#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 5.72 0.18 4.52 1.11 -1.26 -4.87 116.67 122.08 1k3g s ASP 23 Ca 0.00 -0.32 -0.21 0.00 0.18 0.00 0.00 52.55 52.20 1k3g s ASP 23 Cb 0.00 -2.55 0.11 0.00 1.07 0.00 0.00 42.92 41.55 1k3g s ASP 23 CO 0.00 -2.13 1.58 0.00 1.18 0.00 0.00 175.17 175.81 1k3g h ALA 24 N 12.04 -0.08 -0.34 5.23 0.00 -1.91 0.33 119.26 134.53 1k3g h ALA 24 Ca -0.16 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 24 Cb 1.08 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 19.60 1k3g h ALA 24 CO 1.27 -0.69 -0.17 1.05 0.00 0.00 0.00 179.25 180.70 1k3g h GLU 25 N -0.17 -0.12 -0.43 0.00 4.11 -1.93 0.93 114.58 116.96 1k3g h GLU 25 Ca 0.23 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1k3g h GLU 25 Cb 0.55 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1k3g h GLU 25 CO -0.68 -0.08 0.28 0.00 0.07 0.00 0.00 179.01 178.60 1k3g h ALA 26 N 1.11 0.55 0.43 1.06 0.00 -1.45 0.17 119.26 121.13 1k3g h ALA 26 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 26 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1k3g h ALA 26 CO -0.41 0.02 -0.29 0.28 0.00 0.00 0.00 179.25 178.84 1k3g h VAL 27 N 0.58 0.39 -0.43 0.00 2.07 -0.68 -2.80 116.25 115.39 1k3g h VAL 27 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1k3g h VAL 27 Cb -0.04 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1k3g h VAL 27 CO -0.03 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.15 1k3g h VAL 28 N -0.70 0.68 0.00 2.57 2.07 -0.51 0.19 116.25 120.55 1k3g h VAL 28 Ca -0.04 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1k3g h VAL 28 Cb 0.59 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1k3g h VAL 28 CO 0.03 0.02 0.44 1.56 0.02 0.00 0.00 177.57 179.64 1k3g h GLN 29 N 0.12 0.00 -0.60 1.57 1.08 -0.50 0.17 115.11 116.94 1k3g h GLN 29 Ca 0.21 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.13 1k3g h GLN 29 Cb 0.30 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 27.36 1k3g h GLN 29 CO -0.34 0.00 -1.05 0.94 -0.95 0.00 0.00 178.83 177.43 1k3g n GLN 30 N -2.72 1.44 0.00 1.46 7.27 0.45 -4.74 117.38 120.54 1k3g n GLN 30 Ca -0.02 -3.15 0.00 0.00 0.07 0.00 0.00 57.00 53.91 1k3g n GLN 30 Cb 0.48 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.90 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 -0.45 0.00 -0.13 3.69 5.02 0.06 -4.97 118.16 121.38 1k3g n LYS 31 Ca 0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 1k3g n LYS 31 Cb 0.82 -0.07 -0.10 0.00 -0.02 0.00 0.00 35.03 35.66 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 -1.00 0.47 -1.36 0.00 -0.00 -1.39 -0.38 117.51 113.85 1k3g h ILE 33 Ca -0.57 0.00 0.45 0.00 -0.00 0.00 0.00 64.86 64.74 1k3g h ILE 33 Cb 1.49 0.96 -0.13 0.00 -0.00 0.00 0.00 36.82 39.14 1k3g h ILE 33 CO -0.35 0.00 0.88 0.28 -0.00 0.00 0.00 178.15 178.96 1k3g h SER 34 N 0.00 0.22 0.00 2.16 0.02 -1.79 0.18 113.55 114.34 1k3g h SER 34 Ca 0.02 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1k3g h SER 34 Cb 0.12 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1k3g h SER 34 CO -0.00 -0.20 -1.06 0.00 -1.14 0.00 0.00 176.83 174.43 1k3g n HIS 36 N -2.67 0.00 0.00 0.00 8.25 -0.27 -0.52 115.22 120.01 1k3g n HIS 36 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1k3g n HIS 36 Cb 0.52 -0.48 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 0.43 -1.02 0.36 -1.41 0.00 0.64 -0.69 105.19 103.49 1k3g