.65 4.31 0.38 2.72 1.02 -1.26 -4.28 119.74 119.99 1kyx s LYS 50 Ca 0.58 0.35 0.23 0.00 0.02 0.00 0.00 55.97 57.14 1kyx s LYS 50 Cb -0.16 -3.44 1.32 0.00 -0.52 0.00 0.00 37.83 35.03 1kyx s LYS 50 CO 0.20 0.16 1.61 1.25 -0.92 0.00 0.00 175.35 177.65 1kyx h LEU 51 N 6.79 0.34 -0.97 3.17 6.46 -1.96 0.68 115.31 129.82 1kyx h LEU 51 Ca -0.41 0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.51 1kyx h LEU 51 Cb 1.17 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1kyx h LEU 51 CO 0.75 -0.30 -0.28 -0.33 -0.62 0.00 0.00 178.44 177.66 1kyx h GLU 52 N 0.09 0.00 -0.33 1.25 3.07 -2.00 -3.00 114.58 113.65 1kyx h GLU 52 Ca 0.82 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.68 1kyx h GLU 52 Cb 2.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.16 1kyx h GLU 52 CO -0.63 0.28 0.00 0.09 -1.40 0.00 0.00 179.01 177.34 1kyx n ASN 53 N -3.41 1.21 -4.08 1.42 3.02 0.24 -4.73 115.26 108.92 1kyx n ASN 53 Ca 0.00 -2.05 -0.33 0.00 -0.03 0.00 0.00 54.58 52.18 1kyx n ASN 53 Cb 0.47 -0.21 -0.15 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.69 2.40 0.03 2.41 1.01 -1.14 -1.14 121.20 123.09 1kyx s ILE 54 Ca 0.12 -1.75 -0.16 0.00 0.00 0.00 0.00 60.65 58.87 1kyx s ILE 54 Cb 0.07 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 1kyx s ILE 54 CO 0.07 -0.18 0.46 -1.81 0.00 0.00 0.00 174.94 173.48 1kyx s ASP 55 N 1.12 6.88 -0.12 3.58 -0.00 -0.36 -5.00 116.67 122.77 1kyx s ASP 55 Ca -0.04 1.05 -0.00 0.00 -0.00 0.00 0.00 52.55 53.56 1kyx s ASP 55 Cb -0.20 -2.28 0.02 0.00 -0.00 0.00 0.00 42.92 40.46 1kyx s ASP 55 CO -0.05 0.29 -0.09 -0.63 -0.00 0.00 0.00 175.17 174.69 1kyx s ILE 56 N -1.12 1.15 0.23 0.77 1.01 -1.26 -0.77 121.20 121.20 1kyx s ILE 56 Ca 0.26 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1kyx s ILE 56 Cb -0.17 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1kyx s ILE 56 CO 0.15 0.39 -0.10 -1.61 0.00 0.00 0.00 174.94 173.78 1kyx s GLU 57 N 1.60 1.37 0.12 2.79 2.02 0.30 -4.98 118.70 121.92 1kyx s GLU 57 Ca 0.04 -1.65 0.03 0.00 0.02 0.00 0.00 54.97 53.41 1kyx s GLU 57 Cb -0.13 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 1kyx s GLU 57 CO -0.08 0.09 -0.08 -1.54 0.02 0.00 0.00 175.26 173.68 1kyx s SER 58 N -3.34 1.42 0.08 -0.19 1.04 -1.26 -1.61 113.70 109.84 1kyx s SER 58 Ca 0.25 -1.02 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 1kyx s SER 58 Cb 0.02 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1kyx s SER 58 CO 0.08 -0.41 -0.01 0.68 0.98 0.00 0.00 173.24 174.56 1kyx s VAL 59 N -3.50 0.26 0.01 5.02 -7.23 -0.45 -4.90 120.40 109.62 1kyx s VAL 59 Ca 0.14 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1kyx s VAL 59 Cb 0.04 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1kyx s VAL 59 CO -0.02 -0.83 1.04 -0.65 -0.31 0.00 0.00 175.10 174.33 1kyx h PRO 60 N 3.04 -0.06 -5.09 4.82 0.11 -1.94 -2.51 132.00 130.37 1kyx h PRO 60 Ca -0.35 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.18 1kyx h PRO 60 Cb 1.16 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 1kyx h PRO 60 CO 0.64 -0.04 -0.52 0.20 -0.21 0.00 0.00 178.00 178.08 1kyx s GLY 61 N -1.08 2.70 0.53 -0.55 0.00 -1.26 -0.96 107.32 106.70 1kyx s GLY 61 Ca -0.01 -1.06 0.22 0.00 0.00 0.00 0.00 44.72 43.87 1kyx s GLY 61 CO 0.04 -1.92 2.06 1.76 0.00 0.00 0.00 173.10 175.03 1kyx h SER 62 N 1.68 0.00 -0.59 1.64 0.02 -1.92 -1.64 113.55 112.74 1kyx h SER 62 Ca -0.38 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1kyx h SER 62 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1kyx h SER 62 CO 0.61 0.00 0.39 -0.25 -1.14 0.00 0.00 176.83 176.45 1kyx h TRP 63 N 0.00 0.71 0.00 3.45 2.91 -1.96 -2.20 115.95 118.87 