#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3g s ASP 23 N 0.00 6.61 0.22 4.52 -1.08 -1.26 -4.91 116.67 120.78 1k3g s ASP 23 Ca 0.00 0.69 -0.07 0.00 -0.52 0.00 0.00 52.55 52.65 1k3g s ASP 23 Cb 0.00 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.27 1k3g s ASP 23 CO 0.00 -1.23 1.74 0.00 0.52 0.00 0.00 175.17 176.20 1k3g h ALA 24 N 9.40 0.91 -0.08 3.66 0.00 -1.92 -0.22 119.26 131.02 1k3g h ALA 24 Ca -0.24 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1k3g h ALA 24 Cb 1.07 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k3g h ALA 24 CO 1.10 -0.18 0.02 0.93 0.00 0.00 0.00 179.25 181.11 1k3g h GLU 25 N 0.44 0.13 -0.43 0.00 5.08 -1.93 -0.94 114.58 116.92 1k3g h GLU 25 Ca 0.35 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1k3g h GLU 25 Cb 0.48 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1k3g h GLU 25 CO -0.35 0.31 0.10 0.00 -1.00 0.00 0.00 179.01 178.08 1k3g h ALA 26 N 0.81 0.48 0.26 3.43 0.00 -1.85 0.15 119.26 122.55 1k3g h ALA 26 Ca 0.02 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 26 Cb 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1k3g h ALA 26 CO 0.00 -0.30 -0.31 0.28 0.00 0.00 0.00 179.25 178.92 1k3g h VAL 27 N 0.24 0.35 -0.31 0.00 2.07 -0.83 -2.02 116.25 115.76 1k3g h VAL 27 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1k3g h VAL 27 Cb 0.25 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1k3g h VAL 27 CO -0.26 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 177.89 1k3g h VAL 28 N -0.62 0.75 0.00 2.57 2.07 -0.64 0.17 116.25 120.56 1k3g h VAL 28 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1k3g h VAL 28 Cb 0.58 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1k3g h VAL 28 CO -0.09 0.01 0.27 0.00 0.02 0.00 0.00 177.57 177.78 1k3g n GLN 29 N -5.19 0.09 -2.70 1.57 1.13 0.49 -1.05 117.38 111.72 1k3g n GLN 29 Ca 0.00 0.58 -0.07 0.00 -1.94 0.00 0.00 57.00 55.57 1k3g n GLN 29 Cb 0.17 -2.08 0.04 0.00 0.11 0.00 0.00 30.24 28.48 1k3g n GLN 29 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1k3g n GLN 30 N -2.07 1.27 0.00 -1.09 0.00 0.47 -4.83 117.38 111.13 1k3g n GLN 30 Ca -0.01 -3.16 0.00 0.00 -0.00 0.00 0.00 57.00 53.83 1k3g n GLN 30 Cb 0.29 -1.20 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1k3g n LYS 31 N -0.24 0.00 -0.10 3.69 4.01 -0.38 -4.94 118.16 120.21 1k3g n LYS 31 Ca 0.07 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.63 1k3g n LYS 31 Cb 0.82 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 35.23 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k3g h ILE 33 N -0.84 0.61 -1.17 0.00 -0.00 -1.53 0.74 117.51 115.32 1k3g h ILE 33 Ca -0.47 -0.04 0.43 0.00 -0.00 0.00 0.00 64.86 64.77 1k3g h ILE 33 Cb 1.50 0.47 -0.14 0.00 -0.00 0.00 0.00 36.82 38.65 1k3g h ILE 33 CO -0.24 0.02 0.72 -1.20 -0.00 0.00 0.00 178.15 177.46 1k3g n SER 34 N -4.36 0.24 0.00 2.16 7.64 -1.26 -0.16 113.62 117.88 1k3g n SER 34 Ca 0.18 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1k3g n SER 34 Cb 0.85 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1k3g n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3g n HIS 36 N -2.44 0.00 0.00 0.00 8.25 0.09 -0.20 115.22 120.92 1k3g n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1k3g n HIS 36 Cb 0.47 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1k3g n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k3g n GLY 37 N 0.25 -1.71 0.50 -1.41 0.00 0.78 -0.99 105.19 102.60 1k3g n GLY 37 Ca 0.06 -1.37 0.39 0.00 0.00 0.00 0.00 46.02 45.10 1k3g n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3g h GLY 38 N 0.00 1.13 0.20 -0.02 0.00 -1.95 