#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 5.81 0.21 4.52 1.01 -1.26 -4.85 116.67 122.10 1k3g s ASP 23 Ca 0.00 -0.31 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 1k3g s ASP 23 Cb 0.00 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.52 1k3g s ASP 23 CO 0.00 -2.06 1.55 0.00 0.21 0.00 0.00 175.17 174.87 1k3g h ALA 24 N 11.79 -0.08 -0.66 5.23 0.00 -1.92 0.20 119.26 133.82 1k3g h ALA 24 Ca -0.19 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 24 Cb 1.08 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.87 1k3g h ALA 24 CO 1.27 -0.74 -0.03 1.05 0.00 0.00 0.00 179.25 180.80 1k3g h GLU 25 N -0.01 0.09 -0.60 0.00 4.11 -1.93 0.20 114.58 116.43 1k3g h GLU 25 Ca 0.28 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.67 1k3g h GLU 25 Cb 0.54 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1k3g h GLU 25 CO -0.96 0.06 0.22 0.00 0.07 0.00 0.00 179.01 178.39 1k3g h ALA 26 N 1.62 0.79 0.01 1.06 0.00 -1.07 0.57 119.26 122.24 1k3g h ALA 26 Ca 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k3g h ALA 26 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1k3g h ALA 26 CO -0.60 0.43 -0.00 0.28 0.00 0.00 0.00 179.25 179.36 1k3g h VAL 27 N 0.85 1.07 -0.38 0.00 2.07 -0.16 -2.30 116.25 117.39 1k3g h VAL 27 Ca 0.20 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1k3g h VAL 27 Cb 0.25 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1k3g h VAL 27 CO -0.01 0.06 -0.09 0.58 0.02 0.00 0.00 177.57 178.13 1k3g h VAL 28 N -0.10 0.63 0.00 2.57 2.07 -0.33 0.23 116.25 121.32 1k3g h VAL 28 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1k3g h VAL 28 Cb 0.10 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1k3g h VAL 28 CO 0.00 0.00 0.25 1.56 0.02 0.00 0.00 177.57 179.40 1k3g h GLN 29 N 0.01 0.00 -0.98 1.57 1.08 -0.70 -0.30 115.11 115.79 1k3g h GLN 29 Ca 0.18 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 57.02 1k3g h GLN 29 Cb 0.27 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.42 1k3g h GLN 29 CO -0.38 0.00 -0.84 0.94 -0.95 0.00 0.00 178.83 177.60 1k3g n GLN 30 N -2.53 1.03 0.00 1.46 0.00 0.69 -4.77 117.38 113.25 1k3g n GLN 30 Ca -0.02 -2.69 0.00 0.00 -0.00 0.00 0.00 57.00 54.29 1k3g n GLN 30 Cb 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.26 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 0.20 0.00 -0.12 3.69 5.02 -0.50 -4.87 118.16 121.58 1k3g n LYS 31 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 1k3g n LYS 31 Cb 0.71 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.99 0.53 -1.17 0.00 -0.00 -1.29 -0.25 117.51 114.33 1k3g h ILE 33 Ca -0.48 0.00 0.42 0.00 -0.00 0.00 0.00 64.86 64.80 1k3g h ILE 33 Cb 1.42 0.76 -0.14 0.00 -0.00 0.00 0.00 36.82 38.86 1k3g h ILE 33 CO -0.29 0.00 0.73 -1.20 -0.00 0.00 0.00 178.15 177.38 1k3g n SER 34 N -3.95 0.23 0.00 2.16 7.64 -1.26 -0.17 113.62 118.26 1k3g n SER 34 Ca 0.05 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1k3g n SER 34 Cb 0.48 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.54 0.00 0.00 0.00 8.25 -0.24 -0.37 115.22 120.31 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 0.49 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.30 -1.05 0.54 -1.41 0.00 0.76 -1.00 105.19 103.32 1k3g n GLY 37 Ca 0.08 -1.43 0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 0.66 0.54 -0.02 0.00 -1.95 0.47 103.07 102.77 1k3g h GLY 38 