#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 6.03 0.21 4.52 1.11 -1.26 -4.87 116.67 122.41 1k3g s ASP 23 Ca 0.00 -0.38 -0.21 0.00 0.18 0.00 0.00 52.55 52.13 1k3g s ASP 23 Cb 0.00 -2.56 0.15 0.00 1.07 0.00 0.00 42.92 41.59 1k3g s ASP 23 CO 0.00 -1.92 1.55 0.00 1.18 0.00 0.00 175.17 175.98 1k3g h ALA 24 N 10.81 -0.04 -0.55 5.23 0.00 -1.92 0.16 119.26 132.95 1k3g h ALA 24 Ca -0.25 0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1k3g h ALA 24 Cb 1.07 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 1k3g h ALA 24 CO 1.28 -0.72 0.13 1.05 0.00 0.00 0.00 179.25 180.98 1k3g h GLU 25 N -0.02 0.26 -0.29 0.00 4.11 -1.93 0.51 114.58 117.22 1k3g h GLU 25 Ca 0.29 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 1k3g h GLU 25 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1k3g h GLU 25 CO -0.96 0.17 0.12 0.00 0.07 0.00 0.00 179.01 178.41 1k3g h ALA 26 N 1.43 0.38 0.14 1.06 0.00 -1.17 0.14 119.26 121.23 1k3g h ALA 26 Ca 0.28 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1k3g h ALA 26 Cb 0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1k3g h ALA 26 CO -0.35 -0.03 -0.27 0.28 0.00 0.00 0.00 179.25 178.87 1k3g h VAL 27 N 0.32 0.40 -0.30 0.00 2.07 -0.69 -2.43 116.25 115.63 1k3g h VAL 27 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1k3g h VAL 27 Cb 0.17 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1k3g h VAL 27 CO -0.01 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.23 1k3g h VAL 28 N -0.50 0.87 -0.14 2.57 2.07 -0.56 0.23 116.25 120.79 1k3g h VAL 28 Ca 0.03 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1k3g h VAL 28 Cb 0.52 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1k3g h VAL 28 CO -0.15 0.03 0.46 1.56 0.02 0.00 0.00 177.57 179.50 1k3g h GLN 29 N 0.18 0.00 -1.05 1.57 1.08 -0.60 -0.96 115.11 115.34 1k3g h GLN 29 Ca 0.14 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.95 1k3g h GLN 29 Cb 0.14 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.17 1k3g h GLN 29 CO -0.18 0.00 -1.12 0.94 -0.95 0.00 0.00 178.83 177.52 1k3g n GLN 30 N -3.07 1.54 0.13 1.46 0.00 0.68 -4.79 117.38 113.33 1k3g n GLN 30 Ca 0.01 -3.46 0.00 0.00 -0.00 0.00 0.00 57.00 53.55 1k3g n GLN 30 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1k3g n GLN 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1k3g n LYS 31 N -0.16 0.00 -0.03 3.69 5.02 -0.41 -4.92 118.16 121.36 1k3g n LYS 31 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1k3g n LYS 31 Cb 0.80 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.70 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 -0.82 0.49 -1.34 0.00 -0.00 -1.65 0.55 117.51 114.74 1k3g h ILE 33 Ca -0.00 0.00 0.41 0.00 -0.00 0.00 0.00 64.86 65.27 1k3g h ILE 33 Cb 0.69 0.75 -0.11 0.00 -0.00 0.00 0.00 36.82 38.15 1k3g h ILE 33 CO 0.01 0.00 0.89 -1.28 -0.00 0.00 0.00 178.15 177.77 1k3g h SER 34 N 0.00 0.22 0.00 2.16 0.87 -1.79 0.33 113.55 115.34 1k3g h SER 34 Ca 0.16 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1k3g h SER 34 Cb 0.80 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1k3g h SER 34 CO -0.00 -0.10 -1.22 0.00 -0.53 0.00 0.00 176.83 174.98 1k3g n HIS 36 N -2.48 0.00 0.00 0.00 8.25 0.05 -0.67 115.22 120.37 1k3g n HIS 36 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1k3g n HIS 36 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 0.79 1.81 0.88 -1.41 0.00 0.11 -0.71 105.19 106.66 1k3g n GLY 37 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1k3g n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k3g n GLY 38 N 0.00 -0.36 1.05 -0.02 0.00 -1.26 -4.60 105.19 100.00 1k3g n GLY 38 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1k3g n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k3g n ASP 39 N -2.24 3.29 0.00 1.61 8.00 -1.26 -4.93 116.55 121.02 1k3g n ASP 39 Ca 0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1k3g n ASP 39 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.34 0.00 -0.00 0.64 4.77 -1.22 -4.72 117.00 117.82 1k3g n LEU 40 Ca 0.17 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 1k3g n LEU 40 Cb 0.57 -0.50 0.61 0.00 -2.33 0.00 0.00 43.42 41.77 1k3g n LEU 40 CO 0.14 0.00 0.93 0.35 -1.33 0.00 0.00 177.39 177.49 1k3g n THR 41 N -2.99 0.00 0.00 -5.08 -2.24 -1.16 -0.91 114.28 101.90 1k3g n THR 41 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k3g n THR 41 Cb 0.00 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 1.47 0.16 1.07 3.38 0.00 0.11 -4.33 105.19 107.06 1k3g n GLY 42 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.29 0.00 0.52 4.61 0.00 -1.17 -4.26 120.51 120.49 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 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.85 3.14 -3.71 0.00 7.64 0.15 -4.98 113.62 114.01 1k3g n SER 44 Ca 0.00 -1.94 -0.10 0.00 1.01 0.00 0.00 58.87 57.84 1k3g n SER 44 Cb 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.57 -0.73 0.78 -0.43 0.00 -1.12 -4.96 121.76 113.73 1k3g s ALA 45 Ca 0.32 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1k3g s ALA 45 Cb 0.20 0.68 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1k3g s ALA 45 CO 0.29 -0.63 1.11 -1.25 0.00 0.00 0.00 175.76 175.27 1k3g s PRO 46 N -3.83 2.09 -0.14 0.00 0.04 -1.26 -4.34 135.00 127.56 1k3g s PRO 46 Ca 0.05 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1k3g s PRO 46 Cb 0.02 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1k3g s PRO 46 CO -0.10 -1.79 1.31 0.00 0.04 0.00 0.00 177.00 176.47 1k3g s ALA 47 N -2.70 3.64 -2.69 8.56 0.00 -1.26 -4.39 121.76 122.91 1k3g s ALA 47 Ca 0.64 0.55 0.23 0.00 0.00 0.00 0.00 51.96 53.38 1k3g s ALA 47 Cb -0.20 -3.63 0.31 0.00 0.00 0.00 0.00 23.12 19.61 1k3g s ALA 47 CO 0.53 -1.16 1.33 0.44 0.00 0.00 0.00 175.76 176.90 1k3g n ILE 48 N 5.30 0.26 -0.28 0.00 -5.35 -0.28 -4.55 119.36 114.47 1k3g n ILE 48 Ca 0.14 -0.63 0.16 0.00 -0.27 0.00 0.00 62.75 62.15 1k3g n ILE 48 Cb 0.45 1.23 0.30 0.00 -1.74 0.00 0.00 39.64 39.88 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 1.41 0.00 -1.14 7.28 2.03 -0.09 -0.40 116.55 125.64 1k3g n ASP 49 Ca 0.17 1.38 -0.01 0.00 0.52 0.00 0.00 54.79 56.84 1k3g n ASP 49 Cb 0.60 -0.54 0.22 0.00 -0.72 0.00 0.00 41.12 40.67 1k3g n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k3g n LYS 50 N -5.08 2.25 -0.25 -0.67 5.02 -1.26 -4.01 118.16 114.16 1k3g n LYS 50 Ca 0.22 -3.05 -0.03 0.00 -2.02 0.00 0.00 58.31 53.43 1k3g n LYS 50 Cb 0.74 -1.85 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 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 1.28 0.93 -0.21 7.82 0.00 -0.89 -1.58 119.26 126.61 1k3g h ALA 51 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1k3g h ALA 51 Cb 1.