#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 5.63 0.22 4.52 1.11 -1.26 -4.97 116.67 121.91 1k3g s ASP 23 Ca 0.00 -1.93 -0.19 0.00 0.18 0.00 0.00 52.55 50.61 1k3g s ASP 23 Cb 0.00 -1.98 0.21 0.00 1.07 0.00 0.00 42.92 42.22 1k3g s ASP 23 CO 0.00 -0.67 1.56 0.00 1.18 0.00 0.00 175.17 177.24 1k3g h ALA 24 N 8.38 0.10 -0.35 5.23 0.00 -1.92 0.11 119.26 130.82 1k3g h ALA 24 Ca -0.20 0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 24 Cb 1.07 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1k3g h ALA 24 CO 0.83 -0.64 0.17 0.93 0.00 0.00 0.00 179.25 180.54 1k3g h GLU 25 N -0.04 0.34 -0.42 0.00 5.08 -1.93 -1.07 114.58 116.54 1k3g h GLU 25 Ca 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1k3g h GLU 25 Cb 0.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1k3g h GLU 25 CO -0.92 0.22 0.27 0.00 -1.00 0.00 0.00 179.01 177.59 1k3g h ALA 26 N 1.18 0.53 0.19 3.43 0.00 -1.31 0.15 119.26 123.43 1k3g h ALA 26 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 26 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1k3g h ALA 26 CO -0.11 -0.01 -0.24 0.28 0.00 0.00 0.00 179.25 179.18 1k3g h VAL 27 N 0.56 0.48 -0.33 0.00 2.07 -0.56 -1.38 116.25 117.08 1k3g h VAL 27 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 27 Cb -0.05 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1k3g h VAL 27 CO -0.03 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.08 1k3g h VAL 28 N -0.48 0.69 0.00 2.57 2.07 -0.85 0.12 116.25 120.38 1k3g h VAL 28 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1k3g h VAL 28 Cb 0.47 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1k3g h VAL 28 CO -0.09 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.70 1k3g n GLN 29 N -5.24 0.11 -2.66 1.57 1.13 0.51 -1.42 117.38 111.37 1k3g n GLN 29 Ca 0.01 0.59 -0.08 0.00 -1.94 0.00 0.00 57.00 55.59 1k3g n GLN 29 Cb 0.18 -2.05 0.04 0.00 0.11 0.00 0.00 30.24 28.52 1k3g n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1k3g n GLN 30 N -2.13 1.86 0.20 -1.09 6.02 0.27 -4.86 117.38 117.67 1k3g n GLN 30 Ca -0.01 -3.57 0.00 0.00 -0.01 0.00 0.00 57.00 53.41 1k3g n GLN 30 Cb 0.22 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k3g n LYS 31 N -0.42 0.00 -0.03 -1.09 5.02 -0.27 -4.96 118.16 116.41 1k3g n LYS 31 Ca 0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1k3g n LYS 31 Cb 0.81 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.71 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 -0.56 0.54 -1.28 0.00 -0.00 -1.59 0.76 117.51 115.38 1k3g h ILE 33 Ca -0.02 -0.07 0.39 0.00 -0.00 0.00 0.00 64.86 65.17 1k3g h ILE 33 Cb 0.95 0.33 -0.11 0.00 -0.00 0.00 0.00 36.82 37.99 1k3g h ILE 33 CO 0.04 0.03 0.84 0.28 -0.00 0.00 0.00 178.15 179.34 1k3g h SER 34 N 0.19 0.26 0.00 2.16 0.02 -1.81 0.27 113.55 114.64 1k3g h SER 34 Ca 0.51 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.56 1k3g h SER 34 Cb 1.67 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.29 1k3g h SER 34 CO -0.12 -0.10 -1.05 0.00 -1.14 0.00 0.00 176.83 174.43 1k3g n HIS 36 N -2.62 0.00 0.00 0.00 8.25 0.13 -0.26 115.22 120.72 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 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.05 -1.43 0.55 -1.41 0.00 0.94 -0.93 105.19 102.96 1k3g n GLY 37 Ca 0.04 -1.40 0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 0.70 0.50 -0.02 0.00 -1.94 0.60 103.07 102.91 1k3g h GLY 