#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kz4 n ASP 12 N 0.00 2.69 -4.68 -3.46 2.03 -1.26 -5.02 116.55 106.84 1kz4 n ASP 12 Ca 0.00 -3.55 -0.42 0.00 0.52 0.00 0.00 54.79 51.33 1kz4 n ASP 12 Cb 0.00 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.79 1kz4 n ASP 12 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1kz4 s LEU 13 N -3.12 4.25 -0.09 -2.67 1.43 -1.26 -5.04 118.68 112.19 1kz4 s LEU 13 Ca 0.42 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1kz4 s LEU 13 Cb 0.38 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1kz4 s LEU 13 CO 0.01 -0.53 -0.03 -0.54 0.23 0.00 0.00 176.35 175.49 1kz4 s LYS 14 N 2.24 2.96 -0.39 1.70 -0.14 -1.26 -4.43 119.74 120.42 1kz4 s LYS 14 Ca 0.52 -0.47 0.09 0.00 -1.36 0.00 0.00 55.97 54.75 1kz4 s LYS 14 Cb -0.21 -2.73 0.27 0.00 -1.68 0.00 0.00 37.83 33.48 1kz4 s LYS 14 CO 0.19 0.65 0.58 0.41 -0.76 0.00 0.00 175.35 176.42 1kz4 n GLY 15 N 2.29 2.99 0.09 -3.33 0.00 0.11 -4.96 105.19 102.37 1kz4 n GLY 15 Ca -0.18 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.37 1kz4 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kz4 n PRO 16 N 1.14 0.14 -0.16 1.61 -0.04 -1.24 -2.78 135.00 133.67 1kz4 n PRO 16 Ca 0.22 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 64.12 1kz4 n PRO 16 Cb 0.56 -1.77 0.16 0.00 -0.04 0.00 0.00 33.50 32.41 1kz4 n PRO 16 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1kz4 n GLU 17 N -2.03 2.30 -2.79 0.54 1.02 -1.26 -4.49 120.64 113.93 1kz4 n GLU 17 Ca 0.02 -1.95 -0.36 0.00 -0.02 0.00 0.00 57.16 54.85 1kz4 n GLU 17 Cb 0.21 -1.32 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 1kz4 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kz4 s LEU 18 N -1.05 4.27 -0.27 -4.62 1.43 -1.12 -5.05 118.68 112.28 1kz4 s LEU 18 Ca 0.26 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1kz4 s LEU 18 Cb 0.14 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.31 1kz4 s LEU 18 CO 0.19 -0.11 -0.06 -0.13 0.23 0.00 0.00 176.35 176.47 1kz4 s ARG 19 N -2.24 2.46 -0.07 1.70 0.52 -1.26 -4.74 118.95 115.32 1kz4 s ARG 19 Ca 0.52 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1kz4 s ARG 19 Cb -0.17 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1kz4 s ARG 19 CO 0.22 -0.54 0.03 0.42 0.02 0.00 0.00 175.30 175.45 1kz4 s ILE 20 N 1.21 4.50 -0.06 1.52 -1.09 -0.68 -0.71 121.20 125.89 1kz4 s ILE 20 Ca -0.05 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1kz4 s ILE 20 Cb -0.19 -2.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1kz4 s ILE 20 CO -0.04 0.54 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.84 1kz4 s LEU 21 N -1.12 2.67 -0.11 2.97 2.96 -0.93 -1.29 118.68 123.84 1kz4 s LEU 21 Ca 0.16 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1kz4 s LEU 21 Cb -0.12 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.05 1kz4 s LEU 21 CO 0.05 0.30 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.66 1kz4 s ILE 22 N -0.48 1.13 -0.20 6.68 1.01 0.75 -1.35 121.20 128.73 1kz4 s ILE 22 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1kz4 s ILE 22 Cb -0.12 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.27 1kz4 s ILE 22 CO 0.02 0.38 -0.17 -0.69 0.00 0.00 0.00 174.94 174.48 1kz4 s VAL 23 N 1.52 2.03 0.12 2.92 1.01 -0.75 0.41 120.40 127.66 1kz4 s VAL 23 Ca 0.02 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1kz4 s VAL 23 Cb -0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1kz4 s VAL 23 CO -0.07 0.37 -0.19 -1.38 0.00 0.00 0.00 175.10 173.83 1kz4 s HIS 24 N 1.26 1.72 0.65 5.22 -3.43 -0.29 -1.27 115.29 119.14 1kz4 s HIS 24 Ca 0.01 -0.44 -0.10 0.00 -0.80 0.00 0.00 55.06 53.73 1kz4 s HIS 24 Cb -0.15 -0.92 -0.01 0.00 -1.43 0.00 0.00 32.58 30.08 1kz4 s HIS 24 CO -0.11 0.22 1.03 0.00 -2.00 0.00 0.00 174.74 173.88 1kz4 s ALA 25 N -1.46 3.05 -1.36 -1.38 0.00 -0.83 -1.53 121.76 118.24 1kz4 s ALA 25 Ca 0.08 -0.33 0.17 0.00 0.00 0.00 0.00 51.96 51.89 1kz4 s ALA 25 Cb -0.09 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1kz4 s ALA 25 CO 0.05 -0.90 0.84 0.54 0.00 0.00 0.00 175.76 176.29 1kz4 n ARG 26 N -2.82 1.58 -2.20 0.00 1.74 -0.83 -4.83 116.66 109.30 1kz4 n ARG 26 Ca 0.06 -0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 56.11 1kz4 n ARG 26 Cb 0.56 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 1kz4 n ARG 26 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1kz4 s TRP 27 N -2.17 3.26 -0.70 -1.55 -0.00 -1.23 -3.85 118.94 112.70 1kz4 s TRP 27 Ca 0.12 1.05 -0.02 0.00 -0.00 0.00 0.00 56.10 57.25 1kz4 s TRP 27 Cb 0.14 -3.64 -0.02 0.00 -0.00 0.00 0.00 33.47 29.94 1kz4 s TRP 27 CO 0.51 -2.17 0.63 -1.71 -0.00 0.00 0.00 176.95 174.21 1kz4 n ASN 28 N 3.55 -6.23 0.23 5.86 4.05 -1.26 -4.69 115.26 116.76 1kz4 n ASN 28 Ca 0.10 -0.28 0.16 0.00 0.45 0.00 0.00 54.58 55.00 1kz4 n ASN 28 Cb 0.43 -4.36 0.60 0.00 1.23 0.00 0.00 39.78 37.67 1kz4 n ASN 28 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1kz4 h LEU 29 N -0.17 0.00 -2.08 1.20 3.38 -1.93 -3.05 115.31 112.66 1kz4 h LEU 29 Ca -0.21 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1kz4 h LEU 29 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1kz4 h LEU 29 CO 0.29 0.00 