#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 6.08 0.21 4.52 1.11 -1.26 -4.87 116.67 122.46 1k3g s ASP 23 Ca 0.00 -0.21 -0.20 0.00 0.18 0.00 0.00 52.55 52.31 1k3g s ASP 23 Cb 0.00 -2.55 0.17 0.00 1.07 0.00 0.00 42.92 41.60 1k3g s ASP 23 CO 0.00 -1.85 1.56 0.00 1.18 0.00 0.00 175.17 176.06 1k3g h ALA 24 N 10.67 -0.00 -0.59 5.23 0.00 -1.92 0.17 119.26 132.82 1k3g h ALA 24 Ca -0.27 0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 24 Cb 1.07 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.81 1k3g h ALA 24 CO 1.25 -0.69 0.12 1.05 0.00 0.00 0.00 179.25 180.98 1k3g h GLU 25 N -0.04 0.24 -0.34 0.00 4.11 -1.93 0.90 114.58 117.53 1k3g h GLU 25 Ca 0.29 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 1k3g h GLU 25 Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1k3g h GLU 25 CO -0.92 0.16 0.12 0.00 0.07 0.00 0.00 179.01 178.44 1k3g h ALA 26 N 1.47 0.44 0.52 1.06 0.00 -1.15 0.13 119.26 121.74 1k3g h ALA 26 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 26 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1k3g h ALA 26 CO -0.40 0.06 -0.40 0.28 0.00 0.00 0.00 179.25 178.79 1k3g h VAL 27 N 0.39 0.20 -0.57 0.00 2.07 -0.64 -2.62 116.25 115.08 1k3g h VAL 27 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1k3g h VAL 27 Cb 0.22 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 1k3g h VAL 27 CO -0.01 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.98 1k3g h VAL 28 N -0.90 0.36 -0.36 2.57 2.07 -0.61 0.23 116.25 119.61 1k3g h VAL 28 Ca -0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1k3g h VAL 28 Cb 0.76 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1k3g h VAL 28 CO 0.01 0.00 0.42 1.56 0.02 0.00 0.00 177.57 179.58 1k3g h GLN 29 N -0.05 0.00 -1.97 1.57 1.08 -0.59 0.28 115.11 115.43 1k3g h GLN 29 Ca 0.27 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.98 1k3g h GLN 29 Cb 0.46 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.49 1k3g h GLN 29 CO -0.61 0.00 -1.14 1.04 -0.95 0.00 0.00 178.83 177.17 1k3g n GLN 30 N -3.64 1.24 0.00 1.46 6.02 0.67 -4.72 117.38 118.42 1k3g n GLN 30 Ca 0.06 -3.54 0.00 0.00 -0.01 0.00 0.00 57.00 53.51 1k3g n GLN 30 Cb 0.58 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 0.20 0.00 -0.12 -1.09 5.02 -0.42 -4.91 118.16 116.84 1k3g n LYS 31 Ca 0.25 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.31 1k3g n LYS 31 Cb 0.64 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.57 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 -0.94 0.53 -1.39 0.00 -0.00 -1.50 -0.47 117.51 113.74 1k3g h ILE 33 Ca -0.49 0.00 0.48 0.00 -0.00 0.00 0.00 64.86 64.85 1k3g h ILE 33 Cb 1.41 0.79 -0.14 0.00 -0.00 0.00 0.00 36.82 38.89 1k3g h ILE 33 CO -0.30 0.00 0.89 -1.28 -0.00 0.00 0.00 178.15 177.47 1k3g h SER 34 N 0.00 0.20 0.00 2.16 0.87 -1.80 0.21 113.55 115.19 1k3g h SER 34 Ca 0.13 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1k3g h SER 34 Cb 0.67 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1k3g h SER 34 CO -0.00 -0.26 -1.09 0.00 -0.53 0.00 0.00 176.83 174.95 1k3g n HIS 36 N -2.55 0.00 0.00 0.00 8.25 -0.33 -0.40 115.22 120.20 1k3g n HIS 36 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1k3g n HIS 36 Cb 0.53 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 0.80 -1.23 0.36 -1.41 0.00 0.74 -0.74 105.19 103.70 1k3g n GLY 37 Ca 0.09 -1.44 0.28 