#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 -0.76 -0.68 0.00 2.15 -1.26 -5.06 116.67 111.06 1kx7 s ASP -2 Ca 0.00 1.22 -0.07 0.00 0.43 0.00 0.00 52.55 54.12 1kx7 s ASP -2 Cb 0.00 1.31 -0.17 0.00 -0.30 0.00 0.00 42.92 43.76 1kx7 s ASP -2 CO 0.00 -0.19 3.06 0.18 -0.17 0.00 0.00 175.17 178.05 1kx7 n LEU -1 N 4.05 6.20 -0.01 -1.34 7.99 -1.26 -4.04 117.00 128.59 1kx7 n LEU -1 Ca -0.19 -3.43 0.03 0.00 -0.01 0.00 0.00 56.01 52.40 1kx7 n LEU -1 Cb 0.58 -1.36 -0.07 0.00 -0.11 0.00 0.00 43.42 42.46 1kx7 n LEU -1 CO -0.00 1.60 -0.65 1.67 -1.51 0.00 0.00 177.39 178.50 1kx7 n GLN 1 N 3.09 0.76 -3.66 3.23 -0.06 -1.26 -5.00 117.38 114.48 1kx7 n GLN 1 Ca 0.54 -0.07 -0.09 0.00 -2.00 0.00 0.00 57.00 55.38 1kx7 n GLN 1 Cb 0.54 -1.23 -0.10 0.00 -4.06 0.00 0.00 30.24 25.39 1kx7 n GLN 1 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1kx7 s ASP 2 N -3.31 -0.25 0.31 1.69 -1.08 -1.26 -5.04 116.67 107.73 1kx7 s ASP 2 Ca -0.04 0.96 0.05 0.00 -0.52 0.00 0.00 52.55 53.01 1kx7 s ASP 2 Cb 0.05 1.26 0.83 0.00 -1.46 0.00 0.00 42.92 43.61 1kx7 s ASP 2 CO 0.39 -0.23 1.61 0.00 0.52 0.00 0.00 175.17 177.46 1kx7 h ALA 3 N 8.07 1.39 -0.12 3.66 0.00 -1.87 0.19 119.26 130.59 1kx7 h ALA 3 Ca -0.18 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1kx7 h ALA 3 Cb 1.12 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1kx7 h ALA 3 CO 0.14 -0.58 -0.10 1.49 0.00 0.00 0.00 179.25 180.20 1kx7 h GLU 4 N 0.11 -0.10 -0.08 0.00 4.81 -1.96 -0.41 114.58 116.95 1kx7 h GLU 4 Ca 0.62 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.75 1kx7 h GLU 4 Cb 1.35 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1kx7 h GLU 4 CO -0.77 -0.07 -0.44 0.00 -0.73 0.00 0.00 179.01 177.00 1kx7 h ALA 5 N 0.98 1.12 0.12 2.92 0.00 -1.27 0.20 119.26 123.33 1kx7 h ALA 5 Ca 0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1kx7 h ALA 5 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kx7 h ALA 5 CO -0.19 0.60 -0.06 0.82 0.00 0.00 0.00 179.25 180.42 1kx7 h ILE 6 N 0.15 1.05 -0.35 0.00 2.04 -0.41 0.51 117.51 120.49 1kx7 h ILE 6 Ca 0.01 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 64.95 1kx7 h ILE 6 Cb 0.84 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1kx7 h ILE 6 CO 0.07 0.19 -0.27 0.10 0.00 0.00 0.00 178.15 178.23 1kx7 h TYR 7 N -0.54 0.95 0.00 1.37 -0.00 -0.95 -0.47 116.97 117.33 1kx7 h TYR 7 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 58.73 58.44 1kx7 h TYR 7 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 36.95 1kx7 h TYR 7 CO 0.05 1.04 -0.05 -0.97 -0.00 0.00 0.00 178.16 178.22 1kx7 h ASN 8 N 0.59 0.00 0.54 0.10 -1.24 -0.62 0.20 115.58 115.15 1kx7 h ASN 8 Ca 0.07 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.85 1kx7 h ASN 8 Cb 0.84 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.85 1kx7 h ASN 8 CO 0.07 0.05 -1.63 2.29 -1.29 0.00 0.00 177.43 176.92 1kx7 n LYS 9 N -3.23 0.63 0.00 6.67 -0.00 0.17 -4.68 118.16 117.72 1kx7 n LYS 9 Ca -0.01 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1kx7 n LYS 9 Cb 0.26 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.52 1kx7 n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kx7 n ALA 10 N -2.48 1.57 -0.24 0.58 0.00 -0.19 -4.71 120.51 115.03 1kx7 n ALA 10 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1kx7 n ALA 10 