0.18 1.56 0.09 0.00 0.00 178.44 180.56 1kz4 h GLN 30 N 0.00 0.00 0.00 1.13 7.50 -1.94 -2.78 115.11 119.02 1kz4 h GLN 30 Ca 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.82 1kz4 h GLN 30 Cb 0.51 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.98 1kz4 h GLN 30 CO 0.00 0.00 -2.24 0.00 -1.50 0.00 0.00 178.83 175.09 1kz4 n ALA 31 N -2.51 1.53 0.09 3.87 0.00 -1.18 -4.58 120.51 117.73 1kz4 n ALA 31 Ca 0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1kz4 n ALA 31 Cb 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 1kz4 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kz4 h ILE 32 N 0.00 0.52 -0.32 0.00 1.08 -1.42 -3.01 117.51 114.35 1kz4 h ILE 32 Ca -0.49 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.05 1kz4 h ILE 32 Cb 1.83 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 36.02 1kz4 h ILE 32 CO -0.05 0.00 -0.28 -0.33 -0.69 0.00 0.00 178.15 176.79 1kz4 h GLU 33 N -0.38 -0.24 -0.55 2.37 5.08 -1.76 -0.14 114.58 118.96 1kz4 h GLU 33 Ca 0.04 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1kz4 h GLU 33 Cb 0.42 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1kz4 h GLU 33 CO -0.15 -0.16 0.37 -1.35 -1.00 0.00 0.00 179.01 176.72 1kz4 h PRO 34 N -0.25 0.50 0.10 2.33 0.11 -1.80 0.16 132.00 133.14 1kz4 h PRO 34 Ca 0.16 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1kz4 h PRO 34 Cb 0.50 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1kz4 h PRO 34 CO -0.47 0.33 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.53 1kz4 h LEU 35 N 0.51 -0.11 -0.91 2.35 3.38 -1.12 -0.23 115.31 119.18 1kz4 h LEU 35 Ca 0.24 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1kz4 h LEU 35 Cb 0.29 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1kz4 h LEU 35 CO -0.07 0.37 0.59 0.58 0.09 0.00 0.00 178.44 180.01 1kz4 h VAL 36 N -0.63 1.16 -0.33 1.22 2.07 -0.66 -0.82 116.25 118.27 1kz4 h VAL 36 Ca -0.01 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1kz4 h VAL 36 Cb 0.50 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1kz4 h VAL 36 CO 0.02 0.21 0.04 0.50 0.02 0.00 0.00 177.57 178.37 1kz4 h LYS 37 N 1.16 0.55 -0.80 1.57 3.64 -0.71 -1.80 116.57 120.17 1kz4 h LYS 37 Ca 0.36 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1kz4 h LYS 37 Cb -0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1kz4 h LYS 37 CO -0.12 0.64 0.37 0.78 -2.27 0.00 0.00 179.45 178.85 1kz4 h GLY 38 N 0.37 1.24 0.85 5.01 0.00 -0.52 -0.91 103.07 109.12 1kz4 h GLY 38 Ca 0.10 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1kz4 h GLY 38 CO 0.01 0.59 -0.03 0.00 0.00 0.00 0.00 176.54 177.11 1kz4 h ALA 39 N 1.26 -0.10 -0.07 3.60 0.00 -0.96 -2.18 119.26 120.82 1kz4 h ALA 39 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kz4 h ALA 39 Cb 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kz4 h ALA 39 CO -0.03 -0.48 0.04 0.28 0.00 0.00 0.00 179.25 179.06 1kz4 h VAL 40 N -0.25 1.06 -0.95 0.00 2.07 -1.15 -2.29 116.25 114.74 1kz4 h VAL 40 Ca -0.01 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1kz4 h VAL 40 Cb 0.21 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1kz4 h VAL 40 CO 0.02 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.95 1kz4 h GLU 41 N 0.04 1.18 -0.48 1.57 5.08 -1.18 -1.90 114.58 118.88 1kz4 h GLU 41 Ca 0.02 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1kz4 h GLU 41 Cb 0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1kz4 h GLU 41 CO -0.00 0.78 -0.09 1.15 -1.00 0.00 0.00 179.01 179.84 1kz4 h THR 42 N 1.21 1.27 -0.67 1.13 2.02 -1.26 0.24 112.91 116.85 1kz4 h THR 42 Ca 0.38 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 1kz4 h THR 42 Cb -0.02 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1kz4 h THR 42 CO -0.12 0.42 0.12 0.24 0.37 0.00 0.00 175.52 176.56 1kz4 h MET 43 N 0.77 1.10 0.13 6.66 2.86 -1.13 -0.82 114.93 124.51 1kz4 h MET 43 Ca 0.13 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1kz4 h MET 43 Cb 0.64 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1kz4 h MET 43 CO 0.04 1.00 -0.06 0.82 1.06 0.00 0.00 176.91 179.77 1kz4 h ILE 44 N 1.02 0.63 0.00 -1.22 2.04 -1.28 -1.52 117.51 117.17 1kz4 h ILE 44 Ca 0.21 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1kz4 h ILE 44 Cb 0.42 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1kz4 h ILE 44 CO 0.01 0.18 -0.35 -0.33 0.00 0.00 0.00 178.15 177.66 1kz4 h GLU 45 N -0.97 0.00 0.00 2.37 5.08 -1.03 -2.89 114.58 117.14 1kz4 h GLU 45 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kz4 h GLU 45 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1kz4 h GLU 45 CO 0.03 0.35 -1.28 1.63 -1.00 0.00 0.00 179.01 178.75 1kz4 n LYS 46 N -3.43 0.93 0.00 2.33 5.02 -0.32 -4.71 118.16 117.98 1kz4 n LYS 46 Ca 0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1kz4 n LYS 46 Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1kz4 n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kz4 n HIS 47 N -1.73 0.00 -2.06 2.13 8.25 -0.97 -4.76 115.22 116.07 1kz4 n HIS 47 Ca -0.01 -0.39 -0.21 0.00 -0.26 0.00 0.00 57.72 56.85 1kz4 n HIS 47 Cb 0.24 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 1kz4 