#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 5.54 -0.14 4.52 1.11 -1.26 -4.91 116.67 121.53 1k3g s ASP 23 Ca 0.00 1.75 -0.13 0.00 0.18 0.00 0.00 52.55 54.35 1k3g s ASP 23 Cb 0.00 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1k3g s ASP 23 CO 0.00 -1.33 -0.25 0.00 1.18 0.00 0.00 175.17 174.77 1k3g n ALA 24 N -2.53 0.63 -0.27 5.23 0.00 -1.26 -4.02 120.51 118.29 1k3g n ALA 24 Ca 0.08 -0.63 0.06 0.00 0.00 0.00 0.00 53.44 52.96 1k3g n ALA 24 Cb 0.53 0.02 0.20 0.00 0.00 0.00 0.00 19.45 20.21 1k3g n ALA 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k3g h GLU 25 N -0.81 0.48 -0.66 0.00 4.11 -1.95 -0.45 114.58 115.30 1k3g h GLU 25 Ca 0.00 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.43 1k3g h GLU 25 Cb 0.71 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1k3g h GLU 25 CO 0.00 0.32 0.41 0.00 0.07 0.00 0.00 179.01 179.81 1k3g h ALA 26 N 1.56 0.86 0.27 1.06 0.00 -1.98 0.22 119.26 121.25 1k3g h ALA 26 Ca 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1k3g h ALA 26 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1k3g h ALA 26 CO -0.40 0.16 -0.13 0.28 0.00 0.00 0.00 179.25 179.17 1k3g h VAL 27 N 0.80 0.77 -0.48 0.00 2.07 -1.38 -2.70 116.25 115.33 1k3g h VAL 27 Ca 0.27 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1k3g h VAL 27 Cb 0.03 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 1k3g h VAL 27 CO -0.11 0.07 0.02 0.58 0.02 0.00 0.00 177.57 178.15 1k3g h VAL 28 N -0.53 0.64 -0.43 2.57 2.07 -0.69 0.19 116.25 120.07 1k3g h VAL 28 Ca -0.04 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1k3g h VAL 28 Cb 0.39 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1k3g h VAL 28 CO 0.06 0.02 0.57 1.56 0.02 0.00 0.00 177.57 179.81 1k3g h GLN 29 N 0.13 0.00 -1.65 1.57 1.08 -0.46 -0.17 115.11 115.60 1k3g h GLN 29 Ca 0.24 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 57.00 1k3g h GLN 29 Cb 0.36 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 27.42 1k3g h GLN 29 CO -0.39 0.00 -1.10 1.04 -0.95 0.00 0.00 178.83 177.43 1k3g n GLN 30 N -3.45 0.99 0.00 1.46 1.13 0.57 -4.73 117.38 113.34 1k3g n GLN 30 Ca 0.08 -3.18 0.00 0.00 -1.94 0.00 0.00 57.00 51.96 1k3g n GLN 30 Cb 0.74 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.52 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1k3g n LYS 31 N 0.25 0.00 -0.11 -1.09 5.02 -0.63 -4.90 118.16 116.70 1k3g n LYS 31 Ca 0.21 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 1k3g n LYS 31 Cb 0.68 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.95 0.51 -1.31 0.00 -0.00 -1.33 -0.27 117.51 114.17 1k3g h ILE 33 Ca -0.43 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 64.88 1k3g h ILE 33 Cb 1.35 0.87 -0.12 0.00 -0.00 0.00 0.00 36.82 38.92 1k3g h ILE 33 CO -0.26 0.00 0.86 -1.20 -0.00 0.00 0.00 178.15 177.55 1k3g n SER 34 N -3.87 0.18 0.00 2.16 7.64 -1.26 -0.22 113.62 118.25 1k3g n SER 34 Ca 0.01 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1k3g n SER 34 Cb 0.28 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.66 0.00 0.00 0.00 8.25 -0.25 -0.29 115.22 120.26 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 0.48 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.02 -0.66 0.40 -1.41 0.00 0.69 -0.60 105.19 103.64 1k3g n GLY 37 Ca 0.05 -1.52 0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 1.57 -1.71 -0.02 0.00 -1.94 0.13 103.07 101.09 1k3g h GLY 38 