#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 6.25 0.21 4.52 1.01 -1.26 -4.90 116.67 122.50 1k3g s ASP 23 Ca 0.00 0.39 -0.16 0.00 0.71 0.00 0.00 52.55 53.48 1k3g s ASP 23 Cb 0.00 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.60 1k3g s ASP 23 CO 0.00 -1.59 1.59 0.00 0.21 0.00 0.00 175.17 175.38 1k3g h ALA 24 N 10.66 0.22 -0.67 5.23 0.00 -1.91 0.85 119.26 133.64 1k3g h ALA 24 Ca -0.26 0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 24 Cb 1.09 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1k3g h ALA 24 CO 1.16 -0.55 0.29 1.05 0.00 0.00 0.00 179.25 181.19 1k3g h GLU 25 N -0.08 0.48 -0.41 0.00 4.11 -1.93 0.42 114.58 117.17 1k3g h GLU 25 Ca 0.30 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.67 1k3g h GLU 25 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1k3g h GLU 25 CO -0.75 0.32 0.13 0.00 0.07 0.00 0.00 179.01 178.78 1k3g h ALA 26 N 1.44 0.53 0.35 1.06 0.00 -1.31 0.14 119.26 121.47 1k3g h ALA 26 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1k3g h ALA 26 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1k3g h ALA 26 CO -0.30 0.17 -0.24 0.28 0.00 0.00 0.00 179.25 179.16 1k3g h VAL 27 N 0.52 0.49 -0.44 0.00 2.07 -0.60 -2.49 116.25 115.80 1k3g h VAL 27 Ca 0.13 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 27 Cb 0.25 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1k3g h VAL 27 CO -0.01 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.14 1k3g h VAL 28 N -0.58 0.64 0.00 2.57 2.07 -0.64 0.18 116.25 120.49 1k3g h VAL 28 Ca -0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1k3g h VAL 28 Cb 0.50 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1k3g h VAL 28 CO 0.02 0.02 0.37 1.56 0.02 0.00 0.00 177.57 179.55 1k3g h GLN 29 N 0.08 0.00 -0.62 1.57 1.08 -0.56 -0.59 115.11 116.07 1k3g h GLN 29 Ca 0.22 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.11 1k3g h GLN 29 Cb 0.32 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 27.43 1k3g h GLN 29 CO -0.38 0.00 -0.92 0.94 -0.95 0.00 0.00 178.83 177.52 1k3g n GLN 30 N -2.81 1.22 0.00 1.46 -0.06 0.44 -4.78 117.38 112.86 1k3g n GLN 30 Ca -0.02 -2.79 0.00 0.00 -2.00 0.00 0.00 57.00 52.19 1k3g n GLN 30 Cb 0.41 -0.87 0.00 0.00 -4.06 0.00 0.00 30.24 25.72 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 -0.33 0.00 -0.13 3.69 5.02 -0.03 -4.94 118.16 121.44 1k3g n LYS 31 Ca 0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 1k3g n LYS 31 Cb 0.83 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.73 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 -0.90 0.58 -0.94 0.00 -0.00 -1.37 0.36 117.51 115.24 1k3g h ILE 33 Ca -0.60 0.00 0.38 0.00 -0.00 0.00 0.00 64.86 64.63 1k3g h ILE 33 Cb 1.57 0.90 -0.15 0.00 -0.00 0.00 0.00 36.82 39.14 1k3g h ILE 33 CO -0.34 0.00 0.53 -1.20 -0.00 0.00 0.00 178.15 177.14 1k3g n SER 34 N -3.96 0.28 0.00 2.16 7.64 -1.26 -0.29 113.62 118.19 1k3g n SER 34 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1k3g n SER 34 Cb 0.24 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.54 0.00 0.00 0.00 8.25 -0.06 -0.21 115.22 120.66 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 0.49 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 0.24 -1.22 0.40 -1.41 0.00 0.60 -0.82 105.19 102.98 1k3g n GLY 37 Ca 0.04 -1.43 0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 1.64 -0.20 -0.02 0.00 -1.95 0.82 103.07 