#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx7 s ASP -2 N 0.00 -0.09 -0.08 0.00 -4.77 -1.26 -5.08 116.67 105.39 1kx7 s ASP -2 Ca 0.00 0.09 0.19 0.00 -3.30 0.00 0.00 52.55 49.53 1kx7 s ASP -2 Cb 0.00 1.09 0.36 0.00 -1.09 0.00 0.00 42.92 43.27 1kx7 s ASP -2 CO 0.00 -0.02 1.15 0.00 0.70 0.00 0.00 175.17 177.01 1kx7 n LEU -1 N 5.02 0.50 -0.03 2.11 -0.00 -1.26 -4.60 117.00 118.73 1kx7 n LEU -1 Ca -0.08 -2.31 0.00 0.00 -0.00 0.00 0.00 56.01 53.63 1kx7 n LEU -1 Cb 0.55 0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.94 1kx7 n LEU -1 CO -0.10 0.92 -0.78 0.00 -0.00 0.00 0.00 177.39 177.43 1kx7 n GLN 1 N 0.00 0.66 -3.70 1.47 3.00 -1.26 -4.87 117.38 112.68 1kx7 n GLN 1 Ca -0.03 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.78 1kx7 n GLN 1 Cb 0.96 -1.60 -0.16 0.00 0.00 0.00 0.00 30.24 29.44 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1kx7 s ASP 2 N -5.23 0.63 0.38 1.08 -1.08 -1.26 -5.03 116.67 106.16 1kx7 s ASP 2 Ca -0.07 0.19 0.11 0.00 -0.52 0.00 0.00 52.55 52.26 1kx7 s ASP 2 Cb 0.09 0.05 0.91 0.00 -1.46 0.00 0.00 42.92 42.52 1kx7 s ASP 2 CO 0.85 -0.21 1.89 0.00 0.52 0.00 0.00 175.17 178.22 1kx7 h ALA 3 N 8.02 1.94 -0.30 3.66 0.00 -1.89 0.17 119.26 130.86 1kx7 h ALA 3 Ca -0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1kx7 h ALA 3 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1kx7 h ALA 3 CO 0.25 -0.17 0.16 1.49 0.00 0.00 0.00 179.25 180.98 1kx7 h GLU 4 N 0.59 0.33 -0.22 0.00 4.81 -1.93 -1.46 114.58 116.70 1kx7 h GLU 4 Ca 0.42 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1kx7 h GLU 4 Cb 0.78 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1kx7 h GLU 4 CO -0.17 0.22 -0.29 0.00 -0.73 0.00 0.00 179.01 178.03 1kx7 h ALA 5 N 1.14 1.08 0.13 2.92 0.00 -1.42 0.18 119.26 123.29 1kx7 h ALA 5 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1kx7 h ALA 5 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1kx7 h ALA 5 CO -0.07 0.57 -0.06 0.82 0.00 0.00 0.00 179.25 180.51 1kx7 h ILE 6 N 0.39 0.99 -0.32 0.00 2.04 -0.55 0.22 117.51 120.27 1kx7 h ILE 6 Ca 0.05 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 1kx7 h ILE 6 Cb 0.72 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1kx7 h ILE 6 CO 0.05 0.11 -0.26 0.10 0.00 0.00 0.00 178.15 178.16 1kx7 h TYR 7 N -0.39 0.88 0.00 1.37 -0.00 -1.04 0.49 116.97 118.28 1kx7 h TYR 7 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 58.73 58.44 1kx7 h TYR 7 Cb 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 36.85 1kx7 h TYR 7 CO -0.00 1.00 -0.11 -0.97 -0.00 0.00 0.00 178.16 178.08 1kx7 h ASN 8 N 0.51 0.00 0.29 0.10 -1.24 -0.58 0.22 115.58 114.89 1kx7 h ASN 8 Ca 0.06 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.78 1kx7 h ASN 8 Cb 0.82 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.82 1kx7 h ASN 8 CO 0.07 0.11 -1.96 1.17 -1.29 0.00 0.00 177.43 175.53 1kx7 n LYS 9 N -3.32 0.66 -0.02 6.67 4.81 0.76 -4.69 118.16 123.02 1kx7 n LYS 9 Ca -0.00 