#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 0.17 4.52 1.11 -1.26 -4.92 116.67 122.70 1k3g s ASP 23 Ca 0.00 -0.08 -0.22 0.00 0.18 0.00 0.00 52.55 52.43 1k3g s ASP 23 Cb 0.00 -2.50 0.07 0.00 1.07 0.00 0.00 42.92 41.57 1k3g s ASP 23 CO 0.00 -1.34 1.60 0.00 1.18 0.00 0.00 175.17 176.61 1k3g h ALA 24 N 9.41 -0.13 -0.57 5.23 0.00 -1.93 0.70 119.26 131.97 1k3g h ALA 24 Ca -0.25 0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1k3g h ALA 24 Cb 1.06 0.70 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 1k3g h ALA 24 CO 1.13 -0.70 0.16 1.05 0.00 0.00 0.00 179.25 180.89 1k3g h GLU 25 N -0.23 0.31 -0.51 0.00 4.11 -1.93 0.16 114.58 116.48 1k3g h GLU 25 Ca 0.19 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 1k3g h GLU 25 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1k3g h GLU 25 CO -0.56 0.20 0.29 0.00 0.07 0.00 0.00 179.01 179.02 1k3g h ALA 26 N 1.42 0.66 0.39 1.06 0.00 -1.50 0.12 119.26 121.41 1k3g h ALA 26 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1k3g h ALA 26 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k3g h ALA 26 CO -0.33 0.16 -0.28 0.28 0.00 0.00 0.00 179.25 179.08 1k3g h VAL 27 N 0.68 0.41 -0.57 0.00 2.07 -0.37 -2.12 116.25 116.37 1k3g h VAL 27 Ca 0.18 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1k3g h VAL 27 Cb 0.02 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 1k3g h VAL 27 CO -0.03 0.00 0.04 0.58 0.02 0.00 0.00 177.57 178.18 1k3g h VAL 28 N -0.66 0.58 -0.19 2.57 2.07 -0.56 0.17 116.25 120.22 1k3g h VAL 28 Ca -0.04 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1k3g h VAL 28 Cb 0.57 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1k3g h VAL 28 CO 0.01 0.03 0.33 1.56 0.02 0.00 0.00 177.57 179.52 1k3g h GLN 29 N 0.16 0.00 -1.67 1.57 1.08 -0.51 -0.56 115.11 115.18 1k3g h GLN 29 Ca 0.29 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 57.05 1k3g h GLN 29 Cb 0.45 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 27.52 1k3g h GLN 29 CO -0.45 0.00 -1.10 1.04 -0.95 0.00 0.00 178.83 177.37 1k3g n GLN 30 N -3.40 0.99 0.00 1.46 6.02 0.48 -4.73 117.38 118.20 1k3g n GLN 30 Ca 0.02 -3.18 0.00 0.00 -0.01 0.00 0.00 57.00 53.83 1k3g n GLN 30 Cb 0.44 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 0.26 0.00 -0.12 -1.09 5.02 -0.53 -4.91 118.16 116.78 1k3g n LYS 31 Ca 0.21 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 1k3g n LYS 31 Cb 0.68 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.60 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 -0.91 0.48 -1.42 0.00 -0.00 -1.35 0.07 117.51 114.40 1k3g h ILE 33 Ca -0.62 0.00 0.46 0.00 -0.00 0.00 0.00 64.86 64.70 1k3g h ILE 33 Cb 1.54 0.84 -0.12 0.00 -0.00 0.00 0.00 36.82 39.07 1k3g h ILE 33 CO -0.37 0.00 0.94 0.28 -0.00 0.00 0.00 178.15 179.00 1k3g h SER 34 N 0.00 0.19 0.00 2.16 0.02 -1.82 0.19 113.55 114.30 1k3g h SER 34 Ca 0.09 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1k3g h SER 34 Cb 0.49 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1k3g h SER 34 CO -0.00 -0.16 -0.95 0.00 -1.14 0.00 0.00 176.83 174.58 1k3g n HIS 36 N -2.60 0.00 0.00 0.00 8.25 -0.14 -0.41 115.22 120.31 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 0.47 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.18 -0.69 0.44 -1.41 0.00 0.68 -0.79 105.19 103.61 1k3g n GLY 37 Ca 0.06 -1.48 0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 1.38 -0.78 -0.02 