#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk7 n ALA 2 N 0.00 -0.23 0.00 -5.12 0.00 -1.26 -4.56 120.51 109.34 2kk7 n ALA 2 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2kk7 n ALA 2 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2kk7 n ALA 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kk7 n VAL 3 N -2.35 0.00 -0.21 0.00 0.31 -1.26 -4.88 118.33 109.95 2kk7 n VAL 3 Ca -0.15 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.36 2kk7 n VAL 3 Cb 0.61 -0.06 0.51 0.00 -0.91 0.00 0.00 33.84 33.99 2kk7 n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kk7 h LYS 4 N 0.00 0.39 0.00 5.55 2.10 -2.05 -3.38 116.57 119.18 2kk7 h LYS 4 Ca 0.00 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 2kk7 h LYS 4 Cb 0.00 -0.09 0.03 0.00 -0.90 0.00 0.00 32.23 31.27 2kk7 h LYS 4 CO 0.00 0.26 -0.02 1.28 -2.00 0.00 0.00 179.45 178.96 2kk7 n LEU 5 N -4.49 0.00 -4.58 7.07 4.77 -1.26 -4.74 117.00 113.77 2kk7 n LEU 5 Ca 0.17 -0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2kk7 n LEU 5 Cb 0.64 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2kk7 n LEU 5 CO 0.32 -1.67 1.55 0.00 -1.33 0.00 0.00 177.39 176.25 2kk7 s MET 6 N -3.31 2.70 0.53 3.23 0.23 -1.26 -4.76 119.30 116.66 2kk7 s MET 6 Ca 0.10 -1.19 0.29 0.00 -1.03 0.00 0.00 55.69 53.86 2kk7 s MET 6 Cb -0.02 -5.26 1.43 0.00 -1.53 0.00 0.00 34.83 29.45 2kk7 s MET 6 CO 0.08 -3.70 1.93 0.78 -2.03 0.00 0.00 175.02 172.08 2kk7 h GLY 7 N 17.06 0.04 0.87 3.16 0.00 -1.85 0.65 103.07 123.00 2kk7 h GLY 7 Ca 0.23 -0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.69 2kk7 h GLY 7 CO 1.25 0.00 0.44 -2.08 0.00 0.00 0.00 176.54 176.15 2kk7 h VAL 8 N 0.02 0.80 0.00 4.60 2.07 -1.95 0.19 116.25 121.98 2kk7 h VAL 8 Ca 0.36 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 2kk7 h VAL 8 Cb 1.42 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2kk7 h VAL 8 CO -0.01 0.05 -0.35 0.44 0.02 0.00 0.00 177.57 177.72 2kk7 h ASP 9 N 0.27 0.00 0.02 0.57 5.19 -1.26 0.49 116.42 121.71 2kk7 h ASP 9 Ca 0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2kk7 h ASP 9 Cb 0.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 2kk7 h ASP 9 CO -0.07 0.35 -0.01 0.50 -3.12 0.00 0.00 179.24 176.89 2kk7 h LYS 10 N 0.00 -0.03 -0.52 3.56 1.63 -0.75 -2.21 116.57 118.25 2kk7 h LYS 10 Ca -0.00 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 2kk7 h LYS 10 Cb 0.69 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2kk7 h LYS 10 CO 0.05 0.73 -0.03 -0.84 -3.45 0.00 0.00 179.45 175.90 2kk7 h ILE 11 N -0.88 1.26 0.00 2.00 -0.00 -1.38 0.42 117.51 118.93 2kk7 h ILE 11 Ca -0.00 -1.12 -0.09 0.00 -0.00 0.00 0.00 64.86 63.65 2kk7 h ILE 11 Cb 0.76 0.89 -0.01 0.00 -0.00 0.00 0.00 36.82 38.46 2kk7 h ILE 11 CO 0.00 0.40 -0.41 0.50 -0.00 0.00 0.00 178.15 178.64 2kk7 h LYS 12 N 0.83 0.00 0.00 0.16 3.11 -1.01 -2.99 116.57 116.67 2kk7 h LYS 12 Ca 0.15 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.85 2kk7 h LYS 12 Cb 0.54 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 2kk7 h LYS 12 CO 0.03 0.41 -1.36 0.43 -2.81 0.00 0.00 179.45 176.15 2kk7 n SER 13 N -3.70 0.83 0.10 4.20 7.64 -0.83 -3.44 113.62 118.42 2kk7 n SER 13 Ca -0.01 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.19 2kk7 n SER 13 Cb 0.49 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.94 2kk7 n SER 13 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kk7 h LYS 14 N 0.00 -0.24 -0.95 1.43 3.11 -0.02 0.33 116.57 120.22 2kk7 h LYS 14 Ca -0.14 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.76 2kk7 h LYS 14 Cb 1.47 