#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 6.76 -0.01 6.55 2.15 -1.26 -4.92 116.67 125.94 1k3g s ASP 23 Ca 0.00 -2.55 -0.25 0.00 0.43 0.00 0.00 52.55 50.18 1k3g s ASP 23 Cb 0.00 -2.27 -0.18 0.00 -0.30 0.00 0.00 42.92 40.17 1k3g s ASP 23 CO 0.00 -0.71 1.23 0.00 -0.17 0.00 0.00 175.17 175.53 1k3g h ALA 24 N 8.03 -0.20 -0.37 3.66 0.00 -1.92 -1.78 119.26 126.67 1k3g h ALA 24 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 24 Cb 1.02 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1k3g h ALA 24 CO 0.88 -0.41 0.08 1.05 0.00 0.00 0.00 179.25 180.86 1k3g h GLU 25 N -0.61 0.20 -0.49 0.00 4.11 -1.91 -0.68 114.58 115.19 1k3g h GLU 25 Ca -0.02 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.45 1k3g h GLU 25 Cb 0.46 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1k3g h GLU 25 CO 0.03 0.13 0.23 0.00 0.07 0.00 0.00 179.01 179.48 1k3g h ALA 26 N 1.27 0.62 0.34 1.06 0.00 -1.93 0.23 119.26 120.85 1k3g h ALA 26 Ca 0.18 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k3g h ALA 26 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1k3g h ALA 26 CO -0.22 -0.13 -0.36 0.28 0.00 0.00 0.00 179.25 178.82 1k3g h VAL 27 N 0.46 0.26 -0.46 0.00 2.07 -0.96 -2.40 116.25 115.22 1k3g h VAL 27 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.83 1k3g h VAL 27 Cb 0.16 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1k3g h VAL 27 CO -0.17 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 177.96 1k3g h VAL 28 N -0.73 0.61 0.00 2.57 2.07 -0.51 0.12 116.25 120.37 1k3g h VAL 28 Ca -0.02 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1k3g h VAL 28 Cb 0.67 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1k3g h VAL 28 CO -0.08 0.01 0.05 0.00 0.02 0.00 0.00 177.57 177.58 1k3g n GLN 29 N -5.26 0.00 -0.34 1.57 1.13 0.76 -0.90 117.38 114.34 1k3g n GLN 29 Ca 0.04 0.35 0.01 0.00 -1.94 0.00 0.00 57.00 55.46 1k3g n GLN 29 Cb 0.25 -1.55 0.01 0.00 0.11 0.00 0.00 30.24 29.06 1k3g n GLN 29 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1k3g n GLN 30 N -1.33 0.22 0.14 -1.09 -0.06 0.16 -4.86 117.38 110.55 1k3g n GLN 30 Ca 0.00 -1.06 0.00 0.00 -2.00 0.00 0.00 57.00 53.94 1k3g n GLN 30 Cb 0.05 -0.61 0.00 0.00 -4.06 0.00 0.00 30.24 25.62 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1k3g n LYS 31 N -0.16 0.00 -0.02 3.69 4.76 0.15 -4.86 118.16 121.72 1k3g n LYS 31 Ca 0.02 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 1k3g n LYS 31 Cb 0.64 -0.03 -0.13 0.00 -1.84 0.00 0.00 35.03 33.67 1k3g n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k3g h ILE 33 N -0.70 0.65 -1.37 0.00 -0.00 -1.53 0.16 117.51 114.71 1k3g h ILE 33 Ca -0.06 -0.01 0.40 0.00 -0.00 0.00 0.00 64.86 65.19 1k3g h ILE 33 Cb 1.24 0.63 -0.06 0.00 -0.00 0.00 0.00 36.82 38.62 1k3g h ILE 33 CO 0.06 0.00 0.97 0.28 -0.00 0.00 0.00 178.15 179.47 1k3g h SER 34 N 0.02 0.05 0.00 2.16 0.02 -1.80 0.28 113.55 114.27 1k3g h SER 34 Ca 0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1k3g h SER 34 Cb 1.35 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1k3g h SER 34 CO -0.01 -0.00 -0.90 0.00 -1.14 0.00 0.00 176.83 174.77 1k3g n HIS 36 N -2.65 0.02 0.00 0.00 8.25 0.39 -0.30 115.22 120.93 1k3g n HIS 36 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1k3g n HIS 36 Cb 0.45 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.21 -0.82 0.43 -1.41 0.00 0.97 -0.85 105.19 103.30 1k3g n GLY 37 Ca 