#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 6.41 0.11 6.55 1.01 -1.26 -4.91 116.67 124.58 1k3g s ASP 23 Ca 0.00 -1.69 -0.33 0.00 0.71 0.00 0.00 52.55 51.24 1k3g s ASP 23 Cb 0.00 -2.35 -0.12 0.00 1.01 0.00 0.00 42.92 41.46 1k3g s ASP 23 CO 0.00 -1.11 1.57 0.00 0.21 0.00 0.00 175.17 175.84 1k3g h ALA 24 N 9.00 -0.86 -0.74 5.23 0.00 -1.89 -0.30 119.26 129.69 1k3g h ALA 24 Ca -0.09 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1k3g h ALA 24 Cb 1.06 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 1k3g h ALA 24 CO 1.09 -1.05 0.23 1.05 0.00 0.00 0.00 179.25 180.56 1k3g h GLU 25 N -0.70 0.33 -0.24 0.00 4.11 -1.92 0.30 114.58 116.47 1k3g h GLU 25 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1k3g h GLU 25 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1k3g h GLU 25 CO -0.27 0.22 0.16 0.00 0.07 0.00 0.00 179.01 179.18 1k3g h ALA 26 N 1.58 0.30 0.19 1.06 0.00 -1.70 0.22 119.26 120.91 1k3g h ALA 26 Ca 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1k3g h ALA 26 Cb 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1k3g h ALA 26 CO -0.46 -0.23 -0.25 0.28 0.00 0.00 0.00 179.25 178.59 1k3g h VAL 27 N 0.32 0.45 -0.34 0.00 2.07 -0.08 -2.40 116.25 116.26 1k3g h VAL 27 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1k3g h VAL 27 Cb -0.04 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1k3g h VAL 27 CO -0.02 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.22 1k3g h VAL 28 N -0.50 0.84 0.00 2.57 2.07 -0.64 0.77 116.25 121.36 1k3g h VAL 28 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1k3g h VAL 28 Cb 0.49 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1k3g h VAL 28 CO -0.10 0.04 0.25 1.56 0.02 0.00 0.00 177.57 179.34 1k3g h GLN 29 N 0.20 0.00 -0.67 1.57 1.08 -0.39 -0.57 115.11 116.33 1k3g h GLN 29 Ca 0.16 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.06 1k3g h GLN 29 Cb 0.18 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 27.27 1k3g h GLN 29 CO -0.21 0.00 -0.97 0.94 -0.95 0.00 0.00 178.83 177.64 1k3g n GLN 30 N -2.25 1.24 0.00 1.46 7.27 0.09 -4.83 117.38 120.36 1k3g n GLN 30 Ca -0.01 -2.90 0.00 0.00 0.07 0.00 0.00 57.00 54.16 1k3g n GLN 30 Cb 0.28 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 31.96 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 -0.31 0.00 -0.09 3.69 5.02 -0.20 -4.94 118.16 121.33 1k3g n LYS 31 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 1k3g n LYS 31 Cb 0.83 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.72 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 0.58 -1.41 0.00 -0.00 -1.53 0.12 117.51 114.28 1k3g h ILE 33 Ca -0.18 0.00 0.46 0.00 -0.00 0.00 0.00 64.86 65.14 1k3g h ILE 33 Cb 1.15 0.67 -0.12 0.00 -0.00 0.00 0.00 36.82 38.52 1k3g h ILE 33 CO -0.11 0.00 0.93 0.28 -0.00 0.00 0.00 178.15 179.25 1k3g h SER 34 N 0.00 0.20 0.00 2.16 0.02 -1.81 0.30 113.55 114.42 1k3g h SER 34 Ca 0.27 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1k3g h SER 34 Cb 1.16 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1k3g h SER 34 CO -0.00 -0.17 -1.06 0.00 -1.14 0.00 0.00 176.83 174.46 1k3g n HIS 36 N -2.61 0.00 0.00 0.00 8.25 -0.12 -0.29 115.22 120.45 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 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.58 -1.76 0.43 -1.41 0.00 0.11 -1.04 105.19 102.10 1k3g n GLY 37 Ca 0.08 -1.38 0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 