#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kz4 s LEU 13 N 0.00 4.49 -0.12 -2.67 1.43 -1.26 -5.06 118.68 115.49 1kz4 s LEU 13 Ca 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1kz4 s LEU 13 Cb 0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1kz4 s LEU 13 CO 0.00 -0.43 0.10 -0.54 0.23 0.00 0.00 176.35 175.71 1kz4 s LYS 14 N 2.16 3.38 -0.41 1.70 -0.14 -1.26 -4.46 119.74 120.71 1kz4 s LYS 14 Ca 0.14 -0.22 0.08 0.00 -1.36 0.00 0.00 55.97 54.60 1kz4 s LYS 14 Cb -0.16 -3.09 0.25 0.00 -1.68 0.00 0.00 37.83 33.14 1kz4 s LYS 14 CO 0.13 0.71 0.59 0.41 -0.76 0.00 0.00 175.35 176.42 1kz4 n GLY 15 N 2.19 2.38 0.23 -3.33 0.00 0.53 -4.97 105.19 102.22 1kz4 n GLY 15 Ca -0.19 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.71 1kz4 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kz4 h PRO 16 N 3.98 0.00 -0.45 1.61 0.13 -1.73 -3.00 132.00 132.53 1kz4 h PRO 16 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1kz4 h PRO 16 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1kz4 h PRO 16 CO 0.44 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 1kz4 n GLU 17 N -2.75 2.50 -2.86 0.86 1.02 -1.26 -4.39 120.64 113.76 1kz4 n GLU 17 Ca 0.01 -2.25 -0.37 0.00 -0.02 0.00 0.00 57.16 54.53 1kz4 n GLU 17 Cb 0.24 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.15 4.33 -0.24 -4.62 1.43 -1.13 -5.05 118.68 112.25 1kz4 s LEU 18 Ca 0.35 1.72 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1kz4 s LEU 18 Cb 0.20 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1kz4 s LEU 18 CO 0.26 -0.05 -0.09 -0.13 0.23 0.00 0.00 176.35 176.57 1kz4 s ARG 19 N -2.06 2.68 -0.03 1.70 0.52 -1.26 -4.74 118.95 115.77 1kz4 s ARG 19 Ca 0.49 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1kz4 s ARG 19 Cb -0.18 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1kz4 s ARG 19 CO 0.23 -0.43 -0.01 0.42 0.02 0.00 0.00 175.30 175.53 1kz4 s ILE 20 N 1.26 4.14 -0.07 1.52 -1.09 -0.50 -0.69 121.20 125.77 1kz4 s ILE 20 Ca -0.02 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1kz4 s ILE 20 Cb -0.17 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 1kz4 s ILE 20 CO -0.06 0.45 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.68 1kz4 s LEU 21 N -1.35 2.38 -0.15 2.97 2.96 -0.86 -1.17 118.68 123.47 1kz4 s LEU 21 Ca 0.18 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1kz4 s LEU 21 Cb -0.11 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1kz4 s LEU 21 CO 0.08 0.25 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.58 1kz4 s ILE 22 N -0.15 1.59 -0.14 6.68 1.01 0.57 -0.61 121.20 130.15 1kz4 s ILE 22 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1kz4 s ILE 22 Cb -0.14 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1kz4 s ILE 22 CO 0.04 0.46 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 1kz4 s VAL 23 N 1.48 2.35 0.05 2.92 1.01 -0.66 -0.00 120.40 127.55 1kz4 s VAL 23 Ca 0.05 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1kz4 s VAL 23 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1kz4 s VAL 23 CO -0.11 0.53 -0.13 -1.38 0.00 0.00 0.00 175.10 174.01 1kz4 s HIS 24 N 0.76 1.16 0.88 5.22 -3.43 -0.45 -0.81 115.29 118.62 1kz4 s HIS 24 Ca -0.07 -0.41 -0.12 0.00 -0.80 0.00 0.00 55.06 53.66 1kz4 s HIS 24 Cb -0.16 -0.67 0.12 0.00 -1.43 0.00 0.00 32.58 30.44 1kz4 s HIS 24 CO -0.00 0.04 1.13 0.00 -2.00 0.00 0.00 174.74 173.90 1kz4 s ALA 25 N -1.07 1.90 -0.71 -1.38 0.00 -0.54 -1.70 121.76 118.26 1kz4 s ALA 25 Ca -0.01 -0.44 0.12 0.00 0.00 0.00 0.00 51.96 51.63 1kz4 s ALA 25 Cb -0.09 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1kz4 s ALA 25 CO 0.02 -2.14 0.56 0.54 0.00 0.00 0.00 175.76 174.73 1kz4 n ARG 26 N -3.68 2.81 -2.28 0.00 1.74 -0.95 -4.79 116.66 109.51 1kz4 n ARG 26 Ca 0.07 -0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1kz4 n ARG 26 Cb 0.58 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 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 -1.95 3.33 -0.58 -1.55 -0.00 -1.24 -3.92 118.94 113.04 1kz4 s TRP 27 Ca 0.06 1.12 -0.00 0.00 -0.00 0.00 0.00 56.10 57.28 1kz4 s TRP 27 Cb 0.09 -3.56 0.00 0.00 -0.00 0.00 0.00 33.47 30.00 1kz4 s TRP 27 CO 0.43 -1.87 0.55 -1.71 -0.00 0.00 0.00 176.95 174.35 1kz4 n ASN 28 N 3.86 -6.54 0.19 5.86 4.05 -1.26 -4.65 115.26 116.78 1kz4 n ASN 28 Ca 0.10 -0.05 0.13 0.00 0.45 0.00 0.00 54.58 55.21 1kz4 n ASN 28 Cb 0.44 -4.37 0.39 0.00 1.23 0.00 0.00 39.78 37.47 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 0.36 0.00 -2.37 1.20 3.38 -1.95 -2.94 115.31 113.00 1kz4 h LEU 29 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1kz4 h LEU 29 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1kz4 h LEU 29 CO 0.23 0.00 0.03 1.56 0.09 0.00 0.00 178.44 180.36 1kz4 h GLN 30 N 0.00 0.00 0.00 1.13 7.50 -1.94 -2.24 115.11 119.55 1kz4 h GLN 30 Ca 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 1kz4 h GLN 30 Cb 0.73 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.20 