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 1.96 -1.43 -0.02 0.00 -1.96 0.82 103.07 102.44 1k3g h GLY 38 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1k3g h GLY 38 CO 0.00 -0.53 -0.07 1.22 0.00 0.00 0.00 176.54 177.16 1k3g n ASP 39 N -5.02 2.50 -0.59 0.19 9.92 -1.26 -4.94 116.55 117.35 1k3g n ASP 39 Ca 0.34 -1.79 -0.08 0.00 -0.53 0.00 0.00 54.79 52.73 1k3g n ASP 39 Cb 1.11 0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 41.63 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 0.86 -0.29 -0.14 0.64 4.32 0.28 -4.75 117.00 117.92 1k3g n LEU 40 Ca 0.14 0.19 0.15 0.00 -0.02 0.00 0.00 56.01 56.47 1k3g n LEU 40 Cb 0.52 -1.90 0.75 0.00 -1.62 0.00 0.00 43.42 41.18 1k3g n LEU 40 CO 0.17 -0.67 0.99 0.35 -1.22 0.00 0.00 177.39 177.02 1k3g n THR 41 N -2.51 0.00 0.00 -5.08 -2.24 -1.17 -0.96 114.28 102.32 1k3g n THR 41 Ca -0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1k3g n THR 41 Cb 0.38 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.14 -0.88 0.00 3.38 0.00 0.08 -4.24 105.19 104.67 1k3g n GLY 42 Ca 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.06 0.97 1.13 4.61 0.00 -1.19 -4.64 120.51 121.44 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 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.96 1.95 -3.73 0.00 7.64 0.47 -4.94 113.62 114.04 1k3g n SER 44 Ca 0.00 -1.73 -0.10 0.00 1.01 0.00 0.00 58.87 58.05 1k3g n SER 44 Cb 0.00 -0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.79 -0.85 0.89 -0.43 0.00 -1.14 -4.95 121.76 113.49 1k3g s ALA 45 Ca 0.34 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 1k3g s ALA 45 Cb 0.19 0.81 0.13 0.00 0.00 0.00 0.00 23.12 24.25 1k3g s ALA 45 CO 0.28 -0.74 1.09 -1.25 0.00 0.00 0.00 175.76 175.14 1k3g s PRO 46 N -3.86 1.28 -0.09 0.00 0.04 -1.26 -4.26 135.00 126.84 1k3g s PRO 46 Ca 0.08 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 1k3g s PRO 46 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1k3g s PRO 46 CO -0.05 -2.27 1.28 0.00 0.04 0.00 0.00 177.00 176.00 1k3g s ALA 47 N -2.87 3.58 -2.07 8.56 0.00 -1.26 -4.24 121.76 123.47 1k3g s ALA 47 Ca 0.64 0.60 0.17 0.00 0.00 0.00 0.00 51.96 53.37 1k3g s ALA 47 Cb -0.19 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 19.51 1k3g s ALA 47 CO 0.57 -0.99 1.07 0.44 0.00 0.00 0.00 175.76 176.85 1k3g n ILE 48 N 4.99 0.09 -0.33 0.00 -5.35 -0.44 -4.53 119.36 113.79 1k3g n ILE 48 Ca 0.13 -0.54 0.17 0.00 -0.27 0.00 0.00 62.75 62.24 1k3g n ILE 48 Cb 0.45 1.28 0.33 0.00 -1.74 0.00 0.00 39.64 39.97 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 0.97 -0.03 -1.53 7.28 2.03 -0.14 -0.36 116.55 124.77 1k3g n ASP 49 Ca 0.11 1.63 0.08 0.00 0.52 0.00 0.00 54.79 57.13 1k3g n ASP 49 Cb 0.43 -0.63 0.33 0.00 -0.72 0.00 0.00 41.12 40.54 1k3g n ASP 49 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1k3g n LYS 50 N -5.39 3.69 -0.12 -0.67 3.00 -1.26 -4.13 118.16 113.27 1k3g n LYS 50 Ca 0.25 -2.62 -0.05 0.00 -0.00 0.00 0.00 58.31 55.89 1k3g n LYS 50 Cb 0.83 -1.91 0.03 0.00 0.00 0.00 0.00 35.03 33.98 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 3.95 0.48 -0.35 3.14 0.00 -0.88 -0.97 119.26 124.63 1k3g h ALA 51 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1k3g h ALA 51 Cb 1.