0.00 -1.95 0.65 103.07 102.36 1k3g h GLY 38 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1k3g h GLY 38 CO 0.00 -0.39 -0.39 1.22 0.00 0.00 0.00 176.54 176.99 1k3g n ASP 39 N -4.73 1.87 -0.20 0.19 8.00 -1.26 -4.95 116.55 115.46 1k3g n ASP 39 Ca 0.35 -1.41 -0.03 0.00 0.71 0.00 0.00 54.79 54.41 1k3g n ASP 39 Cb 1.32 0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 42.76 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 -0.06 0.12 -0.44 0.64 4.77 0.22 -4.85 117.00 117.40 1k3g n LEU 40 Ca 0.10 0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1k3g n LEU 40 Cb 0.45 -1.40 0.53 0.00 -2.33 0.00 0.00 43.42 40.66 1k3g n LEU 40 CO 0.27 -0.44 0.87 0.35 -1.33 0.00 0.00 177.39 177.10 1k3g n THR 41 N -2.62 0.05 0.00 -5.08 -2.24 -1.11 -2.09 114.28 101.19 1k3g n THR 41 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1k3g n THR 41 Cb 0.24 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.14 1.69 3.38 0.00 0.03 -4.35 105.19 105.94 1k3g n GLY 42 Ca 0.19 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.26 2.31 0.54 4.61 0.00 -1.12 -4.70 120.51 122.41 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 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.27 3.23 -3.70 0.00 7.64 0.45 -4.99 113.62 113.97 1k3g n SER 44 Ca 0.00 -1.97 -0.09 0.00 1.01 0.00 0.00 58.87 57.82 1k3g n SER 44 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.63 -1.20 0.72 -0.43 0.00 -1.18 -4.94 121.76 113.10 1k3g s ALA 45 Ca 0.36 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 1k3g s ALA 45 Cb 0.22 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.24 1k3g s ALA 45 CO 0.31 -0.88 1.10 -1.25 0.00 0.00 0.00 175.76 175.04 1k3g s PRO 46 N -3.86 2.47 -0.11 0.00 0.04 -1.26 -4.31 135.00 127.96 1k3g s PRO 46 Ca 0.08 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1k3g s PRO 46 Cb -0.03 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1k3g s PRO 46 CO -0.02 -1.49 1.32 0.00 0.04 0.00 0.00 177.00 176.85 1k3g s ALA 47 N -2.64 3.62 -2.67 8.56 0.00 -1.26 -4.40 121.76 122.96 1k3g s ALA 47 Ca 0.64 0.60 0.23 0.00 0.00 0.00 0.00 51.96 53.42 1k3g s ALA 47 Cb -0.19 -3.62 0.26 0.00 0.00 0.00 0.00 23.12 19.58 1k3g s ALA 47 CO 0.50 -1.10 1.28 0.44 0.00 0.00 0.00 175.76 176.87 1k3g n ILE 48 N 5.18 0.19 -0.33 0.00 -5.35 -1.05 -4.61 119.36 113.39 1k3g n ILE 48 Ca 0.14 -0.59 0.22 0.00 -0.27 0.00 0.00 62.75 62.25 1k3g n ILE 48 Cb 0.45 1.29 0.44 0.00 -1.74 0.00 0.00 39.64 40.08 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 4.42 0.34 -0.65 7.28 3.58 -1.77 0.21 116.42 129.83 1k3g h ASP 49 Ca 0.00 0.21 -0.39 0.00 0.42 0.00 0.00 57.03 57.27 1k3g h ASP 49 Cb 0.96 0.20 -0.23 0.00 1.72 0.00 0.00 39.33 41.98 1k3g h ASP 49 CO 0.00 -0.19 0.11 0.29 -2.88 0.00 0.00 179.24 176.57 1k3g n LYS 50 N -5.14 2.32 -0.15 0.28 5.02 -1.26 -4.11 118.16 115.13 1k3g n LYS 50 Ca 0.30 -3.32 -0.06 0.00 -2.02 0.00 0.00 58.31 53.21 1k3g n LYS 50 Cb 0.96 -2.04 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.35 0.57 -0.51 7.82 0.00 -0.75 -2.42 119.26 125.32 1k3g h ALA 51 Ca 0.39 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.45 1k3g h ALA 51 Cb 1.