1kyx h TRP 63 Ca 0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1kyx h TRP 63 Cb 0.61 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1kyx h TRP 63 CO 0.00 0.44 0.00 0.39 -1.03 0.00 0.00 178.44 178.24 1kyx n GLU 64 N -4.45 0.19 -0.08 2.65 4.71 -0.62 -4.22 120.64 118.82 1kyx n GLU 64 Ca 0.06 0.17 -0.07 0.00 -0.01 0.00 0.00 57.16 57.31 1kyx n GLU 64 Cb 0.08 -1.73 -0.01 0.00 -1.01 0.00 0.00 31.44 28.78 1kyx n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1kyx h LEU 65 N 0.00 -0.78 -1.14 -4.62 4.07 -1.41 0.24 115.31 111.67 1kyx h LEU 65 Ca 0.00 0.15 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 1kyx h LEU 65 Cb 0.66 0.38 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1kyx h LEU 65 CO 0.00 -0.27 -0.10 -0.65 -1.08 0.00 0.00 178.44 176.34 1kyx h PRO 66 N -0.21 0.48 -0.16 1.13 0.11 -1.77 -1.62 132.00 129.96 1kyx h PRO 66 Ca 0.16 -0.13 -0.17 0.00 0.11 0.00 0.00 66.00 65.97 1kyx h PRO 66 Cb 0.46 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1kyx h PRO 66 CO -0.44 0.59 -0.56 1.96 -0.21 0.00 0.00 178.00 179.34 1kyx h GLN 67 N 0.45 0.67 -0.45 1.05 4.20 -1.66 -1.90 115.11 117.47 1kyx h GLN 67 Ca 0.09 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1kyx h GLN 67 Cb 0.45 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1kyx h GLN 67 CO 0.02 1.12 0.18 0.78 -0.67 0.00 0.00 178.83 180.26 1kyx h GLY 68 N 0.34 0.73 1.02 3.46 0.00 -0.43 -1.50 103.07 106.70 1kyx h GLY 68 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1kyx h GLY 68 CO 0.12 0.37 0.35 -2.22 0.00 0.00 0.00 176.54 175.17 1kyx h ILE 69 N 0.59 1.24 -0.30 2.60 2.04 -1.30 -1.37 117.51 121.01 1kyx h ILE 69 Ca 0.15 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1kyx h ILE 69 Cb 0.19 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1kyx h ILE 69 CO -0.01 0.29 0.10 -0.09 0.00 0.00 0.00 178.15 178.43 1kyx h ARG 70 N 1.05 0.47 -0.39 2.37 2.43 -1.12 -1.00 114.38 118.18 1kyx h ARG 70 Ca 0.26 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1kyx h ARG 70 Cb 0.13 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1kyx h ARG 70 CO -0.03 0.51 0.26 0.00 -1.51 0.00 0.00 179.97 179.20 1kyx h ALA 71 N 0.93 0.50 -0.54 2.80 0.00 -1.11 -2.69 119.26 119.15 1kyx h ALA 71 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1kyx h ALA 71 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kyx h ALA 71 CO -0.00 -0.03 0.01 0.77 0.00 0.00 0.00 179.25 179.99 1kyx h SER 72 N 0.53 0.88 0.39 0.00 0.02 -1.04 -2.28 113.55 112.05 1kyx h SER 72 Ca 0.14 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1kyx h SER 72 Cb -0.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1kyx h SER 72 CO -0.03 0.94 0.00 2.30 -1.14 0.00 0.00 176.83 178.90 1kyx n ILE 73 N -4.20 0.03 0.04 3.27 -5.35 -0.40 -2.29 119.36 110.46 1kyx n ILE 73 Ca 0.03 0.01 -0.03 0.00 -0.27 0.00 0.00 62.75 62.48 1kyx n ILE 73 Cb 0.32 -0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 37.61 1kyx n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kyx h ALA 74 N 3.54 0.64 0.00 -1.28 0.00 -1.07 -3.40 119.26 117.68 1kyx h ALA 74 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1kyx h ALA 74 Cb 0.