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1k3g h GLY 38 CO 0.00 -0.38 0.00 1.22 0.00 0.00 0.00 176.54 177.38 1k3g n ASP 39 N -4.82 2.78 -0.85 0.19 9.92 -1.26 -4.95 116.55 117.57 1k3g n ASP 39 Ca 0.33 -1.92 -0.11 0.00 -0.53 0.00 0.00 54.79 52.56 1k3g n ASP 39 Cb 1.15 -0.01 -0.05 0.00 -0.64 0.00 0.00 41.12 41.57 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 1.17 -0.59 -0.12 0.64 4.32 0.44 -4.78 117.00 118.08 1k3g n LEU 40 Ca 0.15 0.27 0.14 0.00 -0.02 0.00 0.00 56.01 56.55 1k3g n LEU 40 Cb 0.56 -2.17 0.60 0.00 -1.62 0.00 0.00 43.42 40.79 1k3g n LEU 40 CO 0.15 -0.79 0.86 0.35 -1.22 0.00 0.00 177.39 176.74 1k3g n THR 41 N -2.47 0.00 -0.06 -5.08 -2.24 -1.09 -1.51 114.28 101.83 1k3g n THR 41 Ca -0.11 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1k3g n THR 41 Cb 0.47 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.28 -0.64 0.00 3.38 0.00 0.23 -4.32 105.19 105.13 1k3g n GLY 42 Ca 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 1.49 1.99 1.38 4.61 0.00 -1.11 -4.79 120.51 124.09 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 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.99 1.45 -3.66 0.00 7.64 0.60 -4.95 113.62 113.73 1k3g n SER 44 Ca 0.00 -1.60 -0.10 0.00 1.01 0.00 0.00 58.87 58.18 1k3g n SER 44 Cb 0.00 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.87 -1.30 0.73 -0.43 0.00 -1.20 -4.95 121.76 112.74 1k3g s ALA 45 Ca 0.34 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1k3g s ALA 45 Cb 0.18 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.21 1k3g s ALA 45 CO 0.29 -0.88 1.11 -1.25 0.00 0.00 0.00 175.76 175.02 1k3g s PRO 46 N -3.84 2.38 0.04 0.00 0.04 -1.26 -4.28 135.00 128.08 1k3g s PRO 46 Ca 0.07 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1k3g s PRO 46 Cb -0.03 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1k3g s PRO 46 CO -0.03 -1.56 1.24 0.00 0.04 0.00 0.00 177.00 176.69 1k3g s ALA 47 N -2.61 3.45 -1.99 8.56 0.00 -1.26 -4.45 121.76 123.45 1k3g s ALA 47 Ca 0.65 0.85 0.16 0.00 0.00 0.00 0.00 51.96 53.61 1k3g s ALA 47 Cb -0.19 -3.48 0.13 0.00 0.00 0.00 0.00 23.12 19.58 1k3g s ALA 47 CO 0.50 -0.55 1.02 0.44 0.00 0.00 0.00 175.76 177.16 1k3g n ILE 48 N 4.11 0.02 -0.37 0.00 -5.35 -0.61 -4.55 119.36 112.62 1k3g n ILE 48 Ca 0.10 -0.51 0.34 0.00 -0.27 0.00 0.00 62.75 62.41 1k3g n ILE 48 Cb 0.46 1.32 0.60 0.00 -1.74 0.00 0.00 39.64 40.27 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 0.90 0.28 -1.14 7.28 2.03 -0.57 -0.21 116.55 125.13 1k3g n ASP 49 Ca 0.10 1.47 -0.04 0.00 0.52 0.00 0.00 54.79 56.84 1k3g n ASP 49 Cb 0.40 -0.72 0.20 0.00 -0.72 0.00 0.00 41.12 40.28 1k3g n ASP 49 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1k3g n LYS 50 N -4.92 1.81 -0.13 -0.67 2.85 -1.26 -3.52 118.16 112.32 1k3g n LYS 50 Ca 0.37 -3.22 -0.12 0.00 -1.05 0.00 0.00 58.31 54.30 1k3g n LYS 50 Cb 1.35 -1.80 -0.02 0.00 -0.65 0.00 0.00 35.03 33.90 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 1.01 0.54 -0.65 0.58 0.00 -0.75 -3.04 119.26 116.94 1k3g h ALA 51 Ca 0.21 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1k3g h ALA 51 Cb 1.61 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1k3g h ALA 51 CO 0.37 0.49 0.47 0.78 0.00 0.00 0.00 179.25 181.36 1k3g h GLY 52 N 0.61 0.00 0.26 0.00 0.00 -1.43 0.24 103.07 102.74 1k3g h GLY 52 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1k3g h GLY 52 CO 0.06 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.85 