n GLY 37 Ca 0.05 -1.45 0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 1.89 -0.76 -0.02 0.00 -1.95 0.11 103.07 102.34 1k3g h GLY 38 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1k3g h GLY 38 CO 0.00 -0.42 -0.17 1.34 0.00 0.00 0.00 176.54 177.29 1k3g n ASP 39 N -4.95 1.86 -0.07 0.19 2.03 -1.26 -4.94 116.55 109.41 1k3g n ASP 39 Ca 0.31 -1.47 -0.01 0.00 0.52 0.00 0.00 54.79 54.14 1k3g n ASP 39 Cb 0.99 0.14 -0.00 0.00 -0.72 0.00 0.00 41.12 41.53 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 0.21 0.28 -0.16 -2.67 4.77 0.37 -4.79 117.00 115.00 1k3g n LEU 40 Ca 0.14 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1k3g n LEU 40 Cb 0.44 -1.28 0.79 0.00 -2.33 0.00 0.00 43.42 41.03 1k3g n LEU 40 CO 0.21 -0.39 1.02 0.35 -1.33 0.00 0.00 177.39 177.25 1k3g n THR 41 N -2.63 0.00 0.00 -5.08 -2.24 -1.12 -1.40 114.28 101.80 1k3g n THR 41 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1k3g n THR 41 Cb 0.20 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.08 -0.45 1.38 3.38 0.00 0.13 -4.30 105.19 106.41 1k3g n GLY 42 Ca 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.22 1.10 0.39 4.61 0.00 -1.11 -4.58 120.51 121.14 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 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.03 3.39 -3.75 0.00 7.64 0.32 -5.00 113.62 114.19 1k3g n SER 44 Ca 0.00 -1.99 -0.10 0.00 1.01 0.00 0.00 58.87 57.80 1k3g n SER 44 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.54 -0.92 0.78 -0.43 0.00 -1.18 -4.96 121.76 113.52 1k3g s ALA 45 Ca 0.37 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1k3g s ALA 45 Cb 0.22 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.26 1k3g s ALA 45 CO 0.31 -0.81 1.10 -1.25 0.00 0.00 0.00 175.76 175.11 1k3g s PRO 46 N -3.88 2.17 0.01 0.00 0.04 -1.26 -4.29 135.00 127.78 1k3g s PRO 46 Ca 0.10 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1k3g s PRO 46 Cb -0.01 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1k3g s PRO 46 CO -0.02 -1.72 1.27 0.00 0.04 0.00 0.00 177.00 176.57 1k3g s ALA 47 N -2.85 3.49 -1.70 8.56 0.00 -1.26 -4.35 121.76 123.66 1k3g s ALA 47 Ca 0.62 0.81 0.14 0.00 0.00 0.00 0.00 51.96 53.54 1k3g s ALA 47 Cb -0.18 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.60 1k3g s ALA 47 CO 0.55 -0.69 1.04 0.44 0.00 0.00 0.00 175.76 177.10 1k3g n ILE 48 N 4.35 0.20 -0.26 0.00 -5.35 -0.59 -4.61 119.36 113.10 1k3g n ILE 48 Ca 0.11 -0.60 0.14 0.00 -0.27 0.00 0.00 62.75 62.12 1k3g n ILE 48 Cb 0.45 1.14 0.26 0.00 -1.74 0.00 0.00 39.64 39.76 1k3g n ILE 48 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k3g n ASP 49 N 0.82 -0.03 -1.08 7.28 5.75 -0.50 -0.55 116.55 128.25 1k3g n ASP 49 Ca 0.10 1.29 -0.02 0.00 -0.01 0.00 0.00 54.79 56.15 1k3g n ASP 49 Cb 0.39 -0.50 0.21 0.00 -1.03 0.00 0.00 41.12 40.19 1k3g n ASP 49 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1k3g n LYS 50 N -5.00 1.94 -0.21 0.11 2.85 -1.26 -2.55 118.16 114.04 1k3g n LYS 50 Ca 0.20 -3.13 -0.04 0.00 -1.05 0.00 0.00 58.31 54.29 1k3g n LYS 50 Cb 0.66 -1.80 0.07 0.00 -0.65 0.00 0.00 35.03 33.30 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 1.07 0.78 -0.53 0.58 0.00 -0.98 -2.74 119.26 117.45 1k3g h ALA 51 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1k3g h ALA 51 Cb 1.