0.03 -1.45 0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 1.54 1.01 -0.02 0.00 -1.94 0.15 103.07 103.80 1k3g h GLY 38 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1k3g h GLY 38 CO 0.00 -0.48 -0.62 1.22 0.00 0.00 0.00 176.54 176.66 1k3g n ASP 39 N -4.82 0.58 -0.11 0.19 9.92 -1.26 -4.94 116.55 116.11 1k3g n ASP 39 Ca 0.37 -0.11 -0.01 0.00 -0.53 0.00 0.00 54.79 54.51 1k3g n ASP 39 Cb 1.38 0.29 -0.01 0.00 -0.64 0.00 0.00 41.12 42.14 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 -1.78 0.26 -0.35 0.64 4.77 0.52 -4.83 117.00 116.22 1k3g n LEU 40 Ca 0.04 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1k3g n LEU 40 Cb 0.39 -1.40 0.64 0.00 -2.33 0.00 0.00 43.42 40.71 1k3g n LEU 40 CO 0.36 -0.45 0.93 0.35 -1.33 0.00 0.00 177.39 177.26 1k3g n THR 41 N -2.59 0.00 -0.12 -5.08 -2.24 -1.15 -1.54 114.28 101.56 1k3g n THR 41 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1k3g n THR 41 Cb 0.23 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.12 -1.51 0.32 3.38 0.00 -0.03 -4.31 105.19 104.17 1k3g n GLY 42 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.96 2.21 1.00 4.61 0.00 -1.15 -4.81 120.51 123.32 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 0.33 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.31 2.16 -3.76 0.00 7.64 0.59 -4.96 113.62 113.97 1k3g n SER 44 Ca 0.00 -1.79 -0.09 0.00 1.01 0.00 0.00 58.87 58.00 1k3g n SER 44 Cb 0.00 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.73 -1.10 0.58 -0.43 0.00 -1.19 -4.94 121.76 112.95 1k3g s ALA 45 Ca 0.34 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1k3g s ALA 45 Cb 0.19 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1k3g s ALA 45 CO 0.28 -0.90 1.06 -1.25 0.00 0.00 0.00 175.76 174.95 1k3g s PRO 46 N -3.89 3.35 -0.00 0.00 0.04 -1.26 -4.25 135.00 128.99 1k3g s PRO 46 Ca 0.10 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1k3g s PRO 46 Cb -0.03 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1k3g s PRO 46 CO 0.01 -0.79 1.34 0.00 0.04 0.00 0.00 177.00 177.59 1k3g s ALA 47 N -2.36 3.55 -2.21 8.56 0.00 -1.26 -4.48 121.76 123.56 1k3g s ALA 47 Ca 0.65 0.82 0.19 0.00 0.00 0.00 0.00 51.96 53.62 1k3g s ALA 47 Cb -0.17 -3.56 0.21 0.00 0.00 0.00 0.00 23.12 19.60 1k3g s ALA 47 CO 0.35 -0.83 1.15 0.44 0.00 0.00 0.00 175.76 176.86 1k3g n ILE 48 N 4.57 0.16 -0.29 0.00 -5.35 -0.80 -4.57 119.36 113.09 1k3g n ILE 48 Ca 0.12 -0.58 0.16 0.00 -0.27 0.00 0.00 62.75 62.18 1k3g n ILE 48 Cb 0.44 1.24 0.31 0.00 -1.74 0.00 0.00 39.64 39.90 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 1.08 0.00 -1.34 7.28 2.03 -0.59 -0.24 116.55 124.76 1k3g n ASP 49 Ca 0.12 1.42 -0.09 0.00 0.52 0.00 0.00 54.79 56.76 1k3g n ASP 49 Cb 0.48 -0.56 0.17 0.00 -0.72 0.00 0.00 41.12 40.49 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 -5.13 2.10 -0.16 -0.67 2.85 -1.26 -3.89 118.16 111.99 1k3g n LYS 50 Ca 0.23 -3.33 -0.08 0.00 -1.05 0.00 0.00 58.31 54.07 1k3g n LYS 50 Cb 0.76 -1.90 0.01 0.00 -0.65 0.00 0.00 35.03 33.24 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 1.21 0.61 -0.39 0.58 0.00 -0.78 -2.14 119.26 118.35 1k3g h ALA 51 Ca 0.26 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1k3g h ALA 51 Cb 1.57 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1k3g h ALA 51 CO 0.50 0.20 0.37 0.78 0.00 0.00 0.00 179.25 181.11 1k3g h GLY 52 N 0.61 0.00 0.51 0.00 0.00 -1.50 0.17 103.07 102.87 