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1k3g h ALA 51 CO 0.79 -0.08 0.41 0.78 0.00 0.00 0.00 179.25 181.14 1k3g h GLY 52 N 0.50 0.00 0.94 0.00 0.00 -1.48 0.22 103.07 103.24 1k3g h GLY 52 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.29 1k3g h GLY 52 CO -0.11 0.00 -0.99 0.00 0.00 0.00 0.00 176.54 175.44 1k3g h ALA 53 N 1.66 -0.05 -0.10 3.60 0.00 -1.63 -3.37 119.26 119.37 1k3g h ALA 53 Ca 0.24 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1k3g h ALA 53 Cb 1.05 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1k3g h ALA 53 CO -0.00 0.50 0.01 -0.91 0.00 0.00 0.00 179.25 178.85 1k3g h ASN 54 N -0.07 0.16 -4.66 0.00 2.35 -0.43 -3.46 115.58 109.48 1k3g h ASN 54 Ca -0.16 -0.28 -0.21 0.00 -0.55 0.00 0.00 56.30 55.09 1k3g h ASN 54 Cb 1.74 -0.04 -0.23 0.00 0.05 0.00 0.00 38.32 39.84 1k3g h ASN 54 CO 0.19 0.40 -0.71 -0.31 -1.65 0.00 0.00 177.43 175.34 1k3g s TYR 55 N -5.08 0.33 0.88 1.19 2.02 0.52 -5.11 117.35 112.10 1k3g s TYR 55 Ca -0.14 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 1k3g s TYR 55 Cb 0.05 -0.22 0.12 0.00 -0.40 0.00 0.00 41.96 41.51 1k3g s TYR 55 CO 0.70 -0.12 1.12 -1.54 -1.57 0.00 0.00 175.55 174.14 1k3g s SER 56 N -1.17 3.76 0.25 2.29 1.04 -1.26 -3.93 113.70 114.68 1k3g s SER 56 Ca -0.11 1.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.35 1k3g s SER 56 Cb -0.08 -1.72 0.46 0.00 0.10 0.00 0.00 66.02 64.78 1k3g s SER 56 CO -0.00 -2.40 1.64 1.05 0.98 0.00 0.00 173.24 174.50 1k3g h GLU 57 N -1.39 0.12 -0.87 4.02 9.09 -1.90 0.87 114.58 124.52 1k3g h GLU 57 Ca -0.50 -0.01 0.05 0.00 0.05 0.00 0.00 59.36 58.96 1k3g h GLU 57 Cb 1.31 -0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 28.33 1k3g h GLU 57 CO 0.61 0.08 0.55 0.93 0.05 0.00 0.00 179.01 181.23 1k3g h GLU 58 N 0.13 1.00 0.01 1.06 4.39 -1.92 0.21 114.58 119.45 1k3g h GLU 58 Ca 0.42 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.95 1k3g h GLU 58 Cb 0.75 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1k3g h GLU 58 CO -0.65 0.66 -0.46 0.93 -1.16 0.00 0.00 179.01 178.34 1k3g h GLU 59 N 1.03 0.29 -0.54 2.33 5.08 -1.41 -1.50 114.58 119.87 1k3g h GLU 59 Ca 0.37 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1k3g h GLU 59 Cb 0.11 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1k3g h GLU 59 CO -0.15 1.04 0.33 0.82 -1.00 0.00 0.00 179.01 180.04 1k3g h ILE 60 N -0.31 1.16 -0.34 3.13 2.04 -0.74 -0.70 117.51 121.75 1k3g h ILE 60 Ca -0.06 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1k3g h ILE 60 Cb 1.20 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1k3g h ILE 60 CO 0.09 0.16 0.00 0.25 0.00 0.00 0.00 178.15 178.65 1k3g h LEU 61 N 0.72 -0.13 -0.57 1.44 5.85 -0.57 0.14 115.31 122.19 1k3g h LEU 61 Ca 0.19 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.08 1k3g h LEU 61 Cb -0.02 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 1k3g h LEU 61 CO -0.04 -0.03 0.20 -0.78 -0.34 0.00 0.00 178.44 177.45 1k3g h ASP 62 N 0.10 0.18 -0.04 1.25 3.58 -0.58 0.14 116.42 121.05 1k3g h ASP 62 Ca 0.16 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1k3g h ASP 62 Cb 0.22 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1k3g h ASP 62 CO -0.27 0.12 0.01 0.40 -2.88 0.00 0.00 179.24 176.61 1k3g h ILE 63 N 0.37 0.99 -0.63 2.25 2.04 -0.06 0.13 117.51 122.59 1k3g h ILE 63 Ca 0.28 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.20 1k3g h ILE 63 Cb 0.34 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1k3g h ILE 63 CO -0.30 0.01 0.32 0.40 0.00 0.00 0.00 178.15 178.58 1k3g h ILE 64 N 0.03 0.92 0.00 -0.67 2.04 0.03 0.24 117.51 120.10 1k3g h ILE 64 Ca 0.02 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1k3g h ILE 64 Cb 