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 32.70 2kk7 h LYS 14 CO 0.04 -0.16 0.63 0.82 -2.81 0.00 0.00 179.45 177.96 2kk7 h ILE 15 N -0.27 1.16 0.80 2.00 5.03 -1.76 0.49 117.51 124.97 2kk7 h ILE 15 Ca -0.03 -0.41 -0.04 0.00 -0.12 0.00 0.00 64.86 64.26 2kk7 h ILE 15 Cb 0.19 -0.14 0.01 0.00 -3.03 0.00 0.00 36.82 33.84 2kk7 h ILE 15 CO 0.04 0.22 -0.39 -0.07 -0.68 0.00 0.00 178.15 177.28 2kk7 h LEU 16 N 1.20 -0.91 -1.10 1.44 3.38 -1.58 0.33 115.31 118.07 2kk7 h LEU 16 Ca 0.38 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 2kk7 h LEU 16 Cb 0.01 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2kk7 h LEU 16 CO -0.12 -0.59 0.19 -0.78 0.09 0.00 0.00 178.44 177.23 2kk7 h ASP 17 N -1.19 0.76 0.01 -0.43 1.82 -0.19 -2.00 116.42 115.20 2kk7 h ASP 17 Ca -0.11 -0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2kk7 h ASP 17 Cb 0.84 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2kk7 h ASP 17 CO 0.18 0.71 -0.00 -0.78 -1.61 0.00 0.00 179.24 177.74 2kk7 h ASP 18 N 0.81 -0.01 0.57 2.28 3.58 0.07 -1.12 116.42 122.60 2kk7 h ASP 18 Ca 0.19 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2kk7 h ASP 18 Cb 0.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kk7 h ASP 18 CO -0.01 0.28 -0.40 0.00 -2.88 0.00 0.00 179.24 176.23 2kk7 h ALA 19 N 0.69 -1.17 -0.89 -0.78 0.00 -0.18 0.38 119.26 117.32 2kk7 h ALA 19 Ca -0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 2kk7 h ALA 19 Cb 0.29 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2kk7 h ALA 19 CO 0.00 -1.15 0.58 1.57 0.00 0.00 0.00 179.25 180.26 2kk7 h LYS 20 N -0.92 0.45 -0.49 0.00 5.09 -1.45 0.16 116.57 119.41 2kk7 h LYS 20 Ca -0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 60.65 60.54 2kk7 h LYS 20 Cb 0.75 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 32.96 2kk7 h LYS 20 CO 0.05 0.30 -0.07 0.00 -2.09 0.00 0.00 179.45 177.64 2kk7 h ALA 21 N 1.62 0.67 -0.96 0.07 0.00 -0.76 0.19 119.26 120.08 2kk7 h ALA 21 Ca 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kk7 h ALA 21 Cb 1.05 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2kk7 h ALA 21 CO -0.18 0.54 0.61 1.49 0.00 0.00 0.00 179.25 181.70 2kk7 h GLU 22 N 0.77 1.29 0.00 0.00 4.81 0.11 0.25 114.58 121.81 2kk7 h GLU 22 Ca 0.13 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2kk7 h GLU 22 Cb 0.62 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2kk7 h GLU 22 CO 0.04 0.88 -0.24 0.00 -0.73 0.00 0.00 179.01 178.96 2kk7 h ALA 23 N 1.33 0.85 0.00 2.92 0.00 -1.29 -2.50 119.26 120.57 2kk7 h ALA 23 Ca 0.35 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2kk7 h ALA 23 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kk7 h ALA 23 CO -0.07 0.26 -0.92 -0.91 0.00 0.00 0.00 179.25 177.62 2kk7 h ASN 24 N 0.00 0.00 0.97 0.00 2.35 -0.15 -2.94 115.58 115.80 2kk7 h ASN 24 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kk7 h ASN 24 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2kk7 h ASN 24 CO 0.03 0.58 -1.03 1.17 -1.65 0.00 0.00 177.43 176.53 2kk7 n LYS 25 N -3.10 0.60 0.06 0.81 3.00 0.82 -3.52 118.16 116.82 2kk7 n LYS 25 Ca -0.03 0.11 -0.01 0.00 -0.00 0.00 0.00 58.31 58.39 2kk7 n LYS 25 Cb 0.80 -1.82 -0.06 0.00 0.00 0.00 0.00 35.03 33.95 2kk7 n LYS 25 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 2kk7 h ILE 26 N 0.00 0.72 0.02 3.15 6.09 -1.52 -2.68 117.51 123.29 2kk7 h ILE 26 Ca 0.00 -2.23 -0.22 0.00 -1.37 0.00 0.00 64.86 61.04 2kk7 h ILE 26 Cb 1.00 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 40.49 2kk7 h ILE 26 CO 0.00 0.41 -1.01 0.16 -3.07 0.00 0.00 178.15 