1kz4 h GLN 30 CO 0.00 0.00 -2.32 0.00 -1.50 0.00 0.00 178.83 175.01 1kz4 n ALA 31 N -2.36 1.51 0.13 3.87 0.00 -1.19 -4.58 120.51 117.89 1kz4 n ALA 31 Ca -0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.26 1kz4 n ALA 31 Cb 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 0.49 -0.36 0.00 1.08 -1.33 -3.10 117.51 114.29 1kz4 h ILE 32 Ca -0.52 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1kz4 h ILE 32 Cb 1.85 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 36.01 1kz4 h ILE 32 CO -0.06 0.00 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.61 1kz4 h GLU 33 N -0.46 -0.36 -0.97 2.37 5.08 -1.66 -0.86 114.58 117.72 1kz4 h GLU 33 Ca 0.02 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 1kz4 h GLU 33 Cb 0.46 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1kz4 h GLU 33 CO -0.10 -0.24 0.61 -1.35 -1.00 0.00 0.00 179.01 176.93 1kz4 h PRO 34 N -0.37 0.69 -0.04 2.33 0.11 -1.80 0.64 132.00 133.56 1kz4 h PRO 34 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1kz4 h PRO 34 Cb 0.60 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1kz4 h PRO 34 CO -0.55 0.46 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.61 1kz4 h LEU 35 N 0.71 0.08 -0.67 2.35 3.38 -1.17 -0.13 115.31 119.85 1kz4 h LEU 35 Ca 0.52 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1kz4 h LEU 35 Cb 0.87 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1kz4 h LEU 35 CO -0.29 0.48 0.31 0.58 0.09 0.00 0.00 178.44 179.61 1kz4 h VAL 36 N -0.32 1.23 -0.12 1.22 2.07 -0.53 -1.59 116.25 118.21 1kz4 h VAL 36 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1kz4 h VAL 36 Cb 0.45 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1kz4 h VAL 36 CO 0.01 0.27 0.05 0.50 0.02 0.00 0.00 177.57 178.41 1kz4 h LYS 37 N 0.94 0.17 -0.84 1.57 3.64 -0.88 -1.65 116.57 119.52 1kz4 h LYS 37 Ca 0.23 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1kz4 h LYS 37 Cb 0.14 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1kz4 h LYS 37 CO -0.03 0.28 0.51 0.78 -2.27 0.00 0.00 179.45 178.73 1kz4 h GLY 38 N 0.03 1.22 0.89 5.01 0.00 -0.86 -0.28 103.07 109.08 1kz4 h GLY 38 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1kz4 h GLY 38 CO -0.00 0.48 -0.10 0.00 0.00 0.00 0.00 176.54 176.92 1kz4 h ALA 39 N 1.40 -0.28 -0.03 3.60 0.00 -1.08 -1.74 119.26 121.13 1kz4 h ALA 39 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kz4 h ALA 39 Cb -0.05 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1kz4 h ALA 39 CO -0.06 -0.60 0.02 0.28 0.00 0.00 0.00 179.25 178.89 1kz4 h VAL 40 N -0.39 1.02 -0.15 0.00 2.07 -1.01 -2.33 116.25 115.47 1kz4 h VAL 40 Ca -0.03 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1kz4 h VAL 40 Cb 0.30 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1kz4 h VAL 40 CO 0.05 0.02 -0.08 -0.33 0.02 0.00 0.00 177.57 177.25 1kz4 h GLU 41 N 0.02 -0.06 -0.79 1.57 5.08 -1.05 -1.52 114.58 117.83 1kz4 h GLU 41 Ca 0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1kz4 h GLU 41 Cb 0.01 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1kz4 h GLU 41 CO -0.00 -0.04 0.48 1.15 -1.00 0.00 0.00 179.01 179.59 1kz4 h THR 42 N -0.07 1.01 -0.60 1.13 2.02 -1.24 0.33 112.91 115.50 1kz4 h THR 42 Ca 0.08 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 1kz4 h THR 42 Cb 0.19 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1kz4 h THR 42 CO -0.19 0.16 0.05 0.24 0.37 0.00 0.00 175.52 176.15 1kz4 h MET 43 N 0.87 1.01 0.01 6.66 2.86 -1.00 0.03 114.93 125.37 1kz4 h MET 43 Ca 0.35 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1kz4 h MET 43 Cb 0.18 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1kz4 h MET 43 CO -0.18 0.96 -0.08 0.82 1.06 0.00 0.00 176.91 179.50 1kz4 h ILE 44 N 0.94 1.71 0.00 -1.22 2.04 -0.76 -1.60 117.51 118.62 1kz4 h ILE 44 Ca 0.18 -2.19 -0.09 0.00 1.00 0.00 0.00 64.86 63.76 1kz4 h ILE 44 Cb 0.47 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 1kz4 h ILE 44 CO 0.02 0.57 -0.45 -0.33 0.00 0.00 0.00 178.15 177.97 1kz4 h GLU 45 N -0.85 0.00 0.00 2.37 5.08 -0.41 -3.09 114.58 117.68 1kz4 h GLU 45 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1kz4 h GLU 45 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1kz4 h GLU 45 CO 0.02 0.45 -1.03 1.63 -1.00 0.00 0.00 179.01 179.08 1kz4 n LYS 46 N -3.38 1.63 -0.03 2.33 5.02 -0.01 -4.71 118.16 119.01 1kz4 n LYS 46 Ca 0.01 -0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1kz4 n LYS 46 Cb 0.62 -1.07 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 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 -1.57 0.00 -2.65 2.13 8.25 -1.01 -4.43 115.22 115.94 1kz4 n HIS 47 Ca -0.00 -0.49 -0.18 0.00 -0.26 0.00 0.00 57.72 56.79 1kz4 n HIS 47 Cb 0.17 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.57 -4.75 -4.74 0.41 10.43 -1.13 -0.34 116.55 115.86 1kz4 n ASP 48 Ca 0.03 -0.02 -0.41 0.00 2.57 0.00 0.00 54.79 56.97 1kz4 n ASP 48 