1.35 1.14 -0.02 0.00 -1.95 0.17 103.07 103.77 1k3g h GLY 38 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1k3g h GLY 38 CO 0.00 -0.33 -0.46 1.22 0.00 0.00 0.00 176.54 176.97 1k3g n ASP 39 N -4.71 0.47 -0.04 0.19 9.92 -1.26 -4.94 116.55 116.18 1k3g n ASP 39 Ca 0.33 -0.11 -0.01 0.00 -0.53 0.00 0.00 54.79 54.48 1k3g n ASP 39 Cb 1.21 0.15 -0.00 0.00 -0.64 0.00 0.00 41.12 41.84 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 -1.59 0.35 -0.19 0.64 4.77 0.61 -4.85 117.00 116.75 1k3g n LEU 40 Ca 0.05 0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1k3g n LEU 40 Cb 0.35 -1.33 0.77 0.00 -2.33 0.00 0.00 43.42 40.88 1k3g n LEU 40 CO 0.34 -0.41 1.01 0.35 -1.33 0.00 0.00 177.39 177.34 1k3g n THR 41 N -2.60 0.00 0.00 -5.08 -2.24 -1.15 -1.62 114.28 101.59 1k3g n THR 41 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1k3g n THR 41 Cb 0.21 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.13 0.33 3.38 0.00 -0.21 -4.28 105.19 104.36 1k3g n GLY 42 Ca 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.19 1.59 1.44 4.61 0.00 -1.17 -4.72 120.51 122.44 1k3g n ALA 43 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1k3g n ALA 43 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.25 1.44 -3.64 0.00 2.88 0.60 -4.94 113.62 108.71 1k3g n SER 44 Ca 0.00 -1.55 -0.08 0.00 -1.33 0.00 0.00 58.87 55.91 1k3g n SER 44 Cb 0.00 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.92 -1.52 0.81 -1.46 0.00 -1.19 -4.96 121.76 111.51 1k3g s ALA 45 Ca 0.36 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1k3g s ALA 45 Cb 0.20 0.75 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1k3g s ALA 45 CO 0.31 -0.90 1.11 -1.25 0.00 0.00 0.00 175.76 175.03 1k3g s PRO 46 N -3.61 1.92 0.12 0.00 0.04 -1.26 -4.29 135.00 127.91 1k3g s PRO 46 Ca 0.07 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1k3g s PRO 46 Cb -0.03 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1k3g s PRO 46 CO -0.03 -1.92 1.21 0.00 0.04 0.00 0.00 177.00 176.30 1k3g s ALA 47 N -2.77 3.42 -1.58 8.56 0.00 -1.26 -4.33 121.76 123.81 1k3g s ALA 47 Ca 0.64 0.91 0.13 0.00 0.00 0.00 0.00 51.96 53.63 1k3g s ALA 47 Cb -0.19 -3.44 0.13 0.00 0.00 0.00 0.00 23.12 19.63 1k3g s ALA 47 CO 0.55 -0.41 0.96 0.44 0.00 0.00 0.00 175.76 177.30 1k3g n ILE 48 N 3.32 0.12 -0.32 0.00 -5.35 -0.64 -4.63 119.36 111.85 1k3g n ILE 48 Ca 0.07 -0.56 0.12 0.00 -0.27 0.00 0.00 62.75 62.11 1k3g n ILE 48 Cb 0.45 1.18 0.24 0.00 -1.74 0.00 0.00 39.64 39.78 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 0.74 -0.16 -1.88 7.28 5.75 -0.85 -0.54 116.55 126.88 1k3g n ASP 49 Ca 0.08 1.58 -0.21 0.00 -0.01 0.00 0.00 54.79 56.23 1k3g n ASP 49 Cb 0.34 -0.55 0.12 0.00 -1.03 0.00 0.00 41.12 40.00 1k3g n ASP 49 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1k3g n LYS 50 N -5.40 2.55 0.29 0.11 5.02 -1.26 -2.93 118.16 116.53 1k3g n LYS 50 Ca 0.20 -3.41 -0.16 0.00 -2.02 0.00 0.00 58.31 52.92 1k3g n LYS 50 Cb 0.65 -2.12 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 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 1.56 -0.69 -0.04 7.82 0.00 -1.05 -2.91 119.26 123.94 1k3g h ALA 51 Ca 0.44 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1k3g h ALA 51 Cb 1.58 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1k3g h ALA 51 CO 0.95 -0.87 0.16 0.78 0.00 0.00 0.00 179.25 180.27 1k3g h GLY 52 N -0.73 0.00 1.17 0.00 0.00 -1.61 0.17 103.07 