38 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1k3g h GLY 38 CO 0.00 -0.20 -0.75 1.22 0.00 0.00 0.00 176.54 176.81 1k3g n ASP 39 N -4.38 0.75 -0.13 0.19 9.92 -1.26 -4.95 116.55 116.68 1k3g n ASP 39 Ca 0.37 -0.62 -0.02 0.00 -0.53 0.00 0.00 54.79 53.99 1k3g n ASP 39 Cb 1.53 0.62 -0.01 0.00 -0.64 0.00 0.00 41.12 42.63 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 -1.50 0.26 -0.20 0.64 4.77 0.20 -4.84 117.00 116.33 1k3g n LEU 40 Ca 0.05 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.21 1k3g n LEU 40 Cb 0.33 -1.47 0.65 0.00 -2.33 0.00 0.00 43.42 40.60 1k3g n LEU 40 CO 0.39 -0.48 0.91 0.35 -1.33 0.00 0.00 177.39 177.24 1k3g n THR 41 N -2.56 0.00 0.00 -5.08 -2.24 -1.17 -1.51 114.28 101.71 1k3g n THR 41 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1k3g n THR 41 Cb 0.25 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.19 -0.38 0.00 3.38 0.00 -0.11 -4.22 105.19 105.05 1k3g n GLY 42 Ca 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.36 0.73 1.11 4.61 0.00 -1.18 -4.66 120.51 121.49 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 0.35 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.97 1.95 -3.76 0.00 7.64 0.63 -4.94 113.62 114.18 1k3g n SER 44 Ca 0.00 -1.74 -0.10 0.00 1.01 0.00 0.00 58.87 58.04 1k3g n SER 44 Cb 0.00 -0.12 -0.05 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 -1.77 -0.73 0.80 -0.43 0.00 -1.06 -4.92 121.76 113.66 1k3g s ALA 45 Ca 0.33 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1k3g s ALA 45 Cb 0.18 0.81 0.07 0.00 0.00 0.00 0.00 23.12 24.19 1k3g s ALA 45 CO 0.28 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 175.14 1k3g s PRO 46 N -3.88 2.05 -0.06 0.00 0.04 -1.26 -4.26 135.00 127.63 1k3g s PRO 46 Ca 0.09 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1k3g s PRO 46 Cb 0.01 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1k3g s PRO 46 CO -0.04 -1.75 1.27 0.00 0.04 0.00 0.00 177.00 176.52 1k3g s ALA 47 N -2.94 3.55 -2.14 8.56 0.00 -1.26 -4.27 121.76 123.26 1k3g s ALA 47 Ca 0.61 0.66 0.18 0.00 0.00 0.00 0.00 51.96 53.42 1k3g s ALA 47 Cb -0.17 -3.56 0.24 0.00 0.00 0.00 0.00 23.12 19.63 1k3g s ALA 47 CO 0.56 -0.90 1.17 0.44 0.00 0.00 0.00 175.76 177.04 1k3g n ILE 48 N 4.80 0.24 -0.37 0.00 -5.35 -0.70 -4.65 119.36 113.35 1k3g n ILE 48 Ca 0.12 -0.62 0.01 0.00 -0.27 0.00 0.00 62.75 61.99 1k3g n ILE 48 Cb 0.45 1.17 0.07 0.00 -1.74 0.00 0.00 39.64 39.60 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 3.60 -1.24 -0.62 7.28 3.58 -1.60 0.66 116.42 128.08 1k3g h ASP 49 Ca 0.00 0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.68 1k3g h ASP 49 Cb 0.81 0.70 -0.04 0.00 1.72 0.00 0.00 39.33 42.51 1k3g h ASP 49 CO 0.00 -0.30 0.09 1.17 -2.88 0.00 0.00 179.24 177.32 1k3g n LYS 50 N -5.53 4.42 -0.35 0.28 3.00 -1.26 -4.50 118.16 114.22 1k3g n LYS 50 Ca 0.12 -3.04 0.09 0.00 -0.00 0.00 0.00 58.31 55.48 1k3g n LYS 50 Cb 0.43 -2.23 0.27 0.00 0.00 0.00 0.00 35.03 33.50 1k3g n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k3g h ALA 51 N 3.52 1.59 -0.26 3.14 0.00 -1.01 0.88 119.26 127.12 1k3g h ALA 51 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1k3g h ALA 51 Cb 2.