Cb 0.37 -3.96 -0.05 0.00 1.84 0.00 0.00 41.12 39.32 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 -2.86 4.21 -0.03 2.53 1.01 -0.63 -3.30 120.40 121.33 1kz4 s VAL 49 Ca 0.10 2.02 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 1kz4 s VAL 49 Cb -0.05 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1kz4 s VAL 49 CO 0.13 0.40 0.91 -0.54 0.00 0.00 0.00 175.10 176.00 1kz4 s LYS 50 N -0.64 4.51 0.31 2.72 1.02 -1.26 -4.28 119.74 122.13 1kz4 s LYS 50 Ca 0.44 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.79 1kz4 s LYS 50 Cb -0.25 -3.47 0.86 0.00 -0.52 0.00 0.00 37.83 34.45 1kz4 s LYS 50 CO 0.32 -0.05 1.68 1.25 -0.92 0.00 0.00 175.35 177.63 1kz4 h LEU 51 N 6.93 0.39 0.00 3.17 6.46 -1.96 0.77 115.31 131.08 1kz4 h LEU 51 Ca -0.40 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1kz4 h LEU 51 Cb 1.21 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1kz4 h LEU 51 CO 0.76 -0.05 0.00 -1.84 -0.62 0.00 0.00 178.44 176.69 1kz4 n GLU 52 N -5.05 0.09 -0.27 1.25 0.00 -1.26 -2.51 120.64 112.89 1kz4 n GLU 52 Ca 0.26 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.69 1kz4 n GLU 52 Cb 0.78 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.99 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 -1.43 3.39 -4.30 -1.84 3.02 0.27 -4.84 115.26 109.52 1kz4 n ASN 53 Ca 0.06 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.28 1kz4 n ASN 53 Cb 0.19 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.30 3.42 -0.18 2.41 1.01 -1.04 -1.41 121.20 124.11 1kz4 s ILE 54 Ca 0.42 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1kz4 s ILE 54 Cb 0.23 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1kz4 s ILE 54 CO 0.30 0.33 0.06 -1.81 0.00 0.00 0.00 174.94 173.83 1kz4 s ASP 55 N 1.46 5.63 -0.19 3.58 -0.00 -0.31 -5.00 116.67 121.85 1kz4 s ASP 55 Ca 0.04 0.08 0.01 0.00 -0.00 0.00 0.00 52.55 52.69 1kz4 s ASP 55 Cb -0.15 -1.96 0.03 0.00 -0.00 0.00 0.00 42.92 40.83 1kz4 s ASP 55 CO -0.02 0.18 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.51 1kz4 s ILE 56 N 0.35 2.06 0.25 0.77 1.01 -1.26 -0.32 121.20 124.07 1kz4 s ILE 56 Ca 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1kz4 s ILE 56 Cb -0.12 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1kz4 s ILE 56 CO 0.00 0.45 -0.13 -1.61 0.00 0.00 0.00 174.94 173.65 1kz4 s GLU 57 N 1.27 1.50 0.10 2.79 2.02 1.00 -4.99 118.70 122.38 1kz4 s GLU 57 Ca 0.03 -1.70 0.02 0.00 0.02 0.00 0.00 54.97 53.34 1kz4 s GLU 57 Cb -0.14 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 1kz4 s GLU 57 CO -0.12 0.18 -0.07 -1.54 0.02 0.00 0.00 175.26 173.73 1kz4 s SER 58 N -3.41 1.17 0.19 -0.19 1.04 -1.26 -1.34 113.70 109.89 1kz4 s SER 58 Ca 0.27 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1kz4 s SER 58 Cb -0.00 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 1kz4 s SER 58 CO 0.11 -0.42 -0.03 0.68 0.98 0.00 0.00 173.24 174.55 1kz4 s VAL 59 N -3.31 0.99 0.07 5.02 -7.23 -0.69 -4.91 120.40 110.35 1kz4 s VAL 59 Ca 0.09 -2.03 -0.34 0.00 -1.81 0.00 0.00 61.98 57.90 1kz4 s VAL 59 Cb 0.03 -2.12 -0.19 0.00 0.56 0.00 0.00 36.38 34.66 1kz4 s VAL 59 CO -0.04 -0.50 1.61 -0.65 -0.31 0.00 0.00 175.10 175.21 1kz4 h PRO 60 N 2.63 -0.95 -4.96 4.82 0.11 -1.95 -2.52 132.00 129.19 1kz4 h PRO 60 Ca -0.37 0.06 -0.50 0.00 0.11 0.00 0.00 66.00 65.31 1kz4 h PRO 60 Cb 1.21 0.22 -0.13 0.00 0.11 0.00 0.00 31.00 32.40 1kz4 h PRO 60 CO 0.64 -0.63 -0.52 0.20 -0.21 0.00 0.00 178.00 177.48 1kz4 s GLY 61 N -2.07 2.39 0.49 -0.55 0.00 -1.26 -2.91 107.32 103.41 1kz4 s GLY 61 Ca -0.18 -1.62 0.16 0.00 0.00 0.00 0.00 44.72 43.08 1kz4 s GLY 61 CO 0.62 -1.66 2.09 1.76 0.00 0.00 0.00 173.10 175.91 1kz4 h SER 62 N 2.00 0.00 0.53 1.64 0.02 -1.93 -1.66 113.55 114.15 1kz4 h SER 62 Ca -0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1kz4 h SER 62 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1kz4 h SER 62 CO 0.49 0.07 -0.05 0.22 -1.14 0.00 0.00 176.83 176.42 1kz4 h TYR 63 N 0.00 0.00 -0.01 3.45 5.03 -1.96 -1.88 116.97 121.60 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 0.13 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.41 1kz4 h TYR 63 CO 0.00 0.05 -0.23 0.39 -1.32 0.00 0.00 178.16 177.05 1kz4 n GLU 64 N -3.27 1.09 0.05 1.82 4.71 -0.63 -4.36 120.64 120.06 1kz4 n GLU 64 Ca -0.01 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.16 56.34 1kz4 n GLU 64 Cb 0.23 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.13 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 1.69 -0.64 -0.64 -4.62 4.07 -1.38 0.55 115.31 114.34 1kz4 h LEU 65 Ca 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1kz4 h LEU 65 Cb 0.55 0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 1kz4 h LEU 65 CO 0.00 -0.28 0.30 -0.65 -1.08 0.00 0.00 178.44 176.73 1kz4 h PRO 66 N -0.33 0.93 -0.30 1.13 0.11 -1.78 -0.99 132.00 130.78 1kz4 h PRO 66 Ca 0.07 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1kz4 h