102.07 1k3g h GLY 52 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1k3g h GLY 52 CO 0.12 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.74 1k3g h ALA 53 N 1.72 0.99 0.00 3.60 0.00 -1.63 -3.38 119.26 120.55 1k3g h ALA 53 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1k3g h ALA 53 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1k3g h ALA 53 CO -0.00 0.64 -1.64 0.09 0.00 0.00 0.00 179.25 178.34 1k3g n ASN 54 N -4.22 1.55 -4.86 0.00 3.02 -0.29 -5.02 115.26 105.44 1k3g n ASN 54 Ca 0.04 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.49 1k3g n ASN 54 Cb 0.29 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 1k3g n ASN 54 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k3g s TYR 55 N -2.48 3.65 0.69 3.10 2.02 0.45 -5.10 117.35 119.67 1k3g s TYR 55 Ca -0.26 0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 57.19 1k3g s TYR 55 Cb 0.08 -2.18 0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1k3g s TYR 55 CO 0.35 0.60 1.03 0.45 -1.57 0.00 0.00 175.55 176.41 1k3g s SER 56 N -1.39 5.16 0.23 2.29 0.15 -1.26 -3.91 113.70 114.97 1k3g s SER 56 Ca 0.27 0.75 -0.08 0.00 0.70 0.00 0.00 55.95 57.59 1k3g s SER 56 Cb -0.15 -1.52 0.38 0.00 -1.71 0.00 0.00 66.02 63.03 1k3g s SER 56 CO 0.14 -1.42 1.66 1.05 1.20 0.00 0.00 173.24 175.87 1k3g h GLU 57 N -0.56 0.14 -0.77 5.44 9.09 -1.93 0.11 114.58 126.11 1k3g h GLU 57 Ca -0.45 -0.01 0.14 0.00 0.05 0.00 0.00 59.36 59.09 1k3g h GLU 57 Cb 1.28 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 28.30 1k3g h GLU 57 CO 0.62 0.09 0.51 0.93 0.05 0.00 0.00 179.01 181.21 1k3g h GLU 58 N 0.15 0.48 0.06 1.06 3.07 -1.93 0.20 114.58 117.67 1k3g h GLU 58 Ca 0.37 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 59.03 1k3g h GLU 58 Cb 0.63 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1k3g h GLU 58 CO -0.57 0.32 -0.90 0.93 -1.40 0.00 0.00 179.01 177.39 1k3g h GLU 59 N 0.50 0.13 -0.74 2.33 5.08 -1.24 -2.76 114.58 117.87 1k3g h GLU 59 Ca 0.37 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1k3g h GLU 59 Cb 0.74 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1k3g h GLU 59 CO -0.13 1.10 0.41 0.82 -1.00 0.00 0.00 179.01 180.21 1k3g h ILE 60 N -0.67 1.22 -0.29 3.13 2.04 -0.76 -1.08 117.51 121.10 1k3g h ILE 60 Ca -0.21 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1k3g h ILE 60 Cb 1.43 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1k3g h ILE 60 CO -0.01 0.24 -0.03 0.25 0.00 0.00 0.00 178.15 178.61 1k3g h LEU 61 N 1.02 -0.17 -0.27 1.44 5.85 -0.72 0.12 115.31 122.58 1k3g h LEU 61 Ca 0.26 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1k3g h LEU 61 Cb 0.02 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1k3g h LEU 61 CO -0.04 -0.05 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.04 1k3g h ASP 62 N 0.05 -0.62 -0.05 1.25 1.82 -1.05 0.14 116.42 117.97 1k3g h ASP 62 Ca 0.14 0.13 0.02 0.00 -0.39 0.00 0.00 57.03 56.93 1k3g h ASP 62 Cb 0.20 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1k3g h ASP 62 CO -0.26 -0.23 -0.06 0.40 -1.61 0.00 0.00 179.24 177.48 1k3g h ILE 63 N -0.17 0.83 -0.70 2.25 2.04 -0.51 0.28 117.51 121.52 1k3g h ILE 63 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 1k3g h ILE 63 Cb 0.39 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1k3g h ILE 63 CO -0.37 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.50 1k3g h ILE 64 N -0.08 0.81 -0.10 -0.67 2.04 -0.17 