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kyx h ALA 74 CO 0.00 1.11 -0.18 0.00 0.00 0.00 0.00 179.25 180.18 1kyx h ARG 75 N 0.00 0.00 0.00 0.00 3.08 -1.28 -3.49 114.38 112.69 1kyx h ARG 75 Ca -0.14 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.44 1kyx h ARG 75 Cb 1.70 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.77 1kyx h ARG 75 CO 0.07 0.00 -0.09 0.09 -1.07 0.00 0.00 179.97 178.97 1kyx n ASN 76 N -3.95 2.08 -4.23 7.04 3.02 -0.97 -5.11 115.26 113.14 1kyx n ASN 76 Ca -0.03 -2.50 -0.34 0.00 -0.03 0.00 0.00 54.58 51.69 1kyx n ASN 76 Cb 0.09 -0.36 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 1kyx n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kyx s THR 77 N -2.42 2.65 0.17 3.41 2.01 -1.26 -4.61 115.64 115.59 1kyx s THR 77 Ca 0.54 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1kyx s THR 77 Cb -0.04 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1kyx s THR 77 CO 0.34 0.50 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.29 1kyx s TYR 78 N 1.17 1.79 -0.16 4.92 2.02 -1.26 -4.89 117.35 120.94 1kyx s TYR 78 Ca 0.01 -0.49 0.22 0.00 -0.37 0.00 0.00 57.07 56.44 1kyx s TYR 78 Cb -0.14 -0.88 -0.13 0.00 -0.40 0.00 0.00 41.96 40.41 1kyx s TYR 78 CO -0.06 0.33 0.81 -0.25 -1.57 0.00 0.00 175.55 174.82 1kyx n ASP 79 N 0.17 0.54 -3.52 2.29 9.92 0.75 -4.97 116.55 121.74 1kyx n ASP 79 Ca -0.12 0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 1kyx n ASP 79 Cb 0.58 0.96 -0.05 0.00 -0.64 0.00 0.00 41.12 41.97 1kyx n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kyx s ALA 80 N -3.36 -1.79 0.04 2.24 0.00 -1.22 -4.24 121.76 113.43 1kyx s ALA 80 Ca -0.03 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1kyx s ALA 80 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1kyx s ALA 80 CO 0.83 -0.45 -0.12 0.08 0.00 0.00 0.00 175.76 176.10 1kyx s VAL 81 N -1.78 0.97 -0.14 0.00 1.01 -0.13 -1.71 120.40 118.63 1kyx s VAL 81 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1kyx s VAL 81 Cb -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1kyx s VAL 81 CO 0.02 -0.05 -0.16 -0.63 0.00 0.00 0.00 175.10 174.29 1kyx s ILE 82 N -0.88 1.64 -0.27 2.22 1.01 -0.27 0.23 121.20 124.89 1kyx s ILE 82 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1kyx s ILE 82 Cb -0.08 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1kyx s ILE 82 CO 0.01 0.47 0.17 -0.83 0.00 0.00 0.00 174.94 174.77 1kyx s GLY 83 N 1.23 1.93 -0.13 6.18 0.00 -0.68 -1.69 107.32 114.16 1kyx s GLY 83 Ca -0.00 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1kyx s GLY 83 CO -0.07 0.59 -0.21 -0.42 0.00 0.00 0.00 173.10 172.99 1kyx s ILE 84 N 1.60 2.21 0.15 0.90 1.01 0.24 -0.29 121.20 127.01 1kyx s ILE 84 Ca 0.07 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1kyx s ILE 84 Cb -0.15 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.49 1kyx s ILE 84 CO 0.09 0.55 0.52 -0.83 0.00 0.00 0.00 174.94 175.27 1kyx s GLY 85 N 0.65 -0.48 -0.16 6.18 0.00 -0.73 -1.29 107.32 111.49 1kyx s GLY 85 Ca -0.11 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 1kyx s GLY 85 CO 0.02 -0.03 -0.01 0.14 0.00 0.00 0.00 173.10 173.22 1kyx s VAL 86 N -3.77 0.81 -0.20 1.40 1.01 -1.26 -1.42 120.40 116.97 1kyx s VAL 86 Ca 0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1kyx s VAL 86 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1kyx s VAL 86 CO -0.13 0.04 0.03 -0.76 0.00 0.00 0.00 175.10 174.28 1kyx s LEU 87 N 1.75 3.46 -0.14 3.92 1.43 -0.18 -4.79 118.68 124.13 1kyx s LEU 87 Ca 0.01 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1kyx s LEU 87 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1kyx s LEU 87 CO -0.07 0.09 -0.13 -0.63 0.23 0.00 0.00 176.35 175.83 1kyx s ILE 88 N 0.85 2.92 0.13 -0.59 1.01 -1.26 -1.05 121.20 123.22 1kyx s ILE 88 Ca 0.02 -0.70 -0.33 0.00 0.00 0.00 0.00 60.65 59.65 1kyx s ILE 88 Cb -0.14 -2.23 -0.12 0.00 0.01 0.00 0.00 42.46 39.98 1kyx s ILE 88 CO 0.02 0.52 1.73 1.17 0.00 0.00 0.00 174.94 178.38 1kyx n LYS 89 N 3.77 2.49 0.00 2.79 3.00 -0.15 -4.87 118.16 125.19 1kyx n LYS 89 Ca -0.18 0.90 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 