#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 5.63 0.25 4.52 1.11 -1.26 -4.79 116.67 122.13 1k3g s ASP 23 Ca 0.00 -0.20 -0.13 0.00 0.18 0.00 0.00 52.55 52.40 1k3g s ASP 23 Cb 0.00 -2.55 0.34 0.00 1.07 0.00 0.00 42.92 41.78 1k3g s ASP 23 CO 0.00 -2.19 1.56 0.00 1.18 0.00 0.00 175.17 175.72 1k3g h ALA 24 N 12.50 0.40 -0.48 5.23 0.00 -1.89 0.20 119.26 135.22 1k3g h ALA 24 Ca -0.18 0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1k3g h ALA 24 Cb 1.09 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1k3g h ALA 24 CO 1.26 -0.50 0.23 0.93 0.00 0.00 0.00 179.25 181.17 1k3g h GLU 25 N -0.01 0.44 -0.59 0.00 5.08 -1.93 0.44 114.58 118.01 1k3g h GLU 25 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1k3g h GLU 25 Cb 0.65 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1k3g h GLU 25 CO -0.97 0.29 0.34 0.00 -1.00 0.00 0.00 179.01 177.68 1k3g h ALA 26 N 1.27 0.75 0.79 3.43 0.00 -1.09 0.14 119.26 124.55 1k3g h ALA 26 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1k3g h ALA 26 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 26 CO -0.17 0.24 -0.44 0.28 0.00 0.00 0.00 179.25 179.17 1k3g h VAL 27 N 0.79 0.12 -0.54 0.00 2.07 -0.53 -2.77 116.25 115.38 1k3g h VAL 27 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1k3g h VAL 27 Cb 0.00 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 1k3g h VAL 27 CO -0.04 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.26 1k3g h VAL 28 N -1.14 0.70 -0.66 2.57 2.07 -0.68 0.21 116.25 119.33 1k3g h VAL 28 Ca -0.11 -0.09 0.19 0.00 0.82 0.00 0.00 66.70 67.51 1k3g h VAL 28 Cb 0.89 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1k3g h VAL 28 CO 0.14 0.05 0.70 1.56 0.02 0.00 0.00 177.57 180.04 1k3g h GLN 29 N 0.27 0.00 -1.59 1.57 1.08 -0.64 -0.08 115.11 115.72 1k3g h GLN 29 Ca 0.28 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 57.05 1k3g h GLN 29 Cb 0.38 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 27.42 1k3g h GLN 29 CO -0.35 0.00 -1.16 1.04 -0.95 0.00 0.00 178.83 177.41 1k3g n GLN 30 N -3.61 1.03 0.00 1.46 6.02 0.62 -4.73 117.38 118.16 1k3g n GLN 30 Ca 0.13 -3.26 0.00 0.00 -0.01 0.00 0.00 57.00 53.86 1k3g n GLN 30 Cb 0.93 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.68 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k3g n LYS 31 N 0.16 0.00 -0.13 -1.09 5.02 -0.49 -4.93 118.16 116.70 1k3g n LYS 31 Ca 0.19 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 1k3g n LYS 31 Cb 0.71 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.63 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3g h ILE 33 N -0.94 0.60 -1.33 0.00 -0.00 -1.34 0.44 117.51 114.94 1k3g h ILE 33 Ca -0.65 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 64.66 1k3g h ILE 33 Cb 1.57 0.84 -0.13 0.00 -0.00 0.00 0.00 36.82 39.10 1k3g h ILE 33 CO -0.40 0.00 0.86 -1.20 -0.00 0.00 0.00 178.15 177.41 1k3g n SER 34 N -4.02 0.19 0.00 2.16 7.64 -1.26 -0.16 113.62 118.16 1k3g n SER 34 Ca 0.02 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1k3g n SER 34 Cb 0.34 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.67 0.00 0.00 0.00 8.25 -0.03 -0.33 115.22 120.44 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 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.07 -0.73 0.44 -1.41 0.00 0.77 -0.84 105.19 103.49 1k3g n GLY 37 Ca 0.04 -1.46 0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 1.31 0.13 -0.02 0.00 -1.95 0.87 103.07 103.41 1k3g h GLY 38 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1k3g h GLY 38 CO 0.00 -0.32 -0.47 1.34 0.00 0.00 0.00 176.54 177.09 1k3g n ASP 39 N -4.69 1.11 -0.08 0.19 2.03 -1.26 -4.95 116.55 108.89 1k3g n ASP 39 Ca 0.33 -0.88 -0.01 0.00 0.52 0.00 0.00 54.79 54.74 1k3g n ASP 39 Cb 1.22 0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 41.98 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k3g n LEU 40 N -0.85 0.33 -0.31 -2.67 4.77 0.30 -4.85 117.00 113.71 1k3g n LEU 40 Ca 0.09 0.