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kz4 n ASP 48 N -0.39 -5.77 -4.78 0.41 10.43 -1.09 0.04 116.55 115.40 1kz4 n ASP 48 Ca 0.00 0.21 -0.35 0.00 2.57 0.00 0.00 54.79 57.22 1kz4 n ASP 48 Cb 0.26 -4.92 -0.02 0.00 1.84 0.00 0.00 41.12 38.27 1kz4 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1kz4 s VAL 49 N -2.93 3.47 -0.21 2.53 1.01 -0.61 -3.61 120.40 120.04 1kz4 s VAL 49 Ca 0.00 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 1kz4 s VAL 49 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1kz4 s VAL 49 CO 0.00 -0.13 0.43 -0.54 0.00 0.00 0.00 175.10 174.87 1kz4 s LYS 50 N -3.01 4.16 0.36 2.72 1.02 -1.26 -4.39 119.74 119.34 1kz4 s LYS 50 Ca 0.66 0.25 0.18 0.00 0.02 0.00 0.00 55.97 57.08 1kz4 s LYS 50 Cb -0.22 -3.56 1.16 0.00 -0.52 0.00 0.00 37.83 34.70 1kz4 s LYS 50 CO 0.26 -0.10 1.66 1.25 -0.92 0.00 0.00 175.35 177.50 1kz4 h LEU 51 N 7.84 0.46 0.00 3.17 6.46 -1.95 1.10 115.31 132.38 1kz4 h LEU 51 Ca -0.35 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1kz4 h LEU 51 Cb 1.16 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1kz4 h LEU 51 CO 0.72 -0.15 0.00 -1.84 -0.62 0.00 0.00 178.44 176.54 1kz4 n GLU 52 N -4.99 0.02 -0.54 1.25 0.00 -1.26 -2.26 120.64 112.86 1kz4 n GLU 52 Ca 0.33 0.18 0.10 0.00 0.00 0.00 0.00 57.16 57.77 1kz4 n GLU 52 Cb 1.07 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 31.35 1kz4 n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1kz4 n ASN 53 N -1.48 4.51 -4.14 -1.84 3.02 0.38 -4.84 115.26 110.86 1kz4 n ASN 53 Ca 0.05 -2.34 -0.34 0.00 -0.03 0.00 0.00 54.58 51.92 1kz4 n ASN 53 Cb 0.21 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 1kz4 n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kz4 s ILE 54 N -1.64 2.65 -0.25 2.41 1.01 -0.96 -1.68 121.20 122.74 1kz4 s ILE 54 Ca 0.50 -1.36 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1kz4 s ILE 54 Cb 0.31 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1kz4 s ILE 54 CO 0.26 0.03 0.28 -1.81 0.00 0.00 0.00 174.94 173.69 1kz4 s ASP 55 N 1.22 6.21 -0.21 3.58 -0.00 -0.41 -5.01 116.67 122.05 1kz4 s ASP 55 Ca -0.05 0.23 -0.04 0.00 -0.00 0.00 0.00 52.55 52.70 1kz4 s ASP 55 Cb -0.19 -2.16 -0.01 0.00 -0.00 0.00 0.00 42.92 40.56 1kz4 s ASP 55 CO -0.04 -0.05 -0.05 -0.63 -0.00 0.00 0.00 175.17 174.40 1kz4 s ILE 56 N 1.50 3.40 0.25 0.77 1.01 -1.26 -0.18 121.20 126.69 1kz4 s ILE 56 Ca 0.12 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1kz4 s ILE 56 Cb -0.15 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1kz4 s ILE 56 CO 0.08 0.43 -0.05 -1.61 0.00 0.00 0.00 174.94 173.80 1kz4 s GLU 57 N 1.34 1.43 0.09 2.79 2.02 0.17 -4.98 118.70 121.56 1kz4 s GLU 57 Ca 0.04 -1.71 0.01 0.00 0.02 0.00 0.00 54.97 53.33 1kz4 s GLU 57 Cb -0.14 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1kz4 s GLU 57 CO -0.02 -0.00 -0.04 -1.54 0.02 0.00 0.00 175.26 173.68 1kz4 s SER 58 N -3.37 0.86 0.11 -0.19 1.04 -1.26 -1.14 113.70 109.76 1kz4 s SER 58 Ca 0.28 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1kz4 s SER 58 Cb 0.04 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1kz4 s SER 58 CO 0.10 -0.54 -0.04 0.68 0.98 0.00 0.00 173.24 174.41 1kz4 s VAL 59 N -3.76 0.61 0.09 5.02 -7.23 -0.58 -4.90 120.40 109.63 1kz4 s VAL 59 Ca 0.13 -1.93 -0.32 0.00 -1.81 0.00 0.00 61.98 58.04 1kz4 s VAL 59 Cb 0.06 -1.80 -0.15 0.00 0.56 0.00 0.00 36.38 35.06 1kz4 s VAL 59 CO -0.05 -0.76 1.51 -0.65 -0.31 0.00 0.00 175.10 174.84 1kz4 h PRO 60 N 2.91 -0.78 0.00 4.82 0.11 -1.96 -2.22 132.00 134.88 1kz4 h PRO 60 Ca -0.35 0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.28 1kz4 h PRO 60 Cb 1.18 0.18 -0.13 0.00 0.11 0.00 0.00 31.00 32.34 1kz4 h PRO 60 CO 0.64 -0.52 -0.48 0.41 -0.21 0.00 0.00 178.00 177.84 1kz4 n GLY 61 N -1.48 3.05 0.27 -0.55 0.00 -1.26 -2.90 105.19 102.31 1kz4 n GLY 61 Ca -0.09 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.02 1kz4 n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kz4 h SER 62 N 1.88 0.00 0.57 1.61 0.02 -1.92 -1.82 113.55 113.88 1kz4 h SER 62 Ca -0.28 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1kz4 h SER 62 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1kz4 h SER 62 CO 0.43 0.04 -0.12 0.22 -1.14 0.00 0.00 176.83 176.26 1kz4 h TYR 63 N 0.00 0.00 -0.01 3.45 5.03 -1.96 -2.34 116.97 121.14 1kz4 h TYR 63 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1kz4 h TYR 63 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1kz4 h TYR 63 CO 0.00 0.12 -0.28 0.39 -1.32 0.00 0.00 178.16 177.07 1kz4 n GLU 64 N -3.45 0.91 0.04 1.82 4.71 -0.69 -4.33 120.64 119.65 1kz4 n GLU 64 Ca -0.01 -0.57 -0.11 0.00 -0.01 0.00 0.00 57.16 56.46 1kz4 n GLU 64 Cb 0.28 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.18 1kz4 n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1kz4 h LEU 65 N 1.39 -0.69 -0.18 -4.62 4.07 -1.43 0.30 115.31 114.15 1kz4 h LEU 65 Ca 0.00 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1kz4 h LEU 65 Cb 0.54 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 1kz4 h LEU 65 CO 0.00 -0.29 0.11 -0.65 -1.08 0.00 0.00 178.44 176.52 1kz4 h PRO 66 N -0.34 0.25 -0.66 1.13 0.11 -1.78 -1.39 132.00 129.31 1kz4 h PRO 66 