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1k3g h ALA 51 CO 0.38 0.20 0.34 0.78 0.00 0.00 0.00 179.25 180.95 1k3g h GLY 52 N 0.85 0.00 0.64 0.00 0.00 -1.45 0.16 103.07 103.26 1k3g h GLY 52 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.29 1k3g h GLY 52 CO -0.12 0.00 -1.75 0.00 0.00 0.00 0.00 176.54 174.66 1k3g h ALA 53 N 1.52 0.29 0.14 3.60 0.00 -1.52 -3.39 119.26 119.90 1k3g h ALA 53 Ca 0.10 -1.25 0.01 0.00 0.00 0.00 0.00 54.91 53.77 1k3g h ALA 53 Cb 0.78 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1k3g h ALA 53 CO -0.00 1.09 -0.20 -0.91 0.00 0.00 0.00 179.25 179.23 1k3g h ASN 54 N -0.08 -0.55 -5.02 0.00 2.35 -0.52 -3.46 115.58 108.31 1k3g h ASN 54 Ca -0.37 0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.27 1k3g h ASN 54 Cb 1.94 0.20 -0.18 0.00 0.05 0.00 0.00 38.32 40.33 1k3g h ASN 54 CO 0.08 -0.29 -0.70 -0.31 -1.65 0.00 0.00 177.43 174.57 1k3g s TYR 55 N -6.10 0.46 0.76 1.19 2.02 0.36 -5.11 117.35 110.94 1k3g s TYR 55 Ca -0.15 -0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 55.67 1k3g s TYR 55 Cb 0.07 -0.32 0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1k3g s TYR 55 CO 0.65 -0.24 1.14 -1.54 -1.57 0.00 0.00 175.55 173.99 1k3g s SER 56 N -2.16 4.96 0.26 2.29 1.04 -1.26 -4.07 113.70 114.76 1k3g s SER 56 Ca -0.04 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.30 1k3g s SER 56 Cb -0.02 -1.58 0.53 0.00 0.10 0.00 0.00 66.02 65.05 1k3g s SER 56 CO -0.04 -1.63 1.65 1.05 0.98 0.00 0.00 173.24 175.24 1k3g h GLU 57 N -0.86 0.17 -0.93 4.02 9.09 -1.91 0.59 114.58 124.75 1k3g h GLU 57 Ca -0.45 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 58.98 1k3g h GLU 57 Cb 1.29 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 28.30 1k3g h GLU 57 CO 0.65 0.11 0.61 1.49 0.05 0.00 0.00 179.01 181.91 1k3g h GLU 58 N 0.17 1.14 0.01 1.06 4.81 -1.93 0.24 114.58 120.09 1k3g h GLU 58 Ca 0.46 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1k3g h GLU 58 Cb 0.85 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1k3g h GLU 58 CO -0.63 0.76 -0.24 0.93 -0.73 0.00 0.00 179.01 179.10 1k3g h GLU 59 N 1.18 0.14 -0.72 1.92 4.39 -1.39 -1.67 114.58 118.43 1k3g h GLU 59 Ca 0.37 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.92 1k3g h GLU 59 Cb -0.00 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1k3g h GLU 59 CO -0.12 0.95 0.47 0.82 -1.16 0.00 0.00 179.01 179.97 1k3g h ILE 60 N -0.59 1.16 -0.09 3.13 2.04 -0.81 -0.26 117.51 122.08 1k3g h ILE 60 Ca -0.03 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1k3g h ILE 60 Cb 1.04 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1k3g h ILE 60 CO 0.05 0.17 -0.20 0.25 0.00 0.00 0.00 178.15 178.41 1k3g h LEU 61 N 0.94 -0.62 -0.41 1.44 5.85 -0.51 0.14 115.31 122.15 1k3g h LEU 61 Ca 0.27 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.18 1k3g h LEU 61 Cb -0.07 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1k3g h LEU 61 CO -0.07 -0.26 -0.17 -0.78 -0.34 0.00 0.00 178.44 176.82 1k3g h ASP 62 N -0.28 -0.59 0.03 1.25 1.82 -0.56 0.15 116.42 118.24 1k3g h ASP 62 Ca 0.09 0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1k3g h ASP 62 Cb 0.40 0.33 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 1k3g h ASP 62 CO -0.25 -0.21 -0.05 0.40 -1.61 0.00 0.00 179.24 177.52 1k3g h ILE 63 N -0.09 1.07 -0.03 2.25 2.04 -0.10 0.30 117.51 122.95 1k3g h ILE 63 Ca 0.20 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1k3g h ILE 63 Cb 0.40 