1k3g h ALA 53 N 1.66 0.08 -0.67 3.60 0.00 -1.76 -3.38 119.26 118.79 1k3g h ALA 53 Ca 0.31 -0.82 0.08 0.00 0.00 0.00 0.00 54.91 54.47 1k3g h ALA 53 Cb 1.25 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1k3g h ALA 53 CO -0.00 0.41 0.34 -0.91 0.00 0.00 0.00 179.25 179.09 1k3g h ASN 54 N -0.72 0.47 -3.61 0.00 2.35 -1.04 -3.43 115.58 109.60 1k3g h ASN 54 Ca -0.17 0.05 -0.28 0.00 -0.55 0.00 0.00 56.30 55.35 1k3g h ASN 54 Cb 1.36 -0.04 -0.32 0.00 0.05 0.00 0.00 38.32 39.38 1k3g h ASN 54 CO -0.00 0.29 -0.73 -0.31 -1.65 0.00 0.00 177.43 175.03 1k3g s TYR 55 N -6.08 0.05 0.93 1.19 2.02 0.69 -5.10 117.35 111.04 1k3g s TYR 55 Ca -0.13 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.51 1k3g s TYR 55 Cb 0.17 -0.16 0.15 0.00 -0.40 0.00 0.00 41.96 41.72 1k3g s TYR 55 CO 0.76 -0.06 1.14 -1.12 -1.57 0.00 0.00 175.55 174.71 1k3g s SER 56 N 0.62 3.37 0.14 2.29 0.01 -1.26 -4.03 113.70 114.84 1k3g s SER 56 Ca -0.05 0.92 -0.32 0.00 1.31 0.00 0.00 55.95 57.80 1k3g s SER 56 Cb -0.08 -1.45 -0.09 0.00 0.21 0.00 0.00 66.02 64.61 1k3g s SER 56 CO -0.02 -2.63 1.55 -0.08 0.41 0.00 0.00 173.24 172.47 1k3g h GLU 57 N -1.55 -0.35 -0.90 12.44 4.81 -1.88 0.13 114.58 127.28 1k3g h GLU 57 Ca -0.50 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1k3g h GLU 57 Cb 1.33 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.74 1k3g h GLU 57 CO 0.60 -0.23 0.63 0.93 -0.73 0.00 0.00 179.01 180.20 1k3g h GLU 58 N -0.36 0.14 0.04 1.92 3.07 -1.93 0.26 114.58 117.71 1k3g h GLU 58 Ca 0.09 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1k3g h GLU 58 Cb 0.58 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1k3g h GLU 58 CO -0.62 0.09 -0.33 0.93 -1.40 0.00 0.00 179.01 177.68 1k3g h GLU 59 N 0.14 0.08 -0.26 2.33 4.39 -1.24 -2.62 114.58 117.41 1k3g h GLU 59 Ca 0.44 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1k3g h GLU 59 Cb 1.52 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1k3g h GLU 59 CO -0.07 1.07 0.14 0.82 -1.16 0.00 0.00 179.01 179.80 1k3g h ILE 60 N -0.82 1.13 -0.38 3.13 2.04 -0.10 -0.30 117.51 122.20 1k3g h ILE 60 Ca -0.07 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.53 1k3g h ILE 60 Cb 1.20 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1k3g h ILE 60 CO 0.03 0.13 -0.11 0.25 0.00 0.00 0.00 178.15 178.44 1k3g h LEU 61 N 0.30 -0.39 -0.73 1.44 5.85 -0.64 0.21 115.31 121.35 1k3g h LEU 61 Ca 0.09 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1k3g h LEU 61 Cb 0.08 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1k3g h LEU 61 CO -0.01 -0.14 0.43 -0.78 -0.34 0.00 0.00 178.44 177.60 1k3g h ASP 62 N -0.02 0.66 0.32 1.25 3.58 -1.00 0.14 116.42 121.35 1k3g h ASP 62 Ca 0.18 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1k3g h ASP 62 Cb 0.30 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1k3g h ASP 62 CO -0.40 0.42 -0.21 0.40 -2.88 0.00 0.00 179.24 176.58 1k3g h ILE 63 N 0.79 0.56 -0.90 2.25 2.04 0.14 0.11 117.51 122.50 1k3g h ILE 63 Ca 0.32 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.36 1k3g h ILE 63 Cb 0.17 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1k3g h ILE 63 CO -0.17 0.00 0.47 0.40 0.00 0.00 0.00 178.15 178.84 1k3g h ILE 64 N -0.51 0.65 -0.40 -0.67 2.04 0.32 0.31 117.51 119.24 1k3g h ILE 64 Ca -0.03 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1k3g h ILE 64 Cb 0.43 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1k3g