0.01 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1k3g h ILE 64 CO -0.02 0.11 -0.48 -0.07 0.00 0.00 0.00 178.15 177.69 1k3g h LEU 65 N 0.59 0.00 -2.64 1.44 3.38 -0.39 -1.17 115.31 116.52 1k3g h LEU 65 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1k3g h LEU 65 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k3g h LEU 65 CO -0.20 0.48 -0.07 0.59 0.09 0.00 0.00 178.44 179.32 1k3g n ASN 66 N -3.78 1.64 0.00 -0.43 3.02 0.41 -2.88 115.26 113.25 1k3g n ASN 66 Ca -0.01 -2.34 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1k3g n ASN 66 Cb 0.53 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.76 0.84 0.00 7.41 0.00 0.80 -4.40 105.19 109.07 1k3g n GLY 67 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.33 -4.60 117.38 127.82 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 -0.11 2.10 0.28 1.69 0.00 -1.26 0.10 105.19 108.00 1k3g n GLY 69 Ca 0.00 0.35 0.17 0.00 0.00 0.00 0.00 46.02 46.53 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 -5.09 -0.02 0.00 -2.01 -3.44 103.07 92.51 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 0.89 -0.29 0.00 0.00 0.00 176.54 177.14 1k3g s MET 71 N -3.95 4.25 -0.16 4.80 0.00 0.11 -4.99 119.30 119.37 1k3g s MET 71 Ca -0.02 1.74 -0.29 0.00 0.00 0.00 0.00 55.69 57.12 1k3g s MET 71 Cb 0.11 -3.75 -0.01 0.00 0.00 0.00 0.00 34.83 31.19 1k3g s MET 71 CO 0.53 -0.68 1.07 -1.25 0.00 0.00 0.00 175.02 174.69 1k3g s PRO 72 N 3.31 4.33 0.35 4.11 0.04 -1.26 -1.18 135.00 144.70 1k3g s PRO 72 Ca 0.58 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1k3g s PRO 72 Cb -0.24 -3.60 -0.11 0.00 0.04 0.00 0.00 34.50 30.58 1k3g s PRO 72 CO 0.18 -0.49 1.51 0.20 0.04 0.00 0.00 177.00 178.44 1k3g s GLY 73 N 1.27 2.73 0.00 0.56 0.00 -1.26 -3.57 107.32 107.05 1k3g s GLY 73 Ca 0.48 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.77 1k3g s GLY 73 CO 0.13 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.17 1k3g n GLY 74 N 0.90 0.77 0.17 0.20 0.00 -0.44 -4.70 105.19 102.08 1k3g n GLY 74 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 0.71 -2.09 -0.61 2.04 -1.61 -3.42 117.51 112.52 1k3g h ILE 75 Ca 0.00 0.00 -0.54 0.00 1.00 0.00 0.00 64.86 65.32 1k3g h ILE 75 Cb 0.90 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 1k3g h ILE 75 CO 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 178.15 177.57 1k3g s ALA 76 N -6.14 3.36 0.14 1.87 0.00 -1.26 -5.05 121.76 114.68 1k3g s ALA 76 Ca -0.14 -1.66 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 1k3g s ALA 76 Cb 0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1k3g s ALA 76 CO 0.66 0.19 0.17 0.15 0.00 0.00 0.00 175.76 176.92 1k3g s LYS 77 N -3.77 1.00 4.39 0.00 1.02 -1.26 -4.60 119.74 116.52 1k3g s LYS 77 Ca 0.34 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1k3g s LYS 77 Cb -0.05 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1k3g s LYS 77 CO 0.22 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1k3g n GLY 78 N -0.13 1.98 0.41 -3.33 0.00 -1.26 -1.61 105.19 101.24 1k3g n GLY 78 Ca -0.08 -0.46 0.20 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 -0.86 2.30 -0.84 4.61 0.00 -2.00 0.28 119.26 122.76 1k3g h ALA 79 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1k3g h ALA 79 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1k3g h ALA 79 CO 0.00 -0.56 0.54 1.49 0.00 0.00 0.00 179.25 180.72 1k3g h GLU 80 N 0.33 0.66 0.00 0.00 4.81 -1.67 0.12 114.58 118.83 1k3g h GLU 80 Ca 0.44 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1k3g h GLU 80 Cb 1.