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1k3g h ILE 63 CO -0.47 0.10 -0.03 0.40 0.00 0.00 0.00 178.15 178.15 1k3g h ILE 64 N 0.07 1.39 -0.23 -0.67 2.04 0.52 -2.90 117.51 117.74 1k3g h ILE 64 Ca 0.02 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 1k3g h ILE 64 Cb 0.15 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1k3g h ILE 64 CO 0.01 0.32 -0.27 -0.07 0.00 0.00 0.00 178.15 178.14 1k3g h LEU 65 N -0.41 0.44 -2.84 1.44 3.38 0.51 -0.28 115.31 117.55 1k3g h LEU 65 Ca 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1k3g h LEU 65 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1k3g h LEU 65 CO 0.01 0.70 -0.10 0.59 0.09 0.00 0.00 178.44 179.72 1k3g n ASN 66 N -4.12 1.94 0.00 -0.43 3.02 0.92 -2.04 115.26 114.56 1k3g n ASN 66 Ca -0.01 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1k3g n ASN 66 Cb 0.41 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.18 0.71 0.00 7.41 0.00 -1.09 -4.74 105.19 106.30 1k3g n GLY 67 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 7.51 0.00 0.00 1.61 7.27 -0.41 -4.53 117.38 128.84 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 -0.35 1.79 0.23 1.69 0.00 -1.26 0.36 105.19 107.65 1k3g n GLY 69 Ca 0.00 0.42 0.09 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 -5.20 -0.02 0.00 -2.01 -3.43 103.07 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 1.01 -0.29 0.00 0.00 0.00 176.54 177.26 1k3g s MET 71 N -3.85 4.20 0.05 4.80 0.00 0.16 -4.95 119.30 119.72 1k3g s MET 71 Ca -0.01 1.98 -0.29 0.00 0.00 0.00 0.00 55.69 57.37 1k3g s MET 71 Cb 0.12 -3.88 -0.18 0.00 0.00 0.00 0.00 34.83 30.89 1k3g s MET 71 CO 0.64 -0.78 1.47 -1.00 0.00 0.00 0.00 175.02 175.35 1k3g h PRO 72 N 8.96 -0.68 0.00 4.11 0.13 -1.84 -1.09 132.00 141.58 1k3g h PRO 72 Ca -0.34 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1k3g h PRO 72 Cb 1.15 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1k3g h PRO 72 CO 0.96 -0.40 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1k3g n GLY 73 N -1.04 3.29 2.36 1.56 0.00 -1.26 -4.28 105.19 105.82 1k3g n GLY 73 Ca -0.12 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.65 1.14 0.27 -0.02 0.00 -0.12 -4.68 105.19 101.13 1k3g n GLY 74 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 0.72 -2.21 -0.61 2.04 -1.87 -3.39 117.51 112.18 1k3g h ILE 75 Ca -0.28 -0.16 -0.57 0.00 1.00 0.00 0.00 64.86 64.85 1k3g h ILE 75 Cb 0.92 0.21 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 1k3g h ILE 75 CO 0.39 0.09 -0.68 0.00 0.00 0.00 0.00 178.15 177.95 1k3g s ALA 76 N -6.04 3.05 0.06 1.87 0.00 -1.26 -5.06 121.76 114.38 1k3g s ALA 76 Ca -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 1k3g s ALA 76 Cb 0.19 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1k3g s ALA 76 CO 0.76 0.27 0.03 0.15 0.00 0.00 0.00 175.76 176.97 1k3g s LYS 77 N -3.62 0.67 4.41 0.00 -0.14 -1.26 -4.55 119.74 115.25 1k3g s LYS 77 Ca 0.31 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1k3g s LYS 77 Cb -0.06 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1k3g s LYS 77 CO 0.19 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1k3g n GLY 78 N 0.07 2.19 0.41 -3.33 0.00 -1.26 -1.55 105.19 101.72 1k3g n GLY 78 Ca -0.14 -0.42 0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.81 2.21 -0.46 4.61 0.00 -1.99 0.27 119.26 123.09 1k3g h ALA 79 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1k3g