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1k3g h ALA 51 CO 0.34 0.04 0.39 0.78 0.00 0.00 0.00 179.25 180.80 1k3g h GLY 52 N 0.66 0.00 0.83 0.00 0.00 -1.50 0.20 103.07 103.26 1k3g h GLY 52 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.41 1k3g h GLY 52 CO -0.14 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.69 1k3g h ALA 53 N 1.71 0.05 -0.14 3.60 0.00 -1.68 -3.37 119.26 119.44 1k3g h ALA 53 Ca 0.25 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1k3g h ALA 53 Cb 1.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1k3g h ALA 53 CO -0.00 0.40 -0.02 -0.91 0.00 0.00 0.00 179.25 178.72 1k3g h ASN 54 N -0.08 0.25 -3.63 0.00 2.35 -0.76 -3.45 115.58 110.27 1k3g h ASN 54 Ca -0.10 -0.34 -0.34 0.00 -0.55 0.00 0.00 56.30 54.98 1k3g h ASN 54 Cb 1.43 -0.07 -0.32 0.00 0.05 0.00 0.00 38.32 39.41 1k3g h ASN 54 CO 0.14 0.53 -0.75 -0.31 -1.65 0.00 0.00 177.43 175.39 1k3g s TYR 55 N -4.86 0.41 0.95 1.19 2.02 0.48 -5.12 117.35 112.43 1k3g s TYR 55 Ca -0.14 -0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 1k3g s TYR 55 Cb 0.05 -0.38 0.16 0.00 -0.40 0.00 0.00 41.96 41.39 1k3g s TYR 55 CO 0.72 -0.09 1.15 -1.54 -1.57 0.00 0.00 175.55 174.22 1k3g s SER 56 N 0.57 3.12 0.25 2.29 1.04 -1.26 -3.87 113.70 115.84 1k3g s SER 56 Ca -0.06 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 1k3g s SER 56 Cb -0.09 -1.32 0.51 0.00 0.10 0.00 0.00 66.02 65.21 1k3g s SER 56 CO -0.01 -2.78 1.69 1.05 0.98 0.00 0.00 173.24 174.17 1k3g h GLU 57 N -1.66 0.28 -0.29 4.02 9.09 -1.89 0.18 114.58 124.30 1k3g h GLU 57 Ca -0.49 -0.02 0.02 0.00 0.05 0.00 0.00 59.36 58.92 1k3g h GLU 57 Cb 1.32 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1k3g h GLU 57 CO 0.56 0.19 0.20 0.93 0.05 0.00 0.00 179.01 180.93 1k3g h GLU 58 N 0.29 0.30 0.10 1.06 5.08 -1.92 0.20 114.58 119.68 1k3g h GLU 58 Ca 0.44 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.51 1k3g h GLU 58 Cb 0.77 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1k3g h GLU 58 CO -0.52 0.20 -1.42 0.93 -1.00 0.00 0.00 179.01 177.20 1k3g h GLU 59 N 0.31 0.20 -0.45 2.33 5.08 -1.13 -3.03 114.58 117.88 1k3g h GLU 59 Ca 0.12 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1k3g h GLU 59 Cb 0.09 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1k3g h GLU 59 CO -0.02 1.17 0.20 0.82 -1.00 0.00 0.00 179.01 180.18 1k3g h ILE 60 N -0.38 0.93 -0.30 3.13 2.04 -0.60 -1.61 117.51 120.71 1k3g h ILE 60 Ca -0.32 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1k3g h ILE 60 Cb 1.71 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 1k3g h ILE 60 CO 0.02 0.07 -0.05 0.25 0.00 0.00 0.00 178.15 178.45 1k3g h LEU 61 N 0.41 -0.22 -0.42 1.44 5.85 -0.72 0.97 115.31 122.60 1k3g h LEU 61 Ca 0.20 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.09 1k3g h LEU 61 Cb 0.14 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 1k3g h LEU 61 CO -0.17 -0.07 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.04 1k3g h ASP 62 N 0.03 -0.26 0.17 1.25 1.82 -1.25 0.18 116.42 118.36 1k3g h ASP 62 Ca 0.15 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1k3g h ASP 62 Cb 0.21 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1k3g h ASP 62 CO -0.29 -0.09 -0.17 0.40 -1.61 0.00 0.00 179.24 177.48 1k3g h ILE 63 N 0.06 0.61 -0.85 2.25 2.04 -0.58 0.33 117.51 121.38 1k3g h ILE 63 Ca 0.21 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.22 1k3g h ILE 63 Cb 0.31 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.91 1k3g h ILE 63 CO -0.39 