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 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 1.47 0.00 -0.05 0.00 5.66 -1.08 -3.63 114.28 116.65 1kx7 n THR 12 Ca 0.00 -0.49 -0.18 0.00 -3.05 0.00 0.00 64.05 60.33 1kx7 n THR 12 Cb 0.40 1.01 -0.14 0.00 -1.55 0.00 0.00 70.33 70.05 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 -0.61 1.65 -0.01 1.08 0.31 -1.25 -4.45 118.33 115.05 1kx7 n VAL 13 Ca 0.00 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 1kx7 n VAL 13 Cb 0.02 -1.46 -0.01 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.45 0.00 0.40 0.00 3.86 -1.78 0.47 115.15 117.66 1kx7 h HIS 15 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1kx7 h HIS 15 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1kx7 h HIS 15 CO -0.19 0.44 -0.26 1.03 0.86 0.00 0.00 177.93 179.81 1kx7 h SER 16 N 0.00 -0.65 0.00 2.45 0.87 -1.78 -2.48 113.55 111.97 1kx7 h SER 16 Ca -0.00 0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 1kx7 h SER 16 Cb 1.07 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1kx7 h SER 16 CO 0.06 -0.41 -2.09 0.23 -0.53 0.00 0.00 176.83 174.09 1kx7 n MET 17 N -5.39 0.72 -1.05 2.24 2.81 -1.23 -4.61 117.12 110.60 1kx7 n MET 17 Ca -0.10 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1kx7 n MET 17 Cb 0.29 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1kx7 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kx7 n GLY 18 N 1.52 0.60 3.92 3.03 0.00 0.14 -5.01 105.19 109.38 1kx7 n GLY 18 Ca -0.14 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.26 5.07 -1.79 1.61 1.01 0.16 -4.23 120.40 119.97 1kx7 s VAL 19 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1kx7 s VAL 19 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1kx7 s VAL 19 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1kx7 n ALA 20 N -1.16 -0.48 -1.03 5.51 0.00 -1.26 -0.65 120.51 121.45 1kx7 n ALA 20 Ca -0.03 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 1kx7 n ALA 20 Cb 0.54 -1.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.66 0.46 3.72 0.00 0.00 -1.26 -5.03 105.19 102.43 1kx7 n GLY 21 Ca -0.20 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.84 2.21 0.87 4.61 0.00 0.18 -5.01 121.76 122.77 1kx7 s ALA 22 Ca 0.00 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 1kx7 s ALA 22 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.72 1kx7 s ALA 22 CO 0.00 -1.79 1.14 -1.25 0.00 0.00 0.00 175.76 173.86 1kx7 s PRO 23 N -3.67 1.44 0.39 0.00 0.04 -1.26 -4.45 135.00 127.48 1kx7 s PRO 23 Ca 0.78 0.28 -0.24 0.00 0.04 0.00 0.00 61.00 61.86 1kx7 s PRO 23 Cb -0.33 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1kx7 s PRO 23 CO 0.43 -1.99 0.99 0.15 0.04 0.00 0.00 177.00 176.62 1kx7 s LYS 24 N -5.34 4.30 0.53 4.56 -0.14 -1.26 -4.44 119.74 117.96 1kx7 s LYS 24 Ca 0.63 1.34 0.34 0.00 -1.36 0.00 0.00 55.97 56.92 1kx7 s LYS 24 Cb -0.14 -2.51 1.51 0.00 -1.68 0.00 0.00 37.83 35.01 1kx7 s LYS 24 CO 0.52 0.02 1.83 1.03 -0.76 0.00 0.00 175.35 177.99 1kx7 h SER 25 N 2.53 0.02 -2.64 2.83 0.87 -1.70 -3.37 113.55 112.10 1kx7 h SER 25 Ca -0.48 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.83 1kx7 h SER 25 Cb 1.20 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.82 1kx7 h SER 25 CO 0.63 0.00 -0.57 -1.38 -0.53 0.00 0.00 176.83 174.98 1kx7 s HIS 26 N -4.98 -0.39 0.20 2.24 0.00 -1.26 -4.56 115.29 106.53 1kx7 s HIS 26 Ca -0.05 0.63 -0.06 0.00 -3.00 0.00 0.00 55.06 52.58 1kx7 s HIS 26 Cb 0.23 -0.18 -0.02 0.00 -4.00 0.00 0.00 32.58 28.60 1kx7 s HIS 26 CO 0.79 -0.49 0.24 -0.80 -1.00 0.00 0.00 174.74 173.49 1kx7 s ASN 27 N 2.39 0.09 -0.11 7.38 0.01 -1.26 -5.07 114.94 118.36 1kx7 s ASN 27 Ca 0.05 -1.15 0.07 0.00 -0.71 0.00 0.00 52.86 51.13 1kx7 s ASN 27 Cb -0.14 0.43 -0.12 0.00 0.41 0.00 0.00 41.25 41.83 1kx7 s ASN 27 CO -0.11 -0.91 -0.00 0.41 -1.51 0.00 0.00 177.10 174.98 1kx7 n THR 28 N -0.27 0.73 0.10 1.60 -1.04 -1.26 -4.48 114.28 109.67 1kx7 n THR 28 Ca -0.02 -0.41 -0.03 0.00 -2.04 0.00 0.00 64.05 61.55 1kx7 n THR 28 Cb 0.64 -0.78 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.40 0.55 0.08 2.41 0.00 -1.99 0.24 119.26 120.95 1kx7 h ALA 29 Ca -0.29 -0.71 -0.26 0.00 0.00 0.00 0.00 54.91 53.65 1kx7 h ALA 29 Cb 1.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1kx7 h ALA 29 CO 0.00 0.98 -1.24 -0.44 0.00 0.00 0.00 179.25 178.55 1kx7 h ASP 30 N 0.00 0.28 0.10 0.00 5.19 -1.99 -3.35 116.42 116.65 1kx7 h ASP 30 Ca -0.01 -0.32 -0.27 0.00 -0.62 0.00 0.00 57.03 55.82 1kx7 h ASP 30 Cb 1.53 -0.09 0.03 0.00 0.18 0.00 0.00 39.33 40.97 1kx7 h ASP 30 CO 0.10 1.25 -1.11 -0.50 -3.12 0.00 0.00 179.24 175.87 1kx7 h TRP 31 N 0.05 0.92 -0.49 4.55 4.06 -1.77 -3.35 115.95 119.92 1kx7 h TRP 31 Ca -0.12 -0.57 0.04 0.00 2.06 0.00 0.00 58.89 60.30 1kx7 h TRP 31 Cb 1.92 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 29.95 1kx7 h TRP 31 CO 0.04 1.42 -0.29 0.39 -3.56 0.00 0.00 178.44 176.44 1kx7 n GLU 32 N -3.89 -0.22 0.00 0.49 1.02 0.84 0.36 120.64 119.25 1kx7 n GLU 32 Ca -0.13 1.25 0.09 0.00 -0.02 0.00 0.00 57.16 58.34 1kx7 n GLU 32 Cb 0.92 -1.85 0.51 0.00 -0.02 0.00 0.00 31.44 31.00 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 -4.11 0.51 -0.11 3.49 -0.04 -1.26 -1.66 135.00 131.82 1kx7 n PRO 33 Ca 0.01 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1kx7 n PRO 33 Cb 0.13 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.03 0.72 -0.86 0.54 3.00 -0.08 -4.61 116.66 114.34 1kx7 n ARG 34 Ca 0.12 0.06 0.05 0.00 -0.01 0.00 0.00 57.85 58.07 1kx7 n ARG 34 Cb 0.07 -1.50 0.37 0.00 0.00 0.00 0.00 32.46 31.39 1kx7 n ARG 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1kx7 n LEU 35 N -2.96 5.51 -1.14 0.55 7.94 0.16 -3.95 117.00 123.11 1kx7 n LEU 35 Ca -0.38 -2.81 0.08 0.00 -1.11 0.00 0.00 56.01 51.80 1kx7 n LEU 35 Cb 1.06 -0.69 0.28 0.00 0.53 0.00 0.00 43.42 44.60 1kx7 n LEU 35 CO 0.34 0.63 0.74 0.00 -1.11 0.00 0.00 177.39 177.99 1kx7 n ALA 36 N 0.47 2.94 0.00 1.96 0.00 -0.78 -4.51 120.51 120.59 1kx7 n ALA 36 Ca 0.28 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1kx7 n ALA 36 Cb 1.17 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1kx7 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kx7 n LYS 37 N 0.29 0.00 0.00 0.00 4.76 -1.25 -5.10 118.16 116.86 1kx7 n LYS 37 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1kx7 n LYS 37 Cb 0.82 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1kx7 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kx7 n GLY 38 N 2.09 -0.58 1.50 0.72 0.00 -1.26 -5.06 105.19 102.60 1kx7 n GLY 38 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.93 0.32 0.38 1.61 0.31 -1.26 -4.44 118.33 117.18 1kx7 n VAL 39 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1kx7 