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1k3g n LEU 40 Cb 0.37 -1.43 0.63 0.00 -2.33 0.00 0.00 43.42 40.66 1k3g n LEU 40 CO 0.31 -0.46 0.93 0.35 -1.33 0.00 0.00 177.39 177.19 1k3g n THR 41 N -2.57 0.03 0.00 -5.08 -2.24 -1.17 -1.96 114.28 101.29 1k3g n THR 41 Ca -0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1k3g n THR 41 Cb 0.24 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.09 -1.51 0.76 3.38 0.00 -0.02 -4.34 105.19 104.56 1k3g n GLY 42 Ca 0.20 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.46 2.42 0.75 4.61 0.00 -1.11 -4.75 120.51 122.88 1k3g n ALA 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1k3g n ALA 43 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1k3g n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k3g n SER 44 N -1.63 2.71 -3.79 0.00 2.88 0.55 -4.98 113.62 109.36 1k3g n SER 44 Ca 0.00 -1.88 -0.09 0.00 -1.33 0.00 0.00 58.87 55.58 1k3g n SER 44 Cb 0.00 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1k3g n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k3g s ALA 45 N -1.67 -1.08 0.66 -1.46 0.00 -1.19 -4.95 121.76 112.06 1k3g s ALA 45 Ca 0.35 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1k3g s ALA 45 Cb 0.20 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 24.21 1k3g s ALA 45 CO 0.30 -0.92 1.09 -1.25 0.00 0.00 0.00 175.76 174.98 1k3g s PRO 46 N -3.90 2.88 -0.08 0.00 0.04 -1.26 -4.30 135.00 128.38 1k3g s PRO 46 Ca 0.11 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1k3g s PRO 46 Cb -0.03 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1k3g s PRO 46 CO 0.02 -1.18 1.30 0.00 0.04 0.00 0.00 177.00 177.18 1k3g s ALA 47 N -2.45 3.57 -2.28 8.56 0.00 -1.26 -4.45 121.76 123.46 1k3g s ALA 47 Ca 0.65 0.65 0.19 0.00 0.00 0.00 0.00 51.96 53.45 1k3g s ALA 47 Cb -0.19 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.52 1k3g s ALA 47 CO 0.42 -0.97 1.11 0.44 0.00 0.00 0.00 175.76 176.77 1k3g n ILE 48 N 4.92 0.07 -0.35 0.00 -5.35 -0.94 -4.50 119.36 113.21 1k3g n ILE 48 Ca 0.13 -0.53 0.32 0.00 -0.27 0.00 0.00 62.75 62.39 1k3g n ILE 48 Cb 0.45 1.33 0.58 0.00 -1.74 0.00 0.00 39.64 40.26 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 3.64 0.34 -0.39 7.28 3.58 -1.73 0.95 116.42 130.10 1k3g h ASP 49 Ca 0.00 0.23 -0.27 0.00 0.42 0.00 0.00 57.03 57.41 1k3g h ASP 49 Cb 0.78 0.22 -0.19 0.00 1.72 0.00 0.00 39.33 41.87 1k3g h ASP 49 CO 0.00 -0.34 -0.47 0.29 -2.88 0.00 0.00 179.24 175.83 1k3g n LYS 50 N -5.12 2.42 0.17 0.28 5.02 -1.26 -3.10 118.16 116.57 1k3g n LYS 50 Ca 0.37 -3.60 -0.14 0.00 -2.02 0.00 0.00 58.31 52.92 1k3g n LYS 50 Cb 1.27 -1.