1kyx n LYS 89 Cb 0.52 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.81 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 3.91 4.43 0.20 3.14 0.00 -1.26 -4.82 105.19 110.79 1kyx n GLY 90 Ca 0.18 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.06 1.61 0.02 -2.02 -3.47 113.55 105.63 1kyx h SER 91 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 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 0.00 -0.02 0.35 -1.14 0.00 0.00 176.83 176.02 1kyx n THR 92 N -2.95 0.00 0.83 -2.27 -2.24 -1.26 -5.01 114.28 101.39 1kyx n THR 92 Ca 0.04 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1kyx n THR 92 Cb 0.52 -0.71 0.28 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.92 1.98 -0.16 -0.78 0.00 -1.26 -4.33 117.12 111.64 1kyx n MET 93 Ca 0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 57.70 56.20 1kyx n MET 93 Cb 0.07 -1.40 0.07 0.00 0.00 0.00 0.00 33.22 31.97 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 2.76 0.17 -0.52 2.03 -0.00 -1.95 -2.48 115.15 115.17 1kyx h HIS 94 Ca 0.00 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.50 1kyx h HIS 94 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 27.93 1kyx h HIS 94 CO 0.20 -0.01 -0.12 0.35 -0.00 0.00 0.00 177.93 178.35 1kyx h PHE 95 N 0.24 -0.26 -0.08 5.26 3.57 -1.90 -0.64 116.94 123.14 1kyx h PHE 95 Ca 0.26 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1kyx h PHE 95 Cb 0.35 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1kyx h PHE 95 CO -0.23 -0.22 0.04 0.93 -2.23 0.00 0.00 178.31 176.61 1kyx h GLU 96 N 0.01 0.11 -0.16 1.11 3.07 -1.77 -1.80 114.58 115.15 1kyx h GLU 96 Ca 0.25 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.89 1kyx h GLU 96 Cb 0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1kyx h GLU 96 CO -0.52 0.15 -0.71 1.88 -1.40 0.00 0.00 179.01 178.41 1kyx h TYR 97 N 0.04 0.91 -0.08 4.33 0.05 -1.23 -2.28 116.97 118.70 1kyx h TYR 97 Ca 0.03 -0.38 -0.01 0.00 0.05 0.00 0.00 58.73 58.42 1kyx h TYR 97 Cb 0.07 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 1kyx h TYR 97 CO -0.05 1.18 0.02 0.82 -1.05 0.00 0.00 178.16 179.09 1kyx h ILE 98 N 0.48 1.19 -0.39 -2.88 2.04 -1.16 -1.63 117.51 115.17 1kyx h ILE 98 Ca -0.03 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.31 1kyx h ILE 98 Cb 1.31 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 1kyx h ILE 98 CO 0.14 0.17 -0.06 0.28 0.00 0.00 0.00 178.15 178.68 1kyx h SER 99 N -0.08 -0.29 -0.37 1.72 0.02 -1.34 0.16 113.55 113.36 1kyx h SER 99 Ca 0.03 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1kyx h SER 99 Cb 0.25 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1kyx h SER 99 CO 0.00 -0.10 0.17 -0.08 -1.14 0.00 0.00 176.83 175.68 1kyx h GLU 100 N 0.03 0.54 -0.58 3.45 4.81 -1.36 -1.76 114.58 119.71 1kyx h GLU 100 Ca 0.19 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1kyx h GLU 100 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1kyx h GLU 100 CO -0.37 0.49 -0.03 0.00 -0.73 0.00 0.00 179.01 178.36 1kyx h ALA 101 N 1.02 0.85 -0.34 2.92 0.00 -0.67 -2.13 119.26 120.92 1kyx h ALA 101 Ca 0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1kyx h ALA 101 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1kyx h ALA 101 CO -0.02 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 180.06 1kyx h VAL 102 N 0.93 1.28 -0.43 0.00 2.07 -0.63 0.22 116.25 119.70 1kyx h VAL 102 Ca 0.16 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1kyx h VAL 102 Cb 0.58 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1kyx h VAL 102 CO 0.03 0.39 0.20 0.58 0.02 0.00 0.00 177.57 178.80 1kyx h VAL 103 N 0.45 1.18 -0.50 2.57 2.07 -1.28 