PRO 66 Cb 0.42 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1kz4 h PRO 66 CO -0.21 0.75 -0.21 1.96 -0.21 0.00 0.00 178.00 180.08 1kz4 h GLN 67 N 0.89 0.55 -0.06 1.05 1.08 -1.71 -0.89 115.11 116.02 1kz4 h GLN 67 Ca 0.22 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 1kz4 h GLN 67 Cb 0.14 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1kz4 h GLN 67 CO -0.03 0.73 -0.63 0.78 -0.95 0.00 0.00 178.83 178.74 1kz4 h GLY 68 N 1.00 0.60 1.02 3.46 0.00 0.32 -2.88 103.07 106.59 1kz4 h GLY 68 Ca 0.08 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.43 1kz4 h GLY 68 CO 0.05 0.82 0.18 -2.22 0.00 0.00 0.00 176.54 175.36 1kz4 h ILE 69 N 0.13 1.25 -0.05 2.60 2.04 -1.12 -1.82 117.51 120.54 1kz4 h ILE 69 Ca -0.06 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1kz4 h ILE 69 Cb 1.29 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1kz4 h ILE 69 CO 0.13 0.33 0.00 -0.09 0.00 0.00 0.00 178.15 178.52 1kz4 h ARG 70 N 0.90 0.02 -0.93 2.37 2.43 -1.22 -1.66 114.38 116.29 1kz4 h ARG 70 Ca 0.20 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1kz4 h ARG 70 Cb 0.32 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1kz4 h ARG 70 CO -0.00 0.01 0.61 0.00 -1.51 0.00 0.00 179.97 179.08 1kz4 h ALA 71 N 1.04 1.21 -0.31 2.80 0.00 -1.39 -3.07 119.26 119.54 1kz4 h ALA 71 Ca 0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1kz4 h ALA 71 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1kz4 h ALA 71 CO -0.04 0.53 -0.26 0.77 0.00 0.00 0.00 179.25 180.25 1kz4 h SER 72 N 1.22 0.76 0.00 0.00 0.02 -1.01 -2.88 113.55 111.66 1kz4 h SER 72 Ca 0.36 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1kz4 h SER 72 Cb -0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1kz4 h SER 72 CO -0.10 1.06 0.00 2.30 -1.14 0.00 0.00 176.83 178.95 1kz4 n ILE 73 N -4.27 0.00 -0.02 3.27 -5.35 -0.65 -1.91 119.36 110.43 1kz4 n ILE 73 Ca -0.03 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.49 1kz4 n ILE 73 Cb 0.45 -0.40 -0.15 0.00 -1.74 0.00 0.00 39.64 37.81 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 -0.79 2.37 -0.04 -1.28 0.00 -1.09 -4.45 120.51 115.23 1kz4 n ALA 74 Ca 0.11 -0.71 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 1kz4 n ALA 74 Cb 0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1kz4 n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kz4 n ARG 75 N -2.47 0.70 -4.58 0.00 1.74 -0.80 -5.00 116.66 106.25 1kz4 n ARG 75 Ca -0.12 0.31 -0.26 0.00 -0.77 0.00 0.00 57.85 57.01 1kz4 n ARG 75 Cb 0.74 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1kz4 n ARG 75 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1kz4 s ASN 76 N -6.97 3.34 -0.23 0.55 0.01 -0.86 -5.13 114.94 105.65 1kz4 s ASN 76 Ca -0.26 -1.44 -0.06 0.00 -0.71 0.00 0.00 52.86 50.40 1kz4 s ASN 76 Cb 0.07 -0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.61 1kz4 s ASN 76 CO 0.71 -0.59 0.02 -0.89 -1.51 0.00 0.00 177.10 174.83 1kz4 s THR 77 N -2.96 3.91 0.20 1.60 2.01 -1.26 -4.52 115.64 114.62 1kz4 s THR 77 Ca 0.31 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.10 1kz4 s THR 77 Cb 0.08 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1kz4 s THR 77 CO 0.15 0.38 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.93 1kz4 s TYR 78 N 1.51 2.17 -0.10 4.92 2.02 -1.26 -4.89 117.35 121.71 1kz4 s TYR 78 Ca 0.06 -0.39 0.16 0.00 -0.37 0.00 0.00 57.07 56.53 1kz4 s TYR 78 Cb -0.15 -1.05 -0.20 0.00 -0.40 0.00 0.00 41.96 40.16 1kz4 s TYR 78 CO 0.01 0.49 0.60 -0.25 -1.57 0.00 0.00 175.55 174.83 1kz4 n ASP 79 N 0.13 0.66 -3.56 2.29 9.92 0.13 -4.97 116.55 121.15 1kz4 n ASP 79 Ca -0.11 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.32 1kz4 n ASP 79 Cb 0.57 0.33 -0.05 0.00 -0.64 0.00 0.00 41.12 41.33 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 -2.75 -1.30 0.05 2.24 0.00 -1.24 -4.28 121.76 114.47 1kz4 s ALA 80 Ca -0.05 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1kz4 s ALA 80 Cb 0.08 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1kz4 s ALA 80 CO 0.82 -0.56 -0.12 0.08 0.00 0.00 0.00 175.76 175.98 1kz4 s VAL 81 N -2.83 0.95 -0.11 0.00 1.01 0.22 -2.02 120.40 117.61 1kz4 s VAL 81 Ca -0.03 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1kz4 s VAL 81 Cb -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1kz4 s VAL 81 CO -0.05 -0.16 -0.14 -0.63 0.00 0.00 0.00 175.10 174.12 1kz4 s ILE 82 N -1.08 1.42 -0.34 2.22 1.01 0.22 0.49 121.20 125.14 1kz4 s ILE 82 Ca -0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1kz4 s ILE 82 Cb -0.09 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1kz4 s ILE 82 CO 0.01 0.43 0.18 -0.83 0.00 0.00 0.00 174.94 174.73 1kz4 s GLY 83 N 1.07 1.90 -0.10 6.18 0.00 -0.27 -1.65 107.32 114.45 1kz4 s GLY 83 Ca -0.05 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1kz4 s GLY 83 CO -0.02 0.77 -0.14 -0.42 0.00 0.00 0.00 173.10 173.29 1kz4 s ILE 84 N 1.59 3.06 0.02 0.90 1.01 0.01 0.14 