174.64 2kk7 h ILE 27 N 0.00 1.64 0.00 2.19 -0.00 -1.64 -2.90 117.51 116.80 2kk7 h ILE 27 Ca -0.12 -3.21 -0.06 0.00 -0.00 0.00 0.00 64.86 61.47 2kk7 h ILE 27 Cb 1.59 2.79 -0.01 0.00 -0.00 0.00 0.00 36.82 41.19 2kk7 h ILE 27 CO 0.06 0.92 -0.39 -1.28 -0.00 0.00 0.00 178.15 177.47 2kk7 h SER 28 N 0.02 0.00 -0.06 2.16 0.87 -1.67 -2.57 113.55 112.30 2kk7 h SER 28 Ca -0.04 -0.57 0.02 0.00 -1.23 0.00 0.00 61.79 59.97 2kk7 h SER 28 Cb 1.74 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2kk7 h SER 28 CO 0.14 1.01 0.10 -0.08 -0.53 0.00 0.00 176.83 177.46 2kk7 h GLU 29 N -1.00 0.00 0.00 2.24 4.22 -1.63 0.37 114.58 118.78 2kk7 h GLU 29 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2kk7 h GLU 29 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kk7 h GLU 29 CO -0.06 0.00 -0.09 0.00 -2.18 0.00 0.00 179.01 176.68 2kk7 h ALA 30 N 1.86 0.00 -0.89 2.92 0.00 -1.62 -3.19 119.26 118.34 2kk7 h ALA 30 Ca 0.03 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.02 2kk7 h ALA 30 Cb 0.22 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2kk7 h ALA 30 CO -0.00 0.09 0.64 1.05 0.00 0.00 0.00 179.25 181.03 2kk7 h GLU 31 N -0.38 0.03 0.00 0.00 -0.00 -1.40 0.16 114.58 112.99 2kk7 h GLU 31 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kk7 h GLU 31 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 2kk7 h GLU 31 CO 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 179.01 179.03 2kk7 n ALA 32 N -2.70 -0.29 -0.33 1.06 0.00 0.11 -1.21 120.51 117.15 2kk7 n ALA 32 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 2kk7 n ALA 32 Cb 0.94 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.63 2kk7 n ALA 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kk7 h GLU 33 N 0.00 0.81 0.66 0.00 4.11 -1.48 -0.54 114.58 118.15 2kk7 h GLU 33 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 2kk7 h GLU 33 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2kk7 h GLU 33 CO 0.00 0.54 -0.38 -0.22 0.07 0.00 0.00 179.01 179.01 2kk7 h LYS 34 N 0.84 -0.93 0.00 1.06 3.64 -0.77 0.23 116.57 120.64 2kk7 h LYS 34 Ca 0.49 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2kk7 h LYS 34 Cb 0.59 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2kk7 h LYS 34 CO -0.31 -0.62 0.07 0.00 -2.27 0.00 0.00 179.45 176.33 2kk7 h ALA 35 N -1.38 1.06 0.00 5.00 0.00 -0.83 0.39 119.26 123.49 2kk7 h ALA 35 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kk7 h ALA 35 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kk7 h ALA 35 CO 0.10 -0.06 -0.29 0.87 0.00 0.00 0.00 179.25 179.87 2kk7 h LYS 36 N 0.00 0.00 0.00 0.00 6.56 -0.32 -3.15 116.57 119.66 2kk7 h LYS 36 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 2kk7 h LYS 36 Cb 0.15 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 2kk7 h LYS 36 CO 0.00 0.65 -0.58 -0.84 -2.06 0.00 0.00 179.45 176.62 2kk7 h ILE 37 N -1.00 1.39 -0.40 1.86 3.07 -0.03 0.20 117.51 122.59 2kk7 h ILE 37 Ca -0.07 -2.02 -0.10 0.00 1.55 0.00 0.00 64.86 64.23 2kk7 h ILE 37 Cb 0.76 2.10 -0.02 0.00 -0.27 0.00 0.00 36.82 39.39 2kk7 h ILE 37 CO -0.04 0.57 -0.14 -0.07 -1.05 0.00 0.00 178.15 177.42 2kk7 h LEU 38 N 0.00 0.73 0.00 0.16 -0.00 -0.40 0.40 115.31 116.20 2kk7 h LEU 38 Ca -0.01 -0.23 -0.26 0.00 -0.00 0.00 0.00 57.88 57.38 2kk7 h LEU 38 Cb 1.05 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.47 2kk7 h LEU 38 CO 0.08 0.89 -1.68 -0.62 -0.00 0.00 0.00 178.44 177.10 2kk7 n GLU 39 N -4.15 0.63 -0.01 1.13 -0.58 -1.16 -2.92 120.64 113.58 2kk7 n GLU 39 Ca 0.01 0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.84 2kk7 