Ca 0.07 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1kz4 h PRO 66 Cb 0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1kz4 h PRO 66 CO -0.23 0.23 0.41 1.96 -0.21 0.00 0.00 178.00 180.16 1kz4 h GLN 67 N 0.20 0.79 -0.46 1.05 1.08 -1.73 -0.00 115.11 116.04 1kz4 h GLN 67 Ca 0.07 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 1kz4 h GLN 67 Cb 0.05 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1kz4 h GLN 67 CO -0.01 0.52 -0.22 0.78 -0.95 0.00 0.00 178.83 178.95 1kz4 h GLY 68 N 0.81 1.02 1.03 3.46 0.00 -0.31 -1.73 103.07 107.35 1kz4 h GLY 68 Ca 0.27 -0.90 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1kz4 h GLY 68 CO -0.10 0.82 -0.06 -2.22 0.00 0.00 0.00 176.54 174.97 1kz4 h ILE 69 N 0.81 1.27 -0.35 2.60 2.04 -0.95 -1.54 117.51 121.39 1kz4 h ILE 69 Ca 0.11 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1kz4 h ILE 69 Cb 0.78 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1kz4 h ILE 69 CO 0.07 0.41 0.20 -0.09 0.00 0.00 0.00 178.15 178.74 1kz4 h ARG 70 N 0.75 0.49 -0.58 2.37 2.43 -0.89 -1.09 114.38 117.86 1kz4 h ARG 70 Ca 0.13 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1kz4 h ARG 70 Cb 0.60 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1kz4 h ARG 70 CO 0.04 0.38 0.26 0.00 -1.51 0.00 0.00 179.97 179.14 1kz4 h ALA 71 N 1.07 0.75 -0.30 2.80 0.00 -1.21 -3.15 119.26 119.22 1kz4 h ALA 71 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1kz4 h ALA 71 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kz4 h ALA 71 CO -0.02 0.33 -0.05 0.77 0.00 0.00 0.00 179.25 180.29 1kz4 h SER 72 N 0.79 0.56 0.00 0.00 0.02 -0.96 -2.82 113.55 111.14 1kz4 h SER 72 Ca 0.20 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1kz4 h SER 72 Cb 0.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kz4 h SER 72 CO -0.02 0.78 0.00 2.30 -1.14 0.00 0.00 176.83 178.75 1kz4 n ILE 73 N -4.51 0.00 -0.01 3.27 -5.35 -0.44 -1.65 119.36 110.67 1kz4 n ILE 73 Ca -0.03 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1kz4 n ILE 73 Cb 0.30 -0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 37.39 1kz4 n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kz4 n ALA 74 N -0.97 1.95 -0.03 -1.28 0.00 -1.07 -4.38 120.51 114.74 1kz4 n ALA 74 Ca 0.12 -0.74 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 1kz4 n ALA 74 Cb 0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1kz4 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kz4 h ARG 75 N 0.00 0.17 -5.38 0.00 3.08 -1.29 -3.49 114.38 107.47 1kz4 h ARG 75 Ca -0.24 -0.29 -0.66 0.00 0.07 0.00 0.00 59.98 58.87 1kz4 h ARG 75 Cb 1.67 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.70 1kz4 h ARG 75 CO 0.04 1.14 -0.54 -0.80 -1.07 0.00 0.00 179.97 178.74 1kz4 s ASN 76 N -6.96 4.07 -0.22 7.04 0.01 -0.89 -5.13 114.94 112.86 1kz4 s ASN 76 Ca -0.23 -1.54 -0.04 0.00 -0.71 0.00 0.00 52.86 50.34 1kz4 s ASN 76 Cb 0.05 0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.91 1kz4 s ASN 76 CO 0.71 -0.72 -0.04 -0.89 -1.51 0.00 0.00 177.10 174.65 1kz4 s THR 77 N -2.82 3.47 0.13 1.60 2.01 -1.26 -4.58 115.64 114.18 1kz4 s THR 77 Ca 0.16 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.79 1kz4 s THR 77 Cb 0.04 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1kz4 s THR 77 CO 0.09 0.42 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.91 1kz4 s TYR 78 N 1.41 1.92 -0.17 4.92 2.02 -1.26 -4.89 117.35 121.30 1kz4 s TYR 78 Ca 0.05 -0.42 0.21 0.00 -0.37 0.00 0.00 57.07 56.55 1kz4 s TYR 78 Cb -0.14 -1.03 -0.10 0.00 -0.40 0.00 0.00 41.96 40.29 1kz4 s TYR 78 CO -0.02 0.27 0.87 -0.25 -1.57 0.00 0.00 175.55 174.85 1kz4 n ASP 79 N 0.84 0.65 -3.56 2.29 9.92 0.11 -4.96 116.55 121.85 1kz4 n ASP 79 Ca -0.18 0.26 -0.15 0.00 -0.53 0.00 0.00 54.79 54.20 1kz4 n ASP 79 Cb 0.54 0.75 -0.06 0.00 -0.64 0.00 0.00 41.12 41.71 1kz4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kz4 s ALA 80 N -3.32 -1.84 0.08 2.24 0.00 -1.23 -4.30 121.76 113.40 1kz4 s ALA 80 Ca -0.03 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.52 1kz4 s ALA 80 Cb 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1kz4 s ALA 80 CO 0.82 -0.34 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 1kz4 s VAL 81 N -0.92 1.56 -0.16 0.00 1.01 0.50 -2.18 120.40 120.21 1kz4 s VAL 81 Ca -0.06 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1kz4 s VAL 81 Cb -0.01 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1kz4 s VAL 81 CO 0.05 -0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.38 1kz4 s ILE 82 N -1.11 1.34 -0.42 2.22 1.01 -0.46 -0.01 121.20 123.77 1kz4 s ILE 82 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1kz4 s ILE 82 Cb -0.10 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1kz4 s ILE 82 CO 0.03 0.28 0.33 -0.83 0.00 0.00 0.00 174.94 174.76 1kz4 s GLY 83 N 1.56 2.00 -0.11 6.18 0.00 -0.73 -1.80 107.32 114.42 1kz4 s GLY 83 Ca 0.02 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 1kz4 s GLY 83 CO -0.09 0.97 0.00 -0.42 0.00 0.00 0.00 173.10 173.56 1kz4 s ILE 84 N 1.72 4.31 -0.11 0.90 1.01 -0.40 0.70 121.20 129.33 1kz4 s ILE 84 Ca 0.06 -0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 1kz4 