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1k3g h ALA 51 CO 0.26 -0.25 0.34 0.78 0.00 0.00 0.00 179.25 180.39 1k3g h GLY 52 N 0.31 0.00 0.97 0.00 0.00 -1.42 0.21 103.07 103.15 1k3g h GLY 52 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.24 1k3g h GLY 52 CO -0.19 0.00 -1.22 0.00 0.00 0.00 0.00 176.54 175.13 1k3g h ALA 53 N 1.65 -0.11 0.21 3.60 0.00 -1.38 -3.37 119.26 119.86 1k3g h ALA 53 Ca 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1k3g h ALA 53 Cb 0.85 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1k3g h ALA 53 CO -0.00 0.58 -0.10 -0.91 0.00 0.00 0.00 179.25 178.82 1k3g h ASN 54 N -0.09 -0.24 -4.44 0.00 2.35 -0.42 -3.46 115.58 109.28 1k3g h ASN 54 Ca -0.22 -0.12 -0.24 0.00 -0.55 0.00 0.00 56.30 55.17 1k3g h ASN 54 Cb 1.94 0.06 -0.24 0.00 0.05 0.00 0.00 38.32 40.13 1k3g h ASN 54 CO 0.21 -0.02 -0.72 -0.31 -1.65 0.00 0.00 177.43 174.94 1k3g s TYR 55 N -5.42 0.36 0.83 1.19 2.02 0.55 -5.11 117.35 111.76 1k3g s TYR 55 Ca -0.15 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 1k3g s TYR 55 Cb 0.04 -0.23 0.09 0.00 -0.40 0.00 0.00 41.96 41.46 1k3g s TYR 55 CO 0.62 -0.08 1.19 0.45 -1.57 0.00 0.00 175.55 176.16 1k3g s SER 56 N -0.92 4.35 0.23 2.29 0.15 -1.26 -3.86 113.70 114.68 1k3g s SER 56 Ca -0.07 0.73 -0.07 0.00 0.70 0.00 0.00 55.95 57.23 1k3g s SER 56 Cb -0.06 -1.17 0.38 0.00 -1.71 0.00 0.00 66.02 63.46 1k3g s SER 56 CO -0.00 -2.00 1.69 1.05 1.20 0.00 0.00 173.24 175.17 1k3g h GLU 57 N -1.12 0.23 -0.11 5.44 9.09 -1.91 0.98 114.58 127.18 1k3g h GLU 57 Ca -0.46 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 58.97 1k3g h GLU 57 Cb 1.32 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1k3g h GLU 57 CO 0.63 0.15 0.08 0.93 0.05 0.00 0.00 179.01 180.85 1k3g h GLU 58 N 0.24 0.00 0.03 1.06 5.08 -1.93 0.25 114.58 119.31 1k3g h GLU 58 Ca 0.37 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1k3g h GLU 58 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1k3g h GLU 58 CO -0.49 0.00 -1.05 0.93 -1.00 0.00 0.00 179.01 177.40 1k3g h GLU 59 N 0.00 0.07 -0.56 2.33 5.08 -1.27 -3.04 114.58 117.18 1k3g h GLU 59 Ca 0.05 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1k3g h GLU 59 Cb 0.21 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1k3g h GLU 59 CO -0.00 1.06 0.32 0.82 -1.00 0.00 0.00 179.01 180.21 1k3g h ILE 60 N -0.78 1.18 -0.30 3.13 2.04 -0.71 0.34 117.51 122.40 1k3g h ILE 60 Ca -0.26 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1k3g h ILE 60 Cb 1.38 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1k3g h ILE 60 CO -0.08 0.19 -0.14 0.25 0.00 0.00 0.00 178.15 178.37 1k3g h LEU 61 N 0.76 -0.47 -0.59 1.44 5.85 -0.65 0.22 115.31 121.87 1k3g h LEU 61 Ca 0.20 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1k3g h LEU 61 Cb 0.03 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1k3g h LEU 61 CO -0.03 -0.17 0.35 -0.78 -0.34 0.00 0.00 178.44 177.47 1k3g h ASP 62 N -0.09 0.57 -0.65 1.25 3.58 -1.24 0.18 116.42 120.03 1k3g h ASP 62 Ca 0.16 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1k3g h ASP 62 Cb 0.33 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1k3g h ASP 62 CO -0.36 0.40 0.42 0.40 -2.88 0.00 0.00 179.24 177.21 1k3g h ILE 63 N 0.69 1.17 -0.03 2.25 2.04 0.08 0.17 117.51 123.88 1k3g h ILE 63 Ca 0.24 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1k3g h ILE 63 Cb 0.04 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1k3g h ILE 63 CO -0.11 0.17 -0.01 0.40 0.00 0.00 0.00 178.15 178.61 1k3g h ILE 64 N 0.89 1.29 0.00 -0.67 2.04 0.62 -0.80 117.51 