#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 6.06 0.22 4.52 1.11 -1.26 -4.87 116.67 122.45 1k3g s ASP 23 Ca 0.00 0.26 -0.19 0.00 0.18 0.00 0.00 52.55 52.79 1k3g s ASP 23 Cb 0.00 -2.55 0.20 0.00 1.07 0.00 0.00 42.92 41.64 1k3g s ASP 23 CO 0.00 -1.77 1.56 0.00 1.18 0.00 0.00 175.17 176.14 1k3g h ALA 24 N 11.31 0.07 -0.38 5.23 0.00 -1.92 0.30 119.26 133.87 1k3g h ALA 24 Ca -0.27 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1k3g h ALA 24 Cb 1.10 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1k3g h ALA 24 CO 1.18 -0.66 0.20 0.93 0.00 0.00 0.00 179.25 180.90 1k3g h GLU 25 N -0.04 0.39 -0.57 0.00 5.08 -1.92 -0.52 114.58 117.01 1k3g h GLU 25 Ca 0.31 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1k3g h GLU 25 Cb 0.58 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1k3g h GLU 25 CO -0.93 0.26 0.36 0.00 -1.00 0.00 0.00 179.01 177.71 1k3g h ALA 26 N 1.19 0.73 0.52 3.43 0.00 -1.46 0.14 119.26 123.81 1k3g h ALA 26 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 26 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1k3g h ALA 26 CO -0.10 0.11 -0.35 0.28 0.00 0.00 0.00 179.25 179.19 1k3g h VAL 27 N 0.72 0.28 -0.40 0.00 2.07 -0.55 -2.56 116.25 115.81 1k3g h VAL 27 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1k3g h VAL 27 Cb -0.02 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1k3g h VAL 27 CO -0.08 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.11 1k3g h VAL 28 N -0.84 0.72 -0.57 2.57 2.07 -0.66 0.20 116.25 119.74 1k3g h VAL 28 Ca -0.06 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.58 1k3g h VAL 28 Cb 0.70 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1k3g h VAL 28 CO 0.04 0.02 0.73 1.56 0.02 0.00 0.00 177.57 179.94 1k3g h GLN 29 N 0.13 0.00 -1.08 1.57 1.08 -0.63 0.10 115.11 116.27 1k3g h GLN 29 Ca 0.19 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.03 1k3g h GLN 29 Cb 0.27 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 27.31 1k3g h GLN 29 CO -0.31 0.00 -1.15 0.94 -0.95 0.00 0.00 178.83 177.37 1k3g n GLN 30 N -3.41 1.12 0.00 1.46 7.27 0.47 -4.77 117.38 119.52 1k3g n GLN 30 Ca 0.12 -3.18 0.00 0.00 0.07 0.00 0.00 57.00 54.01 1k3g n GLN 30 Cb 0.93 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 32.34 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1k3g n LYS 31 N -0.03 0.00 -0.12 3.69 4.01 0.06 -4.93 118.16 120.83 1k3g n LYS 31 Ca 0.11 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.65 1k3g n LYS 31 Cb 0.80 0.00 -0.08 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 -0.91 0.68 -0.76 0.00 -0.00 -1.62 -0.23 117.51 114.67 1k3g h ILE 33 Ca -0.59 0.00 0.29 0.00 -0.00 0.00 0.00 64.86 64.57 1k3g h ILE 33 Cb 1.50 0.72 -0.14 0.00 -0.00 0.00 0.00 36.82 38.91 1k3g h ILE 33 CO -0.36 0.00 0.31 -1.20 -0.00 0.00 0.00 178.15 176.90 1k3g n SER 34 N -4.28 0.17 -0.03 2.16 7.64 -1.26 0.16 113.62 118.18 1k3g n SER 34 Ca 0.10 1.27 -0.04 0.00 1.01 0.00 0.00 58.87 61.21 1k3g n SER 34 Cb 0.62 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.48 0.01 0.00 0.00 8.25 -0.23 -0.81 115.22 119.96 1k3g n HIS 36 Ca -0.10 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1k3g n HIS 36 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 0.91 2.09 0.49 -1.41 0.00 0.12 -1.14 105.19 106.26 1k3g n GLY 37 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1k3g n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 38 N 0.00 -0.52 