103.35 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 -0.40 -0.30 1.22 0.00 0.00 0.00 176.54 177.06 1k3g n ASP 39 N -4.85 1.38 -0.07 0.19 8.00 -1.26 -4.94 116.55 115.01 1k3g n ASP 39 Ca 0.33 -1.13 -0.01 0.00 0.71 0.00 0.00 54.79 54.69 1k3g n ASP 39 Cb 1.14 0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 42.46 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 -0.38 0.38 -0.22 0.64 4.77 0.28 -4.82 117.00 117.66 1k3g n LEU 40 Ca 0.12 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1k3g n LEU 40 Cb 0.39 -1.49 0.72 0.00 -2.33 0.00 0.00 43.42 40.72 1k3g n LEU 40 CO 0.26 -0.49 0.98 0.35 -1.33 0.00 0.00 177.39 177.15 1k3g n THR 41 N -2.53 0.00 0.00 -5.08 -2.24 -1.16 -1.33 114.28 101.94 1k3g n THR 41 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1k3g n THR 41 Cb 0.25 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.11 -1.31 0.05 3.38 0.00 -0.00 -4.27 105.19 104.14 1k3g n GLY 42 Ca 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 1.66 1.42 4.61 0.00 -1.13 -4.72 120.51 122.53 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 0.47 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.04 1.40 -3.89 0.00 7.64 0.71 -4.94 113.62 113.50 1k3g n SER 44 Ca 0.00 -1.57 -0.08 0.00 1.01 0.00 0.00 58.87 58.23 1k3g n SER 44 Cb 0.00 -0.05 -0.03 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 -1.89 -0.90 0.74 -0.43 0.00 -1.07 -4.93 121.76 113.28 1k3g s ALA 45 Ca 0.35 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1k3g s ALA 45 Cb 0.19 0.92 0.04 0.00 0.00 0.00 0.00 23.12 24.27 1k3g s ALA 45 CO 0.29 -0.96 1.09 -1.25 0.00 0.00 0.00 175.76 174.93 1k3g s PRO 46 N -3.95 2.43 -0.05 0.00 0.04 -1.26 -4.27 135.00 127.95 1k3g s PRO 46 Ca 0.14 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1k3g s PRO 46 Cb -0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1k3g s PRO 46 CO 0.07 -1.51 1.28 0.00 0.04 0.00 0.00 177.00 176.88 1k3g s ALA 47 N -2.76 3.55 -2.67 8.56 0.00 -1.26 -4.32 121.76 122.86 1k3g s ALA 47 Ca 0.62 0.69 0.22 0.00 0.00 0.00 0.00 51.96 53.49 1k3g s ALA 47 Cb -0.18 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1k3g s ALA 47 CO 0.52 -0.88 1.19 0.44 0.00 0.00 0.00 175.76 177.04 1k3g n ILE 48 N 4.75 0.04 -0.39 0.00 -5.35 -0.59 -4.59 119.36 113.22 1k3g n ILE 48 Ca 0.12 -0.52 0.31 0.00 -0.27 0.00 0.00 62.75 62.39 1k3g n ILE 48 Cb 0.45 1.42 0.58 0.00 -1.74 0.00 0.00 39.64 40.34 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 4.22 0.35 -0.35 7.28 3.58 -1.52 0.18 116.42 130.17 1k3g h ASP 49 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1k3g h ASP 49 Cb 0.90 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1k3g h ASP 49 CO 0.00 -0.11 0.00 2.29 -2.88 0.00 0.00 179.24 178.54 1k3g n LYS 50 N -4.76 3.36 -0.20 0.28 2.85 -1.26 -3.62 118.16 114.81 1k3g n LYS 50 Ca 0.33 -2.86 -0.02 0.00 -1.05 0.00 0.00 58.31 54.72 1k3g n LYS 50 Cb 1.20 -1.89 0.09 0.00 -0.65 0.00 0.00 35.03 33.77 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 2.37 0.78 -0.90 0.58 0.00 -0.73 -1.32 119.26 120.03 1k3g h ALA 51 Ca 0.00 0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1k3g h ALA 51 Cb 1.