120.88 1k3g h ILE 64 Ca 0.24 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1k3g h ILE 64 Cb -0.08 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1k3g h ILE 64 CO -0.05 0.24 -0.32 -0.07 0.00 0.00 0.00 178.15 177.95 1k3g h LEU 65 N -0.29 0.00 -2.62 1.44 3.38 -0.19 -0.74 115.31 116.30 1k3g h LEU 65 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k3g h LEU 65 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1k3g h LEU 65 CO 0.00 0.32 -0.02 0.59 0.09 0.00 0.00 178.44 179.43 1k3g n ASN 66 N -4.10 1.63 0.00 -0.43 3.02 0.55 -2.52 115.26 113.41 1k3g n ASN 66 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1k3g n ASN 66 Cb 0.37 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.51 1.04 0.00 7.41 0.00 -0.31 -4.32 105.19 108.50 1k3g n GLY 67 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 3.64 0.00 0.00 1.61 7.27 -0.27 -4.59 117.38 125.04 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 -0.26 2.56 0.22 1.69 0.00 -1.26 -0.03 105.19 108.12 1k3g n GLY 69 Ca 0.00 0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 -5.21 -0.02 0.00 -2.01 -3.44 103.07 92.40 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 0.94 -0.29 0.00 0.00 0.00 176.54 177.19 1k3g s MET 71 N -3.57 4.20 -0.18 4.80 0.00 0.96 -4.99 119.30 120.53 1k3g s MET 71 Ca 0.02 1.72 -0.29 0.00 0.00 0.00 0.00 55.69 57.14 1k3g s MET 71 Cb 0.09 -3.81 -0.00 0.00 0.00 0.00 0.00 34.83 31.11 1k3g s MET 71 CO 0.47 -0.75 1.12 -1.25 0.00 0.00 0.00 175.02 174.61 1k3g s PRO 72 N 3.63 4.27 0.28 4.11 0.04 -1.26 -1.11 135.00 144.96 1k3g s PRO 72 Ca 0.58 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1k3g s PRO 72 Cb -0.23 -3.67 -0.12 0.00 0.04 0.00 0.00 34.50 30.52 1k3g s PRO 72 CO 0.17 -0.61 1.51 0.41 0.04 0.00 0.00 177.00 178.52 1k3g n GLY 73 N 3.40 1.11 1.56 0.56 0.00 -1.26 -3.50 105.19 107.06 1k3g n GLY 73 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 2.00 0.81 0.39 -0.02 0.00 -0.28 -4.70 105.19 103.39 1k3g n GLY 74 Ca 0.09 -0.70 -0.17 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 0.00 0.27 -2.09 -0.61 2.04 -1.60 -3.43 117.51 112.10 1k3g h ILE 75 Ca 0.00 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.36 1k3g h ILE 75 Cb 0.94 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1k3g h ILE 75 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.65 1k3g s ALA 76 N -6.02 3.68 0.09 1.87 0.00 -1.26 -5.08 121.76 115.04 1k3g s ALA 76 Ca -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 1k3g s ALA 76 Cb 0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1k3g s ALA 76 CO 0.62 0.18 0.09 0.15 0.00 0.00 0.00 175.76 176.80 1k3g s LYS 77 N -3.90 0.80 3.65 0.00 -0.14 -1.26 -4.58 119.74 114.32 1k3g s LYS 77 Ca 0.35 -1.18 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1k3g s LYS 77 Cb -0.07 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 1k3g s LYS 77 CO 0.26 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1k3g n GLY 78 N -0.02 1.56 0.38 -3.33 0.00 -1.26 -1.52 105.19 101.00 1k3g n GLY 78 Ca -0.12 -0.51 0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.78 2.38 -0.95 4.61 0.00 -1.99 0.27 119.26 122.80 1k3g h ALA 79 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 79 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1k3g h ALA 79 CO 0.00 -0.63 0.61 1.49 0.00 0.00 0.00 179.25 180.72 1k3g h GLU 80 N 0.00 1.00 0.00 0.00 4.81 -1.64 0.16 114.58 