1.02 -0.02 0.00 -1.26 -4.62 105.19 99.79 1k3g n GLY 38 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1k3g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k3g n ASP 39 N -2.37 3.06 -0.13 1.61 8.00 -1.26 -4.91 116.55 120.55 1k3g n ASP 39 Ca 0.00 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.54 1k3g n ASP 39 Cb 0.00 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1k3g n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k3g n LEU 40 N 1.25 -0.02 0.08 0.64 4.77 -1.20 -4.65 117.00 117.87 1k3g n LEU 40 Ca 0.18 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1k3g n LEU 40 Cb 0.55 -0.92 0.46 0.00 -2.33 0.00 0.00 43.42 41.18 1k3g n LEU 40 CO 0.15 -0.20 0.88 0.35 -1.33 0.00 0.00 177.39 177.24 1k3g n THR 41 N -2.84 0.59 0.00 -5.08 -2.24 -1.18 -0.49 114.28 103.04 1k3g n THR 41 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1k3g n THR 41 Cb 0.11 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 0.86 0.97 0.62 3.38 0.00 -0.29 -4.19 105.19 106.53 1k3g n GLY 42 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 1.07 0.37 0.93 4.61 0.00 -1.17 -4.48 120.51 121.84 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 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.47 2.32 -3.62 0.00 2.88 0.01 -4.96 113.62 108.78 1k3g n SER 44 Ca 0.00 -1.81 -0.10 0.00 -1.33 0.00 0.00 58.87 55.63 1k3g n SER 44 Cb 0.00 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 -1.72 -1.21 0.88 -1.46 0.00 -1.18 -4.99 121.76 112.08 1k3g s ALA 45 Ca 0.34 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1k3g s ALA 45 Cb 0.19 0.84 0.12 0.00 0.00 0.00 0.00 23.12 24.28 1k3g s ALA 45 CO 0.28 -0.80 1.10 -1.25 0.00 0.00 0.00 175.76 175.09 1k3g s PRO 46 N -3.82 1.41 -0.13 0.00 0.04 -1.26 -4.39 135.00 126.85 1k3g s PRO 46 Ca 0.06 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1k3g s PRO 46 Cb -0.01 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1k3g s PRO 46 CO -0.07 -2.20 1.20 0.00 0.04 0.00 0.00 177.00 175.97 1k3g s ALA 47 N -2.85 3.59 -1.64 8.56 0.00 -1.26 -4.29 121.76 123.87 1k3g s ALA 47 Ca 0.63 0.49 0.14 0.00 0.00 0.00 0.00 51.96 53.23 1k3g s ALA 47 Cb -0.19 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.56 1k3g s ALA 47 CO 0.57 -0.97 1.06 0.44 0.00 0.00 0.00 175.76 176.86 1k3g n ILE 48 N 5.03 0.28 -0.29 0.00 -5.35 0.36 -4.65 119.36 114.74 1k3g n ILE 48 Ca 0.12 -0.64 0.10 0.00 -0.27 0.00 0.00 62.75 62.06 1k3g n ILE 48 Cb 0.46 1.08 0.24 0.00 -1.74 0.00 0.00 39.64 39.67 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 2.78 -0.19 -0.82 7.28 3.58 -1.16 0.15 116.42 128.04 1k3g h ASP 49 Ca 0.00 0.21 -0.33 0.00 0.42 0.00 0.00 57.03 57.33 1k3g h ASP 49 Cb 0.66 0.32 -0.20 0.00 1.72 0.00 0.00 39.33 41.84 1k3g h ASP 49 CO 0.00 -0.19 0.40 0.29 -2.88 0.00 0.00 179.24 176.86 1k3g n LYS 50 N -5.30 3.08 -0.22 0.28 4.01 -1.26 -4.35 118.16 114.40 1k3g n LYS 50 Ca 0.18 -3.07 0.01 0.00 -0.51 0.00 0.00 58.31 54.93 1k3g n LYS 50 Cb 0.61 -2.18 0.13 0.00 -0.51 0.00 0.00 35.03 33.07 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k3g h ALA 51 N 1.96 0.83 -0.12 7.82 0.00 -0.85 0.60 119.26 129.51 1k3g h ALA 51 Ca 0.40 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1k3g h ALA 51 Cb 2.51 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.38 1k3g h ALA 51 CO 0.86 -0.22 0.28 0.78 0.00 0.00 0.00 179.25 180.96 1k3g h GLY 52 N 0.39 0.00 1.44 0.00 0.00 -1.21 0.25 103.07 103.93 1k3g h GLY 52 