121.20 127.93 1kz4 s ILE 84 Ca 0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 1kz4 s ILE 84 Cb -0.18 -2.25 0.10 0.00 0.01 0.00 0.00 42.46 40.14 1kz4 s ILE 84 CO 0.07 0.55 0.92 -0.83 0.00 0.00 0.00 174.94 175.65 1kz4 s GLY 85 N -0.09 -0.41 -0.10 6.18 0.00 -0.73 -1.46 107.32 110.71 1kz4 s GLY 85 Ca -0.02 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1kz4 s GLY 85 CO 0.04 0.27 -0.10 0.14 0.00 0.00 0.00 173.10 173.45 1kz4 s VAL 86 N -3.12 1.11 -0.10 1.40 1.01 -1.26 -1.32 120.40 118.12 1kz4 s VAL 86 Ca 0.07 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1kz4 s VAL 86 Cb -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1kz4 s VAL 86 CO -0.06 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.45 1kz4 s LEU 87 N 1.27 2.35 -0.08 3.92 1.43 0.49 -4.93 118.68 123.11 1kz4 s LEU 87 Ca -0.03 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1kz4 s LEU 87 Cb -0.14 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1kz4 s LEU 87 CO -0.04 0.19 -0.19 -0.63 0.23 0.00 0.00 176.35 175.92 1kz4 s ILE 88 N 0.15 1.66 0.21 -0.59 1.01 -1.26 -0.83 121.20 121.54 1kz4 s ILE 88 Ca -0.11 -0.79 -0.32 0.00 0.00 0.00 0.00 60.65 59.43 1kz4 s ILE 88 Cb -0.16 -1.45 -0.14 0.00 0.01 0.00 0.00 42.46 40.72 1kz4 s ILE 88 CO 0.06 0.47 1.32 1.17 0.00 0.00 0.00 174.94 177.97 1kz4 n LYS 89 N 3.60 1.69 0.00 2.79 3.00 -0.48 -4.83 118.16 123.93 1kz4 n LYS 89 Ca -0.20 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1kz4 n LYS 89 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.35 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 2.18 4.65 0.12 3.14 0.00 -1.26 -4.84 105.19 109.18 1kz4 n GLY 90 Ca 0.13 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.55 1.61 0.02 -2.02 -3.48 113.55 106.13 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 0.37 0.00 0.35 -1.14 0.00 0.00 176.83 176.41 1kz4 n THR 92 N -2.96 0.00 0.51 -2.27 -2.24 -1.26 -5.03 114.28 101.03 1kz4 n THR 92 Ca -0.03 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1kz4 n THR 92 Cb 0.71 -0.90 0.25 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.74 2.14 0.04 -0.78 0.00 -1.26 -4.44 117.12 112.08 1kz4 n MET 93 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 57.70 55.83 1kz4 n MET 93 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 33.22 31.77 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 3.02 -0.45 -0.17 2.03 -0.00 -1.96 -2.69 115.15 114.92 1kz4 h HIS 94 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1kz4 h HIS 94 Cb 0.68 0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 28.23 1kz4 h HIS 94 CO 0.29 -0.25 -0.37 0.35 -0.00 0.00 0.00 177.93 177.95 1kz4 h PHE 95 N -0.27 -1.04 -0.37 5.26 3.57 -1.88 -1.89 116.94 120.31 1kz4 h PHE 95 Ca 0.07 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1kz4 h PHE 95 Cb 0.36 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.49 1kz4 h PHE 95 CO -0.24 -0.43 -0.28 0.93 -2.23 0.00 0.00 178.31 176.05 1kz4 h GLU 96 N -0.42 -0.22 -0.28 1.11 3.07 -1.83 -2.09 114.58 113.92 1kz4 h GLU 96 Ca 0.10 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 1kz4 h GLU 96 Cb 0.58 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1kz4 h GLU 96 CO -0.40 -0.14 -0.53 1.88 -1.40 0.00 0.00 179.01 178.41 1kz4 h TYR 97 N -0.23 1.04 0.00 4.33 0.05 -1.18 -3.17 116.97 117.81 1kz4 h TYR 97 Ca 0.17 -0.37 -0.12 0.00 0.05 0.00 0.00 58.73 58.47 1kz4 h TYR 97 Cb 0.51 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1kz4 h TYR 97 CO -0.49 1.18 -0.60 -0.84 -1.05 0.00 0.00 178.16 176.36 1kz4 h ILE 98 N 0.64 0.99 -0.31 -2.88 3.07 -1.31 -2.63 117.51 115.08 1kz4 h ILE 98 Ca 0.02 -2.40 0.00 0.00 1.55 0.00 0.00 64.86 64.03 1kz4 h ILE 98 Cb 1.13 2.49 -0.02 0.00 -0.27 0.00 0.00 36.82 40.15 1kz4 h ILE 98 CO 0.12 0.56 0.20 0.28 -1.05 0.00 0.00 178.15 178.26 1kz4 h SER 99 N 0.00 0.34 -0.57 2.16 0.02 -1.43 0.93 113.55 115.00 1kz4 h SER 99 Ca -0.01 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1kz4 h SER 99 Cb 1.45 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1kz4 h SER 99 CO 0.07 0.25 0.11 -0.08 -1.14 0.00 0.00 176.83 176.05 1kz4 h GLU 100 N 0.41 0.93 -0.62 3.45 4.81 -1.57 -1.98 114.58 120.00 1kz4 h GLU 100 Ca 0.11 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1kz4 h GLU 100 Cb -0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1kz4 h GLU 100 CO -0.03 0.88 0.14 0.00 -0.73 0.00 0.00 179.01 179.27 1kz4 h ALA 101 N 1.01 0.82 -0.17 2.92 0.00 -1.06 -1.98 119.26 120.80 1kz4 h ALA 101 Ca 0.18 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1kz4 h ALA 101 Cb 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kz4 h ALA 101 CO 0.01 0.55 -0.23 0.28 0.00 0.00 0.00 179.25 179.85 1kz4 h VAL 102 N 0.92 1.34 -0.69 0.00 2.07 -0.73 0.18 116.25 119.35 1kz4 h VAL 102 Ca 0.19 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1kz4 h VAL 102 Cb 0.37 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1kz4 h VAL 102 CO 0.00 