0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1kx7 n LYS 9 Cb 0.32 -1.67 -0.01 0.00 0.02 0.00 0.00 35.03 33.69 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kx7 n ALA 10 N -2.59 1.48 -0.58 3.14 0.00 0.16 -4.67 120.51 117.44 1kx7 n ALA 10 Ca -0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 53.44 52.86 1kx7 n ALA 10 Cb 1.04 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 1kx7 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kx7 n THR 12 N 2.01 0.00 -0.12 0.00 5.66 -1.18 -3.95 114.28 116.70 1kx7 n THR 12 Ca 0.15 -0.25 -0.25 0.00 -3.05 0.00 0.00 64.05 60.64 1kx7 n THR 12 Cb 0.55 1.18 -0.11 0.00 -1.55 0.00 0.00 70.33 70.40 1kx7 n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1kx7 n VAL 13 N -0.32 1.55 -0.05 1.08 0.31 -1.25 -4.36 118.33 115.28 1kx7 n VAL 13 Ca 0.00 -0.39 -0.03 0.00 -0.01 0.00 0.00 64.34 63.91 1kx7 n VAL 13 Cb 0.05 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1kx7 n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kx7 h HIS 15 N -0.63 0.00 0.22 0.00 3.86 -1.83 0.29 115.15 117.06 1kx7 h HIS 15 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kx7 h HIS 15 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1kx7 h HIS 15 CO -0.16 0.06 -0.20 1.03 0.86 0.00 0.00 177.93 179.52 1kx7 h SER 16 N 0.00 -0.52 0.00 2.45 0.87 -1.76 -1.96 113.55 112.63 1kx7 h SER 16 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1kx7 h SER 16 Cb 0.73 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1kx7 h SER 16 CO 0.01 -0.30 -0.83 0.80 -0.53 0.00 0.00 176.83 175.98 1kx7 n MET 17 N -5.32 2.35 -1.79 2.24 1.56 -1.20 -4.75 117.12 110.21 1kx7 n MET 17 Ca -0.08 -0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1kx7 n MET 17 Cb 0.24 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 34.49 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1kx7 n GLY 18 N 1.43 0.93 3.85 -5.12 0.00 0.77 -5.06 105.19 101.98 1kx7 n GLY 18 Ca 0.01 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1kx7 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kx7 s VAL 19 N -2.71 4.58 -1.68 1.61 1.01 0.33 -3.78 120.40 119.76 1kx7 s VAL 19 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1kx7 s VAL 19 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1kx7 s VAL 19 CO 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 175.10 174.29 1kx7 n ALA 20 N -1.88 -0.32 -1.15 5.51 0.00 -1.26 -0.97 120.51 120.43 1kx7 n ALA 20 Ca 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 1kx7 n ALA 20 Cb 0.54 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1kx7 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kx7 n GLY 21 N -0.40 0.61 3.77 0.00 0.00 -1.25 -4.98 105.19 102.94 1kx7 n GLY 21 Ca -0.17 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1kx7 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kx7 s ALA 22 N -2.12 3.31 0.10 4.61 0.00 -0.15 -5.01 121.76 122.50 1kx7 s ALA 22 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1kx7 