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1k3g h GLY 38 CO 0.00 -0.17 -0.71 1.34 0.00 0.00 0.00 176.54 177.00 1k3g n ASP 39 N -4.37 0.74 -0.01 0.19 -0.08 -1.26 -4.96 116.55 106.79 1k3g n ASP 39 Ca 0.35 -0.59 -0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1k3g n ASP 39 Cb 1.46 0.57 -0.00 0.00 2.34 0.00 0.00 41.12 45.49 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1k3g n LEU 40 N -1.47 0.42 -0.31 -2.67 4.77 0.16 -4.84 117.00 113.05 1k3g n LEU 40 Ca 0.05 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1k3g n LEU 40 Cb 0.33 -1.39 0.66 0.00 -2.33 0.00 0.00 43.42 40.70 1k3g n LEU 40 CO 0.38 -0.44 0.95 0.35 -1.33 0.00 0.00 177.39 177.30 1k3g n THR 41 N -2.56 0.01 0.00 -5.08 -2.24 -1.18 -1.54 114.28 101.68 1k3g n THR 41 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1k3g n THR 41 Cb 0.22 0.14 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 1.11 -1.75 0.83 3.38 0.00 -0.17 -4.26 105.19 104.32 1k3g n GLY 42 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.37 2.45 0.96 4.61 0.00 -1.18 -4.77 120.51 122.95 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 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.68 2.31 -3.59 0.00 2.88 0.50 -4.96 113.62 109.07 1k3g n SER 44 Ca 0.00 -1.80 -0.10 0.00 -1.33 0.00 0.00 58.87 55.64 1k3g n SER 44 Cb 0.00 -0.13 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.75 -1.48 0.75 -1.46 0.00 -1.21 -4.95 121.76 111.67 1k3g s ALA 45 Ca 0.34 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1k3g s ALA 45 Cb 0.20 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.21 1k3g s ALA 45 CO 0.29 -0.87 1.10 -1.25 0.00 0.00 0.00 175.76 175.03 1k3g s PRO 46 N -3.77 2.32 -0.05 0.00 0.04 -1.26 -4.26 135.00 128.03 1k3g s PRO 46 Ca 0.05 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1k3g s PRO 46 Cb -0.03 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1k3g s PRO 46 CO -0.05 -1.60 1.24 0.00 0.04 0.00 0.00 177.00 176.63 1k3g s ALA 47 N -2.76 3.51 -2.23 8.56 0.00 -1.26 -4.36 121.76 123.22 1k3g s ALA 47 Ca 0.63 0.67 0.19 0.00 0.00 0.00 0.00 51.96 53.45 1k3g s ALA 47 Cb -0.18 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1k3g s ALA 47 CO 0.53 -0.80 1.07 0.44 0.00 0.00 0.00 175.76 177.00 1k3g n ILE 48 N 4.63 0.00 -0.27 0.00 -5.35 -0.63 -4.56 119.36 113.19 1k3g n ILE 48 Ca 0.11 -0.46 0.26 0.00 -0.27 0.00 0.00 62.75 62.40 1k3g n ILE 48 Cb 0.46 1.36 0.48 0.00 -1.74 0.00 0.00 39.64 40.19 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1k3g n ASP 49 N 0.81 0.27 -1.56 7.28 2.03 -0.59 -0.36 116.55 124.43 1k3g n ASP 49 Ca 0.10 1.38 -0.14 0.00 0.52 0.00 0.00 54.79 56.65 1k3g n ASP 49 Cb 0.46 -0.66 0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1k3g n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k3g n LYS 50 N -4.89 2.92 -0.11 -0.67 5.02 -1.26 -3.90 118.16 115.28 1k3g n LYS 50 Ca 0.31 -3.86 -0.08 0.00 -2.02 0.00 0.00 58.31 52.66 1k3g n LYS 50 Cb 1.05 -2.06 -0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.78 0.45 0.00 7.82 0.00 -0.82 -2.04 119.26 126.44 1k3g h ALA 51 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1k3g h ALA 51 Cb 1.