h ILE 64 CO 0.02 0.11 -0.30 -0.07 0.00 0.00 0.00 178.15 177.91 1k3g h LEU 65 N 0.59 0.97 -3.04 1.44 3.38 -0.45 -2.26 115.31 115.94 1k3g h LEU 65 Ca 0.52 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k3g h LEU 65 Cb 0.83 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1k3g h LEU 65 CO -0.41 1.20 0.00 0.59 0.09 0.00 0.00 178.44 179.91 1k3g n ASN 66 N -4.12 2.60 0.00 -0.43 3.02 0.37 -1.96 115.26 114.74 1k3g n ASN 66 Ca -0.02 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1k3g n ASN 66 Cb 0.50 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.18 0.80 0.00 7.41 0.00 0.93 -4.41 105.19 108.73 1k3g n GLY 67 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 6.63 0.00 0.00 1.61 -0.06 -0.42 -4.57 117.38 120.57 1k3g n GLN 68 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1k3g n GLN 68 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k3g n GLY 69 N -0.13 2.14 0.27 1.69 0.00 -1.26 0.30 105.19 108.20 1k3g n GLY 69 Ca 0.00 0.35 0.17 0.00 0.00 0.00 0.00 46.02 46.55 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 -5.30 -0.02 0.00 -2.02 -3.43 103.07 92.30 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 0.94 -0.29 0.00 0.00 0.00 176.54 177.19 1k3g s MET 71 N -3.69 4.17 -0.00 4.80 0.00 0.15 -5.00 119.30 119.72 1k3g s MET 71 Ca 0.01 1.65 -0.30 0.00 0.00 0.00 0.00 55.69 57.04 1k3g s MET 71 Cb 0.09 -3.81 -0.04 0.00 0.00 0.00 0.00 34.83 31.07 1k3g s MET 71 CO 0.50 -0.80 1.20 -1.25 0.00 0.00 0.00 175.02 174.67 1k3g s PRO 72 N 3.69 4.39 0.38 4.11 0.04 -1.26 -1.30 135.00 145.04 1k3g s PRO 72 Ca 0.57 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 1k3g s PRO 72 Cb -0.22 -3.47 -0.10 0.00 0.04 0.00 0.00 34.50 30.75 1k3g s PRO 72 CO 0.18 -0.36 1.40 0.20 0.04 0.00 0.00 177.00 178.45 1k3g s GLY 73 N 1.32 2.96 0.00 0.56 0.00 -1.26 -3.85 107.32 107.04 1k3g s GLY 73 Ca 0.57 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1k3g s GLY 73 CO 0.25 2.07 0.00 0.61 0.00 0.00 0.00 173.10 176.03 1k3g n GLY 74 N 0.60 0.92 0.36 0.20 0.00 -0.83 -4.70 105.19 101.74 1k3g n GLY 74 Ca 0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 0.23 -2.91 -0.61 1.08 -1.66 -3.43 117.51 110.21 1k3g h ILE 75 Ca 0.00 -0.27 -0.60 0.00 -0.39 0.00 0.00 64.86 63.60 1k3g h ILE 75 Cb 0.79 0.30 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 1k3g h ILE 75 CO 0.00 0.03 -0.57 0.00 -0.69 0.00 0.00 178.15 176.92 1k3g s ALA 76 N -5.27 3.62 0.04 1.87 0.00 -1.26 -5.04 121.76 115.71 1k3g s ALA 76 Ca -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 1k3g s ALA 76 Cb 0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1k3g s ALA 76 CO 0.51 0.63 0.05 0.15 0.00 0.00 0.00 175.76 177.09 1k3g s LYS 77 N -2.78 0.54 2.99 0.00 -0.14 -1.26 -4.63 119.74 114.46 1k3g s LYS 77 Ca 0.31 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1k3g s LYS 77 Cb -0.11 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.24 1k3g s LYS 77 CO 0.23 -0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.11 1k3g n GLY 78 N 0.79 0.55 0.39 -3.33 0.00 -1.26 -3.33 105.19 98.99 1k3g n GLY 78 Ca -0.19 -0.88 0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.82 2.13 -0.65 4.61 0.00 -1.99 0.19 119.26 122.73 1k3g h ALA 79 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 79 Cb 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 79 CO 0.00 -0.65 -0.06 1.49 0.00 0.00 0.00 179.25 180.03 1k3g h GLU 80 N 0.00 0.06 -0.02 0.00 4.81 -1.90 0.12 114.58 117.65 1k3g h GLU 80 Ca 0.20 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1k3g h GLU 80 Cb 1.