n GLU 39 Cb 0.38 -1.78 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 2kk7 n GLU 39 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2kk7 h LYS 40 N 0.00 0.21 0.14 3.49 3.64 -0.53 -2.90 116.57 120.61 2kk7 h LYS 40 Ca -0.27 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2kk7 h LYS 40 Cb 1.92 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 2kk7 h LYS 40 CO 0.07 1.03 -0.07 0.00 -2.27 0.00 0.00 179.45 178.21 2kk7 h ALA 41 N 0.19 -0.19 -0.62 5.00 0.00 -0.37 0.26 119.26 123.52 2kk7 h ALA 41 Ca -0.06 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.80 2kk7 h ALA 41 Cb 1.20 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2kk7 h ALA 41 CO 0.08 -0.36 0.44 -0.22 0.00 0.00 0.00 179.25 179.19 2kk7 h LYS 42 N -0.67 0.08 0.00 0.00 3.64 -1.65 0.37 116.57 118.34 2kk7 h LYS 42 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kk7 h LYS 42 Cb 0.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2kk7 h LYS 42 CO 0.03 0.05 -0.21 0.93 -2.27 0.00 0.00 179.45 177.98 2kk7 h GLU 43 N 0.08 0.00 -0.92 1.90 5.08 -1.44 -3.15 114.58 116.13 2kk7 h GLU 43 Ca 0.30 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.90 2kk7 h GLU 43 Cb 1.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2kk7 h GLU 43 CO -0.03 0.00 0.63 1.05 -1.00 0.00 0.00 179.01 179.67 2kk7 h GLU 44 N -0.81 0.21 0.13 2.33 4.11 -0.34 0.29 114.58 120.51 2kk7 h GLU 44 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2kk7 h GLU 44 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kk7 h GLU 44 CO 0.00 0.14 -0.06 0.00 0.07 0.00 0.00 179.01 179.15 2kk7 h ALA 45 N 1.58 -0.66 -0.18 1.06 0.00 -0.41 0.31 119.26 120.97 2kk7 h ALA 45 Ca 0.47 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2kk7 h ALA 45 Cb 1.48 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2kk7 h ALA 45 CO -0.11 -0.65 0.21 1.05 0.00 0.00 0.00 179.25 179.75 2kk7 h GLU 46 N -0.26 0.00 0.00 0.00 -0.00 -1.43 -2.07 114.58 110.81 2kk7 h GLU 46 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 2kk7 h GLU 46 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 2kk7 h GLU 46 CO 0.03 0.00 -0.02 -0.22 -0.00 0.00 0.00 179.01 178.80 2kk7 h LYS 47 N 0.00 0.01 -5.28 1.06 3.11 -0.42 -3.43 116.57 111.62 2kk7 h LYS 47 Ca 0.08 -0.01 -0.65 0.00 -2.81 0.00 0.00 60.65 57.26 2kk7 h LYS 47 Cb 0.51 0.01 -0.15 0.00 -1.00 0.00 0.00 32.23 31.60 2kk7 h LYS 47 CO -0.00 0.95 -0.01 0.50 -2.81 0.00 0.00 179.45 178.09 2kk7 s ARG 48 N -2.44 3.57 1.11 1.90 3.00 0.11 -4.96 118.95 121.23 2kk7 s ARG 48 Ca -0.19 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 54.37 2kk7 s ARG 48 Cb -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 34.95 31.09 2kk7 s ARG 48 CO 0.69 -0.71 0.00 1.17 0.00 0.00 0.00 175.30 176.45 2kk7 n LYS 49 N 5.84 0.00 -3.68 5.12 4.81 -1.26 -4.67 118.16 124.32 2kk7 n LYS 49 Ca -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 2kk7 n LYS 49 Cb 0.49 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.48 2kk7 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kk7 s ALA 50 N -1.52 -0.89 -0.04 3.14 0.00 -1.26 -4.55 121.76 116.64 2kk7 s ALA 50 Ca 0.00 0.09 0.20 0.00 0.00 0.00 0.00 51.96 52.25 2kk7 s ALA 50 Cb 0.00 0.47 0.36 0.00 0.00 0.00 0.00 23.12 23.96 2kk7 s ALA 50 CO 0.00 -0.52 1.15 -0.85 0.00 0.00 0.00 175.76 175.54 2kk7 n GLU 51 N 0.22 0.28 0.00 0.00 0.28 -1.26 -5.17 120.64 114.99 2kk7 n GLU 51 Ca -0.17 -2.07 0.13 0.00 -0.16 0.00 0.00 57.16 54.88 2kk7 n GLU 51 Cb 0.61 -0.36 0.25 0.00 1.43 0.00 0.00 31.44 33.37 2kk7 n GLU 51 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41