n VAL 39 Cb 0.00 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1kx7 n VAL 39 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kx7 n ASP 40 N -3.13 2.51 -0.10 4.52 9.92 -1.26 -2.52 116.55 126.50 1kx7 n ASP 40 Ca 0.00 -1.54 -0.18 0.00 -0.53 0.00 0.00 54.79 52.54 1kx7 n ASP 40 Cb 0.13 -0.47 -0.07 0.00 -0.64 0.00 0.00 41.12 40.07 1kx7 n ASP 40 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1kx7 n ASN 41 N 0.95 1.79 0.10 -2.24 3.02 -1.26 -4.49 115.26 113.13 1kx7 n ASN 41 Ca 0.00 0.12 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 1kx7 n ASN 41 Cb 0.34 -0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 38.88 1kx7 n ASN 41 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1kx7 h LEU 42 N -0.46 0.71 -2.13 3.41 -0.00 -1.71 -3.02 115.31 112.11 1kx7 h LEU 42 Ca -0.46 -0.93 0.08 0.00 -0.00 0.00 0.00 57.88 56.56 1kx7 h LEU 42 Cb 1.50 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1kx7 h LEU 42 CO -0.22 1.75 0.26 1.62 -0.00 0.00 0.00 178.44 181.86 1kx7 h VAL 43 N 0.10 0.52 -0.15 1.22 3.04 -1.74 0.11 116.25 119.36 1kx7 h VAL 43 Ca -0.31 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.19 1kx7 h VAL 43 Cb 2.11 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 32.19 1kx7 h VAL 43 CO 0.21 0.00 -0.67 0.11 -1.01 0.00 0.00 177.57 176.21 1kx7 h LYS 44 N 0.00 0.62 -0.16 4.17 1.79 -1.76 -2.62 116.57 118.60 1kx7 h LYS 44 Ca 0.13 -0.46 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 1kx7 h LYS 44 Cb 0.66 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1kx7 h LYS 44 CO -0.00 1.08 -0.29 0.77 -1.08 0.00 0.00 179.45 179.93 1kx7 h SER 45 N 0.44 0.31 -0.17 0.86 0.02 -0.74 -2.62 113.55 111.66 1kx7 h SER 45 Ca -0.02 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1kx7 h SER 45 Cb 1.26 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1kx7 h SER 45 CO 0.13 0.60 0.02 0.58 -1.14 0.00 0.00 176.83 177.02 1kx7 h VAL 46 N 0.28 0.91 0.00 2.27 2.07 -1.01 0.05 116.25 120.81 1kx7 h VAL 46 Ca 0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1kx7 h VAL 46 Cb 0.66 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1kx7 h VAL 46 CO 0.05 0.01 -0.19 0.07 0.02 0.00 0.00 177.57 177.53 1kx7 h LYS 47 N 0.08 0.00 0.00 1.57 2.10 -1.13 0.60 116.57 119.79 1kx7 h LYS 47 Ca 0.08 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.50 1kx7 h LYS 47 Cb 0.08 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.37 1kx7 h LYS 47 CO -0.11 0.19 -1.22 1.79 -2.00 0.00 0.00 179.45 178.10 1kx7 h THR 48 N 0.00 1.36 -2.73 0.07 1.35 -1.31 0.55 112.91 112.19 1kx7 h THR 48 Ca -0.00 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.77 1kx7 h THR 48 Cb 0.37 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1kx7 h THR 48 CO 0.02 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1kx7 n GLY 49 N 1.41 -2.76 3.45 5.82 0.00 -0.01 -4.36 105.19 108.74 1kx7 n GLY 49 Ca -0.06 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 0.14 0.14 0.99 2.96 -1.21 -4.79 118.68 116.91 1kx7 s LEU 50 Ca 0.00 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.73 1kx7 s LEU 50 Cb 0.00 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 1kx7 s LEU 50 CO 0.00 -4.54 1.57 0.78 -1.32 0.00 0.00 176.35 172.84 1kx7 h ASN 51 N -2.86 -1.53 -0.70 3.68 2.35 -1.98 0.13 115.58 114.68 1kx7 h ASN 51 