0.31 117.51 119.65 1k3g h ILE 64 Ca 0.04 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1k3g h ILE 64 Cb 0.14 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1k3g h ILE 64 CO -0.10 0.10 -0.51 -0.07 0.00 0.00 0.00 178.15 177.57 1k3g h LEU 65 N 0.54 0.28 -2.74 1.44 3.38 -0.01 -2.54 115.31 115.66 1k3g h LEU 65 Ca 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1k3g h LEU 65 Cb 0.41 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1k3g h LEU 65 CO -0.29 0.74 -0.10 0.59 0.09 0.00 0.00 178.44 179.46 1k3g n ASN 66 N -3.95 1.77 0.00 -0.43 3.02 0.92 -2.20 115.26 114.39 1k3g n ASN 66 Ca -0.02 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 1k3g n ASN 66 Cb 0.55 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.02 0.85 0.00 7.41 0.00 0.10 -4.46 105.19 108.07 1k3g n GLY 67 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 7.57 0.00 0.00 1.61 7.27 0.03 -4.58 117.38 129.28 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 0.00 2.15 0.22 1.69 0.00 -1.26 0.09 105.19 108.09 1k3g n GLY 69 Ca 0.00 0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.54 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 -5.62 -0.02 0.00 -2.01 -3.42 103.07 92.01 1k3g h GLY 70 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1k3g h GLY 70 CO 0.00 0.00 0.74 -0.29 0.00 0.00 0.00 176.54 176.99 1k3g s MET 71 N -3.64 4.11 -0.14 4.80 0.00 0.11 -5.02 119.30 119.52 1k3g s MET 71 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 55.69 56.46 1k3g s MET 71 Cb 0.09 -3.70 -0.01 0.00 0.00 0.00 0.00 34.83 31.21 1k3g s MET 71 CO 0.40 -0.77 1.12 -1.25 0.00 0.00 0.00 175.02 174.52 1k3g s PRO 72 N 3.37 4.32 0.24 4.11 0.04 -1.26 -0.79 135.00 145.02 1k3g s PRO 72 Ca 0.42 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 1k3g s PRO 72 Cb -0.13 -3.62 -0.13 0.00 0.04 0.00 0.00 34.50 30.66 1k3g s PRO 72 CO 0.12 -0.52 1.58 0.41 0.04 0.00 0.00 177.00 178.63 1k3g n GLY 73 N 3.33 1.22 1.55 0.56 0.00 -1.26 -3.35 105.19 107.24 1k3g n GLY 73 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 2.81 0.75 0.40 -0.02 0.00 -0.94 -4.70 105.19 103.49 1k3g n GLY 74 Ca 0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 0.19 -2.99 -0.61 2.04 -1.64 -3.40 117.51 111.10 1k3g h ILE 75 Ca 0.00 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.23 1k3g h ILE 75 Cb 0.87 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1k3g h ILE 75 CO 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.62 1k3g s ALA 76 N -5.94 3.87 0.14 1.87 0.00 -1.26 -5.10 121.76 115.33 1k3g s ALA 76 Ca -0.16 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1k3g s ALA 76 Cb 0.07 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1k3g s ALA 76 CO 0.63 0.80 0.12 0.15 0.00 0.00 0.00 175.76 177.47 1k3g s LYS 77 N -2.48 0.99 1.13 0.00 1.02 -1.26 -4.67 119.74 114.46 1k3g s LYS 77 Ca 0.33 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1k3g s LYS 77 Cb -0.13 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1k3g s LYS 77 CO 0.26 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1k3g n GLY 78 N -0.13 -1.93 0.43 -3.33 0.00 -1.26 -4.13 105.19 94.85 1k3g n GLY 78 Ca -0.06 -1.36 0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.16 2.70 -0.68 4.61 0.00 -2.00 -1.10 119.26 122.64 1k3g h ALA 79 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1k3g h ALA 79 Cb 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1k3g h ALA 79 CO 