0.43 0.46 0.58 0.02 0.00 0.00 177.57 179.06 1kz4 h VAL 103 N 0.11 1.16 -0.13 2.57 2.07 -1.32 -0.03 116.25 120.68 1kz4 h VAL 103 Ca 0.02 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1kz4 h VAL 103 Cb 0.79 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1kz4 h VAL 103 CO 0.05 0.17 -0.53 -0.74 0.02 0.00 0.00 177.57 176.54 1kz4 h HIS 104 N 0.93 0.44 -0.29 1.57 6.17 -1.33 -2.88 115.15 119.76 1kz4 h HIS 104 Ca 0.26 -0.15 -0.12 0.00 0.71 0.00 0.00 60.37 61.07 1kz4 h HIS 104 Cb -0.09 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 29.75 1kz4 h HIS 104 CO -0.03 0.81 -0.30 0.78 0.71 0.00 0.00 177.93 179.91 1kz4 h GLY 105 N 1.27 0.77 0.86 5.26 0.00 -0.31 -1.72 103.07 109.19 1kz4 h GLY 105 Ca 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1kz4 h GLY 105 CO 0.09 0.72 0.03 1.41 0.00 0.00 0.00 176.54 178.79 1kz4 h LEU 106 N 0.45 0.40 -1.04 3.11 3.38 -1.08 -2.08 115.31 118.44 1kz4 h LEU 106 Ca 0.04 -0.27 0.20 0.00 0.09 0.00 0.00 57.88 57.94 1kz4 h LEU 106 Cb 0.87 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1kz4 h LEU 106 CO 0.07 0.57 0.61 -0.03 0.09 0.00 0.00 178.44 179.76 1kz4 h MET 107 N 0.21 0.71 0.14 1.13 4.05 -1.48 -1.06 114.93 118.62 1kz4 h MET 107 Ca 0.07 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1kz4 h MET 107 Cb 0.35 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1kz4 h MET 107 CO 0.01 0.47 -0.07 -0.09 0.23 0.00 0.00 176.91 177.45 1kz4 h ARG 108 N 0.73 -0.19 -0.95 0.39 2.43 -0.87 -2.60 114.38 113.32 1kz4 h ARG 108 Ca 0.58 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.92 1kz4 h ARG 108 Cb 0.95 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.46 1kz4 h ARG 108 CO -0.37 0.19 0.60 0.28 -1.51 0.00 0.00 179.97 179.16 1kz4 h VAL 109 N -0.61 0.80 -0.48 0.20 2.07 -0.78 0.17 116.25 117.61 1kz4 h VAL 109 Ca -0.02 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1kz4 h VAL 109 Cb 0.46 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1kz4 h VAL 109 CO 0.03 0.13 0.17 1.23 0.02 0.00 0.00 177.57 179.15 1kz4 h GLY 110 N 0.74 0.78 1.95 2.17 0.00 -1.13 -1.81 103.07 105.77 1kz4 h GLY 110 Ca 0.50 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1kz4 h GLY 110 CO -0.26 0.42 -0.82 1.41 0.00 0.00 0.00 176.54 177.29 1kz4 h LEU 111 N 0.63 0.06 -0.15 3.11 3.38 -0.78 -1.47 115.31 120.10 1kz4 h LEU 111 Ca 0.16 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1kz4 h LEU 111 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1kz4 h LEU 111 CO -0.01 0.85 -0.48 0.44 0.09 0.00 0.00 178.44 179.33 1kz4 h ASP 112 N 0.03 0.68 0.81 -0.43 3.32 -0.65 -3.32 116.42 116.86 1kz4 h ASP 112 Ca -0.02 -0.60 -0.24 0.00 0.02 0.00 0.00 57.03 56.19 1kz4 h ASP 112 Cb 1.44 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1kz4 h ASP 112 CO 0.11 1.17 -1.26 0.77 -1.72 0.00 0.00 179.24 178.31 1kz4 h SER 113 N 0.24 0.01 0.00 6.45 4.64 -1.41 -3.48 113.55 120.00 1kz4 h SER 113 Ca -0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1kz4 h SER 113 Cb 1.11 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1kz4 h SER 113 CO 0.10 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 1kz4 n GLY 114 N 1.43 0.75 3.70 -0.77 0.00 -0.56 -5.04 105.19 104.70 1kz4 n GLY 114 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.51 5.24 0.25 1.61 1.01 -1.19 -5.03 120.40 119.78 1kz4 s VAL 115 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 1kz4 s VAL 115 Cb 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 1kz4 s VAL 115 CO 0.00 0.44 1.66 -2.65 0.00 0.00 0.00 175.10 174.54 1kz4 n PRO 116 N 3.60 2.72 -4.01 2.72 -0.02 -1.26 -4.39 135.00 134.35 1kz4 n PRO 116 Ca -0.16 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 1kz4 n PRO 116 Cb 0.52 -2.79 -0.15 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 0.58 1.97 0.15 -1.45 1.01 -1.26 -0.61 120.40 120.78 1kz4 s VAL 117 Ca 0.70 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1kz4 s VAL 117 Cb -0.51 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 1kz4 s VAL 117 CO 0.40 -0.17 1.00 -0.63 0.00 0.00 0.00 175.10 175.71 1kz4 s ILE 118 N 1.17 4.25 -0.76 2.22 -1.09 0.18 -4.93 121.20 122.23 1kz4 s ILE 118 Ca -0.04 1.93 -0.22 0.00 -2.23 0.00 0.00 60.65 60.09 1kz4 s ILE 118 Cb -0.19 -4.23 0.08 0.00 -1.58 0.00 0.00 42.46 36.53 1kz4 s ILE 118 CO -0.07 0.33 1.08 -0.22 -1.23 0.00 0.00 174.94 174.83 1kz4 s LEU 119 N -0.26 4.29 -0.58 2.97 2.96 -1.26 -1.11 118.68 125.68 1kz4 s LEU 119 Ca 0.47 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1kz4 s LEU 119 Cb -0.26 -2.45 0.52 0.00 0.50 0.00 0.00 46.19 44.51 1kz4 s LEU 119 CO 0.32 -1.42 1.96 0.61 -1.32 0.00 0.00 176.35 176.50 1kz4 n GLY 120 N 5.51 5.47 3.63 7.98 0.00 0.38 -4.93 105.19 123.23 1kz4 n GLY 120 Ca 0.06 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.65 4.08 -0.18 0.99 2.96 -1.21 -1.78 118.68 119.88 1kz4 s LEU 121 Ca 0.62 0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 54.57 1kz4 s LEU 121 Cb 