s ALA 22 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1kx7 s ALA 22 CO 0.00 -0.23 1.10 -1.25 0.00 0.00 0.00 175.76 175.38 1kx7 s PRO 23 N -1.78 4.54 0.44 0.00 0.04 -1.26 -4.39 135.00 132.59 1kx7 s PRO 23 Ca 0.49 1.66 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 1kx7 s PRO 23 Cb -0.30 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.81 1kx7 s PRO 23 CO 0.38 -0.05 1.41 0.15 0.04 0.00 0.00 177.00 178.93 1kx7 s LYS 24 N 0.39 3.73 0.45 4.56 1.02 -1.26 -4.76 119.74 123.89 1kx7 s LYS 24 Ca 0.53 2.38 0.23 0.00 0.02 0.00 0.00 55.97 59.12 1kx7 s LYS 24 Cb -0.27 -2.67 1.23 0.00 -0.52 0.00 0.00 37.83 35.59 1kx7 s LYS 24 CO 0.31 -0.76 1.84 0.77 -0.92 0.00 0.00 175.35 176.59 1kx7 h SER 25 N 2.39 0.28 -3.25 2.83 0.02 -1.64 -3.31 113.55 110.85 1kx7 h SER 25 Ca -0.51 0.04 -0.59 0.00 -0.84 0.00 0.00 61.79 59.89 1kx7 h SER 25 Cb 1.26 -0.01 -0.37 0.00 0.14 0.00 0.00 62.40 63.42 1kx7 h SER 25 CO 0.61 0.09 -0.82 -1.38 -1.14 0.00 0.00 176.83 174.20 1kx7 s HIS 26 N -5.29 2.11 0.16 3.45 0.00 -1.26 -4.72 115.29 109.74 1kx7 s HIS 26 Ca -0.07 -1.27 -0.14 0.00 -3.00 0.00 0.00 55.06 50.58 1kx7 s HIS 26 Cb 0.23 -1.53 0.01 0.00 -4.00 0.00 0.00 32.58 27.29 1kx7 s HIS 26 CO 0.78 -0.67 0.39 -0.80 -1.00 0.00 0.00 174.74 173.45 1kx7 s ASN 27 N 1.50 -0.12 -0.12 7.38 0.01 -1.25 -5.09 114.94 117.26 1kx7 s ASN 27 Ca 0.02 -0.59 0.04 0.00 -0.71 0.00 0.00 52.86 51.62 1kx7 s ASN 27 Cb -0.14 0.49 -0.10 0.00 0.41 0.00 0.00 41.25 41.91 1kx7 s ASN 27 CO -0.09 -0.93 -0.06 0.41 -1.51 0.00 0.00 177.10 174.91 1kx7 n THR 28 N -0.25 0.72 0.21 1.60 -1.04 -1.26 -4.48 114.28 109.78 1kx7 n THR 28 Ca -0.11 -0.33 0.12 0.00 -2.04 0.00 0.00 64.05 61.69 1kx7 n THR 28 Cb 0.63 -0.88 0.12 0.00 -1.82 0.00 0.00 70.33 68.38 1kx7 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kx7 h ALA 29 N 0.17 0.80 0.09 2.41 0.00 -1.99 0.09 119.26 120.82 1kx7 h ALA 29 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1kx7 h ALA 29 Cb 1.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1kx7 h ALA 29 CO -0.02 0.00 -1.39 0.22 0.00 0.00 0.00 179.25 178.06 1kx7 h ASP 30 N 0.00 0.30 0.21 0.00 1.82 -1.97 -3.36 116.42 113.41 1kx7 h ASP 30 Ca 0.00 -0.38 -0.32 0.00 -0.39 0.00 0.00 57.03 55.94 1kx7 h ASP 30 Cb 0.98 -0.10 0.03 0.00 0.68 0.00 0.00 39.33 40.92 1kx7 h ASP 30 CO 0.00 1.31 -1.50 -0.50 -1.61 0.00 0.00 179.24 176.94 1kx7 h TRP 31 N 0.05 0.82 -0.96 0.28 4.06 -1.77 -3.39 115.95 115.04 1kx7 h TRP 31 Ca -0.18 -0.60 0.09 0.00 2.06 0.00 0.00 58.89 60.25 1kx7 h TRP 31 Cb 1.96 -0.03 -0.12 0.00 -1.00 0.00 0.00 29.16 29.98 1kx7 h TRP 31 CO 0.05 1.58 -0.57 0.39 -3.56 0.00 0.00 178.44 176.33 1kx7 n GLU 32 N -3.73 -0.42 0.00 0.49 1.02 0.01 -0.82 120.64 117.18 1kx7 n GLU 32 Ca -0.20 1.47 0.04 0.00 -0.02 0.00 0.00 57.16 58.44 1kx7 n GLU 32 Cb 1.05 -2.16 0.17 0.00 -0.02 0.00 0.00 31.44 30.49 1kx7 n GLU 32 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1kx7 n PRO 33 N -5.19 0.04 -0.11 