s ILE 84 Cb -0.20 -2.84 0.12 0.00 0.01 0.00 0.00 42.46 39.56 1kz4 s ILE 84 CO 0.10 0.57 1.08 -0.83 0.00 0.00 0.00 174.94 175.86 1kz4 s GLY 85 N -0.54 -0.36 -0.09 6.18 0.00 -0.23 -1.97 107.32 110.31 1kz4 s GLY 85 Ca 0.09 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.16 1kz4 s GLY 85 CO 0.02 0.44 -0.11 0.14 0.00 0.00 0.00 173.10 173.59 1kz4 s VAL 86 N -2.70 1.15 -0.13 1.40 1.01 -1.26 -1.33 120.40 118.54 1kz4 s VAL 86 Ca 0.08 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1kz4 s VAL 86 Cb -0.01 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1kz4 s VAL 86 CO -0.06 0.37 -0.19 -0.76 0.00 0.00 0.00 175.10 174.46 1kz4 s LEU 87 N 1.09 2.35 -0.10 3.92 1.43 0.18 -4.94 118.68 122.61 1kz4 s LEU 87 Ca -0.06 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1kz4 s LEU 87 Cb -0.14 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1kz4 s LEU 87 CO -0.02 0.12 -0.23 -0.63 0.23 0.00 0.00 176.35 175.83 1kz4 s ILE 88 N 0.58 2.14 0.13 -0.59 1.01 -1.26 -0.86 121.20 122.35 1kz4 s ILE 88 Ca -0.11 -0.99 -0.35 0.00 0.00 0.00 0.00 60.65 59.20 1kz4 s ILE 88 Cb -0.16 -1.82 -0.15 0.00 0.01 0.00 0.00 42.46 40.33 1kz4 s ILE 88 CO 0.03 0.56 1.45 1.17 0.00 0.00 0.00 174.94 178.16 1kz4 n LYS 89 N 3.52 1.65 0.00 2.79 3.00 -0.39 -4.85 118.16 123.87 1kz4 n LYS 89 Ca -0.19 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1kz4 n LYS 89 Cb 0.53 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.26 1kz4 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kz4 n GLY 90 N 2.94 4.19 0.13 3.14 0.00 -1.26 -4.84 105.19 109.49 1kz4 n GLY 90 Ca 0.18 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.41 1kz4 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kz4 h SER 91 N 0.00 0.00 -3.81 1.61 0.02 -2.03 -3.48 113.55 105.87 1kz4 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kz4 h SER 91 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1kz4 h SER 91 CO 0.00 0.01 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 1kz4 n THR 92 N -2.75 0.00 1.10 -2.27 -2.24 -1.26 -5.02 114.28 101.85 1kz4 n THR 92 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1kz4 n THR 92 Cb 0.55 -0.83 0.35 0.00 -2.10 0.00 0.00 70.33 68.31 1kz4 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1kz4 n MET 93 N -0.82 1.90 -0.13 -0.78 0.00 -1.26 -4.41 117.12 111.63 1kz4 n MET 93 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 57.70 56.29 1kz4 n MET 93 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 33.22 31.78 1kz4 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1kz4 h HIS 94 N 2.83 -0.82 -0.30 2.03 -0.00 -1.97 -2.38 115.15 114.54 1kz4 h HIS 94 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1kz4 h HIS 94 Cb 0.61 0.42 -0.08 0.00 -0.00 0.00 0.00 27.41 28.37 1kz4 h HIS 94 CO 0.10 -0.36 -0.30 0.35 -0.00 0.00 0.00 177.93 177.72 1kz4 h PHE 95 N -0.22 -0.83 -0.32 5.26 3.57 -1.89 -1.83 116.94 120.68 1kz4 h PHE 95 Ca 0.18 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.80 1kz4 h PHE 95 Cb 0.52 0.41 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 1kz4 h PHE 95 CO -0.53 -0.37 -0.13 0.93 -2.23 0.00 0.00 178.31 175.98 1kz4 h GLU 96 N -0.28 -0.07 -0.04 1.11 3.07 -1.75 -2.05 114.58 114.58 1kz4 h GLU 96 Ca 0.15 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.84 1kz4 h GLU 96 Cb 0.52 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1kz4 h GLU 96 CO -0.46 -0.04 -0.73 1.88 -1.40 0.00 0.00 179.01 178.26 1kz4 h TYR 97 N -0.07 0.30 0.00 4.33 0.05 -1.01 -3.16 116.97 117.41 1kz4 h TYR 97 Ca 0.16 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 1kz4 h TYR 97 Cb 0.32 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1kz4 h TYR 97 CO -0.34 0.87 -1.13 -0.84 -1.05 0.00 0.00 178.16 175.67 1kz4 h ILE 98 N 0.14 0.26 0.27 -2.88 3.07 -1.33 -2.95 117.51 114.10 1kz4 h ILE 98 Ca -0.02 -1.49 -0.01 0.00 1.55 0.00 0.00 64.86 64.88 1kz4 h ILE 98 Cb 1.29 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 1kz4 h ILE 98 CO 0.11 0.15 -0.13 0.28 -1.05 0.00 0.00 178.15 177.51 1kz4 h SER 99 N 0.00 -0.31 -0.48 2.16 0.02 -1.44 0.59 113.55 114.09 1kz4 h SER 99 Ca -0.07 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1kz4 h SER 99 Cb 1.28 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 1kz4 h SER 99 CO 0.02 -0.21 0.31 -0.08 -1.14 0.00 0.00 176.83 175.72 1kz4 h GLU 100 N -0.38 0.60 -0.85 3.45 4.81 -1.65 -2.11 114.58 118.46 1kz4 h GLU 100 Ca -0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1kz4 h GLU 100 Cb 0.29 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1kz4 h GLU 100 CO 0.06 0.40 0.45 0.00 -0.73 0.00 0.00 179.01 179.19 1kz4 h ALA 101 N 1.19 1.09 -0.15 2.92 0.00 -1.30 -1.32 119.26 121.68 1kz4 h ALA 101 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1kz4 h ALA 101 Cb -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1kz4 h ALA 101 CO -0.05 0.61 -0.13 0.28 0.00 0.00 0.00 179.25 179.96 1kz4 h VAL 102 N 1.19 1.34 -0.83 0.00 2.07 -0.71 -0.67 116.25 118.64 1kz4 h VAL 102 Ca 0.30 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1kz4 h VAL 102 Cb 0.06 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1kz4 h VAL 102 CO -0.04 0.37 0.51 