0.08 116.25 120.83 1kyx h VAL 103 Ca 0.08 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1kyx h VAL 103 Cb 0.63 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1kyx h VAL 103 CO 0.04 0.20 0.04 0.45 0.02 0.00 0.00 177.57 178.32 1kyx h HIS 104 N 0.55 0.85 -0.56 1.57 -0.00 -1.34 -2.41 115.15 113.81 1kyx h HIS 104 Ca 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1kyx h HIS 104 Cb 0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 1kyx h HIS 104 CO -0.01 0.76 0.23 0.78 -0.00 0.00 0.00 177.93 179.69 1kyx h GLY 105 N 0.97 0.89 1.05 2.45 0.00 -0.32 -1.56 103.07 106.56 1kyx h GLY 105 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1kyx h GLY 105 CO 0.01 0.45 0.17 1.41 0.00 0.00 0.00 176.54 178.58 1kyx h LEU 106 N 0.76 1.02 -0.54 3.11 3.38 -0.82 -1.28 115.31 120.95 1kyx h LEU 106 Ca 0.19 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1kyx h LEU 106 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1kyx h LEU 106 CO -0.02 0.99 0.10 -0.03 0.09 0.00 0.00 178.44 179.57 1kyx h MET 107 N 1.01 0.88 -0.16 1.13 4.05 -1.30 -2.30 114.93 118.24 1kyx h MET 107 Ca 0.21 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1kyx h MET 107 Cb 0.36 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1kyx h MET 107 CO 0.00 0.85 0.08 -0.09 0.23 0.00 0.00 176.91 177.99 1kyx h ARG 108 N 0.77 0.23 -0.74 0.39 2.43 -0.86 -1.12 114.38 115.48 1kyx h ARG 108 Ca 0.16 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1kyx h ARG 108 Cb 0.39 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1kyx h ARG 108 CO 0.01 0.25 0.43 0.28 -1.51 0.00 0.00 179.97 179.44 1kyx h VAL 109 N 0.14 1.00 -0.55 0.20 2.07 -1.18 0.19 116.25 118.12 1kyx h VAL 109 Ca 0.05 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1kyx h VAL 109 Cb 0.10 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1kyx h VAL 109 CO -0.01 0.15 -0.02 1.23 0.02 0.00 0.00 177.57 178.94 1kyx h GLY 110 N 0.80 1.04 1.77 2.17 0.00 -1.15 -2.28 103.07 105.42 1kyx h GLY 110 Ca 0.33 -0.75 -0.20 0.00 0.00 0.00 0.00 47.33 46.70 1kyx h GLY 110 CO -0.17 0.69 -0.90 1.41 0.00 0.00 0.00 176.54 177.56 1kyx h LEU 111 N 0.88 0.26 -0.24 3.11 3.38 -0.64 -1.62 115.31 120.44 1kyx h LEU 111 Ca 0.16 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1kyx h LEU 111 Cb 0.54 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1kyx h LEU 111 CO 0.03 1.03 -0.15 0.44 0.09 0.00 0.00 178.44 179.88 1kyx h ASP 112 N 0.11 0.54 1.27 -0.43 3.32 -0.57 -3.31 116.42 117.34 1kyx h ASP 112 Ca -0.05 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1kyx h ASP 112 Cb 1.54 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1kyx h ASP 112 CO 0.14 0.86 -0.76 0.77 -1.72 0.00 0.00 179.24 178.53 1kyx h SER 113 N 0.23 0.00 0.00 6.45 4.64 -1.49 -3.48 113.55 119.90 1kyx h SER 113 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1kyx h SER 113 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1kyx h SER 113 CO 0.04 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1kyx n GLY 114 N 1.23 0.89 3.68 -0.77 0.00 -0.61 -5.02 105.19 104.58 1kyx n GLY 114 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.51 5.19 0.11 1.61 1.01 -1.20 -5.02 120.40 118.59 1kyx s VAL 115 Ca 0.00 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 1kyx s VAL 115 Cb 0.00 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 1kyx s VAL 115 CO 0.00 0.26 1.83 -2.84 0.00 0.00 0.00 175.10 174.35 1kyx s PRO 116 N 1.18 4.14 -0.27 2.72 0.02 -1.26 -4.46 135.00 137.06 1kyx s PRO 116 Ca 0.21 2.58 -0.05 0.00 0.02 0.00 0.00 61.00 63.76 1kyx s PRO 116 Cb -0.15 -3.63 0.01 0.00 0.02 0.00 0.00 34.50 30.75 1kyx s PRO 116 CO 0.08 -0.84 