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1k3g h ALA 51 CO 0.57 0.15 0.32 0.78 0.00 0.00 0.00 179.25 181.07 1k3g h GLY 52 N 0.92 0.00 1.48 0.00 0.00 -1.28 0.18 103.07 104.37 1k3g h GLY 52 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.54 1k3g h GLY 52 CO -0.27 0.00 -1.25 0.00 0.00 0.00 0.00 176.54 175.03 1k3g h ALA 53 N 1.61 0.07 -0.03 3.60 0.00 -1.01 -3.37 119.26 120.13 1k3g h ALA 53 Ca 0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1k3g h ALA 53 Cb 0.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1k3g h ALA 53 CO -0.00 0.84 -0.18 -0.91 0.00 0.00 0.00 179.25 179.00 1k3g h ASN 54 N 0.15 0.20 -4.86 0.00 2.35 -0.63 -3.47 115.58 109.32 1k3g h ASN 54 Ca -0.16 -0.69 -0.18 0.00 -0.55 0.00 0.00 56.30 54.73 1k3g h ASN 54 Cb 1.94 -0.06 -0.22 0.00 0.05 0.00 0.00 38.32 40.03 1k3g h ASN 54 CO 0.22 0.86 -0.70 -0.31 -1.65 0.00 0.00 177.43 175.84 1k3g s TYR 55 N -3.48 0.24 0.74 1.19 2.02 0.34 -5.12 117.35 113.28 1k3g s TYR 55 Ca -0.16 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 55.96 1k3g s TYR 55 Cb 0.02 -0.17 0.05 0.00 -0.40 0.00 0.00 41.96 41.46 1k3g s TYR 55 CO 0.73 -0.17 1.10 0.45 -1.57 0.00 0.00 175.55 176.08 1k3g s SER 56 N -1.32 4.89 0.28 2.29 0.15 -1.26 -3.94 113.70 114.78 1k3g s SER 56 Ca -0.14 0.77 0.01 0.00 0.70 0.00 0.00 55.95 57.29 1k3g s SER 56 Cb -0.09 -1.41 0.66 0.00 -1.71 0.00 0.00 66.02 63.47 1k3g s SER 56 CO -0.01 -1.63 1.69 1.05 1.20 0.00 0.00 173.24 175.54 1k3g h GLU 57 N -0.78 0.35 -0.49 5.44 9.09 -1.92 0.67 114.58 126.94 1k3g h GLU 57 Ca -0.45 -0.02 0.09 0.00 0.05 0.00 0.00 59.36 59.02 1k3g h GLU 57 Cb 1.30 -0.08 -0.07 0.00 -1.65 0.00 0.00 28.75 28.25 1k3g h GLU 57 CO 0.64 0.23 0.08 1.49 0.05 0.00 0.00 179.01 181.50 1k3g h GLU 58 N 0.36 0.20 -0.04 1.06 4.81 -1.93 0.21 114.58 119.27 1k3g h GLU 58 Ca 0.52 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.63 1k3g h GLU 58 Cb 0.97 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1k3g h GLU 58 CO -0.53 0.13 -0.39 0.93 -0.73 0.00 0.00 179.01 178.43 1k3g h GLU 59 N 0.21 0.33 -0.60 1.92 4.39 -1.32 -1.73 114.58 117.78 1k3g h GLU 59 Ca 0.25 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1k3g h GLU 59 Cb 0.34 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1k3g h GLU 59 CO -0.34 0.97 0.39 0.82 -1.16 0.00 0.00 179.01 179.69 1k3g h ILE 60 N -0.21 1.13 0.07 3.13 2.04 -0.75 -0.01 117.51 122.90 1k3g h ILE 60 Ca -0.04 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1k3g h ILE 60 Cb 1.08 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1k3g h ILE 60 CO 0.08 0.14 -0.26 0.25 0.00 0.00 0.00 178.15 178.36 1k3g h LEU 61 N 0.78 -0.76 -0.43 1.44 5.85 -0.57 0.29 115.31 121.91 1k3g h LEU 61 Ca 0.23 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1k3g h LEU 61 Cb -0.05 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1k3g h LEU 61 CO -0.07 -0.34 -0.06 -0.78 -0.34 0.00 0.00 178.44 176.85 1k3g h ASP 62 N -0.44 -0.31 0.18 1.25 1.82 -0.63 0.77 116.42 119.07 1k3g h ASP 62 Ca 0.04 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1k3g h ASP 62 Cb 0.49 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 1k3g h ASP 62 CO -0.18 -0.11 -0.31 0.40 -1.61 0.00 0.00 179.24 177.43 1k3g h ILE 63 N 0.04 0.34 -0.69 2.25 2.04 -0.62 0.26 117.51 121.13 1k3g h ILE 63 Ca 0.21 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.22 1k3g h ILE 63 Cb 0.32 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 1k3g h ILE 63 CO -0.41 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.25 1k3g h ILE 64 N -0.57 0.50 -0.21 -0.67 2.04 -0.20 0.13 117.51 118.54 1k3g h ILE 64 Ca 0.02 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1k3g