3.49 -0.04 -1.26 -1.61 135.00 130.32 1kx7 n PRO 33 Ca 0.02 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1kx7 n PRO 33 Cb 0.25 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.13 1kx7 n PRO 33 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kx7 n ARG 34 N -1.42 0.55 0.30 0.54 3.00 -0.01 -4.43 116.66 115.20 1kx7 n ARG 34 Ca 0.02 0.38 0.15 0.00 -0.01 0.00 0.00 57.85 58.39 1kx7 n ARG 34 Cb 0.08 -1.58 0.79 0.00 0.00 0.00 0.00 32.46 31.75 1kx7 n ARG 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1kx7 h LEU 35 N -1.00 0.00 0.07 0.55 6.46 -0.59 -0.37 115.31 120.44 1kx7 h LEU 35 Ca -0.37 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.14 1kx7 h LEU 35 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1kx7 h LEU 35 CO -0.22 0.00 -1.18 0.00 -0.62 0.00 0.00 178.44 176.42 1kx7 h ALA 36 N 1.45 0.23 0.07 1.25 0.00 -1.52 -3.30 119.26 117.44 1kx7 h ALA 36 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 54.91 53.81 1kx7 h ALA 36 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kx7 h ALA 36 CO 0.00 1.12 -0.86 0.87 0.00 0.00 0.00 179.25 180.38 1kx7 h LYS 37 N 0.04 0.15 0.00 0.00 6.56 -1.32 -3.51 116.57 118.49 1kx7 h LYS 37 Ca -0.10 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1kx7 h LYS 37 Cb 1.89 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 1kx7 h LYS 37 CO 0.17 1.12 0.00 0.41 -2.06 0.00 0.00 179.45 179.09 1kx7 n GLY 38 N 1.64 -0.59 1.74 3.86 0.00 -0.62 -5.03 105.19 106.19 1kx7 n GLY 38 Ca -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1kx7 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kx7 n VAL 39 N 2.05 0.21 -0.09 1.61 0.31 -1.26 -3.54 118.33 117.61 1kx7 n VAL 39 Ca 0.00 0.07 0.25 0.00 -0.01 0.00 0.00 64.34 64.65 1kx7 n VAL 39 Cb 0.00 -0.78 0.71 0.00 -0.91 0.00 0.00 33.84 32.86 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kx7 h ASP 40 N 0.00 0.00 -0.01 4.52 5.19 -1.95 -0.39 116.42 123.79 1kx7 h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kx7 h ASP 40 Cb 0.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 1kx7 h ASP 40 CO 0.00 0.00 0.20 0.78 -3.12 0.00 0.00 179.24 177.10 1kx7 h ASN 41 N 0.00 0.00 0.00 6.45 2.35 -1.94 -2.42 115.58 120.02 1kx7 h ASN 41 Ca 0.34 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.74 1kx7 h ASN 41 Cb 1.39 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.70 1kx7 h ASN 41 CO -0.00 0.00 -2.27 0.18 -1.65 0.00 0.00 177.43 173.68 1kx7 n LEU 42 N -2.98 2.51 -0.18 1.61 7.99 -0.16 -3.94 117.00 121.86 1kx7 n LEU 42 Ca -0.02 0.02 0.17 0.00 -0.01 0.00 0.00 56.01 56.17 1kx7 n LEU 42 Cb 0.26 -0.74 0.52 0.00 -0.11 0.00 0.00 43.42 43.35 1kx7 n LEU 42 CO 0.16 0.74 1.21 1.62 -1.51 0.00 0.00 177.39 179.61 1kx7 h VAL 43 N -0.30 0.76 -0.18 4.08 3.04 -1.57 0.17 116.25 122.25 1kx7 h VAL 43 Ca -0.53 -0.13 0.01 0.00 -1.01 0.00 0.00 66.70 65.04 1kx7 h VAL 43 Cb 1.68 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1kx7 h VAL 43 CO -0.18 0.07 0.09 0.07 -1.01 