1k3g h GLY 52 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 1k3g h GLY 52 CO -0.02 0.00 -1.06 0.00 0.00 0.00 0.00 176.54 175.47 1k3g h ALA 53 N 1.61 0.07 0.08 3.60 0.00 -1.65 -3.38 119.26 119.59 1k3g h ALA 53 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 54.91 54.20 1k3g h ALA 53 Cb 0.93 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1k3g h ALA 53 CO -0.00 0.58 -0.11 -0.91 0.00 0.00 0.00 179.25 178.81 1k3g h ASN 54 N -0.45 -0.29 -4.66 0.00 2.35 -0.45 -3.45 115.58 108.63 1k3g h ASN 54 Ca -0.22 0.03 -0.32 0.00 -0.55 0.00 0.00 56.30 55.24 1k3g h ASN 54 Cb 1.61 0.11 -0.21 0.00 0.05 0.00 0.00 38.32 39.88 1k3g h ASN 54 CO 0.07 -0.16 -0.75 -0.31 -1.65 0.00 0.00 177.43 174.62 1k3g s TYR 55 N -6.15 0.86 0.74 1.19 2.02 0.45 -5.11 117.35 111.36 1k3g s TYR 55 Ca -0.14 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 55.96 1k3g s TYR 55 Cb 0.07 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1k3g s TYR 55 CO 0.66 -0.03 1.09 0.45 -1.57 0.00 0.00 175.55 176.15 1k3g s SER 56 N -1.63 5.05 0.28 2.29 0.15 -1.26 -4.12 113.70 114.45 1k3g s SER 56 Ca -0.07 1.23 0.02 0.00 0.70 0.00 0.00 55.95 57.83 1k3g s SER 56 Cb -0.10 -2.01 0.65 0.00 -1.71 0.00 0.00 66.02 62.86 1k3g s SER 56 CO 0.01 -1.61 1.72 1.05 1.20 0.00 0.00 173.24 175.61 1k3g h GLU 57 N -0.84 0.45 -0.69 5.44 9.09 -1.89 0.57 114.58 126.71 1k3g h GLU 57 Ca -0.46 -0.03 0.11 0.00 0.05 0.00 0.00 59.36 59.04 1k3g h GLU 57 Cb 1.26 -0.10 -0.08 0.00 -1.65 0.00 0.00 28.75 28.17 1k3g h GLU 57 CO 0.62 0.30 0.28 0.93 0.05 0.00 0.00 179.01 181.18 1k3g h GLU 58 N 0.46 0.44 -0.01 1.06 5.08 -1.95 0.27 114.58 119.94 1k3g h GLU 58 Ca 0.52 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1k3g h GLU 58 Cb 0.92 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1k3g h GLU 58 CO -0.47 0.29 -0.20 0.93 -1.00 0.00 0.00 179.01 178.56 1k3g h GLU 59 N 0.46 0.15 -0.31 2.33 4.39 -1.34 -2.32 114.58 117.94 1k3g h GLU 59 Ca 0.36 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1k3g h GLU 59 Cb 0.48 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1k3g h GLU 59 CO -0.34 0.87 0.14 0.82 -1.16 0.00 0.00 179.01 179.33 1k3g h ILE 60 N -0.51 1.17 -0.21 3.13 2.04 -0.71 0.64 117.51 123.06 1k3g h ILE 60 Ca -0.02 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1k3g h ILE 60 Cb 0.93 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1k3g h ILE 60 CO 0.04 0.17 -0.16 0.25 0.00 0.00 0.00 178.15 178.46 1k3g h LEU 61 N 0.35 -0.51 -0.24 1.44 5.85 -0.57 0.19 115.31 121.83 1k3g h LEU 61 Ca 0.10 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1k3g h LEU 61 Cb 0.15 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1k3g h LEU 61 CO -0.01 -0.20 -0.15 -0.78 -0.34 0.00 0.00 178.44 176.96 1k3g h ASP 62 N -0.16 -0.51 -0.59 1.25 1.82 -0.93 0.76 116.42 118.07 1k3g h ASP 62 Ca 0.12 0.11 0.06 0.00 -0.39 0.00 0.00 57.03 56.94 1k3g h ASP 62 Cb 0.34 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.56 1k3g h ASP 62 CO -0.30 -0.19 0.29 0.40 -1.61 0.00 0.00 179.24 177.82 1k3g h ILE 63 N -0.14 0.90 -0.41 2.25 2.04 -0.09 0.47 117.51 122.54 1k3g h ILE 63 Ca 0.13 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1k3g h ILE 63 Cb 0.34 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1k3g h ILE 63 CO -0.33 0.10 0.21 0.40 0.00 0.00 0.00 178.15 178.53 1k3g h ILE 64 N 0.53 1.16 0.00 -0.67 2.04 0.15 0.14 117.51 120.86 1k3g h ILE 64 Ca 0.27 