Ca -0.53 0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.26 1kx7 h ASN 51 Cb 1.33 0.64 -0.10 0.00 0.05 0.00 0.00 38.32 40.24 1kx7 h ASN 51 CO 0.42 -0.41 0.22 0.00 -1.65 0.00 0.00 177.43 176.01 1kx7 n ALA 52 N -3.03 4.43 -2.62 -0.83 0.00 -1.26 -4.95 120.51 112.24 1kx7 n ALA 52 Ca -0.03 -2.18 -0.26 0.00 0.00 0.00 0.00 53.44 50.97 1kx7 n ALA 52 Cb 0.36 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 1kx7 n ALA 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1kx7 s MET 53 N -2.88 2.25 0.14 0.00 -1.94 0.44 -5.07 119.30 112.25 1kx7 s MET 53 Ca 0.54 -1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 1kx7 s MET 53 Cb 0.42 -2.26 -0.07 0.00 2.01 0.00 0.00 34.83 34.94 1kx7 s MET 53 CO 0.14 0.44 1.09 -1.25 -0.01 0.00 0.00 175.02 175.43 1kx7 s PRO 54 N -2.95 4.58 -0.12 2.03 0.04 -1.26 -4.35 135.00 132.96 1kx7 s PRO 54 Ca 0.27 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1kx7 s PRO 54 Cb -0.09 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1kx7 s PRO 54 CO 0.17 0.03 1.73 -1.25 0.04 0.00 0.00 177.00 177.72 1kx7 s PRO 55 N -0.03 3.94 0.00 0.56 0.04 -1.26 -2.28 135.00 135.97 1kx7 s PRO 55 Ca 0.51 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1kx7 s PRO 55 Cb -0.28 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1kx7 s PRO 55 CO 0.33 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1kx7 n GLY 56 N 4.52 1.22 4.03 0.56 0.00 0.18 -4.32 105.19 111.38 1kx7 n GLY 56 Ca 0.19 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.93 -0.45 5.00 -0.02 0.00 0.15 -2.89 105.19 106.06 1kx7 n GLY 57 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.06 0.00 -2.66 1.61 1.56 -1.25 -4.75 117.12 107.57 1kx7 n MET 58 Ca 0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.08 1kx7 n MET 58 Cb 0.49 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.83 1kx7 n MET 58 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1kx7 h THR 60 N 6.10 1.20 0.00 0.00 1.03 -1.82 -3.29 112.91 116.13 1kx7 h THR 60 Ca -0.20 -0.37 -0.52 0.00 -0.01 0.00 0.00 66.41 65.31 1kx7 h THR 60 Cb 1.05 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1kx7 h THR 60 CO 1.26 0.20 2.63 -0.67 -0.01 0.00 0.00 175.52 178.93 1kx7 n ASP 61 N -4.53 7.57 -4.08 0.00 -0.08 -1.26 -4.84 116.55 109.32 1kx7 n ASP 61 Ca 0.08 -2.52 -0.24 0.00 -1.51 0.00 0.00 54.79 50.59 1kx7 n ASP 61 Cb 0.02 -1.49 -0.16 0.00 2.34 0.00 0.00 41.12 41.83 1kx7 n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kx7 s THR 63 N 0.19 4.85 0.45 0.00 2.01 -1.26 -4.94 115.64 116.94 1kx7 s THR 63 Ca -0.06 -0.14 0.29 0.00 0.31 0.00 0.00 61.69 62.10 1kx7 s THR 63 Cb -0.12 -3.12 0.49 0.00 0.01 0.00 0.00 72.50 69.76 1kx7 s THR 63 CO 0.02 0.53 1.68 0.44 -0.69 0.00 0.00 174.62 176.60 1kx7 h ASP 64 N 4.76 0.25 -0.55 3.53 5.19 -2.01 0.38 116.42 127.98 1kx7 h ASP 64 Ca -0.52 0.10 0.08 0.00 -0.62 0.00 0.00 57.03 56.07 1kx7 h ASP 64 Cb 1.20 0.07 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 1kx7 h ASP 64 CO 0.58 -0.08 -0.44 -0.33 -3.12 0.00 0.00 179.24 175.86 1kx7 h GLU 65 N 0.15 -0.24 0.07 3.56 4.39 -1.99 0.58 114.58 121.10 1kx7 h GLU 65 Ca 0.75 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 60.30 1kx7 h GLU 65 Cb 2.37 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 31.09 1kx7 h GLU 65 CO -0.31 -0.16 -0.68 -0.44 -1.16 0.00 0.00 179.01 176.26 