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k3g h ALA 51 CO 0.53 -0.12 0.08 0.41 0.00 0.00 0.00 179.25 180.15 1k3g n GLY 52 N -1.20 -0.81 0.12 0.00 0.00 -1.06 -0.45 105.19 101.80 1k3g n GLY 52 Ca -0.00 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1k3g n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3g h ALA 53 N 1.78 0.32 0.16 4.61 0.00 -1.62 -3.41 119.26 121.10 1k3g h ALA 53 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.65 1k3g h ALA 53 Cb 0.17 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1k3g h ALA 53 CO 0.00 0.96 -0.25 -0.91 0.00 0.00 0.00 179.25 179.05 1k3g h ASN 54 N -0.51 -0.69 -5.21 0.00 2.35 -0.17 -3.46 115.58 107.89 1k3g h ASN 54 Ca -0.38 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 1k3g h ASN 54 Cb 1.64 0.25 -0.16 0.00 0.05 0.00 0.00 38.32 40.11 1k3g h ASN 54 CO -0.07 -0.35 -0.66 -0.31 -1.65 0.00 0.00 177.43 174.40 1k3g s TYR 55 N -6.07 0.47 0.68 1.19 2.02 0.40 -5.10 117.35 110.94 1k3g s TYR 55 Ca -0.16 -0.98 -0.07 0.00 -0.37 0.00 0.00 57.07 55.49 1k3g s TYR 55 Cb 0.07 -0.35 0.05 0.00 -0.40 0.00 0.00 41.96 41.33 1k3g s TYR 55 CO 0.65 -0.37 1.00 -1.12 -1.57 0.00 0.00 175.55 174.14 1k3g s SER 56 N -2.77 5.04 0.25 2.29 0.01 -1.26 -4.11 113.70 113.15 1k3g s SER 56 Ca 0.05 0.59 -0.04 0.00 1.31 0.00 0.00 55.95 57.86 1k3g s SER 56 Cb 0.06 -1.33 0.48 0.00 0.21 0.00 0.00 66.02 65.44 1k3g s SER 56 CO -0.09 -1.46 1.72 1.05 0.41 0.00 0.00 173.24 174.87 1k3g h GLU 57 N -0.52 0.39 -0.54 12.44 9.09 -1.94 0.38 114.58 133.88 1k3g h GLU 57 Ca -0.45 -0.02 0.08 0.00 0.05 0.00 0.00 59.36 59.01 1k3g h GLU 57 Cb 1.30 -0.09 -0.06 0.00 -1.65 0.00 0.00 28.75 28.25 1k3g h GLU 57 CO 0.61 0.26 0.20 0.93 0.05 0.00 0.00 179.01 181.06 1k3g h GLU 58 N 0.40 0.37 -0.07 1.06 5.08 -1.94 0.27 114.58 119.76 1k3g h GLU 58 Ca 0.43 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1k3g h GLU 58 Cb 0.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1k3g h GLU 58 CO -0.44 0.24 -0.17 0.93 -1.00 0.00 0.00 179.01 178.58 1k3g h GLU 59 N 0.38 0.25 -0.36 2.33 4.39 -1.38 0.49 114.58 120.68 1k3g h GLU 59 Ca 0.26 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1k3g h GLU 59 Cb 0.29 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1k3g h GLU 59 CO -0.26 0.77 0.23 0.82 -1.16 0.00 0.00 179.01 179.40 1k3g h ILE 60 N -0.24 1.11 -0.21 3.13 2.04 -0.92 -0.24 117.51 122.18 1k3g h ILE 60 Ca -0.00 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1k3g h ILE 60 Cb 0.77 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1k3g h ILE 60 CO 0.04 0.11 -0.14 0.25 0.00 0.00 0.00 178.15 178.41 1k3g h LEU 61 N 0.48 -0.44 -0.52 1.44 5.85 -0.37 0.17 115.31 121.91 1k3g h LEU 61 Ca 0.13 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1k3g h LEU 61 Cb -0.02 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1k3g h LEU 61 CO -0.03 -0.17 0.13 -0.78 -0.34 0.00 0.00 178.44 177.25 1k3g h ASP 62 N -0.13 0.05 -0.36 1.25 1.82 -0.34 0.19 116.42 118.90 1k3g h ASP 62 Ca 0.12 0.09 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1k3g h ASP 62 Cb 0.31 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1k3g h ASP 62 CO -0.29 0.05 0.20 0.40 -1.61 0.00 0.00 179.24 177.99 1k3g h ILE 63 N 0.27 1.01 -0.64 2.25 2.04 -0.21 0.30 117.51 122.53 1k3g h ILE 63 Ca 0.26 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1k3g h ILE 63 Cb 0.35 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1k3g h ILE 63 CO -0.32 0.07 0.39 0.40 0.00 0.00 0.00 178.15 178.69 1k3g h ILE 64 N 0.40 1.08 -0.13 -0.67 2.04 0.54 0.52 117.51 121.30 1k3g h ILE 64 Ca 0.15 -0.26 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 1k3g h ILE 64 Cb 