0.03 0.08 -0.33 0.00 0.00 177.00 176.02 1kyx s VAL 117 N 2.85 3.61 -0.04 3.83 1.01 -1.26 -0.95 120.40 129.45 1kyx s VAL 117 Ca 0.81 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1kyx s VAL 117 Cb -0.45 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1kyx s VAL 117 CO 0.36 0.15 0.56 -0.63 0.00 0.00 0.00 175.10 175.55 1kyx s ILE 118 N 1.45 5.00 -0.59 2.22 1.09 0.14 -4.98 121.20 125.53 1kyx s ILE 118 Ca 0.02 1.17 -0.26 0.00 -1.10 0.00 0.00 60.65 60.48 1kyx s ILE 118 Cb -0.17 -3.90 0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1kyx s ILE 118 CO 0.00 0.39 1.08 -0.22 -0.10 0.00 0.00 174.94 176.09 1kyx s LEU 119 N 0.05 3.77 -0.40 2.97 2.96 -1.26 -1.68 118.68 125.09 1kyx s LEU 119 Ca 0.30 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1kyx s LEU 119 Cb -0.17 -2.88 0.46 0.00 0.50 0.00 0.00 46.19 44.09 1kyx s LEU 119 CO 0.15 -1.41 1.47 0.61 -1.32 0.00 0.00 176.35 175.85 1kyx n GLY 120 N 5.15 6.11 3.66 7.98 0.00 0.61 -4.97 105.19 123.73 1kyx n GLY 120 Ca 0.04 -2.43 -0.35 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.64 3.98 -0.18 0.99 2.96 -1.24 -1.77 118.68 119.79 1kyx s LEU 121 Ca 0.55 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1kyx s LEU 121 Cb 0.44 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1kyx s LEU 121 CO 0.02 0.14 0.03 -0.76 -1.32 0.00 0.00 176.35 174.46 1kyx s LEU 122 N 0.59 3.59 -0.52 -0.68 1.43 -0.51 -4.96 118.68 117.63 1kyx s LEU 122 Ca 0.06 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1kyx s LEU 122 Cb -0.12 -1.90 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1kyx s LEU 122 CO 0.01 0.16 0.26 0.42 0.23 0.00 0.00 176.35 177.42 1kyx s THR 123 N 0.46 2.61 0.31 5.49 -4.23 -1.26 -1.01 115.64 118.02 1kyx s THR 123 Ca 0.01 -3.28 0.08 0.00 -1.18 0.00 0.00 61.69 57.32 1kyx s THR 123 Cb -0.13 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1kyx s THR 123 CO 0.01 -0.79 0.13 0.68 -0.54 0.00 0.00 174.62 174.11 1kyx s VAL 124 N -0.25 3.40 -0.15 2.29 -7.23 -0.21 -5.02 120.40 113.23 1kyx s VAL 124 Ca 0.17 -1.66 0.17 0.00 -1.81 0.00 0.00 61.98 58.84 1kyx s VAL 124 Cb -0.26 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1kyx s VAL 124 CO -0.00 -0.25 1.10 -0.07 -0.31 0.00 0.00 175.10 175.56 1kyx h LEU 125 N 1.58 0.00 -7.52 1.32 3.38 -1.92 -0.38 115.31 111.77 1kyx h LEU 125 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1kyx h LEU 125 Cb 1.25 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.89 1kyx h LEU 125 CO 0.61 0.47 0.04 0.54 0.09 0.00 0.00 178.44 180.20 1kyx s ASN 126 N -6.00 -0.30 0.25 -0.43 2.20 -1.26 -4.23 114.94 105.16 1kyx s ASN 126 Ca 0.00 -0.38 -0.04 0.00 -0.94 0.00 0.00 52.86 51.51 1kyx s ASN 126 Cb 0.08 0.56 0.48 0.00 -2.00 0.00 0.00 41.25 40.37 1kyx s ASN 126 CO 0.78 -1.00 1.72 -0.08 -2.94 0.00 0.00 177.10 175.57 1kyx h GLU 127 N 2.20 0.39 -0.52 3.55 4.57 -1.97 -2.50 114.58 120.29 1kyx h GLU 127 Ca -0.30 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1kyx h GLU 127 Cb 1.27 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.70 1kyx h GLU 127 CO 0.39 0.26 0.14 0.93 -1.18 0.00 0.00 179.01 179.55 1kyx h GLU 128 N 0.40 0.28 -0.35 1.92 3.07 -2.00 -1.05 114.58 116.86 1kyx h GLU 128 Ca 0.43 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1kyx h GLU 128 Cb 0.68 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1kyx h GLU 128 CO -0.44 0.19 0.23 1.96 -1.40 0.00 0.00 179.01 179.55 1kyx h GLN 129 N 0.29 0.44 -0.00 2.33 4.20 -1.87 -1.27 115.11 119.23 1kyx h GLN 129 Ca 0.26 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1kyx h GLN 129 Cb 0.34 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1kyx h GLN 129 CO -0.31 0.29 -0.00 0.00 -0.67 0.00 0.00 178.83 178.14 1kyx h ALA 130 N 1.79 0.01 -0.76 3.87 0.00 -1.20 -2.79 119.26 120.18 1kyx h ALA 130 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kyx h ALA 130 Cb -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1kyx h ALA 130 CO -0.03 -0.28 0.48 -0.07 0.00 0.00 0.00 179.25 179.34 1kyx h LEU 131 N -0.40 0.89 -0.83 0.00 3.38 -1.05 -1.82 115.31 115.47 1kyx h LEU 131 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1kyx h LEU 131 Cb 0.42 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1kyx h LEU 131 CO 0.00 0.66 0.39 0.22 0.09 0.00 0.00 178.44 179.81 1kyx h TYR 132 N 1.03 1.21 -0.00 1.13 3.20 -1.21 -0.87 116.97 121.46 1kyx h TYR 132 Ca 0.27 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1kyx h TYR 132 Cb -0.08 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.82 1kyx h TYR 132 CO 0.00 0.88 -0.04 0.54 -1.64 0.00 0.00 178.16 177.90 1kyx n ARG 133 N -4.32 0.68 -0.18 1.82 1.74 -0.90 -2.64 116.66 112.86 1kyx n ARG 133 Ca 0.08 -0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 1kyx n ARG 133 Cb 0.14 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.06 2.43 -0.38 7.54 0.00 -0.61 -1.24 120.51 127.18 1kyx n ALA 134 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1kyx n ALA 134 Cb 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 1.48 0.75 3.98 0.00 0.00 -1.08 -4.55 105.19 105.76 1kyx n GLY 135 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 3.61 -1.62 0.99 1.02 -0.43 -4.32 118.68 117.93 1kyx s LEU 136 Ca 0.00 -0.01 -0.17 0.00 0.02 0.00 0.00 54.13 53.97 1kyx s LEU 136 Cb 0.00 -2.91 0.14 0.00 0.02 0.00 0.00 46.19 43.44 1kyx s LEU 136 CO 0.00 -0.78 0.77 0.59 0.02 0.00 0.00 176.35 176.94 1kyx n ASN 137 N -2.03 -3.50 0.00 2.29 3.02 -1.26 -1.45 115.26 112.32 1kyx n ASN 137 Ca 0.04 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1kyx n ASN 137 Cb 0.59 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.89 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 -1.37 0.77 3.96 7.41 0.00 -1.26 -5.00 105.19 109.70 1kyx n GLY 138 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.55 1.75 -0.19 -0.02 0.00 -0.53 -5.08 107.32 101.71 1kyx s GLY 139 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 44.72 43.33 1kyx s GLY 139 CO 0.00 -0.79 0.24 -1.58 0.00 0.00 0.00 173.10 170.97 1kyx s HIS 140 N -3.20 3.42 -0.30 1.90 5.65 -1.20 -4.22 115.29 117.34 1kyx s HIS 140 Ca 0.63 0.48 -0.29 0.00 0.25 0.00 0.00 55.06 56.13 1kyx s HIS 140 Cb -0.08 -2.30 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 1kyx s HIS 140 CO 0.44 0.21 1.53 1.21 -0.65 0.00 0.00 174.74 177.48 1kyx s ASN 141 N 0.57 6.35 0.46 9.88 3.84 -1.26 -3.75 114.94 131.03 1kyx s ASN 141 Ca 0.13 1.30 0.24 0.00 0.21 0.00 0.00 52.86 54.74 1kyx s ASN 141 Cb -0.13 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 39.12 1kyx s ASN 141 CO 0.03 -1.33 1.90 0.45 -2.79 0.00 0.00 177.10 175.36 1kyx h HIS 142 N 10.76 0.00 -0.77 0.43 3.86 -1.49 -2.85 115.15 125.09 1kyx h HIS 142 Ca -0.31 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.07 1kyx h HIS 142 Cb 1.13 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 1kyx h HIS 142 CO 0.93 0.21 0.52 0.78 0.86 0.00 0.00 177.93 181.23 1kyx h GLY 143 N 1.59 0.67 0.95 2.45 0.00 -1.80 -0.85 103.07 106.08 1kyx h GLY 143 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1kyx h GLY 143 CO 0.03 0.04 0.05 3.43 0.00 0.00 0.00 176.54 180.09 1kyx h ASN 144 N 0.38 0.11 -0.96 0.19 -0.26 -1.66 -0.57 115.58 112.80 1kyx h ASN 144 Ca 0.38 -0.06 0.03 0.00 -0.56 0.00 0.00 56.30 56.09 1kyx h ASN 144 Cb 0.94 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 