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.37 1k3g h GLY 52 CO -0.35 0.00 -1.38 0.00 0.00 0.00 0.00 176.54 174.81 1k3g h ALA 53 N 1.54 0.12 0.01 3.60 0.00 -1.06 -3.38 119.26 120.08 1k3g h ALA 53 Ca 0.06 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 1k3g h ALA 53 Cb 0.62 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1k3g h ALA 53 CO -0.00 0.99 -0.16 -0.91 0.00 0.00 0.00 179.25 179.17 1k3g h ASN 54 N 0.08 0.13 -4.24 0.00 2.35 -0.33 -3.48 115.58 110.10 1k3g h ASN 54 Ca -0.19 -0.82 -0.20 0.00 -0.55 0.00 0.00 56.30 54.54 1k3g h ASN 54 Cb 2.02 -0.04 -0.25 0.00 0.05 0.00 0.00 38.32 40.10 1k3g h ASN 54 CO 0.20 0.94 -0.66 -0.31 -1.65 0.00 0.00 177.43 175.95 1k3g s TYR 55 N -2.95 0.05 0.73 1.19 2.02 0.53 -5.12 117.35 113.80 1k3g s TYR 55 Ca -0.17 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 1k3g s TYR 55 Cb -0.00 -0.05 0.06 0.00 -0.40 0.00 0.00 41.96 41.57 1k3g s TYR 55 CO 0.72 -0.10 1.06 -1.12 -1.57 0.00 0.00 175.55 174.54 1k3g s SER 56 N -0.56 4.75 0.26 2.29 0.01 -1.26 -3.74 113.70 115.45 1k3g s SER 56 Ca -0.06 0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1k3g s SER 56 Cb -0.04 -1.17 0.52 0.00 0.21 0.00 0.00 66.02 65.54 1k3g s SER 56 CO -0.00 -1.67 1.73 1.05 0.41 0.00 0.00 173.24 174.76 1k3g h GLU 57 N -0.72 0.46 -0.64 12.44 4.11 -1.91 0.15 114.58 128.47 1k3g h GLU 57 Ca -0.45 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.06 1k3g h GLU 57 Cb 1.32 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 1k3g h GLU 57 CO 0.62 0.31 0.22 0.93 0.07 0.00 0.00 179.01 181.15 1k3g h GLU 58 N 0.48 0.36 0.05 1.06 5.08 -1.93 0.31 114.58 119.98 1k3g h GLU 58 Ca 0.45 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1k3g h GLU 58 Cb 0.70 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1k3g h GLU 58 CO -0.42 0.24 -0.02 0.93 -1.00 0.00 0.00 179.01 178.74 1k3g h GLU 59 N 0.37 -0.06 -0.56 2.33 5.08 -1.16 -1.28 114.58 119.30 1k3g h GLU 59 Ca 0.34 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1k3g h GLU 59 Cb 0.46 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1k3g h GLU 59 CO -0.36 0.46 0.32 0.82 -1.00 0.00 0.00 179.01 179.26 1k3g h ILE 60 N -0.62 1.03 -0.10 3.13 2.04 -0.75 0.28 117.51 122.52 1k3g h ILE 60 Ca -0.01 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1k3g h ILE 60 Cb 0.55 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1k3g h ILE 60 CO 0.01 0.12 -0.09 0.25 0.00 0.00 0.00 178.15 178.43 1k3g h LEU 61 N 0.63 -0.29 -0.40 1.44 5.85 -0.39 0.12 115.31 122.26 1k3g h LEU 61 Ca 0.23 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1k3g h LEU 61 Cb 0.07 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1k3g h LEU 61 CO -0.12 -0.13 0.02 -0.78 -0.34 0.00 0.00 178.44 177.09 1k3g h ASP 62 N -0.11 -0.12 0.16 1.25 1.82 -0.37 0.12 116.42 119.17 1k3g h ASP 62 Ca 0.07 0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1k3g h ASP 62 Cb 0.22 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1k3g h ASP 62 CO -0.17 -0.02 -0.28 0.40 -1.61 0.00 0.00 179.24 177.56 1k3g h ILE 63 N 0.13 0.40 -0.65 2.25 2.04 -0.30 0.16 117.51 121.54 1k3g h ILE 63 Ca 0.20 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.19 1k3g h ILE 63 Cb 0.27 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 1k3g h ILE 63 CO -0.31 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.37 1k3g h ILE 64 N -0.52 0.58 -0.13 -0.67 2.04 -0.26 0.35 117.51 118.91 1k3g h ILE 64 Ca 0.02 