h ILE 64 Cb 0.57 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1k3g h ILE 64 CO -0.14 0.04 -0.20 -0.07 0.00 0.00 0.00 178.15 177.77 1k3g h LEU 65 N 0.20 0.35 -2.74 1.44 3.38 -0.01 -0.36 115.31 117.57 1k3g h LEU 65 Ca 0.38 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1k3g h LEU 65 Cb 0.64 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1k3g h LEU 65 CO -0.52 0.57 -0.44 0.59 0.09 0.00 0.00 178.44 178.73 1k3g n ASN 66 N -4.18 1.34 0.00 -0.43 3.02 0.85 -2.29 115.26 113.57 1k3g n ASN 66 Ca -0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 1k3g n ASN 66 Cb 0.35 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.63 0.30 0.00 7.41 0.00 0.31 -4.77 105.19 107.82 1k3g n GLY 67 Ca 0.11 -0.04 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 2.63 0.00 0.00 1.61 7.27 -1.07 -4.51 117.38 123.31 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 -0.44 0.27 0.22 1.69 0.00 -1.26 0.30 105.19 105.97 1k3g n GLY 69 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.83 -0.02 0.00 -2.02 -3.43 103.07 92.77 1k3g h GLY 70 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1k3g h GLY 70 CO 0.00 0.00 0.90 -0.29 0.00 0.00 0.00 176.54 177.15 1k3g s MET 71 N -4.40 4.24 0.04 4.80 0.00 0.15 -4.96 119.30 119.18 1k3g s MET 71 Ca -0.03 2.17 -0.30 0.00 0.00 0.00 0.00 55.69 57.53 1k3g s MET 71 Cb 0.15 -3.50 -0.18 0.00 0.00 0.00 0.00 34.83 31.30 1k3g s MET 71 CO 0.69 -0.63 1.43 -1.00 0.00 0.00 0.00 175.02 175.51 1k3g h PRO 72 N 7.82 -0.82 0.00 4.11 0.13 -1.84 -2.83 132.00 138.56 1k3g h PRO 72 Ca -0.41 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1k3g h PRO 72 Cb 1.19 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1k3g h PRO 72 CO 0.91 -0.51 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 1k3g n GLY 73 N -1.08 3.28 2.30 1.56 0.00 -1.26 -4.30 105.19 105.69 1k3g n GLY 73 Ca -0.13 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.71 0.83 0.12 -0.02 0.00 -0.15 -4.69 105.19 100.56 1k3g n GLY 74 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 0.83 -2.12 -0.61 2.04 -1.87 -3.40 117.51 112.38 1k3g h ILE 75 Ca -0.25 -0.03 -0.53 0.00 1.00 0.00 0.00 64.86 65.05 1k3g h ILE 75 Cb 0.90 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1k3g h ILE 75 CO 0.34 0.01 -0.57 0.00 0.00 0.00 0.00 178.15 177.93 1k3g s ALA 76 N -6.19 3.42 0.26 1.87 0.00 -1.26 -5.06 121.76 114.80 1k3g s ALA 76 Ca -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.18 1k3g s ALA 76 Cb 0.11 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1k3g s ALA 76 CO 0.69 0.20 0.36 -1.59 0.00 0.00 0.00 175.76 175.42 1k3g s LYS 77 N -3.79 1.54 3.25 0.00 -2.85 -1.26 -4.44 119.74 112.20 1k3g s LYS 77 Ca 0.34 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 1k3g s LYS 77 Cb -0.06 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1k3g s LYS 77 CO 0.23 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.48 1k3g n GLY 78 N -0.41 1.43 0.33 0.59 0.00 -1.26 -1.65 105.19 104.22 1k3g n GLY 78 Ca 0.01 -0.52 0.17 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 -0.71 1.69 -0.71 4.61 0.00 -2.00 0.26 119.26 122.40 1k3g h ALA 79 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1k3g h ALA 79 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1k3g h ALA 79 CO 0.00 -0.36 0.31 1.49 0.00 0.00 0.00 179.25 180.69 1k3g h GLU 80 N 0.46 0.48 0.00 0.00 4.81 -1.82 0.11 114.58 118.62 