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.59 1k3g h ILE 64 N -0.38 0.69 -0.12 -0.67 2.04 0.17 0.21 117.51 119.45 1k3g h ILE 64 Ca 0.00 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.48 1k3g h ILE 64 Cb 0.36 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1k3g h ILE 64 CO -0.05 0.11 -0.68 -0.07 0.00 0.00 0.00 178.15 177.46 1k3g h LEU 65 N 0.59 0.59 -3.04 1.44 3.38 -0.15 -2.19 115.31 115.93 1k3g h LEU 65 Ca 0.47 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k3g h LEU 65 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1k3g h LEU 65 CO -0.39 1.11 0.00 0.59 0.09 0.00 0.00 178.44 179.84 1k3g n ASN 66 N -3.89 2.67 0.00 -0.43 3.02 0.11 -1.92 115.26 114.82 1k3g n ASN 66 Ca -0.04 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1k3g n ASN 66 Cb 0.68 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.67 0.65 0.00 7.41 0.00 0.66 -4.43 105.19 108.81 1k3g n GLY 67 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 6.54 0.00 0.00 1.61 -0.06 -0.41 -4.57 117.38 120.49 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 -0.11 2.27 0.21 1.69 0.00 -1.26 0.39 105.19 108.37 1k3g n GLY 69 Ca 0.00 0.36 0.14 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 -5.49 -0.02 0.00 -2.01 -3.44 103.07 92.11 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 1.01 -0.29 0.00 0.00 0.00 176.54 177.26 1k3g s MET 71 N -3.38 4.08 -0.15 4.80 0.00 0.16 -4.98 119.30 119.82 1k3g s MET 71 Ca 0.05 1.75 -0.29 0.00 0.00 0.00 0.00 55.69 57.19 1k3g s MET 71 Cb 0.08 -3.90 -0.01 0.00 0.00 0.00 0.00 34.83 31.00 1k3g s MET 71 CO 0.56 -0.93 1.11 -1.25 0.00 0.00 0.00 175.02 174.50 1k3g s PRO 72 N 4.00 4.32 0.34 4.11 0.04 -1.26 -1.29 135.00 145.25 1k3g s PRO 72 Ca 0.64 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1k3g s PRO 72 Cb -0.25 -3.62 -0.12 0.00 0.04 0.00 0.00 34.50 30.56 1k3g s PRO 72 CO 0.23 -0.52 1.49 0.41 0.04 0.00 0.00 177.00 178.65 1k3g n GLY 73 N 3.32 1.13 1.43 0.56 0.00 -1.26 -3.55 105.19 106.82 1k3g n GLY 73 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.13 0.82 0.21 -0.02 0.00 -0.81 -4.70 105.19 101.82 1k3g n GLY 74 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.62 -2.86 -0.61 2.04 -1.61 -3.40 117.51 111.68 1k3g h ILE 75 Ca 0.00 0.00 -0.60 0.00 1.00 0.00 0.00 64.86 65.26 1k3g h ILE 75 Cb 0.83 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1k3g h ILE 75 CO 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.64 1k3g s ALA 76 N -6.12 3.91 0.04 1.87 0.00 -1.26 -5.06 121.76 115.14 1k3g s ALA 76 Ca -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1k3g s ALA 76 Cb 0.07 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1k3g s ALA 76 CO 0.65 0.74 0.08 0.15 0.00 0.00 0.00 175.76 177.39 1k3g s LYS 77 N -2.68 0.60 1.06 0.00 1.02 -1.26 -4.70 119.74 113.78 1k3g s LYS 77 Ca 0.34 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1k3g s LYS 77 Cb -0.12 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1k3g s LYS 77 CO 0.27 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1k3g n GLY 78 N 0.64 -2.01 0.41 -3.33 0.00 -1.26 -4.08 105.19 95.56 1k3g n GLY 78 Ca -0.18 -1.40 0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.09 2.26 -0.99 4.61 0.00 -2.00 0.70 119.26 123.75 1k3g h ALA 79 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 79 Cb 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 79 CO 0.00 -0.81 -0.55 -1.91 