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.27 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k3g h ALA 51 N 1.47 -0.41 -0.06 7.82 0.00 -0.98 -3.08 119.26 124.03 1k3g h ALA 51 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 51 Cb 1.31 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1k3g h ALA 51 CO 0.42 -0.65 0.17 0.78 0.00 0.00 0.00 179.25 179.97 1k3g h GLY 52 N -0.57 0.00 1.13 0.00 0.00 -1.46 0.30 103.07 102.47 1k3g h GLY 52 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1k3g h GLY 52 CO 0.07 0.00 0.50 0.00 0.00 0.00 0.00 176.54 177.11 1k3g h ALA 53 N 1.71 1.29 0.00 3.60 0.00 -1.63 -3.39 119.26 120.85 1k3g h ALA 53 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1k3g h ALA 53 Cb 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1k3g h ALA 53 CO -0.00 0.60 -0.77 0.09 0.00 0.00 0.00 179.25 179.17 1k3g n ASN 54 N -4.37 1.59 -4.81 0.00 3.02 0.20 -5.02 115.26 105.87 1k3g n ASN 54 Ca 0.09 0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 1k3g n ASN 54 Cb 0.07 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.54 3.24 0.59 3.10 2.02 0.82 -5.09 117.35 119.49 1k3g s TYR 55 Ca -0.19 1.61 0.03 0.00 -0.37 0.00 0.00 57.07 58.15 1k3g s TYR 55 Cb 0.03 -2.93 0.07 0.00 -0.40 0.00 0.00 41.96 38.73 1k3g s TYR 55 CO 0.27 -0.32 0.82 -1.12 -1.57 0.00 0.00 175.55 173.64 1k3g s SER 56 N -2.06 5.00 0.11 2.29 0.01 -1.26 -4.00 113.70 113.78 1k3g s SER 56 Ca 0.63 -0.32 -0.26 0.00 1.31 0.00 0.00 55.95 57.31 1k3g s SER 56 Cb -0.12 -0.37 -0.09 0.00 0.21 0.00 0.00 66.02 65.65 1k3g s SER 56 CO 0.16 -1.36 1.66 -0.33 0.41 0.00 0.00 173.24 173.79 1k3g h GLU 57 N -0.03 -0.34 -0.58 12.44 3.07 -1.95 0.19 114.58 127.38 1k3g h GLU 57 Ca -0.38 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.63 1k3g h GLU 57 Cb 1.28 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 1k3g h GLU 57 CO 0.45 -0.23 0.40 0.93 -1.40 0.00 0.00 179.01 179.17 1k3g h GLU 58 N -0.35 0.22 0.02 2.33 4.39 -1.95 0.14 114.58 119.38 1k3g h GLU 58 Ca 0.03 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1k3g h GLU 58 Cb 0.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1k3g h GLU 58 CO -0.11 0.15 -0.01 0.93 -1.16 0.00 0.00 179.01 178.81 1k3g h GLU 59 N 0.23 -0.02 -0.55 2.33 4.39 -1.45 -0.94 114.58 118.56 1k3g h GLU 59 Ca 0.28 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1k3g h GLU 59 Cb 0.78 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1k3g h GLU 59 CO -0.05 0.71 0.25 0.82 -1.16 0.00 0.00 179.01 179.57 1k3g h ILE 60 N -0.82 1.21 -0.18 3.13 2.04 -0.64 -0.14 117.51 122.11 1k3g h ILE 60 Ca -0.00 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1k3g h ILE 60 Cb 0.75 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1k3g h ILE 60 CO 0.00 0.24 -0.07 0.25 0.00 0.00 0.00 178.15 178.58 1k3g h LEU 61 N 0.74 -0.23 -0.30 1.44 5.85 -0.79 0.11 115.31 122.13 1k3g h LEU 61 Ca 0.19 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1k3g h LEU 61 Cb 0.15 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1k3g h LEU 61 CO -0.02 -0.09 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.02 1k3g h ASP 62 N -0.04 -0.61 -0.09 1.25 1.82 -0.66 0.49 116.42 118.57 1k3g h ASP 62 Ca 0.09 0.13 0.02 0.00 -0.39 0.00 0.00 57.03 56.89 1k3g h ASP 62 Cb 0.18 0.32 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 1k3g h ASP 62 CO -0.20 -0.22 -0.06 0.40 -1.61 0.00 0.00 179.24 177.55 1k3g h ILE 63 N -0.15 0.83 -0.83 2.25 2.04 -0.31 0.36 117.51 121.69 1k3g h ILE 63 Ca 0.16 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.14 1k3g h ILE 63 Cb 0.39 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1k3g h ILE 63 CO -0.39 0.00 0.45 0.40 0.00 0.00 0.00 178.15 178.60 1k3g h ILE 64 N -0.06 0.80 -0.06 -0.67 2.04 -0.20 0.24 117.51 119.60 1k3g h ILE 64 Ca 0.06 