0.00 0.00 177.57 176.61 1kx7 h LYS 44 N 0.38 0.19 -0.43 4.17 2.10 -1.62 -1.42 116.57 119.94 1kx7 h LYS 44 Ca 0.39 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.99 1kx7 h LYS 44 Cb 0.96 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.23 1kx7 h LYS 44 CO -0.12 0.12 0.12 0.77 -2.00 0.00 0.00 179.45 178.34 1kx7 h SER 45 N 0.19 0.57 0.29 7.07 0.02 -0.89 0.03 113.55 120.83 1kx7 h SER 45 Ca 0.07 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1kx7 h SER 45 Cb 0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1kx7 h SER 45 CO -0.05 0.57 -0.22 0.58 -1.14 0.00 0.00 176.83 176.57 1kx7 h VAL 46 N 0.61 0.53 -0.33 2.27 2.07 -0.80 -1.01 116.25 119.58 1kx7 h VAL 46 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1kx7 h VAL 46 Cb 0.21 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1kx7 h VAL 46 CO -0.01 0.00 0.12 0.07 0.02 0.00 0.00 177.57 177.77 1kx7 h LYS 47 N -0.52 0.47 -0.09 1.57 2.10 -0.70 0.39 116.57 119.80 1kx7 h LYS 47 Ca -0.02 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.42 1kx7 h LYS 47 Cb 0.45 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1kx7 h LYS 47 CO -0.01 0.41 -0.61 1.15 -2.00 0.00 0.00 179.45 178.39 1kx7 h THR 48 N 0.47 1.38 -2.77 0.07 2.02 -0.71 -2.98 112.91 110.39 1kx7 h THR 48 Ca 0.12 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1kx7 h THR 48 Cb 0.12 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1kx7 h THR 48 CO -0.01 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.08 1kx7 n GLY 49 N 0.30 -2.68 3.62 2.16 0.00 -0.41 -4.70 105.19 103.47 1kx7 n GLY 49 Ca -0.03 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 1kx7 n GLY 49 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kx7 s LEU 50 N 0.00 1.27 0.11 0.99 2.96 -0.89 -4.82 118.68 118.30 1kx7 s LEU 50 Ca 0.00 1.23 -0.31 0.00 -0.22 0.00 0.00 54.13 54.83 1kx7 s LEU 50 Cb 0.00 -3.30 -0.10 0.00 0.50 0.00 0.00 46.19 43.29 1kx7 s LEU 50 CO 0.00 -3.52 1.59 0.78 -1.32 0.00 0.00 176.35 173.87 1kx7 h ASN 51 N -2.16 -1.25 -0.50 3.68 2.35 -1.97 0.17 115.58 115.89 1kx7 h ASN 51 Ca -0.57 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 1kx7 h ASN 51 Cb 1.34 0.47 -0.02 0.00 0.05 0.00 0.00 38.32 40.15 1kx7 h ASN 51 CO 0.56 -0.50 0.05 0.00 -1.65 0.00 0.00 177.43 175.89 1kx7 n ALA 52 N -2.83 3.78 -3.66 -0.83 0.00 -1.26 -4.89 120.51 110.81 1kx7 n ALA 52 Ca -0.07 -1.65 -0.28 0.00 0.00 0.00 0.00 53.44 51.44 1kx7 n ALA 52 Cb 0.38 -1.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.54 1kx7 n ALA 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kx7 s MET 53 N -2.47 2.16 0.66 0.00 -2.45 0.05 -5.06 119.30 112.18 1kx7 s MET 53 Ca 0.45 -0.54 -0.17 0.00 -1.25 0.00 0.00 55.69 54.18 1kx7 s MET 53 Cb 0.35 -1.85 -0.00 0.00 1.25 0.00 0.00 34.83 34.58 1kx7 s MET 53 CO 0.13 -0.07 1.25 -1.25 1.05 0.00 0.00 175.02 176.13 1kx7 s PRO 54 N 1.01 2.51 0.37 4.11 0.04 -1.26 -2.10 135.00 139.68 1kx7 s PRO 54 Ca -0.06 