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1k3g h ILE 64 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1k3g h ILE 64 CO -0.21 0.17 -0.44 -0.07 0.00 0.00 0.00 178.15 177.60 1k3g h LEU 65 N 0.52 0.00 -2.54 1.44 3.38 0.01 -0.27 115.31 117.86 1k3g h LEU 65 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k3g h LEU 65 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1k3g h LEU 65 CO -0.02 0.44 -0.21 0.59 0.09 0.00 0.00 178.44 179.33 1k3g n ASN 66 N -3.87 1.30 0.00 -0.43 3.02 0.16 -2.17 115.26 113.26 1k3g n ASN 66 Ca -0.01 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 1k3g n ASN 66 Cb 0.49 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.78 0.73 0.00 7.41 0.00 0.48 -4.50 105.19 108.53 1k3g n GLY 67 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 3.63 0.00 0.00 1.61 7.27 -0.45 -4.53 117.38 124.90 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 -0.07 1.13 0.22 1.69 0.00 -1.26 0.48 105.19 107.37 1k3g n GLY 69 Ca 0.00 0.35 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -5.50 -0.02 0.00 -2.01 -3.44 103.07 92.10 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 1.07 -0.29 0.00 0.00 0.00 176.54 177.32 1k3g s MET 71 N -3.70 4.06 -0.00 4.80 0.00 0.18 -4.99 119.30 119.65 1k3g s MET 71 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 55.69 57.31 1k3g s MET 71 Cb 0.11 -3.96 -0.04 0.00 0.00 0.00 0.00 34.83 30.93 1k3g s MET 71 CO 0.65 -0.97 1.16 -1.25 0.00 0.00 0.00 175.02 174.61 1k3g s PRO 72 N 4.15 4.42 0.34 4.11 0.04 -1.26 -1.35 135.00 145.45 1k3g s PRO 72 Ca 0.69 1.67 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 1k3g s PRO 72 Cb -0.28 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.70 1k3g s PRO 72 CO 0.27 -0.31 1.31 0.20 0.04 0.00 0.00 177.00 178.51 1k3g s GLY 73 N 1.23 2.99 -0.03 0.56 0.00 -1.26 -3.65 107.32 107.15 1k3g s GLY 73 Ca 0.56 1.27 -0.00 0.00 0.00 0.00 0.00 44.72 46.55 1k3g s GLY 73 CO 0.26 1.91 0.03 0.61 0.00 0.00 0.00 173.10 175.91 1k3g n GLY 74 N 0.76 0.88 0.08 0.20 0.00 -0.11 -4.69 105.19 102.30 1k3g n GLY 74 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.06 1.03 -3.04 -0.61 2.04 -1.62 -3.40 117.51 111.86 1k3g h ILE 75 Ca -0.01 -0.07 -0.63 0.00 1.00 0.00 0.00 64.86 65.14 1k3g h ILE 75 Cb 1.01 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1k3g h ILE 75 CO 0.01 0.03 -0.55 0.00 0.00 0.00 0.00 178.15 177.65 1k3g s ALA 76 N -6.15 3.78 0.06 1.87 0.00 -1.26 -5.11 121.76 114.95 1k3g s ALA 76 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1k3g s ALA 76 Cb 0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1k3g s ALA 76 CO 0.68 0.78 0.02 0.15 0.00 0.00 0.00 175.76 177.38 1k3g s LYS 77 N -2.35 0.66 1.74 0.00 1.02 -1.26 -4.64 119.74 114.91 1k3g s LYS 77 Ca 0.31 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1k3g s LYS 77 Cb -0.13 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1k3g s LYS 77 CO 0.23 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1k3g n GLY 78 N 0.07 -1.35 0.36 -3.33 0.00 -1.26 -3.90 105.19 95.78 1k3g n GLY 78 Ca -0.14 -1.25 0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.26 1.85 -0.79 4.61 0.00 -2.00 -0.71 119.26 121.95 1k3g h ALA 79 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 79 Cb 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1k3g h ALA 79 CO 0.00 -0.47 -0.57 1.49 0.00 0.00 0.00 179.25 179.70 1k3g h GLU 80 N 0.00 -0.13 -0.39 0.00 4.81 -1.98 0.13 114.58 117.02 1k3g h GLU 80 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1k3g h GLU 80 Cb 0.80 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1k3g h GLU 80 CO -0.00 -0.08 0.22 0.00 -0.73 0.00 0.00 179.01 178.41 1k3g h ALA 81 N 0.30 0.51 0.17 2.92 0.00 -1.30 -0.50 119.26 121.36 1k3g h ALA 81 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k3g h ALA 81 Cb 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1k3g h ALA 81 CO -0.82 0.03 -0.49 0.93 0.00 0.00 0.00 179.25 178.90 1k3g h GLU 82 N 0.51 -0.72 -0.43 0.00 5.08 -1.53 0.54 114.58 118.02 1k3g h GLU 82 Ca 0.14 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1k3g h GLU 82 Cb 0.06 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1k3g h GLU 82 CO -0.02 -0.48 -0.01 0.00 -1.00 0.00 0.00 179.01 177.49 1k3g h ALA 83 N -0.67 0.39 0.36 3.43 0.00 -0.46 0.86 119.26 123.17 1k3g h ALA 83 Ca -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 83 Cb 0.73 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1k3g h ALA 83 CO -0.24 -0.40 -0.51 0.28 0.00 0.00 0.00 179.25 178.39 1k3g h VAL 84 N 0.10 0.02 -0.41 0.00 2.07 -0.84 0.11 116.25 117.29 1k3g h VAL 84 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1k3g h VAL 84 Cb 0.31 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 1k3g h VAL 84 CO -0.37 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.04 1k3g h ALA 85 N -0.73 0.13 -0.28 1.67 0.00 -0.37 0.15 119.26 119.84 1k3g h ALA 85 Ca -0.04 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1k3g h ALA 85 Cb 0.83 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1k3g h ALA 85 CO -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.56 1k3g h ALA 86 N 1.20 0.38 -0.41 0.00 0.00 -0.69 0.34 119.26 120.07 1k3g h ALA 86 Ca 0.20 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1k3g h ALA 86 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1k3g h ALA 86 CO -0.47 0.12 0.09 2.35 0.00 0.00 0.00 179.25 181.34 1k3g h TRP 87 N 0.29 0.16 -0.79 0.00 7.01 -0.53 -0.84 115.95 121.24 1k3g h TRP 87 Ca 0.08 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1k3g h TRP 87 Cb 0.43 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 1k3g h TRP 87 CO 0.04 0.03 0.52 -0.07 -2.79 0.00 0.00 178.44 176.16 1k3g h LEU 88 N 0.23 0.90 -0.95 0.65 3.38 -0.26 -1.23 115.31 118.03 1k3g h LEU 88 Ca 0.20 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1k3g h LEU 88 Cb 0.23 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1k3g h LEU 88 CO -0.25 0.66 0.56 0.00 0.09 0.00 0.00 178.44 179.50 1k3g h ALA 89 N 1.51 1.47 -0.43 1.53 0.00 0.11 0.21 119.26 123.65 1k3g h ALA 89 Ca 0.29 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1k3g h ALA 89 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1k3g h ALA 89 CO -0.06 0.05 -0.19 0.93 0.00 0.00 0.00 179.25 179.98 1k3g h GLU 90 N 0.81 0.84 -6.54 0.00 4.39 -0.82 -3.42 114.58 109.83 1k3g h GLU 90 Ca 0.51 -0.33 -0.56 0.00 0.34 0.00 0.00 59.36 59.32 1k3g h GLU 90 Cb 0.65 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 1k3g h GLU 90 CO -0.33 0.96 1.05 0.15 -1.16 0.00 0.00 179.01 179.68 1k3g s LYS 91 N -4.68 3.54 0.00 2.33 1.02 0.71 -5.01 119.74 117.65 1k3g s LYS 91 Ca -0.10 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1k3g s LYS 91 Cb 0.13 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 1k3g s LYS 91 CO 0.84 -1.62 0.34 1.63 -0.92 0.00 0.00 175.35 175.62