0.50 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1kz4 s LEU 121 CO 0.03 -0.01 0.08 -0.76 -1.32 0.00 0.00 176.35 174.38 1kz4 s LEU 122 N 1.39 3.96 -0.58 -0.68 1.43 -0.43 -4.96 118.68 118.80 1kz4 s LEU 122 Ca 0.09 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1kz4 s LEU 122 Cb -0.15 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.21 1kz4 s LEU 122 CO 0.07 0.19 0.34 0.42 0.23 0.00 0.00 176.35 177.61 1kz4 s THR 123 N 0.27 2.66 0.43 5.49 -4.23 -1.26 -0.38 115.64 118.61 1kz4 s THR 123 Ca 0.05 -3.64 0.08 0.00 -1.18 0.00 0.00 61.69 57.01 1kz4 s THR 123 Cb -0.12 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1kz4 s THR 123 CO -0.00 -0.87 0.50 0.68 -0.54 0.00 0.00 174.62 174.38 1kz4 s VAL 124 N -0.68 2.81 -0.16 2.29 -7.23 -0.01 -5.00 120.40 112.42 1kz4 s VAL 124 Ca 0.20 -1.14 0.20 0.00 -1.81 0.00 0.00 61.98 59.42 1kz4 s VAL 124 Cb -0.18 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.69 1kz4 s VAL 124 CO -0.06 0.00 0.84 0.18 -0.31 0.00 0.00 175.10 175.75 1kz4 n LEU 125 N -1.74 0.71 -3.76 1.32 4.77 -1.26 -1.38 117.00 115.66 1kz4 n LEU 125 Ca 0.06 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1kz4 n LEU 125 Cb 0.60 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1kz4 n LEU 125 CO 0.40 0.00 0.28 0.54 -1.33 0.00 0.00 177.39 177.28 1kz4 s ASN 126 N -5.43 -0.25 0.27 -1.43 2.20 -1.26 -4.16 114.94 104.88 1kz4 s ASN 126 Ca -0.03 -0.52 -0.01 0.00 -0.94 0.00 0.00 52.86 51.36 1kz4 s ASN 126 Cb 0.10 0.59 0.49 0.00 -2.00 0.00 0.00 41.25 40.42 1kz4 s ASN 126 CO 0.82 -1.07 1.83 -0.08 -2.94 0.00 0.00 177.10 175.65 1kz4 h GLU 127 N 2.19 0.91 -0.94 3.55 4.57 -1.97 -2.56 114.58 120.33 1kz4 h GLU 127 Ca -0.28 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 57.92 1kz4 h GLU 127 Cb 1.26 -0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 1kz4 h GLU 127 CO 0.36 0.60 0.59 0.93 -1.18 0.00 0.00 179.01 180.32 1kz4 h GLU 128 N 0.94 1.02 -0.20 1.92 3.07 -2.00 -1.19 114.58 118.14 1kz4 h GLU 128 Ca 0.46 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.17 1kz4 h GLU 128 Cb 0.42 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1kz4 h GLU 128 CO -0.25 0.68 -0.27 1.96 -1.40 0.00 0.00 179.01 179.73 1kz4 h GLN 129 N 1.05 0.38 0.12 2.33 4.20 -1.88 -1.83 115.11 119.48 1kz4 h GLN 129 Ca 0.42 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1kz4 h GLN 129 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1kz4 h GLN 129 CO -0.19 0.62 -0.06 0.00 -0.67 0.00 0.00 178.83 178.53 1kz4 h ALA 130 N 1.39 -0.16 -0.51 3.87 0.00 -1.20 -2.83 119.26 119.82 1kz4 h ALA 130 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kz4 h ALA 130 Cb 0.65 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1kz4 h ALA 130 CO 0.05 -0.44 0.31 -0.07 0.00 0.00 0.00 179.25 179.10 1kz4 h LEU 131 N -0.47 0.60 -0.79 0.00 3.38 -1.26 -2.58 115.31 114.19 1kz4 h LEU 131 Ca -0.02 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1kz4 h LEU 131 Cb 0.38 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 1kz4 h LEU 131 CO 0.03 0.47 0.37 0.22 0.09 0.00 0.00 178.44 179.62 1kz4 h TYR 132 N 0.68 0.64 -0.00 1.13 3.20 -1.35 0.25 116.97 121.52 1kz4 h TYR 132 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1kz4 h TYR 132 Cb -0.03 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1kz4 h TYR 132 CO -0.03 0.14 0.00 0.54 -1.64 0.00 0.00 178.16 177.17 1kz4 n ARG 133 N -4.92 1.01 -0.10 1.82 1.74 -1.00 -1.99 116.66 113.22 1kz4 n ARG 133 Ca 0.15 -0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.32 1kz4 n ARG 133 Cb 0.40 -1.41 0.14 0.00 -1.02 0.00 0.00 32.46 30.57 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 -0.90 2.42 -0.18 7.54 0.00 0.82 -1.79 120.51 128.42 1kz4 n ALA 134 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1kz4 n ALA 134 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.21 0.68 3.89 0.00 0.00 -0.84 -4.46 105.19 105.67 1kz4 n GLY 135 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 3.23 -1.50 0.99 1.43 -0.92 -3.86 118.68 118.06 1kz4 s LEU 136 Ca 0.00 1.06 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1kz4 s LEU 136 Cb 0.00 -3.96 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1kz4 s LEU 136 CO 0.00 -0.98 0.71 0.59 0.23 0.00 0.00 176.35 176.90 1kz4 n ASN 137 N -2.67 -2.42 0.00 2.29 3.02 -1.26 -1.68 115.26 112.54 1kz4 n ASN 137 Ca 0.05 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1kz4 n ASN 137 Cb 0.56 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 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 -1.69 0.53 3.98 7.41 0.00 -1.26 -4.97 105.19 109.18 1kz4 n GLY 138 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 1.76 -0.18 -0.02 0.00 -0.68 -5.07 107.32 101.13 1kz4 s GLY 139 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 44.72 43.04 1kz4 s GLY 139 CO 0.00 -0.98 0.04 -1.58 0.00 0.00 0.00 173.10 170.58 1kz4 s HIS 140 N -3.35 3.18 -0.31 1.90 5.65 -1.19 -4.35 115.29 116.83 1kz4 s HIS 140 Ca 0.69 -0.05 -0.29 0.00 0.25 0.00 0.00 55.06 55.65 1kz4 s HIS 140 Cb -0.05 -2.07 -0.01 0.00 -1.18 0.00 0.00 32.58 29.28 1kz4 s HIS 140 CO 0.47 0.07 1.55 1.21 -0.65 0.00 0.00 174.74 177.39 1kz4 s ASN 141 N 0.48 6.30 0.45 9.88 3.84 -1.26 -3.61 114.94 131.02 1kz4 s ASN 141 Ca 0.02 1.28 0.25 0.00 0.21 0.00 0.00 52.86 54.61 1kz4 s ASN 141 Cb -0.13 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 38.98 1kz4 s ASN 141 CO 0.01 -1.38 1.84 0.45 -2.79 0.00 0.00 177.10 175.23 1kz4 h HIS 142 N 10.98 0.00 -0.26 0.43 3.86 -1.65 -2.83 115.15 125.68 1kz4 h HIS 142 Ca -0.31 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.98 1kz4 h HIS 142 Cb 1.