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1kx7 s PRO 54 Cb -0.15 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1kx7 s PRO 54 CO -0.02 -1.59 1.45 -1.25 0.04 0.00 0.00 177.00 175.63 1kx7 s PRO 55 N -3.52 4.13 -1.70 0.56 0.04 -1.26 -1.30 135.00 131.94 1kx7 s PRO 55 Ca 0.79 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 64.33 1kx7 s PRO 55 Cb -0.34 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1kx7 s PRO 55 CO 0.40 -0.49 0.09 0.41 0.04 0.00 0.00 177.00 177.45 1kx7 n GLY 56 N 0.52 -0.47 3.61 0.56 0.00 0.13 -2.99 105.19 106.55 1kx7 n GLY 56 Ca 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1kx7 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kx7 n GLY 57 N -1.09 -0.46 1.51 -0.02 0.00 -0.42 -0.63 105.19 104.07 1kx7 n GLY 57 Ca -0.22 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1kx7 n GLY 57 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1kx7 n MET 58 N -3.70 0.00 -3.67 1.61 1.56 -1.16 -4.53 117.12 107.23 1kx7 n MET 58 Ca 0.03 0.09 -0.21 0.00 -0.27 0.00 0.00 57.70 57.34 1kx7 n MET 58 Cb 0.51 -2.44 -0.03 0.00 2.15 0.00 0.00 33.22 33.40 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 n THR 60 N -1.47 0.00 0.07 0.00 -1.04 -1.26 -4.51 114.28 106.07 1kx7 n THR 60 Ca 0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1kx7 n THR 60 Cb 0.61 -0.90 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 1kx7 n THR 60 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1kx7 h ASP 61 N 0.00 0.00 -2.09 8.00 3.58 -1.97 -3.46 116.42 120.49 1kx7 h ASP 61 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 1kx7 h ASP 61 Cb 0.44 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.52 1kx7 h ASP 61 CO 0.00 0.95 1.04 0.00 -2.88 0.00 0.00 179.24 178.34 1kx7 s THR 63 N 3.39 4.40 0.29 0.00 2.01 -1.26 -4.88 115.64 119.58 1kx7 s THR 63 Ca 0.90 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1kx7 s THR 63 Cb -0.69 -3.49 0.32 0.00 0.01 0.00 0.00 72.50 68.66 1kx7 s THR 63 CO 0.48 -0.27 1.64 0.44 -0.69 0.00 0.00 174.62 176.23 1kx7 h ASP 64 N 1.22 -0.06 -1.00 3.53 3.32 -1.97 0.20 116.42 121.66 1kx7 h ASP 64 Ca -0.48 0.21 0.21 0.00 0.02 0.00 0.00 57.03 56.99 1kx7 h ASP 64 Cb 1.24 0.29 -0.11 0.00 0.22 0.00 0.00 39.33 40.97 1kx7 h ASP 64 CO 0.59 -0.18 0.60 1.05 -1.72 0.00 0.00 179.24 179.57 1kx7 h GLU 65 N 0.18 0.66 0.12 3.56 4.11 -2.00 0.79 114.58 122.00 1kx7 h GLU 65 Ca 0.55 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.69 1kx7 h GLU 65 Cb 1.12 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1kx7 h GLU 65 CO -0.68 0.43 -1.25 -0.44 0.07 0.00 0.00 179.01 177.15 1kx7 h ASP 66 N 0.68 0.40 -0.08 3.06 3.32 -1.12 -3.24 116.42 119.43 1kx7 h ASP 66 Ca 0.61 -0.87 0.02 0.00 0.02 0.00 0.00 57.03 56.80 1kx7 h ASP 66 Cb 1.04 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1kx7 h ASP 66 CO -0.43 1.55 -0.03 1.88 -1.72 0.00 0.00 179.24 180.49 1kx7 h TYR 67 N -0.34 -0.08 -0.40 4.55 0.05 -0.33 0.95 116.97 121.37 1kx7 h TYR 67 Ca -0.26 