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1k3g h ILE 64 Cb 0.53 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1k3g h ILE 64 CO -0.13 0.05 -0.14 -0.07 0.00 0.00 0.00 178.15 177.86 1k3g h LEU 65 N 0.25 0.19 -2.42 1.44 3.38 0.04 -0.43 115.31 117.75 1k3g h LEU 65 Ca 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1k3g h LEU 65 Cb 0.56 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1k3g h LEU 65 CO -0.45 0.35 -0.30 0.59 0.09 0.00 0.00 178.44 178.72 1k3g n ASN 66 N -4.28 0.99 0.00 -0.43 3.02 0.50 -2.53 115.26 112.53 1k3g n ASN 66 Ca -0.01 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 1k3g n ASN 66 Cb 0.26 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.60 0.55 0.00 7.41 0.00 0.11 -4.74 105.19 107.92 1k3g n GLY 67 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 5.93 0.00 0.00 1.61 7.27 -1.19 -4.52 117.38 126.47 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 -0.27 0.08 0.22 1.69 0.00 -1.26 0.43 105.19 106.08 1k3g n GLY 69 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.45 -4.88 -0.02 0.00 -2.02 -3.44 103.07 93.15 1k3g h GLY 70 Ca 0.00 -0.40 -0.58 0.00 0.00 0.00 0.00 47.33 46.35 1k3g h GLY 70 CO 0.00 0.36 0.78 -0.13 0.00 0.00 0.00 176.54 177.55 1k3g n MET 71 N -4.07 2.17 0.31 4.80 0.00 0.17 -4.95 117.12 115.56 1k3g n MET 71 Ca -0.01 0.78 -0.16 0.00 0.00 0.00 0.00 57.70 58.31 1k3g n MET 71 Cb 0.45 -2.53 -0.08 0.00 0.00 0.00 0.00 33.22 31.06 1k3g n MET 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1k3g h PRO 72 N 5.61 -0.77 0.00 2.12 0.13 -1.86 -3.16 132.00 134.08 1k3g h PRO 72 Ca -0.45 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1k3g h PRO 72 Cb 1.25 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1k3g h PRO 72 CO 0.86 -0.46 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1k3g n GLY 73 N -0.90 3.23 2.27 1.56 0.00 -1.26 -4.42 105.19 105.67 1k3g n GLY 73 Ca -0.12 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.23 0.63 0.44 -0.02 0.00 -0.17 -4.68 105.19 101.16 1k3g n GLY 74 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 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 0.10 -2.34 -0.61 2.04 -1.87 -3.40 117.51 111.42 1k3g h ILE 75 Ca -0.24 0.00 -0.51 0.00 1.00 0.00 0.00 64.86 65.11 1k3g h ILE 75 Cb 0.94 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1k3g h ILE 75 CO 0.32 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.97 1k3g s ALA 76 N -5.87 3.72 0.17 1.87 0.00 -1.26 -5.07 121.76 115.32 1k3g s ALA 76 Ca -0.17 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 1k3g s ALA 76 Cb 0.07 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1k3g s ALA 76 CO 0.62 0.34 0.23 0.15 0.00 0.00 0.00 175.76 177.09 1k3g s LYS 77 N -3.65 1.14 3.81 0.00 -0.14 -1.26 -4.47 119.74 115.17 1k3g s LYS 77 Ca 0.33 -1.31 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 1k3g s LYS 77 Cb -0.09 0.34 0.00 0.00 -1.68 0.00 0.00 37.83 36.40 1k3g s LYS 77 CO 0.26 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 174.86 1k3g n GLY 78 N -0.21 1.44 0.39 -3.33 0.00 -1.26 -1.84 105.19 100.38 1k3g n GLY 78 Ca -0.05 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.85 2.09 -0.26 4.61 0.00 -2.00 0.11 119.26 122.96 1k3g h ALA 79 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 79 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1k3g h ALA 79 CO 0.00 -0.46 -0.16 1.49 0.00 0.00 0.00 179.25 180.13 1k3g h GLU 80 N 0.49 -0.13 0.11 0.00 4.81 -1.79 0.48 114.58 118.54 1k3g h GLU 80 Ca 0.56 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 1k3g h GLU 80 Cb 1.28 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1k3g h GLU 80 CO -0.29 -0.09 -0.05 0.00 -0.73 0.00 0.00 179.01 177.85 1k3g h ALA 81 N 1.04 -0.15 -0.12 2.92 0.00 -0.11 -3.12 119.26 119.73 1k3g h ALA 81 Ca 0.14 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1k3g h ALA 81 Cb 0.35 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1k3g h ALA 81 CO -0.34 -0.34 -0.38 0.93 0.00 0.00 0.00 179.25 179.11 1k3g h GLU 82 N -0.62 -0.44 -0.23 0.00 5.08 -0.80 0.83 114.58 118.39 1k3g h GLU 82 Ca -0.02 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1k3g h GLU 82 Cb 0.49 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1k3g h GLU 82 CO 0.02 -0.30 -0.06 0.00 -1.00 0.00 0.00 179.01 177.68 1k3g h ALA 83 N 0.23 0.15 0.28 3.43 0.00 -1.02 0.54 119.26 122.88 1k3g h ALA 83 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1k3g h ALA 83 Cb 0.60 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1k3g h ALA 83 CO -0.37 -0.47 -0.36 0.28 0.00 0.00 0.00 179.25 178.33 1k3g h VAL 84 N -0.00 0.26 -0.31 0.00 2.07 -1.41 0.13 116.25 116.99 1k3g h VAL 84 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1k3g h VAL 84 Cb 0.17 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1k3g h VAL 84 CO -0.24 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.22 1k3g h ALA 85 N -0.19 0.13 -0.23 1.67 0.00 -0.36 0.17 119.26 120.45 1k3g h ALA 85 Ca -0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 85 Cb 0.65 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1k3g h ALA 85 CO -0.11 -0.52 0.14 0.00 0.00 0.00 0.00 179.25 178.76 1k3g h ALA 86 N 1.19 0.29 -0.13 0.00 0.00 -0.78 0.28 119.26 120.11 1k3g h ALA 86 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 86 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1k3g h ALA 86 CO -0.37 -0.21 -0.06 2.35 0.00 0.00 0.00 179.25 180.97 1k3g h TRP 87 N 0.28 -0.14 -0.47 0.00 7.01 -0.51 0.69 115.95 122.80 1k3g h TRP 87 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1k3g h TRP 87 Cb 0.01 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1k3g h TRP 87 CO -0.05 -0.10 0.27 -0.07 -2.79 0.00 0.00 178.44 175.70 1k3g h LEU 88 N -0.05 0.57 -0.52 0.65 -0.00 -0.39 0.59 115.31 116.16 1k3g h LEU 88 Ca 0.07 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 1k3g h LEU 88 Cb 0.16 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1k3g h LEU 88 CO -0.16 0.45 -0.09 0.00 -0.00 0.00 0.00 178.44 178.64 1k3g h ALA 89 N 1.65 0.71 -0.91 1.53 0.00 0.38 -2.11 119.26 120.51 1k3g h ALA 89 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k3g h ALA 89 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1k3g h ALA 89 CO -0.03 0.60 0.51 0.93 0.00 0.00 0.00 179.25 181.26 1k3g h GLU 90 N 0.84 1.25 -6.31 0.00 4.39 -0.04 -3.40 114.58 111.31 1k3g h GLU 90 Ca 0.14 -0.14 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1k3g h GLU 90 Cb 0.65 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1k3g h GLU 90 CO 0.04 0.91 1.18 0.15 -1.16 0.00 0.00 179.01 180.13 1k3g s LYS 91 N -5.88 3.21 0.00 2.33 1.02 0.12 -5.00 119.74 115.55 1k3g s LYS 91 Ca -0.13 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1k3g s LYS 91 Cb 0.17 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1k3g s LYS 91 CO 0.83 -2.03 0.00 0.36 -0.92 0.00 0.00 175.35 173.59