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1k3g h ALA 51 CO 0.26 -0.10 0.63 0.78 0.00 0.00 0.00 179.25 180.82 1k3g h GLY 52 N 0.50 0.30 1.26 0.00 0.00 -1.31 0.26 103.07 104.08 1k3g h GLY 52 Ca 0.28 -0.06 -0.28 0.00 0.00 0.00 0.00 47.33 47.27 1k3g h GLY 52 CO -0.23 -0.01 -1.16 0.00 0.00 0.00 0.00 176.54 175.14 1k3g h ALA 53 N 1.57 0.06 -0.13 3.60 0.00 -1.43 -3.35 119.26 119.59 1k3g h ALA 53 Ca 0.45 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1k3g h ALA 53 Cb 1.56 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1k3g h ALA 53 CO -0.07 0.70 -0.00 -0.97 0.00 0.00 0.00 179.25 178.91 1k3g h ASN 54 N 0.31 0.23 -4.75 0.00 -0.73 -0.37 -3.46 115.58 106.81 1k3g h ASN 54 Ca -0.16 -0.31 -0.17 0.00 1.87 0.00 0.00 56.30 57.52 1k3g h ASN 54 Cb 1.82 -0.06 -0.22 0.00 0.27 0.00 0.00 38.32 40.13 1k3g h ASN 54 CO 0.22 0.49 -0.64 -0.31 -0.37 0.00 0.00 177.43 176.81 1k3g s TYR 55 N -4.97 0.15 0.94 0.67 2.02 0.47 -5.11 117.35 111.52 1k3g s TYR 55 Ca -0.14 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 1k3g s TYR 55 Cb 0.05 -0.12 0.15 0.00 -0.40 0.00 0.00 41.96 41.65 1k3g s TYR 55 CO 0.71 -0.18 1.14 -1.54 -1.57 0.00 0.00 175.55 174.11 1k3g s SER 56 N -1.17 3.27 0.29 2.29 1.04 -1.26 -3.92 113.70 114.24 1k3g s SER 56 Ca -0.13 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.25 1k3g s SER 56 Cb -0.08 -1.44 0.71 0.00 0.10 0.00 0.00 66.02 65.31 1k3g s SER 56 CO -0.00 -2.70 1.72 1.05 0.98 0.00 0.00 173.24 174.29 1k3g h GLU 57 N -1.60 0.48 -0.41 4.02 9.09 -1.89 0.83 114.58 125.11 1k3g h GLU 57 Ca -0.50 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 58.86 1k3g h GLU 57 Cb 1.32 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 1k3g h GLU 57 CO 0.59 0.32 0.19 1.49 0.05 0.00 0.00 179.01 181.64 1k3g h GLU 58 N 0.49 0.59 -0.09 1.06 4.81 -1.93 0.19 114.58 119.70 1k3g h GLU 58 Ca 0.55 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.64 1k3g h GLU 58 Cb 0.99 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1k3g h GLU 58 CO -0.48 0.52 -0.15 0.93 -0.73 0.00 0.00 179.01 179.10 1k3g h GLU 59 N 0.51 0.26 -0.38 1.92 4.39 -1.59 -0.45 114.58 119.24 1k3g h GLU 59 Ca 0.14 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k3g h GLU 59 Cb 0.13 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1k3g h GLU 59 CO -0.02 0.73 0.25 0.82 -1.16 0.00 0.00 179.01 179.64 1k3g h ILE 60 N -0.19 1.10 -0.22 3.13 2.04 -0.79 -0.37 117.51 122.21 1k3g h ILE 60 Ca 0.01 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1k3g h ILE 60 Cb 0.71 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1k3g h ILE 60 CO 0.03 0.09 -0.06 0.25 0.00 0.00 0.00 178.15 178.47 1k3g h LEU 61 N 0.52 -0.22 -0.70 1.44 5.85 -0.55 0.91 115.31 122.57 1k3g h LEU 61 Ca 0.14 0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.05 1k3g h LEU 61 Cb -0.06 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1k3g h LEU 61 CO -0.03 -0.08 0.28 -0.78 -0.34 0.00 0.00 178.44 177.48 1k3g h ASP 62 N -0.01 0.27 0.64 1.25 3.58 -0.30 0.16 116.42 122.02 1k3g h ASP 62 Ca 0.11 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1k3g h ASP 62 Cb 0.17 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1k3g h ASP 62 CO -0.23 0.13 -0.33 0.40 -2.88 0.00 0.00 179.24 176.33 1k3g h ILE 63 N 0.45 0.32 -0.92 2.25 2.04 -0.26 0.84 117.51 122.22 1k3g h ILE 63 Ca 0.37 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.42 1k3g h ILE 63 Cb 0.50 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 36.79 1k3g h ILE 63 CO -0.35 0.00 0.48 0.40 0.00 0.00 0.00 178.15 178.68 1k3g h ILE 64 N -0.90 0.61 -0.13 -0.67 2.04 0.19 0.40 117.51 119.05 1k3g h ILE 64 Ca -0.08 