118.91 1k3g h GLU 80 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1k3g h GLU 80 Cb 0.99 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1k3g h GLU 80 CO -0.00 0.66 -0.26 0.00 -0.73 0.00 0.00 179.01 178.68 1k3g h ALA 81 N 1.51 0.05 -0.20 2.92 0.00 -0.19 -3.32 119.26 120.03 1k3g h ALA 81 Ca 0.43 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1k3g h ALA 81 Cb 0.29 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1k3g h ALA 81 CO -0.18 0.16 0.07 0.93 0.00 0.00 0.00 179.25 180.23 1k3g h GLU 82 N -1.00 0.16 -0.28 0.00 5.08 -0.76 0.68 114.58 118.47 1k3g h GLU 82 Ca -0.06 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1k3g h GLU 82 Cb 0.84 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1k3g h GLU 82 CO -0.04 0.11 0.10 0.00 -1.00 0.00 0.00 179.01 178.18 1k3g h ALA 83 N 1.12 0.32 0.18 3.43 0.00 -0.90 0.45 119.26 123.86 1k3g h ALA 83 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 83 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1k3g h ALA 83 CO -0.09 -0.31 -0.29 0.28 0.00 0.00 0.00 179.25 178.84 1k3g h VAL 84 N 0.22 0.37 -0.15 0.00 2.07 -1.53 0.13 116.25 117.36 1k3g h VAL 84 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1k3g h VAL 84 Cb 0.09 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1k3g h VAL 84 CO -0.12 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.22 1k3g h ALA 85 N 0.10 -0.21 -0.15 1.67 0.00 -0.56 0.13 119.26 120.24 1k3g h ALA 85 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k3g h ALA 85 Cb 0.55 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1k3g h ALA 85 CO -0.14 -0.70 0.09 0.00 0.00 0.00 0.00 179.25 178.50 1k3g h ALA 86 N 0.66 0.19 -0.33 0.00 0.00 -0.73 0.31 119.26 119.37 1k3g h ALA 86 Ca 0.11 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1k3g h ALA 86 Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1k3g h ALA 86 CO -0.33 -0.34 0.11 2.35 0.00 0.00 0.00 179.25 181.05 1k3g h TRP 87 N 0.19 0.20 -0.09 0.00 7.01 -0.49 -0.10 115.95 122.67 1k3g h TRP 87 Ca 0.06 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1k3g h TRP 87 Cb -0.01 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1k3g h TRP 87 CO -0.08 0.09 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.44 1k3g h LEU 88 N 0.25 0.13 -0.75 0.65 3.38 -0.41 0.10 115.31 118.67 1k3g h LEU 88 Ca 0.15 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1k3g h LEU 88 Cb 0.12 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1k3g h LEU 88 CO -0.15 0.30 0.43 0.00 0.09 0.00 0.00 178.44 179.11 1k3g h ALA 89 N 1.72 1.03 -0.35 1.53 0.00 0.14 -1.29 119.26 122.04 1k3g h ALA 89 Ca 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1k3g h ALA 89 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1k3g h ALA 89 CO 0.02 0.11 -0.26 0.93 0.00 0.00 0.00 179.25 180.06 1k3g h GLU 90 N 0.78 0.71 -6.35 0.00 5.08 -0.32 -3.41 114.58 111.06 1k3g h GLU 90 Ca 0.34 -0.29 -0.57 0.00 -1.00 0.00 0.00 59.36 57.84 1k3g h GLU 90 Cb 0.23 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1k3g h GLU 90 CO -0.20 0.89 1.09 0.15 -1.00 0.00 0.00 179.01 179.94 1k3g s LYS 91 N -4.53 3.73 0.00 2.33 1.02 0.27 -5.01 119.74 117.54 1k3g s LYS 91 Ca -0.09 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.29 1k3g s LYS 91 Cb 0.13 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1k3g s LYS 91 CO 0.83 -1.37 0.04 1.63 -0.92 0.00 0.00 175.35 175.56