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1k3g h GLU 80 CO -0.14 0.44 -0.86 0.00 -0.73 0.00 0.00 179.01 177.72 1k3g h ALA 81 N 1.60 0.16 -0.20 2.92 0.00 -0.29 -3.34 119.26 120.11 1k3g h ALA 81 Ca 0.40 -0.90 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1k3g h ALA 81 Cb 0.61 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1k3g h ALA 81 CO -0.17 0.53 -0.11 0.93 0.00 0.00 0.00 179.25 180.43 1k3g h GLU 82 N -1.00 -0.09 -0.48 0.00 5.08 -0.72 0.56 114.58 117.93 1k3g h GLU 82 Ca -0.21 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1k3g h GLU 82 Cb 1.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1k3g h GLU 82 CO -0.13 -0.06 0.31 0.00 -1.00 0.00 0.00 179.01 178.13 1k3g h ALA 83 N 1.07 0.61 0.31 3.43 0.00 -0.99 0.04 119.26 123.72 1k3g h ALA 83 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 83 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1k3g h ALA 83 CO -0.25 0.03 -0.28 0.28 0.00 0.00 0.00 179.25 179.03 1k3g h VAL 84 N 0.62 0.42 -0.28 0.00 2.07 -1.55 0.12 116.25 117.65 1k3g h VAL 84 Ca 0.18 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1k3g h VAL 84 Cb -0.04 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 1k3g h VAL 84 CO -0.05 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.25 1k3g h ALA 85 N -0.01 -0.17 -0.45 1.67 0.00 -0.54 0.17 119.26 119.92 1k3g h ALA 85 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k3g h ALA 85 Cb 0.54 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1k3g h ALA 85 CO -0.04 -0.70 0.22 0.00 0.00 0.00 0.00 179.25 178.73 1k3g h ALA 86 N 0.74 0.58 0.01 0.00 0.00 -0.83 0.30 119.26 120.06 1k3g h ALA 86 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k3g h ALA 86 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k3g h ALA 86 CO -0.44 0.14 -0.00 2.35 0.00 0.00 0.00 179.25 181.30 1k3g h TRP 87 N 0.58 -0.01 -0.06 0.00 7.01 -0.38 -1.24 115.95 121.86 1k3g h TRP 87 Ca 0.15 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 1k3g h TRP 87 Cb 0.11 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1k3g h TRP 87 CO -0.01 0.03 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.56 1k3g h LEU 88 N -0.05 0.07 -1.85 0.65 3.38 -0.51 0.03 115.31 117.03 1k3g h LEU 88 Ca -0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1k3g h LEU 88 Cb 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1k3g h LEU 88 CO 0.00 0.13 0.16 0.00 0.09 0.00 0.00 178.44 178.83 1k3g h ALA 89 N 1.88 1.99 0.00 1.53 0.00 0.76 -0.43 119.26 124.99 1k3g h ALA 89 Ca 0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1k3g h ALA 89 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k3g h ALA 89 CO 0.01 -0.03 -0.95 0.93 0.00 0.00 0.00 179.25 179.21 1k3g h GLU 90 N 0.19 0.40 -6.47 0.00 5.08 -0.30 -3.43 114.58 110.05 1k3g h GLU 90 Ca 0.10 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 57.46 1k3g h GLU 90 Cb 0.17 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1k3g h GLU 90 CO -0.02 1.10 1.12 0.15 -1.00 0.00 0.00 179.01 180.36 1k3g s LYS 91 N -3.25 3.53 0.00 2.33 1.02 -0.19 -5.02 119.74 118.17 1k3g s LYS 91 Ca -0.06 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.00 1k3g s LYS 91 Cb 0.09 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 1k3g s LYS 91 CO 0.87 -1.62 0.08 1.63 -0.92 0.00 0.00 175.35 175.38