0.58 0.02 0.00 0.00 177.57 179.00 1kz4 h VAL 103 N -0.02 1.23 -0.01 2.57 2.07 -1.24 0.14 116.25 120.99 1kz4 h VAL 103 Ca 0.03 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 1kz4 h VAL 103 Cb 0.65 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1kz4 h VAL 103 CO 0.03 0.24 -0.66 -0.74 0.02 0.00 0.00 177.57 176.46 1kz4 h HIS 104 N 1.14 0.06 0.02 1.57 6.17 -1.26 -3.01 115.15 119.83 1kz4 h HIS 104 Ca 0.30 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.35 1kz4 h HIS 104 Cb -0.06 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 29.87 1kz4 h HIS 104 CO -0.00 0.69 -0.01 0.78 0.71 0.00 0.00 177.93 180.09 1kz4 h GLY 105 N 1.88 -0.02 0.73 5.26 0.00 0.21 -2.16 103.07 108.97 1kz4 h GLY 105 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1kz4 h GLY 105 CO 0.09 -0.01 -0.05 1.41 0.00 0.00 0.00 176.54 177.98 1kz4 h LEU 106 N -0.48 -0.17 -0.89 3.11 3.38 -0.85 -1.44 115.31 117.97 1kz4 h LEU 106 Ca -0.00 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1kz4 h LEU 106 Cb 0.46 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1kz4 h LEU 106 CO 0.00 -0.07 0.38 -0.03 0.09 0.00 0.00 178.44 178.81 1kz4 h MET 107 N -0.05 0.38 -0.05 1.13 4.05 -1.54 -0.89 114.93 117.96 1kz4 h MET 107 Ca 0.06 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1kz4 h MET 107 Cb 0.13 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1kz4 h MET 107 CO -0.13 0.25 0.00 -0.09 0.23 0.00 0.00 176.91 177.17 1kz4 h ARG 108 N 0.39 0.09 -0.69 0.39 2.43 -0.61 -2.52 114.38 113.86 1kz4 h ARG 108 Ca 0.55 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.81 1kz4 h ARG 108 Cb 1.05 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1kz4 h ARG 108 CO -0.53 0.37 0.46 0.28 -1.51 0.00 0.00 179.97 179.04 1kz4 h VAL 109 N -0.20 0.88 -0.04 0.20 2.07 -0.30 0.61 116.25 119.45 1kz4 h VAL 109 Ca 0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1kz4 h VAL 109 Cb 0.33 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1kz4 h VAL 109 CO 0.00 0.09 -0.01 1.23 0.02 0.00 0.00 177.57 178.90 1kz4 h GLY 110 N 0.49 0.09 2.00 2.17 0.00 -1.03 -2.14 103.07 104.65 1kz4 h GLY 110 Ca 0.33 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 1kz4 h GLY 110 CO -0.11 0.07 -0.47 1.41 0.00 0.00 0.00 176.54 177.44 1kz4 h LEU 111 N -0.27 0.00 -0.14 3.11 3.38 -0.95 0.16 115.31 120.58 1kz4 h LEU 111 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1kz4 h LEU 111 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1kz4 h LEU 111 CO 0.00 0.47 -0.71 0.44 0.09 0.00 0.00 178.44 178.74 1kz4 h ASP 112 N 0.00 0.87 0.75 -0.43 3.32 -0.88 -3.33 116.42 116.73 1kz4 h ASP 112 Ca -0.00 -0.63 -0.14 0.00 0.02 0.00 0.00 57.03 56.27 1kz4 h ASP 112 Cb 0.85 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1kz4 h ASP 112 CO 0.06 1.36 -1.34 -1.54 -1.72 0.00 0.00 179.24 176.06 1kz4 n SER 113 N -4.01 0.87 0.00 6.45 3.41 -0.81 -4.96 113.62 114.57 1kz4 n SER 113 Ca -0.08 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1kz4 n SER 113 Cb 0.71 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1kz4 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kz4 n GLY 114 N 1.36 0.77 3.76 5.00 0.00 0.03 -5.03 105.19 111.09 1kz4 n GLY 114 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1kz4 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kz4 s VAL 115 N -2.87 5.43 0.25 1.61 1.01 -1.18 -5.02 120.40 119.63 1kz4 s VAL 115 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 1kz4 s VAL 115 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 1kz4 s VAL 115 CO 0.00 0.48 1.66 -2.65 0.00 0.00 0.00 175.10 174.59 1kz4 n PRO 116 N 3.18 2.72 -4.01 2.72 -0.02 -1.26 -4.43 135.00 133.90 1kz4 n PRO 116 Ca -0.17 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 1kz4 n PRO 116 Cb 0.53 -2.79 -0.16 0.00 -0.02 0.00 0.00 33.50 31.06 1kz4 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kz4 s VAL 117 N 0.62 1.75 0.09 -1.45 1.01 -1.26 -0.37 120.40 120.79 1kz4 s VAL 117 Ca 0.70 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1kz4 s VAL 117 Cb -0.51 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 1kz4 s VAL 117 CO 0.40 0.14 0.79 -0.63 0.00 0.00 0.00 175.10 175.80 1kz4 s ILE 118 N 1.34 4.60 -0.75 2.22 -1.09 0.99 -4.95 121.20 123.57 1kz4 s ILE 118 Ca -0.02 1.69 -0.22 0.00 -2.23 0.00 0.00 60.65 59.87 1kz4 s ILE 118 Cb -0.17 -4.14 0.08 0.00 -1.58 0.00 0.00 42.46 36.65 1kz4 s ILE 118 CO -0.08 0.41 1.07 -0.22 -1.23 0.00 0.00 174.94 174.88 1kz4 s LEU 119 N -0.37 4.31 -0.63 2.97 2.96 -1.26 -1.77 118.68 124.89 1kz4 s LEU 119 Ca 0.38 -1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1kz4 s LEU 119 Cb -0.22 -2.44 0.43 0.00 0.50 0.00 0.00 46.19 44.46 1kz4 s LEU 119 CO 0.25 -1.42 2.04 0.61 -1.32 0.00 0.00 176.35 176.50 1kz4 n GLY 120 N 5.48 5.70 3.46 7.98 0.00 0.22 -4.91 105.19 123.12 1kz4 n GLY 120 Ca 0.05 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1kz4 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kz4 s LEU 121 N -3.63 3.88 -0.15 0.99 2.96 -1.21 -1.07 118.68 120.46 1kz4 s LEU 121 Ca 0.62 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 1kz4 s LEU 121 Cb 0.48 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1kz4 