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 1k3g h ILE 64 Cb 0.14 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1k3g h ILE 64 CO -0.13 0.12 -0.62 -0.07 0.00 0.00 0.00 178.15 177.45 1k3g h LEU 65 N 0.68 0.26 -2.86 1.44 3.38 0.20 -1.58 115.31 116.82 1k3g h LEU 65 Ca 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1k3g h LEU 65 Cb 0.54 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1k3g h LEU 65 CO -0.32 0.81 -0.07 0.59 0.09 0.00 0.00 178.44 179.54 1k3g n ASN 66 N -3.86 2.02 0.00 -0.43 3.02 0.12 -2.35 115.26 113.79 1k3g n ASN 66 Ca -0.02 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1k3g n ASN 66 Cb 0.63 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1k3g n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3g n GLY 67 N -1.24 1.15 0.00 7.41 0.00 0.76 -4.47 105.19 108.79 1k3g n GLY 67 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 7.74 0.00 0.00 1.61 7.27 -0.25 -4.58 117.38 129.17 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 -0.05 1.47 0.26 1.69 0.00 -1.26 0.27 105.19 107.58 1k3g n GLY 69 Ca 0.00 0.42 0.15 0.00 0.00 0.00 0.00 46.02 46.60 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 -5.14 -0.02 0.00 -2.02 -3.43 103.07 92.46 1k3g h GLY 70 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1k3g h GLY 70 CO 0.00 0.00 0.91 -0.29 0.00 0.00 0.00 176.54 177.16 1k3g s MET 71 N -3.65 4.23 -0.19 4.80 0.00 0.14 -4.99 119.30 119.64 1k3g s MET 71 Ca 0.01 1.72 -0.29 0.00 0.00 0.00 0.00 55.69 57.13 1k3g s MET 71 Cb 0.09 -3.78 0.00 0.00 0.00 0.00 0.00 34.83 31.15 1k3g s MET 71 CO 0.57 -0.71 1.04 -1.25 0.00 0.00 0.00 175.02 174.67 1k3g s PRO 72 N 3.50 4.30 0.25 4.11 0.04 -1.26 -1.10 135.00 144.84 1k3g s PRO 72 Ca 0.57 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 1k3g s PRO 72 Cb -0.23 -3.62 -0.13 0.00 0.04 0.00 0.00 34.50 30.56 1k3g s PRO 72 CO 0.16 -0.55 1.52 0.41 0.04 0.00 0.00 177.00 178.58 1k3g n GLY 73 N 3.28 1.08 0.99 0.56 0.00 -1.26 -3.53 105.19 106.31 1k3g n GLY 73 Ca 0.11 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 2.42 0.97 0.43 -0.02 0.00 -0.60 -4.71 105.19 103.69 1k3g n GLY 74 Ca 0.11 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 0.04 -2.10 -0.61 2.04 -1.59 -3.44 117.51 111.85 1k3g h ILE 75 Ca 0.00 -0.20 -0.49 0.00 1.00 0.00 0.00 64.86 65.17 1k3g h ILE 75 Cb 0.64 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1k3g h ILE 75 CO 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.68 1k3g s ALA 76 N -5.34 3.76 0.30 1.87 0.00 -1.26 -5.06 121.76 116.03 1k3g s ALA 76 Ca -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 1k3g s ALA 76 Cb 0.02 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1k3g s ALA 76 CO 0.49 0.18 0.37 0.15 0.00 0.00 0.00 175.76 176.96 1k3g s LYS 77 N -3.93 1.70 3.26 0.00 1.02 -1.26 -4.62 119.74 115.92 1k3g s LYS 77 Ca 0.36 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1k3g s LYS 77 Cb -0.08 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1k3g s LYS 77 CO 0.27 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1k3g n GLY 78 N -0.50 0.98 0.41 -3.33 0.00 -1.26 -1.68 105.19 99.81 1k3g n GLY 78 Ca 0.02 -0.69 0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.90 2.62 0.22 4.61 0.00 -2.00 -0.62 119.26 123.19 1k3g h ALA 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k3g h ALA 79 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1k3g h ALA 79 CO 0.00 -0.81 -0.46 1.49 0.00 0.00 0.00 179.25 179.46 1k3g h GLU 80 N 0.00 -0.72 0.09 0.00 4.81 -1.81 0.77 114.58 117.72 1k3g h GLU 80 Ca 0.31 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1k3g h GLU 80 Cb 1.26 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1k3g h GLU 80 CO -0.00 -0.48 -0.04 0.00 -0.73 0.00 0.00 179.01 177.75 1k3g h ALA 81 N -0.78 -0.12 -0.28 2.92 0.00 -0.29 -2.60 119.26 118.11 1k3g h ALA 81 Ca -0.02 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1k3g h ALA 81 Cb 0.71 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1k3g h ALA 81 CO -0.19 -0.49 -0.22 0.93 0.00 0.00 0.00 179.25 179.28 1k3g h GLU 82 N -0.29 -0.20 -0.28 0.00 5.08 -1.13 0.73 114.58 118.50 1k3g h GLU 82 Ca -0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1k3g h GLU 82 Cb 0.24 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1k3g h GLU 82 CO 0.02 -0.13 0.04 0.00 -1.00 0.00 0.00 179.01 177.94 1k3g h ALA 83 N 0.91 0.28 -0.26 3.43 0.00 -0.84 -0.33 119.26 122.44 1k3g h ALA 83 Ca 0.15 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1k3g h ALA 83 Cb 0.44 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1k3g h ALA 83 CO -0.40 -0.38 -0.06 0.28 0.00 0.00 0.00 179.25 178.69 1k3g h VAL 84 N 0.14 0.74 -0.16 0.00 2.07 -0.98 0.56 116.25 118.61 1k3g h VAL 84 Ca 0.13 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1k3g h VAL 84 Cb 0.15 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1k3g h VAL 84 CO -0.19 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.12 1k3g h ALA 85 N 1.26 -0.28 -0.45 1.67 0.00 -0.16 0.21 119.26 121.51 1k3g h ALA 85 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 85 Cb 0.19 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1k3g h ALA 85 CO -0.27 -0.74 0.23 0.00 0.00 0.00 0.00 179.25 178.47 1k3g h ALA 86 N 0.57 0.58 0.22 0.00 0.00 -0.68 0.21 119.26 120.16 1k3g h ALA 86 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 86 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k3g h ALA 86 CO -0.35 0.13 -0.11 2.35 0.00 0.00 0.00 179.25 181.27 1k3g h TRP 87 N 0.59 -0.28 -0.74 0.00 7.01 -0.66 -2.16 115.95 119.72 1k3g h TRP 87 Ca 0.16 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.26 1k3g h TRP 87 Cb 0.09 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1k3g h TRP 87 CO -0.01 -0.16 0.49 -0.07 -2.79 0.00 0.00 178.44 175.89 1k3g h LEU 88 N -0.32 0.51 -0.56 0.65 -0.00 -0.33 0.16 115.31 115.42 1k3g h LEU 88 Ca -0.03 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1k3g h LEU 88 Cb 0.24 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1k3g h LEU 88 CO 0.05 0.29 0.35 0.00 -0.00 0.00 0.00 178.44 179.13 1k3g h ALA 89 N 1.64 0.72 0.00 1.53 0.00 0.02 -1.23 119.26 121.94 1k3g h ALA 89 Ca 0.35 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1k3g h ALA 89 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1k3g h ALA 89 CO -0.12 0.08 -0.49 1.49 0.00 0.00 0.00 179.25 180.21 1k3g h GLU 90 N 0.69 0.00 -6.26 0.00 4.22 -0.65 -3.40 114.58 109.18 1k3g h GLU 90 Ca 0.22 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 59.10 1k3g h GLU 90 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1k3g h GLU 90 CO -0.08 0.49 1.10 0.21 -2.18 0.00 0.00 179.01 178.55 1k3g s LYS 91 N -3.60 3.91 0.00 1.92 2.47 0.41 -4.95 119.74 119.91 1k3g s LYS 91 Ca -0.01 1.78 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 1k3g s LYS 91 Cb 0.12 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 32.48 1k3g s LYS 91 CO 0.72 -1.15 0.00 1.63 0.16 0.00 0.00 175.35 176.71