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1kz4 h HIS 142 CO 0.93 0.21 0.26 0.78 0.86 0.00 0.00 177.93 180.96 1kz4 h GLY 143 N 2.09 0.00 0.69 2.45 0.00 -1.81 0.65 103.07 107.14 1kz4 h GLY 143 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1kz4 h GLY 143 CO 0.03 0.00 -0.05 3.43 0.00 0.00 0.00 176.54 179.95 1kz4 h ASN 144 N 0.00 0.21 -0.94 0.19 -0.26 -1.65 -1.76 115.58 111.37 1kz4 h ASN 144 Ca 0.12 -0.42 0.01 0.00 -0.56 0.00 0.00 56.30 55.45 1kz4 h ASN 144 Cb 0.63 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 37.79 1kz4 h ASN 144 CO -0.00 0.59 0.61 0.44 -1.06 0.00 0.00 177.43 178.00 1kz4 h ASP 145 N -0.16 1.09 -0.22 5.81 3.32 -1.07 -1.79 116.42 123.40 1kz4 h ASP 145 Ca 0.02 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1kz4 h ASP 145 Cb 0.51 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1kz4 h ASP 145 CO 0.01 0.80 -0.04 -0.50 -1.72 0.00 0.00 179.24 177.79 1kz4 h TRP 146 N 1.28 0.58 -0.26 4.55 6.55 -1.16 -0.94 115.95 126.55 1kz4 h TRP 146 Ca 0.34 -0.07 -0.03 0.00 0.95 0.00 0.00 58.89 60.08 1kz4 h TRP 146 Cb -0.13 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.00 1kz4 h TRP 146 CO -0.00 0.60 0.03 0.78 -1.05 0.00 0.00 178.44 178.79 1kz4 h GLY 147 N 0.89 0.48 1.04 1.49 0.00 -0.48 -1.06 103.07 105.43 1kz4 h GLY 147 Ca 0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1kz4 h GLY 147 CO 0.02 0.30 0.13 1.76 0.00 0.00 0.00 176.54 178.75 1kz4 h SER 148 N 0.25 0.98 -0.74 0.19 0.02 -1.22 -2.50 113.55 110.53 1kz4 h SER 148 Ca 0.08 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1kz4 h SER 148 Cb 0.35 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1kz4 h SER 148 CO 0.01 0.97 0.46 0.00 -1.14 0.00 0.00 176.83 177.13 1kz4 h ALA 149 N 1.04 0.94 -0.60 3.77 0.00 -0.98 -1.47 119.26 121.95 1kz4 h ALA 149 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1kz4 h ALA 149 Cb 0.39 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1kz4 h ALA 149 CO 0.01 0.38 0.29 0.00 0.00 0.00 0.00 179.25 179.93 1kz4 h ALA 150 N 1.25 0.78 0.13 0.00 0.00 -0.99 -1.40 119.26 119.02 1kz4 h ALA 150 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1kz4 h ALA 150 Cb -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1kz4 h ALA 150 CO -0.05 0.34 -0.06 0.28 0.00 0.00 0.00 179.25 179.75 1kz4 h VAL 151 N 0.82 0.88 -0.26 0.00 2.07 -1.00 0.11 116.25 118.87 1kz4 h VAL 151 Ca 0.21 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1kz4 h VAL 151 Cb 0.12 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1kz4 h VAL 151 CO -0.03 0.01 0.01 -0.08 0.02 0.00 0.00 177.57 177.51 1kz4 h GLU 152 N -0.20 0.09 -0.27 1.57 4.81 -1.09 -0.78 114.58 118.70 1kz4 h GLU 152 Ca -0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1kz4 h GLU 152 Cb 0.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1kz4 h GLU 152 CO 0.03 0.06 -0.16 0.52 -0.73 0.00 0.00 179.01 178.73 1kz4 h MET 153 N 0.09 0.48 -0.51 1.92 2.86 -1.18 -1.10 114.93 117.49 1kz4 h MET 153 Ca 0.12 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1kz4 h MET 153 Cb 0.15 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1kz4 h MET 153 CO -0.20 0.63 0.27 0.78 1.06 0.00 0.00 176.91 179.45 1kz4 h GLY 154 N 0.95 0.77 0.83 8.32 0.00 0.04 -1.60 103.07 112.38 1kz4 h GLY 154 Ca 0.08 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1kz4 h GLY 154 CO 0.03 0.35 -0.28 1.41 0.00 0.00 0.00 176.54 178.06 1kz4 h LEU 155 N 0.68 0.54 -1.80 3.11 3.38 -0.86 -3.13 115.31 117.22 1kz4 h LEU 155 Ca 0.18 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1kz4 h LEU 155 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1kz4 h LEU 155 CO -0.03 0.96 -0.14 0.11 0.09 0.00 0.00 178.44 179.44 1kz4 h LYS 156 N 0.13 0.00 0.00 1.13 1.57 -1.16 0.14 116.57 118.38 1kz4 h LYS 156 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1kz4 h LYS 156 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1kz4 h LYS 156 CO 0.06 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1kz4 n ALA 157 N -2.29 2.40 -0.34 3.86 0.00 -0.61 -5.09 120.51 118.44 1kz4 n ALA 157 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1kz4 n ALA 157 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1kz4 n ALA 157 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39