s LEU 121 CO -0.01 -0.13 0.29 -0.76 -1.32 0.00 0.00 176.35 174.43 1kz4 s LEU 122 N 1.63 4.25 -0.54 -0.68 1.43 -0.44 -4.97 118.68 119.37 1kz4 s LEU 122 Ca 0.05 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1kz4 s LEU 122 Cb -0.16 -2.38 0.14 0.00 0.03 0.00 0.00 46.19 43.82 1kz4 s LEU 122 CO 0.06 0.11 0.31 0.42 0.23 0.00 0.00 176.35 177.48 1kz4 s THR 123 N 0.39 2.26 0.49 5.49 -4.23 -1.26 -0.64 115.64 118.13 1kz4 s THR 123 Ca 0.17 -3.32 0.08 0.00 -1.18 0.00 0.00 61.69 57.44 1kz4 s THR 123 Cb -0.13 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1kz4 s THR 123 CO 0.04 -0.89 0.53 0.68 -0.54 0.00 0.00 174.62 174.44 1kz4 s VAL 124 N -0.38 2.36 -0.13 2.29 -7.23 -0.04 -5.00 120.40 112.27 1kz4 s VAL 124 Ca 0.20 -1.22 0.21 0.00 -1.81 0.00 0.00 61.98 59.35 1kz4 s VAL 124 Cb -0.19 -2.59 -0.19 0.00 0.56 0.00 0.00 36.38 33.97 1kz4 s VAL 124 CO -0.05 0.00 0.67 0.18 -0.31 0.00 0.00 175.10 175.59 1kz4 n LEU 125 N -1.83 0.43 -3.71 1.32 4.77 -1.26 -1.26 117.00 115.45 1kz4 n LEU 125 Ca 0.06 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1kz4 n LEU 125 Cb 0.62 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1kz4 n LEU 125 CO 0.40 0.04 0.40 0.54 -1.33 0.00 0.00 177.39 177.44 1kz4 s ASN 126 N -5.15 -0.35 0.17 -1.43 2.20 -1.26 -4.20 114.94 104.92 1kz4 s ASN 126 Ca -0.05 -0.41 -0.20 0.00 -0.94 0.00 0.00 52.86 51.26 1kz4 s ASN 126 Cb 0.11 0.66 0.09 0.00 -2.00 0.00 0.00 41.25 40.10 1kz4 s ASN 126 CO 0.84 -1.17 1.63 -0.33 -2.94 0.00 0.00 177.10 175.13 1kz4 h GLU 127 N 2.05 -0.14 -0.84 3.55 4.39 -1.97 -2.59 114.58 119.02 1kz4 h GLU 127 Ca -0.26 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.66 1kz4 h GLU 127 Cb 1.27 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.83 1kz4 h GLU 127 CO 0.31 -0.10 0.29 0.93 -1.16 0.00 0.00 179.01 179.28 1kz4 h GLU 128 N -0.15 0.31 -0.54 2.33 3.07 -1.99 -0.30 114.58 117.31 1kz4 h GLU 128 Ca 0.19 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.98 1kz4 h GLU 128 Cb 0.45 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1kz4 h GLU 128 CO -0.49 0.20 0.10 1.96 -1.40 0.00 0.00 179.01 179.39 1kz4 h GLN 129 N 0.32 0.84 -0.07 2.33 4.20 -1.89 -0.91 115.11 119.93 1kz4 h GLN 129 Ca 0.51 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1kz4 h GLN 129 Cb 0.96 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1kz4 h GLN 129 CO -0.55 0.77 -0.06 0.00 -0.67 0.00 0.00 178.83 178.32 1kz4 h ALA 130 N 1.31 0.09 -0.58 3.87 0.00 -1.07 -2.83 119.26 120.05 1kz4 h ALA 130 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kz4 h ALA 130 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1kz4 h ALA 130 CO 0.00 -0.11 0.36 -0.07 0.00 0.00 0.00 179.25 179.43 1kz4 h LEU 131 N -0.27 0.69 -1.31 0.00 3.38 -1.08 -2.19 115.31 114.53 1kz4 h LEU 131 Ca 0.01 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1kz4 h LEU 131 Cb 0.55 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1kz4 h LEU 131 CO 0.01 0.54 0.52 0.22 0.09 0.00 0.00 178.44 179.83 1kz4 h TYR 132 N 0.79 0.84 -0.02 1.13 3.20 -1.19 0.92 116.97 122.64 1kz4 h TYR 132 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1kz4 h TYR 132 Cb -0.03 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.96 1kz4 h TYR 132 CO -0.02 0.42 0.00 0.54 -1.64 0.00 0.00 178.16 177.46 1kz4 n ARG 133 N -4.49 1.22 -0.26 1.82 1.74 -0.86 -2.52 116.66 113.31 1kz4 n ARG 133 Ca 0.12 -0.33 0.09 0.00 -0.77 0.00 0.00 57.85 56.97 1kz4 n ARG 133 Cb 0.26 -1.44 0.23 0.00 -1.02 0.00 0.00 32.46 30.49 1kz4 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kz4 n ALA 134 N -0.55 2.31 -0.36 7.54 0.00 0.26 -1.59 120.51 128.11 1kz4 n ALA 134 Ca 0.20 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1kz4 n ALA 134 Cb 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1kz4 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kz4 n GLY 135 N 1.14 0.91 3.89 0.00 0.00 -1.05 -4.50 105.19 105.59 1kz4 n GLY 135 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1kz4 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kz4 s LEU 136 N 0.00 3.45 -1.51 0.99 1.43 -0.86 -4.00 118.68 118.17 1kz4 s LEU 136 Ca 0.00 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1kz4 s LEU 136 Cb 0.00 -4.07 0.06 0.00 0.03 0.00 0.00 46.19 42.22 1kz4 s LEU 136 CO 0.00 -0.72 0.66 0.59 0.23 0.00 0.00 176.35 177.11 1kz4 n ASN 137 N -2.46 -2.13 0.00 2.29 3.02 -1.26 -1.76 115.26 112.95 1kz4 n ASN 137 Ca 0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1kz4 n ASN 137 Cb 0.55 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 1kz4 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kz4 n GLY 138 N -1.72 0.75 3.97 7.41 0.00 -1.26 -4.97 105.19 109.37 1kz4 n GLY 138 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1kz4 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kz4 s GLY 139 N -2.00 1.78 -0.18 -0.02 0.00 -0.72 -5.07 107.32 101.11 1kz4 s GLY 139 Ca 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 44.72 43.12 1kz4 s GLY 139 CO 0.00 -0.82 0.05 -1.58 0.00 0.00 0.00 173.10 170.75 1kz4 s HIS 140 N -3.57 3.23 -0.25 1.90 5.65 -1.15 -4.31 115.29 116.79 1kz4 s HIS 140 Ca 0.72 0.03 -0.29 0.00 0.25 0.00 0.00 55.06 55.77 1kz4 s HIS 140 Cb -0.04 -2.07 -0.02 0.00 -1.18 0.00 0.00 32.58 29.28 1kz4 s HIS 140 CO 0.49 0.13 1.48 1.21 -0.65 0.00 0.00 174.74 177.41 1kz4 s ASN 141 N 0.38 6.51 0.36 9.88 3.84 -1.26 -3.55 114.94 131.11 1kz4 s ASN 141 Ca 0.02 1.46 0.27 0.00 0.21 0.00 0.00 52.86 54.82 1kz4 s ASN 141 Cb -0.13 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.91 1kz4 s ASN 141 CO 0.00 -1.17 1.77 0.45 -2.79 0.00 0.00 177.10 175.36 1kz4 h HIS 142 N 10.08 0.00 -0.03 0.43 3.86 -1.60 -2.92 115.15 124.97 1kz4 h HIS 142 Ca -0.30 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1kz4 h HIS 142 Cb 1.