0.00 0.00 0.00 179.25 175.98 1k3g n GLU 80 N -3.69 -0.40 -0.05 0.00 2.13 -1.26 -0.52 120.64 116.84 1k3g n GLU 80 Ca 0.10 1.51 -0.10 0.00 0.66 0.00 0.00 57.16 59.32 1k3g n GLU 80 Cb 0.75 -2.22 -0.04 0.00 0.27 0.00 0.00 31.44 30.20 1k3g n GLU 80 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k3g h ALA 81 N 0.67 0.27 -0.11 4.31 0.00 -1.03 -0.33 119.26 123.02 1k3g h ALA 81 Ca 0.20 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1k3g h ALA 81 Cb 0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1k3g h ALA 81 CO -0.94 -0.21 -0.39 0.93 0.00 0.00 0.00 179.25 178.63 1k3g h GLU 82 N 0.24 -0.46 -0.32 0.00 5.08 -1.54 0.67 114.58 118.27 1k3g h GLU 82 Ca 0.07 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1k3g h GLU 82 Cb 0.04 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1k3g h GLU 82 CO -0.01 -0.31 -0.04 0.00 -1.00 0.00 0.00 179.01 177.66 1k3g h ALA 83 N 0.19 0.25 0.27 3.43 0.00 -0.41 0.14 119.26 123.13 1k3g h ALA 83 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1k3g h ALA 83 Cb 0.61 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1k3g h ALA 83 CO -0.37 -0.43 -0.27 0.28 0.00 0.00 0.00 179.25 178.46 1k3g h VAL 84 N 0.05 0.43 -0.33 0.00 2.07 -0.72 0.72 116.25 118.47 1k3g h VAL 84 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 84 Cb 0.22 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1k3g h VAL 84 CO -0.29 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.13 1k3g h ALA 85 N 0.05 0.08 -0.34 1.67 0.00 -0.42 0.15 119.26 120.45 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 0.52 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1k3g h ALA 85 CO -0.05 -0.55 0.22 0.00 0.00 0.00 0.00 179.25 178.86 1k3g h ALA 86 N 1.12 0.43 -0.28 0.00 0.00 -0.59 0.26 119.26 120.19 1k3g h ALA 86 Ca 0.17 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 86 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1k3g h ALA 86 CO -0.40 -0.09 0.08 2.35 0.00 0.00 0.00 179.25 181.19 1k3g h TRP 87 N 0.45 0.14 -0.39 0.00 7.01 -0.44 -1.80 115.95 120.92 1k3g h TRP 87 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 1k3g h TRP 87 Cb -0.03 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1k3g h TRP 87 CO -0.05 0.06 0.23 -0.07 -2.79 0.00 0.00 178.44 175.82 1k3g h LEU 88 N 0.20 0.45 -1.26 0.65 -0.00 -0.16 -0.50 115.31 114.69 1k3g h LEU 88 Ca 0.13 -0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.12 1k3g h LEU 88 Cb 0.11 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.59 1k3g h LEU 88 CO -0.15 0.35 0.57 0.00 -0.00 0.00 0.00 178.44 179.22 1k3g h ALA 89 N 1.73 1.77 -0.49 1.53 0.00 0.37 0.99 119.26 125.16 1k3g h ALA 89 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 89 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1k3g h ALA 89 CO -0.03 0.00 0.10 -1.91 0.00 0.00 0.00 179.25 177.42 1k3g n GLU 90 N -4.56 3.51 -3.94 0.00 2.13 -0.23 -4.53 120.64 113.02 1k3g n GLU 90 Ca 0.17 -2.32 -0.35 0.00 0.66 0.00 0.00 57.16 55.32 1k3g n GLU 90 Cb 0.42 -2.03 -0.14 0.00 0.27 0.00 0.00 31.44 29.95 1k3g n GLU 90 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1k3g s LYS 91 N -2.34 3.28 0.00 5.31 1.02 0.33 -5.06 119.74 122.28 1k3g s LYS 91 Ca 0.41 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1k3g s LYS 91 Cb 0.32 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1k3g s LYS 91 CO 0.11 -0.22 0.00 1.63 -0.92 0.00 0.00 175.35 175.95