0.32 103.07 102.75 1k3g h GLY 38 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1k3g h GLY 38 CO 0.00 -0.36 -0.65 1.22 0.00 0.00 0.00 176.54 176.75 1k3g n ASP 39 N -4.60 1.00 0.00 0.19 9.92 -1.26 -4.95 116.55 116.86 1k3g n ASP 39 Ca 0.38 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 1k3g n ASP 39 Cb 1.52 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 42.56 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k3g n LEU 40 N -1.15 0.38 -0.19 0.64 4.77 0.10 -4.84 117.00 116.71 1k3g n LEU 40 Ca 0.06 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1k3g n LEU 40 Cb 0.36 -1.05 0.76 0.00 -2.33 0.00 0.00 43.42 41.16 1k3g n LEU 40 CO 0.36 -0.32 1.00 0.35 -1.33 0.00 0.00 177.39 177.45 1k3g n THR 41 N -2.42 0.01 0.00 -5.08 -2.24 -1.18 -1.89 114.28 101.47 1k3g n THR 41 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1k3g n THR 41 Cb 0.13 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1k3g n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3g n GLY 42 N 1.06 -0.53 0.39 3.38 0.00 -0.16 -4.22 105.19 105.11 1k3g n GLY 42 Ca 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1k3g n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g n ALA 43 N 0.09 0.40 0.82 4.61 0.00 -1.18 -4.59 120.51 120.66 1k3g n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1k3g n ALA 43 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1k3g n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k3g n SER 44 N -1.30 2.83 -3.87 0.00 7.64 0.72 -4.96 113.62 114.69 1k3g n SER 44 Ca 0.00 -1.90 -0.09 0.00 1.01 0.00 0.00 58.87 57.88 1k3g n SER 44 Cb 0.00 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1k3g n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k3g s ALA 45 N -1.77 -0.24 0.82 -0.43 0.00 -0.93 -4.92 121.76 114.30 1k3g s ALA 45 Ca 0.34 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1k3g s ALA 45 Cb 0.21 0.66 0.09 0.00 0.00 0.00 0.00 23.12 24.07 1k3g s ALA 45 CO 0.31 -0.58 1.09 -1.25 0.00 0.00 0.00 175.76 175.32 1k3g s PRO 46 N -3.89 1.85 -0.32 0.00 0.04 -1.26 -4.22 135.00 127.18 1k3g s PRO 46 Ca 0.09 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 1k3g s PRO 46 Cb 0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1k3g s PRO 46 CO -0.07 -1.85 1.37 0.00 0.04 0.00 0.00 177.00 176.49 1k3g s ALA 47 N -2.98 3.26 -2.80 8.56 0.00 -1.26 -4.26 121.76 122.29 1k3g s ALA 47 Ca 0.62 0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.89 1k3g s ALA 47 Cb -0.17 -3.83 0.45 0.00 0.00 0.00 0.00 23.12 19.57 1k3g s ALA 47 CO 0.56 -1.97 1.41 0.44 0.00 0.00 0.00 175.76 176.20 1k3g n ILE 48 N 6.48 0.06 -0.32 0.00 -5.35 -0.83 -4.39 119.36 115.01 1k3g n ILE 48 Ca 0.16 -0.45 0.25 0.00 -0.27 0.00 0.00 62.75 62.44 1k3g n ILE 48 Cb 0.47 1.16 0.57 0.00 -1.74 0.00 0.00 39.64 40.09 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1k3g h ASP 49 N 4.00 0.34 -0.73 7.28 3.58 -1.71 0.15 116.42 129.33 1k3g h ASP 49 Ca 0.00 0.06 -0.52 0.00 0.42 0.00 0.00 57.03 57.00 1k3g h ASP 49 Cb 0.85 0.01 -0.35 0.00 1.72 0.00 0.00 39.33 41.56 1k3g h ASP 49 CO 0.00 0.06 -0.41 2.29 -2.88 0.00 0.00 179.24 178.31 1k3g n LYS 50 N -4.53 3.18 0.26 0.28 2.85 -1.26 -2.60 118.16 116.34 1k3g n LYS 50 Ca 0.25 -3.87 -0.15 0.00 -1.05 0.00 0.00 58.31 53.49 1k3g n LYS 50 Cb 0.95 -2.21 -0.08 0.00 -0.65 0.00 0.00 35.03 33.04 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k3g h ALA 51 N 1.99 -0.64 -0.41 0.58 0.00 -0.90 -3.15 119.26 116.72 1k3g h ALA 51 Ca 0.39 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1k3g h ALA 51 Cb 1.38 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1k3g h ALA 51 CO 0.86 -0.77 0.39 0.78 0.00 0.00 0.00 179.25 180.51 1k3g h GLY 52 N -0.83 0.00 0.93 0.00 0.00 -1.52 0.26 103.07 101.91 1k3g h GLY 52 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1k3g h GLY 52 CO 0.11 0.00 0.58 0.00 0.00 0.00 0.00 176.54 177.22 1k3g h ALA 53 N 1.62 1.50 0.00 3.60 0.00 -1.49 -3.38 119.26 121.11 1k3g h ALA 53 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1k3g h ALA 53 Cb 0.97 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1k3g h ALA 53 CO -0.00 0.38 -0.91 0.09 0.00 0.00 0.00 179.25 178.81 1k3g n ASN 54 N -4.47 1.52 -4.86 0.00 3.02 0.17 -5.04 115.26 105.60 1k3g n ASN 54 Ca 0.13 0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 1k3g n ASN 54 Cb 0.16 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1k3g n ASN 54 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k3g s TYR 55 N -2.50 3.43 0.42 3.10 2.02 0.68 -5.10 117.35 119.41 1k3g s TYR 55 Ca -0.19 0.98 0.01 0.00 -0.37 0.00 0.00 57.07 57.50 1k3g s TYR 55 Cb 0.04 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 1k3g s TYR 55 CO 0.27 0.24 0.63 -1.12 -1.57 0.00 0.00 175.55 174.00 1k3g s SER 56 N -2.27 5.90 0.09 2.29 0.01 -1.26 -3.91 113.70 114.54 1k3g s SER 56 Ca 0.48 0.24 -0.18 0.00 1.31 0.00 0.00 55.95 57.80 1k3g s SER 56 Cb -0.11 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 1k3g s SER 56 CO 0.20 -0.62 1.30 -0.08 0.41 0.00 0.00 173.24 174.45 1k3g h GLU 57 N 0.50 -0.03 -0.96 12.44 4.22 -1.93 0.14 114.58 128.96 1k3g h GLU 57 Ca -0.46 0.00 0.25 0.00 0.08 0.00 0.00 59.36 59.23 1k3g h GLU 57 Cb 1.25 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 1k3g h GLU 57 CO 0.57 -0.02 -0.00 0.93 -2.18 0.00 0.00 179.01 178.31 1k3g h GLU 58 N -0.03 0.02 -0.11 1.92 4.39 -1.95 0.27 114.58 119.09 1k3g h GLU 58 Ca 0.08 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1k3g h GLU 58 Cb 0.25 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1k3g h GLU 58 CO -0.50 0.01 -0.10 0.93 -1.16 0.00 0.00 179.01 178.20 1k3g h GLU 59 N 0.02 0.26 -0.53 2.33 4.39 -1.19 0.06 114.58 119.92 1k3g h GLU 59 Ca 0.56 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 1k3g h GLU 59 Cb 1.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1k3g h GLU 59 CO -0.90 0.66 0.30 0.82 -1.16 0.00 0.00 179.01 178.73 1k3g h ILE 60 N -0.13 1.18 0.03 3.13 2.04 0.30 -0.34 117.51 123.71 1k3g h ILE 60 Ca 0.02 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1k3g h ILE 60 Cb 0.61 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1k3g h ILE 60 CO 0.03 0.19 -0.21 0.25 0.00 0.00 0.00 178.15 178.40 1k3g h LEU 61 N 0.71 -0.62 -0.40 1.44 5.85 -0.41 0.12 115.31 122.01 1k3g h LEU 61 Ca 0.19 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1k3g h LEU 61 Cb 0.04 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 1k3g h LEU 61 CO -0.03 -0.28 -0.22 -0.78 -0.34 0.00 0.00 178.44 176.78 1k3g h ASP 62 N -0.36 -0.76 -0.75 1.25 3.58 -0.56 0.18 116.42 119.01 1k3g h ASP 62 Ca 0.05 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1k3g h ASP 62 Cb 0.42 0.39 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1k3g h ASP 62 CO -0.17 -0.25 0.48 0.40 -2.88 0.00 0.00 179.24 176.82 1k3g h ILE 63 N -0.15 1.20 -0.29 2.25 2.04 -0.46 -0.42 117.51 121.68 1k3g h ILE 63 Ca 0.19 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1k3g h ILE 63 Cb 0.46 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1k3g h ILE 63 CO -0.49 0.20 0.16 0.40 0.00 0.00 0.00 178.15 178.42 1k3g h ILE 64 N 1.03 1.13 -0.12 -0.67 2.04 0.62 -1.91 117.51 119.63 1k3g h ILE 64 Ca 0.28 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1k3g h ILE 64 Cb -0.09 