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1k3g h GLU 80 CO -0.00 0.04 -0.20 0.00 -0.73 0.00 0.00 179.01 178.12 1k3g h ALA 81 N 1.62 0.06 -0.05 2.92 0.00 -0.73 -3.19 119.26 119.89 1k3g h ALA 81 Ca 0.33 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1k3g h ALA 81 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1k3g h ALA 81 CO -0.61 0.05 -0.14 0.93 0.00 0.00 0.00 179.25 179.48 1k3g h GLU 82 N -0.43 -0.21 -0.48 0.00 5.08 -1.25 0.77 114.58 118.07 1k3g h GLU 82 Ca -0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1k3g h GLU 82 Cb 0.90 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 1k3g h GLU 82 CO 0.04 -0.14 0.10 0.00 -1.00 0.00 0.00 179.01 178.02 1k3g h ALA 83 N 0.78 0.53 0.47 3.43 0.00 -0.91 0.41 119.26 123.96 1k3g h ALA 83 Ca 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 83 Cb 0.30 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k3g h ALA 83 CO -0.17 -0.30 -0.28 0.28 0.00 0.00 0.00 179.25 178.78 1k3g h VAL 84 N 0.24 0.43 -0.48 0.00 2.07 -1.39 0.60 116.25 117.72 1k3g h VAL 84 Ca 0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.85 1k3g h VAL 84 Cb 0.30 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1k3g h VAL 84 CO -0.30 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.07 1k3g h ALA 85 N -0.21 0.13 -0.11 1.67 0.00 -0.39 0.17 119.26 120.53 1k3g h ALA 85 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 85 Cb 0.57 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1k3g h ALA 85 CO 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 179.25 178.82 1k3g h ALA 86 N 1.21 0.14 -0.04 0.00 0.00 -0.75 0.36 119.26 120.18 1k3g h ALA 86 Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 86 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1k3g h ALA 86 CO -0.55 -0.37 -0.03 2.35 0.00 0.00 0.00 179.25 180.65 1k3g h TRP 87 N 0.14 -0.06 -0.28 0.00 7.01 -0.37 -1.09 115.95 121.29 1k3g h TRP 87 Ca 0.04 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1k3g h TRP 87 Cb -0.00 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1k3g h TRP 87 CO -0.07 -0.04 0.15 -0.07 -2.79 0.00 0.00 178.44 175.62 1k3g h LEU 88 N -0.03 0.34 -1.85 0.65 3.38 -0.51 -0.60 115.31 116.68 1k3g h LEU 88 Ca 0.03 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1k3g h LEU 88 Cb 0.07 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1k3g h LEU 88 CO -0.06 0.28 0.40 0.00 0.09 0.00 0.00 178.44 179.15 1k3g h ALA 89 N 1.78 2.33 0.11 1.53 0.00 0.10 0.88 119.26 125.99 1k3g h ALA 89 Ca 0.10 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 1k3g h ALA 89 Cb 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1k3g h ALA 89 CO -0.02 -0.49 -1.20 0.93 0.00 0.00 0.00 179.25 178.47 1k3g h GLU 90 N 0.15 0.53 -6.42 0.00 5.08 -0.74 -3.43 114.58 109.76 1k3g h GLU 90 Ca 0.28 -0.71 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 1k3g h GLU 90 Cb 0.88 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1k3g h GLU 90 CO -0.04 1.31 1.10 0.15 -1.00 0.00 0.00 179.01 180.53 1k3g s LYS 91 N -2.96 3.63 0.00 2.33 1.02 0.29 -4.99 119.74 119.06 1k3g s LYS 91 Ca -0.08 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1k3g s LYS 91 Cb 0.06 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 1k3g s LYS 91 CO 0.91 -1.50 0.00 0.36 -0.92 0.00 0.00 175.35 174.21