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 1k3g h ILE 64 Cb 0.70 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1k3g h ILE 64 CO 0.13 0.10 -0.53 -0.07 0.00 0.00 0.00 178.15 177.78 1k3g h LEU 65 N 0.57 0.42 -2.84 1.44 3.38 -0.46 -2.31 115.31 115.52 1k3g h LEU 65 Ca 0.55 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1k3g h LEU 65 Cb 0.93 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1k3g h LEU 65 CO -0.44 0.88 -0.12 0.59 0.09 0.00 0.00 178.44 179.44 1k3g n ASN 66 N -3.94 1.93 0.00 -0.43 3.02 0.27 -2.43 115.26 113.68 1k3g n ASN 66 Ca -0.02 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1k3g n ASN 66 Cb 0.58 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.17 0.64 0.00 7.41 0.00 0.12 -4.48 105.19 107.71 1k3g n GLY 67 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 6.49 0.00 0.00 1.61 7.27 -0.53 -4.57 117.38 127.65 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 -0.01 2.22 0.24 1.69 0.00 -1.26 0.11 105.19 108.18 1k3g n GLY 69 Ca 0.00 0.40 0.16 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.35 -0.02 0.00 -2.01 -3.44 103.07 92.25 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 0.91 -0.29 0.00 0.00 0.00 176.54 177.16 1k3g s MET 71 N -3.56 4.15 -0.19 4.80 0.00 0.12 -4.99 119.30 119.64 1k3g s MET 71 Ca 0.02 1.52 -0.29 0.00 0.00 0.00 0.00 55.69 56.94 1k3g s MET 71 Cb 0.09 -3.78 -0.01 0.00 0.00 0.00 0.00 34.83 31.13 1k3g s MET 71 CO 0.51 -0.81 1.25 -1.25 0.00 0.00 0.00 175.02 174.73 1k3g s PRO 72 N 3.64 4.20 0.34 4.11 0.04 -1.26 -1.45 135.00 144.61 1k3g s PRO 72 Ca 0.54 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1k3g s PRO 72 Cb -0.20 -3.77 -0.12 0.00 0.04 0.00 0.00 34.50 30.46 1k3g s PRO 72 CO 0.16 -0.75 1.48 0.41 0.04 0.00 0.00 177.00 178.34 1k3g n GLY 73 N 3.68 1.10 1.48 0.56 0.00 -1.26 -3.51 105.19 107.24 1k3g n GLY 73 Ca 0.14 0.37 -0.03 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 1.15 0.29 0.18 -0.02 0.00 -0.87 -4.70 105.19 101.22 1k3g n GLY 74 Ca 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 0.00 -2.33 -0.61 2.04 -1.63 -3.46 117.51 111.15 1k3g h ILE 75 Ca -0.12 -0.48 -0.51 0.00 1.00 0.00 0.00 64.86 64.75 1k3g h ILE 75 Cb 1.07 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1k3g h ILE 75 CO 0.10 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.75 1k3g s ALA 76 N -3.63 3.73 0.23 1.87 0.00 -1.26 -5.09 121.76 117.60 1k3g s ALA 76 Ca -0.06 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 1k3g s ALA 76 Cb 0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1k3g s ALA 76 CO 0.17 0.33 0.22 0.15 0.00 0.00 0.00 175.76 176.63 1k3g s LYS 77 N -3.67 1.35 2.95 0.00 1.02 -1.26 -4.60 119.74 115.53 1k3g s LYS 77 Ca 0.33 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.72 1k3g s LYS 77 Cb -0.09 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1k3g s LYS 77 CO 0.26 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1k3g n GLY 78 N -0.34 1.03 0.42 -3.33 0.00 -1.26 -1.40 105.19 100.31 1k3g n GLY 78 Ca 0.02 -0.59 0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 2.50 -0.77 4.61 0.00 -2.00 0.16 119.26 123.04 1k3g h ALA 79 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 79 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1k3g h ALA 79 CO 0.00 -0.75 0.39 1.49 0.00 0.00 0.00 179.25 180.38 1k3g h GLU 80 N 0.18 0.60 0.00 0.00 4.81 -1.60 0.98 114.58 119.55 1k3g h GLU 80 Ca 0.41 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 1k3g h GLU 80 Cb 1.