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1k3g h ILE 64 CO -0.06 0.13 -0.30 -0.07 0.00 0.00 0.00 178.15 177.85 1k3g h LEU 65 N 0.35 0.23 -3.13 1.44 3.38 0.90 0.13 115.31 118.61 1k3g h LEU 65 Ca 0.10 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1k3g h LEU 65 Cb 0.06 -0.06 -0.37 0.00 0.09 0.00 0.00 40.66 40.37 1k3g h LEU 65 CO -0.02 0.53 -1.02 -0.46 0.09 0.00 0.00 178.44 177.56 1k3g n ASN 66 N -4.12 1.07 0.00 -0.43 0.23 -0.57 -2.37 115.26 109.07 1k3g n ASN 66 Ca -0.01 -2.09 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1k3g n ASN 66 Cb 0.40 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1k3g n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k3g n GLY 67 N 0.36 0.88 0.00 4.83 0.00 -0.72 -4.73 105.19 105.82 1k3g n GLY 67 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1k3g n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k3g n GLN 68 N 9.21 0.00 0.00 1.61 7.27 -0.63 -4.58 117.38 130.26 1k3g n GLN 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1k3g n GLN 68 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1k3g n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k3g n GLY 69 N -0.24 0.65 0.23 1.69 0.00 -1.26 0.46 105.19 106.71 1k3g n GLY 69 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1k3g n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k3g h GLY 70 N 0.00 0.00 -4.92 -0.02 0.00 -2.01 -3.43 103.07 92.69 1k3g h GLY 70 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1k3g h GLY 70 CO 0.00 0.00 0.76 -0.29 0.00 0.00 0.00 176.54 177.01 1k3g s MET 71 N -4.22 4.31 0.05 4.80 0.00 0.17 -4.98 119.30 119.44 1k3g s MET 71 Ca -0.03 1.60 -0.30 0.00 0.00 0.00 0.00 55.69 56.96 1k3g s MET 71 Cb 0.14 -3.63 -0.18 0.00 0.00 0.00 0.00 34.83 31.16 1k3g s MET 71 CO 0.65 -0.53 1.47 -1.00 0.00 0.00 0.00 175.02 175.61 1k3g h PRO 72 N 7.64 -0.78 0.00 4.11 0.13 -1.84 -1.67 132.00 139.60 1k3g h PRO 72 Ca -0.30 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1k3g h PRO 72 Cb 1.13 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1k3g h PRO 72 CO 0.92 -0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 1k3g n GLY 73 N -1.11 3.35 2.28 1.56 0.00 -1.26 -4.35 105.19 105.66 1k3g n GLY 73 Ca -0.12 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1k3g n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 74 N -0.27 0.33 0.23 -0.02 0.00 0.03 -4.67 105.19 100.82 1k3g n GLY 74 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 1k3g n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k3g h ILE 75 N 0.00 0.49 -2.28 -0.61 1.08 -1.86 -3.40 117.51 110.93 1k3g h ILE 75 Ca -0.29 0.00 -0.56 0.00 -0.39 0.00 0.00 64.86 63.62 1k3g h ILE 75 Cb 1.10 0.49 -0.09 0.00 -3.07 0.00 0.00 36.82 35.24 1k3g h ILE 75 CO 0.37 0.00 -0.64 0.00 -0.69 0.00 0.00 178.15 177.19 1k3g s ALA 76 N -6.14 3.19 0.07 1.87 0.00 -1.26 -5.06 121.76 114.43 1k3g s ALA 76 Ca -0.14 -1.61 -0.08 0.00 0.00 0.00 0.00 51.96 50.13 1k3g s ALA 76 Cb 0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1k3g s ALA 76 CO 0.69 0.29 0.16 0.15 0.00 0.00 0.00 175.76 177.05 1k3g s LYS 77 N -3.61 0.76 3.43 0.00 1.02 -1.26 -4.44 119.74 115.64 1k3g s LYS 77 Ca 0.31 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1k3g s LYS 77 Cb -0.07 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1k3g s LYS 77 CO 0.20 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 1k3g n GLY 78 N 0.24 0.59 0.37 -3.33 0.00 -1.26 -3.35 105.19 98.45 1k3g n GLY 78 Ca -0.16 -0.80 0.25 0.00 0.00 0.00 0.00 46.02 45.31 1k3g n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g h ALA 79 N -0.77 2.12 -0.32 4.61 0.00 -2.00 0.38 119.26 