38.12 1kyx h ASN 144 CO -0.12 0.14 0.63 0.44 -1.06 0.00 0.00 177.43 177.46 1kyx h ASP 145 N 0.07 1.07 -0.55 5.81 3.32 -1.35 -1.58 116.42 123.21 1kyx h ASP 145 Ca 0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1kyx h ASP 145 Cb 0.05 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1kyx h ASP 145 CO -0.01 0.75 0.14 -0.50 -1.72 0.00 0.00 179.24 177.90 1kyx h TRP 146 N 1.25 0.97 -0.27 4.55 6.55 -0.79 -0.82 115.95 127.39 1kyx h TRP 146 Ca 0.37 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 60.10 1kyx h TRP 146 Cb -0.06 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 27.95 1kyx h TRP 146 CO -0.00 0.81 0.15 0.78 -1.05 0.00 0.00 178.44 179.12 1kyx h GLY 147 N 1.02 0.41 1.60 1.49 0.00 -0.15 -0.31 103.07 107.12 1kyx h GLY 147 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1kyx h GLY 147 CO 0.00 0.18 -0.09 1.76 0.00 0.00 0.00 176.54 178.39 1kyx h SER 148 N 0.32 0.47 -0.25 0.19 0.02 -1.18 -2.33 113.55 110.79 1kyx h SER 148 Ca 0.10 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1kyx h SER 148 Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1kyx h SER 148 CO -0.01 0.60 0.01 0.00 -1.14 0.00 0.00 176.83 176.29 1kyx h ALA 149 N 1.45 0.34 -0.17 3.77 0.00 -0.65 -1.15 119.26 122.85 1kyx h ALA 149 Ca 0.09 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1kyx h ALA 149 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1kyx h ALA 149 CO 0.02 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.17 1kyx h ALA 150 N 0.83 -0.05 -0.10 0.00 0.00 -0.81 -0.33 119.26 118.79 1kyx h ALA 150 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1kyx h ALA 150 Cb 0.39 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1kyx h ALA 150 CO 0.01 -0.60 0.01 0.28 0.00 0.00 0.00 179.25 178.94 1kyx h VAL 151 N -0.19 0.94 -0.42 0.00 2.07 -1.28 0.80 116.25 118.17 1kyx h VAL 151 Ca 0.11 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1kyx h VAL 151 Cb 0.35 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1kyx h VAL 151 CO -0.28 0.01 0.24 -0.08 0.02 0.00 0.00 177.57 177.48 1kyx h GLU 152 N 0.04 0.47 -0.14 1.57 4.81 -0.92 -1.82 114.58 118.60 1kyx h GLU 152 Ca 0.05 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1kyx h GLU 152 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1kyx h GLU 152 CO -0.07 0.31 -0.38 0.52 -0.73 0.00 0.00 179.01 178.66 1kyx h MET 153 N 0.49 0.31 -0.50 1.92 2.86 -0.82 -1.65 114.93 117.54 1kyx h MET 153 Ca 0.17 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1kyx h MET 153 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1kyx h MET 153 CO -0.09 0.65 0.08 0.78 1.06 0.00 0.00 176.91 179.39 1kyx h GLY 154 N 1.16 0.90 1.28 8.32 0.00 -0.44 -2.53 103.07 111.76 1kyx h GLY 154 Ca 0.03 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1kyx h GLY 154 CO 0.06 0.55 -0.41 1.41 0.00 0.00 0.00 176.54 178.16 1kyx h LEU 155 N 0.71 0.84 -0.06 3.11 3.38 -1.20 -3.04 115.31 119.05 1kyx h LEU 155 Ca 0.15 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1kyx h LEU 155 Cb 0.40 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kyx h LEU 155 CO 0.01 1.14 0.00 0.29 0.09 0.00 0.00 178.44 179.97 1kyx n LYS 156 N -4.04 0.03 -0.12 1.13 5.02 -0.63 -0.67 118.16 118.88 1kyx n LYS 156 Ca -0.02 0.18 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 1kyx n LYS 156 Cb 0.54 -1.55 0.29 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.54 2.49 -0.31 7.82 0.00 -0.96 -5.08 120.51 122.92 1kyx n ALA 157 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1kyx n ALA 157 Cb 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1kyx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78