1kx7 h ASP 66 N -0.25 0.48 -0.27 1.42 3.32 -0.77 -2.43 116.42 117.92 1kx7 h ASP 66 Ca 0.17 -0.86 0.01 0.00 0.02 0.00 0.00 57.03 56.37 1kx7 h ASP 66 Cb 0.57 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1kx7 h ASP 66 CO -0.67 1.29 0.17 0.22 -1.72 0.00 0.00 179.24 178.53 1kx7 h TYR 67 N -0.26 0.32 -0.23 4.55 3.20 -0.79 0.27 116.97 124.03 1kx7 h TYR 67 Ca -0.10 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 1kx7 h TYR 67 Cb 1.46 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1kx7 h TYR 67 CO 0.17 0.19 -0.20 0.87 -1.64 0.00 0.00 178.16 177.56 1kx7 h LYS 68 N 0.35 0.53 -0.70 1.82 1.57 -1.00 0.68 116.57 119.82 1kx7 h LYS 68 Ca 0.10 -0.27 0.20 0.00 -1.87 0.00 0.00 60.65 58.81 1kx7 h LYS 68 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1kx7 h LYS 68 CO -0.04 0.85 0.62 0.00 -0.57 0.00 0.00 179.45 180.32 1kx7 h ALA 69 N 0.67 2.53 0.07 3.86 0.00 -1.00 0.25 119.26 125.64 1kx7 h ALA 69 Ca 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1kx7 h ALA 69 Cb 0.74 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1kx7 h ALA 69 CO 0.05 -0.98 -0.94 0.00 0.00 0.00 0.00 179.25 177.38 1kx7 h ALA 70 N 1.41 0.10 -0.83 0.00 0.00 -0.48 -2.87 119.26 116.59 1kx7 h ALA 70 Ca 0.33 -0.89 0.17 0.00 0.00 0.00 0.00 54.91 54.51 1kx7 h ALA 70 Cb 1.58 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1kx7 h ALA 70 CO -0.00 0.52 0.55 0.97 0.00 0.00 0.00 179.25 181.29 1kx7 h ILE 71 N -0.61 0.76 0.00 0.00 6.09 0.61 -0.62 117.51 123.74 1kx7 h ILE 71 Ca -0.21 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1kx7 h ILE 71 Cb 1.48 0.26 0.00 0.00 0.47 0.00 0.00 36.82 39.03 1kx7 h ILE 71 CO 0.01 0.08 -0.76 1.05 -3.07 0.00 0.00 178.15 175.47 1kx7 h GLU 72 N 0.45 0.00 -0.68 2.19 -0.00 -0.72 -3.27 114.58 112.56 1kx7 h GLU 72 Ca 0.42 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.89 1kx7 h GLU 72 Cb 0.95 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.62 1kx7 h GLU 72 CO -0.15 0.00 0.27 0.35 -0.00 0.00 0.00 179.01 179.48 1kx7 h PHE 73 N 0.00 0.47 0.33 2.06 3.04 -0.86 -3.13 116.94 118.84 1kx7 h PHE 73 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 1kx7 h PHE 73 Cb 0.90 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1kx7 h PHE 73 CO 0.00 0.10 -0.16 0.52 -2.02 0.00 0.00 178.31 176.75 1kx7 h MET 74 N 0.45 -0.43 0.00 1.11 2.86 -1.71 -3.49 114.93 113.71 1kx7 h MET 74 Ca 0.35 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1kx7 h MET 74 Cb 0.47 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1kx7 h MET 74 CO -0.34 -0.29 0.00 0.43 1.06 0.00 0.00 176.91 177.77 1kx7 n SER 75 N -4.47 0.00 -2.67 1.22 7.64 -1.18 -4.82 113.62 109.34 1kx7 n SER 75 Ca -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.79 1kx7 n SER 75 Cb 0.18 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.00 0.28 0.00 1.43 2.85 -1.25 -4.51 118.16 116.96 1kx7 n LYS 76 Ca 0.00 -0.85 0.00 0.00 -1.05 0.00 0.00 58.31 56.41 1kx7 n LYS 76 Cb 0.00 -0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.22 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 0.08 0.00 0.40 0.58 0.00 -1.23 -4.65 120.51 115.68 1kx7 n ALA 77 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1kx7 n ALA 77 Cb 0.72 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.21 1kx7 n ALA 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86