0.00 -0.93 -0.40 0.39 0.00 0.00 0.00 179.25 178.31 1k3g n GLU 80 N -4.31 -0.30 -0.03 0.00 4.71 -1.26 -0.34 120.64 119.11 1k3g n GLU 80 Ca 0.15 1.32 -0.09 0.00 -0.01 0.00 0.00 57.16 58.53 1k3g n GLU 80 Cb 0.83 -1.96 -0.03 0.00 -1.01 0.00 0.00 31.44 29.27 1k3g n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k3g h ALA 81 N 0.05 0.19 -0.11 0.62 0.00 -1.37 0.13 119.26 118.78 1k3g h ALA 81 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 81 Cb 0.28 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1k3g h ALA 81 CO -0.64 -0.38 -0.44 0.93 0.00 0.00 0.00 179.25 178.72 1k3g h GLU 82 N 0.14 -0.51 -0.56 0.00 5.08 -1.53 0.21 114.58 117.41 1k3g h GLU 82 Ca 0.08 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1k3g h GLU 82 Cb 0.05 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1k3g h GLU 82 CO -0.09 -0.34 0.29 0.00 -1.00 0.00 0.00 179.01 177.88 1k3g h ALA 83 N 0.02 0.73 -0.02 3.43 0.00 -0.34 -0.34 119.26 122.73 1k3g h ALA 83 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 83 Cb 0.64 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1k3g h ALA 83 CO -0.39 0.26 -0.25 0.28 0.00 0.00 0.00 179.25 179.15 1k3g h VAL 84 N 0.76 0.42 -0.13 0.00 2.07 -0.42 0.19 116.25 119.14 1k3g h VAL 84 Ca 0.20 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1k3g h VAL 84 Cb 0.08 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1k3g h VAL 84 CO -0.03 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.32 1k3g h ALA 85 N 0.47 -0.22 -0.37 1.67 0.00 -0.64 0.16 119.26 120.32 1k3g h ALA 85 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 85 Cb 0.47 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1k3g h ALA 85 CO -0.24 -0.71 0.17 0.00 0.00 0.00 0.00 179.25 178.47 1k3g h ALA 86 N 0.64 0.45 -0.76 0.00 0.00 -0.69 0.22 119.26 119.12 1k3g h ALA 86 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 86 Cb 0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1k3g h ALA 86 CO -0.31 -0.21 0.50 2.35 0.00 0.00 0.00 179.25 181.58 1k3g h TRP 87 N 0.35 0.95 -0.66 0.00 7.01 -0.37 -1.74 115.95 121.49 1k3g h TRP 87 Ca 0.16 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 1k3g h TRP 87 Cb 0.10 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 1k3g h TRP 87 CO -0.12 0.59 0.17 -0.07 -2.79 0.00 0.00 178.44 176.22 1k3g h LEU 88 N 1.02 0.98 -0.65 0.65 -0.00 -0.02 -2.21 115.31 115.08 1k3g h LEU 88 Ca 0.28 -0.20 0.11 0.00 -0.00 0.00 0.00 57.88 58.08 1k3g h LEU 88 Cb -0.11 -0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 40.22 1k3g h LEU 88 CO -0.07 0.94 0.23 0.00 -0.00 0.00 0.00 178.44 179.54 1k3g h ALA 89 N 1.18 0.85 -0.51 1.53 0.00 0.25 0.24 119.26 122.80 1k3g h ALA 89 Ca 0.21 0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 1k3g h ALA 89 Cb 0.34 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 1k3g h ALA 89 CO -0.00 -0.21 0.42 -1.91 0.00 0.00 0.00 179.25 177.54 1k3g n GLU 90 N -5.02 1.80 -4.82 0.00 2.13 -0.76 -4.52 120.64 109.44 1k3g n GLU 90 Ca 0.10 -1.64 -0.26 0.00 0.66 0.00 0.00 57.16 56.02 1k3g n GLU 90 Cb 0.32 -1.64 -0.16 0.00 0.27 0.00 0.00 31.44 30.23 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 -1.88 1.67 0.00 5.31 1.02 0.06 -4.99 119.74 120.93 1k3g s LYS 91 Ca 0.32 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1k3g s LYS 91 Cb 0.26 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1k3g s LYS 91 CO 0.01 0.27 0.00 1.63 -0.92 0.00 0.00 175.35 176.34