0.03 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1k3g h ILE 64 CO -0.08 0.14 -0.57 -0.07 0.00 0.00 0.00 178.15 177.57 1k3g h LEU 65 N 0.77 0.46 -3.01 1.44 3.38 -0.14 -0.82 115.31 117.39 1k3g h LEU 65 Ca 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k3g h LEU 65 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1k3g h LEU 65 CO -0.11 0.93 0.00 0.59 0.09 0.00 0.00 178.44 179.94 1k3g n ASN 66 N -3.93 2.32 0.00 -0.43 3.02 1.00 -1.86 115.26 115.39 1k3g n ASN 66 Ca -0.03 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 1k3g n ASN 66 Cb 0.61 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.08 0.90 0.00 7.41 0.00 0.16 -4.42 105.19 108.16 1k3g n GLY 67 Ca 0.11 -0.29 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 8.50 0.00 0.00 1.61 7.27 -0.33 -4.57 117.38 129.86 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 -0.06 2.29 0.26 1.69 0.00 -1.26 0.23 105.19 108.34 1k3g n GLY 69 Ca 0.00 0.33 0.17 0.00 0.00 0.00 0.00 46.02 46.52 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 -5.56 -0.02 0.00 -2.01 -3.44 103.07 92.04 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 1.03 -0.29 0.00 0.00 0.00 176.54 177.28 1k3g s MET 71 N -3.62 4.04 -0.16 4.80 0.00 0.13 -4.98 119.30 119.52 1k3g s MET 71 Ca 0.02 1.76 -0.29 0.00 0.00 0.00 0.00 55.69 57.18 1k3g s MET 71 Cb 0.09 -3.93 -0.01 0.00 0.00 0.00 0.00 34.83 30.99 1k3g s MET 71 CO 0.53 -0.98 1.11 -1.25 0.00 0.00 0.00 175.02 174.42 1k3g s PRO 72 N 4.10 4.31 0.43 4.11 0.04 -1.26 -1.19 135.00 145.53 1k3g s PRO 72 Ca 0.65 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1k3g s PRO 72 Cb -0.25 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.57 1k3g s PRO 72 CO 0.24 -0.54 1.39 0.20 0.04 0.00 0.00 177.00 178.32 1k3g s GLY 73 N 1.39 2.93 -0.17 0.56 0.00 -1.26 -3.54 107.32 107.22 1k3g s GLY 73 Ca 0.49 1.39 -0.00 0.00 0.00 0.00 0.00 44.72 46.60 1k3g s GLY 73 CO 0.13 2.00 0.04 0.61 0.00 0.00 0.00 173.10 175.88 1k3g n GLY 74 N 0.60 0.46 0.10 0.20 0.00 -0.31 -4.69 105.19 101.56 1k3g n GLY 74 Ca 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.10 0.83 -2.20 -0.61 2.04 -1.62 -3.41 117.51 112.44 1k3g h ILE 75 Ca -0.05 -0.01 -0.53 0.00 1.00 0.00 0.00 64.86 65.27 1k3g h ILE 75 Cb 1.04 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1k3g h ILE 75 CO 0.06 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 177.63 1k3g s ALA 76 N -6.20 3.37 0.19 1.87 0.00 -1.26 -5.07 121.76 114.66 1k3g s ALA 76 Ca -0.13 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 1k3g s ALA 76 Cb 0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1k3g s ALA 76 CO 0.68 0.26 0.27 0.15 0.00 0.00 0.00 175.76 177.12 1k3g s LYS 77 N -3.76 1.23 2.49 0.00 -0.14 -1.26 -4.58 119.74 113.73 1k3g s LYS 77 Ca 0.32 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 1k3g s LYS 77 Cb -0.07 0.36 0.00 0.00 -1.68 0.00 0.00 37.83 36.44 1k3g s LYS 77 CO 0.22 -0.45 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 1k3g n GLY 78 N -0.25 1.44 0.40 -3.33 0.00 -1.26 -1.37 105.19 100.82 1k3g n GLY 78 Ca -0.03 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.52 2.21 -0.90 4.61 0.00 -1.99 0.31 119.26 122.98 1k3g h ALA 79 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 79 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1k3g h ALA 79 CO 0.00 -0.50 0.59 1.49 0.00 0.00 0.00 179.25 180.83 1k3g h GLU 80 N 0.40 1.00 0.00 0.00 