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.55 1kx7 h TYR 67 Cb 1.72 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 39.48 1kx7 h TYR 67 CO 0.14 -0.06 0.22 0.87 -1.05 0.00 0.00 178.16 178.28 1kx7 h LYS 68 N -0.03 0.43 -0.69 4.88 1.57 -1.03 0.13 116.57 121.82 1kx7 h LYS 68 Ca 0.04 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1kx7 h LYS 68 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1kx7 h LYS 68 CO -0.10 0.28 0.46 0.00 -0.57 0.00 0.00 179.45 179.53 1kx7 h ALA 69 N 1.20 2.02 -0.14 3.86 0.00 -1.52 0.87 119.26 125.55 1kx7 h ALA 69 Ca 0.17 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1kx7 h ALA 69 Cb 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kx7 h ALA 69 CO -0.10 -0.18 -0.67 0.00 0.00 0.00 0.00 179.25 178.29 1kx7 h ALA 70 N 1.66 0.27 -0.00 0.00 0.00 0.17 -0.41 119.26 120.95 1kx7 h ALA 70 Ca 0.33 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1kx7 h ALA 70 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1kx7 h ALA 70 CO -0.10 0.57 -0.86 -0.84 0.00 0.00 0.00 179.25 178.02 1kx7 h ILE 71 N 0.40 1.47 -0.10 0.00 3.07 -0.77 -3.16 117.51 118.42 1kx7 h ILE 71 Ca -0.04 -2.54 -0.12 0.00 1.55 0.00 0.00 64.86 63.70 1kx7 h ILE 71 Cb 1.31 2.42 -0.01 0.00 -0.27 0.00 0.00 36.82 40.26 1kx7 h ILE 71 CO 0.14 0.74 -0.47 1.05 -1.05 0.00 0.00 178.15 178.57 1kx7 h GLU 72 N 0.13 0.25 -0.65 0.16 4.11 -0.85 -1.36 114.58 116.38 1kx7 h GLU 72 Ca -0.04 -0.14 0.14 0.00 0.07 0.00 0.00 59.36 59.39 1kx7 h GLU 72 Cb 1.48 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.62 1kx7 h GLU 72 CO 0.13 0.67 -0.02 0.35 0.07 0.00 0.00 179.01 180.22 1kx7 h PHE 73 N 0.21 -0.09 0.08 2.06 3.04 -1.03 -2.80 116.94 118.41 1kx7 h PHE 73 Ca 0.01 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1kx7 h PHE 73 Cb 0.91 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.55 1kx7 h PHE 73 CO 0.02 -0.20 -0.04 0.52 -2.02 0.00 0.00 178.31 176.59 1kx7 h MET 74 N 0.10 -0.10 0.00 1.11 2.86 -1.57 -3.48 114.93 113.84 1kx7 h MET 74 Ca 0.34 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1kx7 h MET 74 Cb 0.55 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1kx7 h MET 74 CO -0.57 0.41 0.00 0.43 1.06 0.00 0.00 176.91 178.24 1kx7 n SER 75 N -4.87 0.00 0.00 1.22 7.64 -0.53 -4.87 113.62 112.21 1kx7 n SER 75 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1kx7 n SER 75 Cb 0.28 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1kx7 n SER 75 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1kx7 n LYS 76 N -1.11 0.00 0.00 1.43 2.85 -1.15 -4.58 118.16 115.60 1kx7 n LYS 76 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1kx7 n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1kx7 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kx7 n ALA 77 N 0.00 0.00 1.69 0.58 0.00 -1.26 -4.73 120.51 116.80 1kx7 n ALA 77 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1kx7 n ALA 77 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86