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1kz4 h HIS 142 CO 0.90 0.00 0.02 0.78 0.86 0.00 0.00 177.93 180.49 1kz4 h GLY 143 N 3.24 0.00 0.80 2.45 0.00 -1.81 -1.19 103.07 106.56 1kz4 h GLY 143 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1kz4 h GLY 143 CO 0.00 0.00 0.02 3.43 0.00 0.00 0.00 176.54 179.99 1kz4 h ASN 144 N 0.00 0.14 -0.80 0.19 -0.26 -1.65 -1.67 115.58 111.53 1kz4 h ASN 144 Ca 0.01 -0.24 0.01 0.00 -0.56 0.00 0.00 56.30 55.52 1kz4 h ASN 144 Cb 0.06 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1kz4 h ASN 144 CO -0.00 0.35 0.53 0.44 -1.06 0.00 0.00 177.43 177.69 1kz4 h ASP 145 N -0.08 0.91 -0.16 5.81 3.32 -1.40 -1.92 116.42 122.91 1kz4 h ASP 145 Ca 0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1kz4 h ASP 145 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1kz4 h ASP 145 CO 0.00 0.66 -0.08 -0.50 -1.72 0.00 0.00 179.24 177.60 1kz4 h TRP 146 N 1.08 0.52 -0.02 4.55 6.55 -1.21 -0.63 115.95 126.80 1kz4 h TRP 146 Ca 0.29 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 60.06 1kz4 h TRP 146 Cb -0.13 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.03 1kz4 h TRP 146 CO -0.02 0.57 0.01 0.78 -1.05 0.00 0.00 178.44 178.73 1kz4 h GLY 147 N 0.89 0.03 1.05 1.49 0.00 -0.56 -0.06 103.07 105.90 1kz4 h GLY 147 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1kz4 h GLY 147 CO 0.02 0.01 0.30 1.76 0.00 0.00 0.00 176.54 178.63 1kz4 h SER 148 N -0.09 1.09 -0.43 0.19 0.02 -1.16 -2.72 113.55 110.45 1kz4 h SER 148 Ca 0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1kz4 h SER 148 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1kz4 h SER 148 CO -0.00 0.97 0.22 0.00 -1.14 0.00 0.00 176.83 176.88 1kz4 h ALA 149 N 1.16 0.55 -0.80 3.77 0.00 -0.85 -2.32 119.26 120.76 1kz4 h ALA 149 Ca 0.26 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1kz4 h ALA 149 Cb 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1kz4 h ALA 149 CO -0.02 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.77 1kz4 h ALA 150 N 1.07 1.13 -0.26 0.00 0.00 -0.74 -0.76 119.26 119.70 1kz4 h ALA 150 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1kz4 h ALA 150 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kz4 h ALA 150 CO -0.02 0.09 0.06 0.28 0.00 0.00 0.00 179.25 179.66 1kz4 h VAL 151 N 0.77 1.21 0.19 0.00 2.07 -1.20 0.54 116.25 119.83 1kz4 h VAL 151 Ca 0.38 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1kz4 h VAL 151 Cb 0.33 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1kz4 h VAL 151 CO -0.24 0.22 -0.09 -0.08 0.02 0.00 0.00 177.57 177.41 1kz4 h GLU 152 N 0.24 -0.24 -0.34 1.57 4.81 -0.87 -0.98 114.58 118.76 1kz4 h GLU 152 Ca 0.08 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1kz4 h GLU 152 Cb 0.28 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1kz4 h GLU 152 CO 0.00 -0.14 -0.01 0.52 -0.73 0.00 0.00 179.01 178.65 1kz4 h MET 153 N -0.28 0.54 -0.39 1.92 2.86 -1.15 -0.39 114.93 118.04 1kz4 h MET 153 Ca -0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1kz4 h MET 153 Cb 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1kz4 h MET 153 CO 0.04 0.57 0.20 0.78 1.06 0.00 0.00 176.91 179.56 1kz4 h GLY 154 N 0.85 0.59 0.74 8.32 0.00 -0.50 -1.00 103.07 112.07 1kz4 h GLY 154 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1kz4 h GLY 154 CO 0.01 0.27 -0.07 1.41 0.00 0.00 0.00 176.54 178.16 1kz4 h LEU 155 N 0.49 0.32 -2.12 3.11 3.38 -0.85 -2.97 115.31 116.66 1kz4 h LEU 155 Ca 0.13 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1kz4 h LEU 155 Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1kz4 h LEU 155 CO -0.02 0.66 -0.05 0.11 0.09 0.00 0.00 178.44 179.24 1kz4 h LYS 156 N -0.03 0.00 0.00 1.13 1.57 -1.03 -1.07 116.57 117.14 1kz4 h LYS 156 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1kz4 h LYS 156 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1kz4 h LYS 156 CO 0.02 0.05 -0.45 0.00 -0.57 0.00 0.00 179.45 178.50 1kz4 h ALA 157 N 1.95 0.83 -3.00 3.86 0.00 -1.03 -3.39 119.26 118.49 1kz4 h ALA 157 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1kz4 h ALA 157 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kz4 h ALA 157 CO 0.01 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1kz4 n LEU 158 N -3.39 0.00 0.00 0.00 4.77 -0.45 -5.10 117.00 112.83 1kz4 n LEU 158 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1kz4 n LEU 158 Cb 0.61 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.83 1kz4 n LEU 158 CO 0.38 0.00 0.36 -1.22 -1.33 0.00 0.00 177.39 175.59