123.29 1k3g h ALA 79 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 79 Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1k3g h ALA 79 CO 0.00 -0.68 -0.24 1.49 0.00 0.00 0.00 179.25 179.82 1k3g h GLU 80 N 0.33 -0.20 -0.06 0.00 4.81 -1.94 0.56 114.58 118.08 1k3g h GLU 80 Ca 0.71 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.92 1k3g h GLU 80 Cb 1.74 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1k3g h GLU 80 CO -0.50 -0.14 -0.11 0.00 -0.73 0.00 0.00 179.01 177.54 1k3g h ALA 81 N 0.90 0.09 -0.25 2.92 0.00 -0.37 -3.12 119.26 119.44 1k3g h ALA 81 Ca 0.16 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1k3g h ALA 81 Cb 0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1k3g h ALA 81 CO -0.44 -0.04 -0.11 0.93 0.00 0.00 0.00 179.25 179.60 1k3g h GLU 82 N -0.32 -0.06 -0.28 0.00 5.08 -0.85 0.10 114.58 118.25 1k3g h GLU 82 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1k3g h GLU 82 Cb 0.69 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1k3g h GLU 82 CO 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 179.01 177.97 1k3g h ALA 83 N 1.16 0.22 0.17 3.43 0.00 -0.99 -0.35 119.26 122.90 1k3g h ALA 83 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 83 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1k3g h ALA 83 CO -0.30 -0.44 -0.16 0.28 0.00 0.00 0.00 179.25 178.63 1k3g h VAL 84 N 0.05 0.64 -0.42 0.00 2.07 -1.30 -0.08 116.25 117.21 1k3g h VAL 84 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 84 Cb 0.19 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 1k3g h VAL 84 CO -0.25 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.11 1k3g h ALA 85 N 0.43 0.03 0.18 1.67 0.00 -0.47 0.26 119.26 121.37 1k3g h ALA 85 Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 85 Cb 0.34 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1k3g h ALA 85 CO -0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 179.25 178.52 1k3g h ALA 86 N 1.06 -0.25 -0.77 0.00 0.00 -0.82 0.21 119.26 118.69 1k3g h ALA 86 Ca 0.20 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 86 Cb 0.47 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1k3g h ALA 86 CO -0.51 -0.62 0.41 2.35 0.00 0.00 0.00 179.25 180.88 1k3g h TRP 87 N -0.29 0.75 -0.49 0.00 7.01 -0.70 -1.11 115.95 121.12 1k3g h TRP 87 Ca -0.03 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.92 1k3g h TRP 87 Cb 0.22 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 1k3g h TRP 87 CO -0.05 0.29 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.76 1k3g h LEU 88 N 0.69 0.83 -0.83 0.65 -0.00 -0.05 -1.59 115.31 115.02 1k3g h LEU 88 Ca 0.38 -0.23 0.13 0.00 -0.00 0.00 0.00 57.88 58.16 1k3g h LEU 88 Cb 0.37 -0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 40.72 1k3g h LEU 88 CO -0.26 0.92 0.43 0.00 -0.00 0.00 0.00 178.44 179.53 1k3g h ALA 89 N 1.16 1.22 -0.19 1.53 0.00 0.62 0.13 119.26 123.74 1k3g h ALA 89 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1k3g h ALA 89 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1k3g h ALA 89 CO 0.03 -0.06 0.03 0.39 0.00 0.00 0.00 179.25 179.64 1k3g n GLU 90 N -4.85 2.02 -5.07 0.00 1.02 -0.65 -4.52 120.64 108.59 1k3g n GLU 90 Ca 0.16 -0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 56.06 1k3g n GLU 90 Cb 0.39 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1k3g s LYS 91 N -1.43 2.38 0.00 3.49 1.02 0.45 -5.02 119.74 120.63 1k3g s LYS 91 Ca 0.16 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1k3g s LYS 91 Cb 0.12 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1k3g s LYS 91 CO 0.04 0.57 0.00 1.63 -0.92 0.00 0.00 175.35 176.68