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1k3g h GLU 80 CO -0.08 0.40 -0.56 0.00 -0.73 0.00 0.00 179.01 178.03 1k3g h ALA 81 N 1.49 0.12 -0.24 2.92 0.00 0.27 -3.30 119.26 120.51 1k3g h ALA 81 Ca 0.40 -0.79 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1k3g h ALA 81 Cb 0.48 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1k3g h ALA 81 CO -0.31 0.32 -0.12 0.93 0.00 0.00 0.00 179.25 180.07 1k3g h GLU 82 N -1.00 -0.08 -0.44 0.00 5.08 -0.72 0.12 114.58 117.54 1k3g h GLU 82 Ca -0.15 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1k3g h GLU 82 Cb 1.08 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1k3g h GLU 82 CO -0.09 -0.06 0.22 0.00 -1.00 0.00 0.00 179.01 178.08 1k3g h ALA 83 N 1.11 0.55 0.51 3.43 0.00 -1.01 0.18 119.26 124.04 1k3g h ALA 83 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 83 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1k3g h ALA 83 CO -0.30 -0.14 -0.38 0.28 0.00 0.00 0.00 179.25 178.72 1k3g h VAL 84 N 0.44 0.22 -0.45 0.00 2.07 -1.46 0.16 116.25 117.23 1k3g h VAL 84 Ca 0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1k3g h VAL 84 Cb 0.10 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.00 1k3g h VAL 84 CO -0.14 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.18 1k3g h ALA 85 N -0.53 -0.01 -0.43 1.67 0.00 -0.50 0.18 119.26 119.64 1k3g h ALA 85 Ca -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1k3g h ALA 85 Cb 0.74 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1k3g h ALA 85 CO 0.01 -0.64 0.14 0.00 0.00 0.00 0.00 179.25 178.76 1k3g h ALA 86 N 1.00 0.56 -0.14 0.00 0.00 -0.80 0.32 119.26 120.21 1k3g h ALA 86 Ca 0.20 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k3g h ALA 86 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1k3g h ALA 86 CO -0.56 0.21 0.02 2.35 0.00 0.00 0.00 179.25 181.27 1k3g h TRP 87 N 0.55 0.03 0.00 0.00 7.01 -0.24 -1.10 115.95 122.20 1k3g h TRP 87 Ca 0.14 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1k3g h TRP 87 Cb 0.26 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1k3g h TRP 87 CO 0.01 0.00 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.43 1k3g h LEU 88 N 0.07 0.00 -1.36 0.65 3.38 -0.43 -0.27 115.31 117.35 1k3g h LEU 88 Ca 0.06 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1k3g h LEU 88 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1k3g h LEU 88 CO -0.10 0.16 0.48 0.00 0.09 0.00 0.00 178.44 179.08 1k3g h ALA 89 N 1.84 1.69 -0.10 1.53 0.00 0.89 -1.36 119.26 123.74 1k3g h ALA 89 Ca -0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1k3g h ALA 89 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1k3g h ALA 89 CO 0.02 0.20 -0.78 1.49 0.00 0.00 0.00 179.25 180.18 1k3g h GLU 90 N 0.78 0.58 -6.34 0.00 4.81 -0.42 -3.42 114.58 110.57 1k3g h GLU 90 Ca 0.32 -0.49 -0.57 0.00 -0.13 0.00 0.00 59.36 58.49 1k3g h GLU 90 Cb 0.25 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1k3g h GLU 90 CO -0.11 1.12 1.06 0.15 -0.73 0.00 0.00 179.01 180.50 1k3g s LYS 91 N -3.63 3.80 0.00 1.92 1.02 -0.32 -5.00 119.74 117.53 1k3g s LYS 91 Ca -0.08 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1k3g s LYS 91 Cb 0.09 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1k3g s LYS 91 CO 0.87 -1.28 0.38 1.63 -0.92 0.00 0.00 175.35 176.04