4.81 -1.58 0.17 114.58 119.39 1k3g h GLU 80 Ca 0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1k3g h GLU 80 Cb 1.18 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1k3g h GLU 80 CO -0.18 0.66 -0.22 0.00 -0.73 0.00 0.00 179.01 178.55 1k3g h ALA 81 N 1.51 0.02 -0.47 2.92 0.00 0.35 -3.28 119.26 120.31 1k3g h ALA 81 Ca 0.39 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1k3g h ALA 81 Cb 0.19 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1k3g h ALA 81 CO -0.14 0.17 -0.06 0.93 0.00 0.00 0.00 179.25 180.15 1k3g h GLU 82 N -1.00 0.05 -0.29 0.00 5.08 -0.51 0.14 114.58 118.04 1k3g h GLU 82 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1k3g h GLU 82 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1k3g h GLU 82 CO -0.02 0.03 0.19 0.00 -1.00 0.00 0.00 179.01 178.22 1k3g h ALA 83 N 1.44 0.37 0.12 3.43 0.00 -0.87 0.18 119.26 123.94 1k3g h ALA 83 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1k3g h ALA 83 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1k3g h ALA 83 CO -0.44 -0.15 -0.16 0.28 0.00 0.00 0.00 179.25 178.78 1k3g h VAL 84 N 0.39 0.63 0.10 0.00 2.07 -1.28 0.21 116.25 118.38 1k3g h VAL 84 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1k3g h VAL 84 Cb -0.03 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1k3g h VAL 84 CO -0.02 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.13 1k3g h ALA 85 N 0.51 -0.76 -0.93 1.67 0.00 -0.60 0.23 119.26 119.37 1k3g h ALA 85 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1k3g h ALA 85 Cb 0.33 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1k3g h ALA 85 CO -0.07 -1.00 0.62 0.00 0.00 0.00 0.00 179.25 178.80 1k3g h ALA 86 N -0.20 1.19 0.18 0.00 0.00 -0.81 0.14 119.26 119.76 1k3g h ALA 86 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k3g h ALA 86 Cb 0.69 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k3g h ALA 86 CO -0.26 0.56 -0.09 2.35 0.00 0.00 0.00 179.25 181.81 1k3g h TRP 87 N 1.25 -0.22 -0.12 0.00 7.01 -0.35 -2.59 115.95 120.92 1k3g h TRP 87 Ca 0.35 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.38 1k3g h TRP 87 Cb -0.12 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1k3g h TRP 87 CO -0.01 0.01 0.11 -0.07 -2.79 0.00 0.00 178.44 175.69 1k3g h LEU 88 N -0.43 0.00 -1.82 0.65 3.38 -0.03 0.32 115.31 117.37 1k3g h LEU 88 Ca -0.02 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1k3g h LEU 88 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1k3g h LEU 88 CO 0.04 0.00 0.31 0.00 0.09 0.00 0.00 178.44 178.88 1k3g h ALA 89 N 1.90 2.15 -0.05 1.53 0.00 -0.33 -0.74 119.26 123.71 1k3g h ALA 89 Ca 0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1k3g h ALA 89 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1k3g h ALA 89 CO -0.00 -0.25 -0.85 1.05 0.00 0.00 0.00 179.25 179.20 1k3g h GLU 90 N 0.21 0.48 -6.24 0.00 -0.00 -0.32 -3.43 114.58 105.29 1k3g h GLU 90 Ca 0.20 -0.45 -0.53 0.00 -0.00 0.00 0.00 59.36 58.58 1k3g h GLU 90 Cb 0.54 0.11 -0.05 0.00 -0.00 0.00 0.00 28.75 29.35 1k3g h GLU 90 CO -0.04 1.09 1.20 0.15 -0.00 0.00 0.00 179.01 181.42 1k3g s LYS 91 N -3.47 3.05 0.00 1.06 -0.14 -0.30 -4.99 119.74 114.95 1k3g s LYS 91 Ca -0.07 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.03 1k3g s LYS 91 Cb 0.09 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.01 1k3g s LYS 91 CO 0.87 -2.25 0.00 0.36 -0.76 0.00 0.00 175.35 173.57