1k3g h GLU 80 Ca 0.63 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.83 1k3g h GLU 80 Cb 1.26 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k3g h GLU 80 CO -0.53 0.32 -0.00 0.00 -0.73 0.00 0.00 179.01 178.07 1k3g h ALA 81 N 1.48 -0.00 -0.17 2.92 0.00 0.33 -3.26 119.26 120.55 1k3g h ALA 81 Ca 0.37 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1k3g h ALA 81 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1k3g h ALA 81 CO -0.34 -0.02 -0.29 0.93 0.00 0.00 0.00 179.25 179.53 1k3g h GLU 82 N -0.96 -0.33 -0.31 0.00 5.08 -0.60 0.11 114.58 117.58 1k3g h GLU 82 Ca -0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1k3g h GLU 82 Cb 0.96 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1k3g h GLU 82 CO 0.00 -0.22 0.14 0.00 -1.00 0.00 0.00 179.01 177.93 1k3g h ALA 83 N 0.55 0.37 0.17 3.43 0.00 -0.97 0.85 119.26 123.68 1k3g h ALA 83 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 83 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1k3g h ALA 83 CO -0.37 -0.24 -0.23 0.28 0.00 0.00 0.00 179.25 178.69 1k3g h VAL 84 N 0.30 0.50 -0.27 0.00 2.07 -1.50 0.53 116.25 117.88 1k3g h VAL 84 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1k3g h VAL 84 Cb 0.06 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1k3g h VAL 84 CO -0.10 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.31 1k3g h ALA 85 N 0.28 0.01 -0.03 1.67 0.00 -0.44 0.19 119.26 120.95 1k3g h ALA 85 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k3g h ALA 85 Cb 0.45 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1k3g h ALA 85 CO -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 179.25 178.53 1k3g h ALA 86 N 1.01 -0.02 -0.47 0.00 0.00 -0.61 0.22 119.26 119.39 1k3g h ALA 86 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 86 Cb 0.38 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1k3g h ALA 86 CO -0.37 -0.53 0.20 2.35 0.00 0.00 0.00 179.25 180.90 1k3g h TRP 87 N -0.07 0.37 -0.71 0.00 7.01 -0.62 0.10 115.95 122.03 1k3g h TRP 87 Ca 0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1k3g h TRP 87 Cb 0.12 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 1k3g h TRP 87 CO -0.14 0.16 0.27 -0.07 -2.79 0.00 0.00 178.44 175.87 1k3g h LEU 88 N 0.41 0.98 -0.67 0.65 -0.00 -0.21 0.95 115.31 117.42 1k3g h LEU 88 Ca 0.21 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1k3g h LEU 88 Cb 0.17 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.55 1k3g h LEU 88 CO -0.18 0.88 0.33 0.00 -0.00 0.00 0.00 178.44 179.46 1k3g h ALA 89 N 1.26 0.86 -0.57 1.53 0.00 0.36 -1.76 119.26 120.93 1k3g h ALA 89 Ca 0.24 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1k3g h ALA 89 Cb 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1k3g h ALA 89 CO -0.02 0.41 0.26 0.93 0.00 0.00 0.00 179.25 180.84 1k3g h GLU 90 N 0.92 0.47 -6.18 0.00 5.08 -0.06 -3.39 114.58 111.43 1k3g h GLU 90 Ca 0.23 -0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 58.04 1k3g h GLU 90 Cb 0.11 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1k3g h GLU 90 CO -0.03 0.31 1.20 0.15 -1.00 0.00 0.00 179.01 179.65 1k3g s LYS 91 N -6.11 2.93 0.00 2.33 1.02 0.26 -5.01 119.74 115.16 1k3g s LYS 91 Ca -0.13 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1k3g s LYS 91 Cb 0.15 -4.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 1k3g s LYS 91 CO 0.74 -2.42 0.00 0.36 -0.92 0.00 0.00 175.35 173.12