h ALA 79 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1k3g h ALA 79 CO 0.00 -0.58 0.31 1.49 0.00 0.00 0.00 179.25 180.47 1k3g h GLU 80 N 0.41 0.37 0.00 0.00 4.81 -1.64 0.13 114.58 118.66 1k3g h GLU 80 Ca 0.55 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.57 1k3g h GLU 80 Cb 1.38 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1k3g h GLU 80 CO -0.25 0.24 -1.23 0.00 -0.73 0.00 0.00 179.01 177.04 1k3g n ALA 81 N -2.51 0.76 -0.06 2.92 0.00 0.67 -3.98 120.51 118.31 1k3g n ALA 81 Ca 0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 1k3g n ALA 81 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 1k3g n ALA 81 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1k3g h GLU 82 N -1.00 -0.30 -0.55 0.00 5.08 -0.67 0.82 114.58 117.97 1k3g h GLU 82 Ca -0.29 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1k3g h GLU 82 Cb 1.12 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1k3g h GLU 82 CO -0.18 -0.20 0.34 0.00 -1.00 0.00 0.00 179.01 177.98 1k3g h ALA 83 N 0.62 0.70 0.26 3.43 0.00 -0.96 0.72 119.26 124.03 1k3g h ALA 83 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k3g h ALA 83 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1k3g h ALA 83 CO -0.43 0.08 -0.20 0.28 0.00 0.00 0.00 179.25 178.98 1k3g h VAL 84 N 0.69 0.57 -0.18 0.00 2.07 -1.49 0.24 116.25 118.14 1k3g h VAL 84 Ca 0.21 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1k3g h VAL 84 Cb -0.02 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1k3g h VAL 84 CO -0.07 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.33 1k3g h ALA 85 N 0.23 -0.08 -0.86 1.67 0.00 -0.62 0.13 119.26 119.73 1k3g h ALA 85 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k3g h ALA 85 Cb 0.41 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1k3g h ALA 85 CO -0.01 -0.62 0.56 0.00 0.00 0.00 0.00 179.25 179.17 1k3g h ALA 86 N 0.86 1.36 0.07 0.00 0.00 -0.59 0.25 119.26 121.21 1k3g h ALA 86 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k3g h ALA 86 Cb 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1k3g h ALA 86 CO -0.31 0.58 -0.03 2.35 0.00 0.00 0.00 179.25 181.84 1k3g h TRP 87 N 1.17 -0.08 -0.03 0.00 7.01 -0.17 -2.95 115.95 120.90 1k3g h TRP 87 Ca 0.31 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 1k3g h TRP 87 Cb -0.11 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1k3g h TRP 87 CO 0.00 0.30 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.88 1k3g h LEU 88 N -0.48 0.04 -1.12 0.65 3.38 -0.38 0.52 115.31 117.92 1k3g h LEU 88 Ca -0.01 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1k3g h LEU 88 Cb 0.42 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1k3g h LEU 88 CO 0.02 0.05 0.61 0.00 0.09 0.00 0.00 178.44 179.20 1k3g h ALA 89 N 1.96 1.59 -0.38 1.53 0.00 -0.36 -0.15 119.26 123.45 1k3g h ALA 89 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1k3g h ALA 89 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1k3g h ALA 89 CO 0.00 0.19 -0.21 0.93 0.00 0.00 0.00 179.25 180.17 1k3g h GLU 90 N 0.93 0.82 -6.32 0.00 5.08 -0.81 -3.43 114.58 110.85 1k3g h GLU 90 Ca 0.45 -0.37 -0.55 0.00 -1.00 0.00 0.00 59.36 57.90 1k3g h GLU 90 Cb 0.46 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1k3g h GLU 90 CO -0.22 1.00 1.18 0.15 -1.00 0.00 0.00 179.01 180.12 1k3g s LYS 91 N -4.60 3.24 0.00 2.33 1.02 -0.08 -4.99 119.74 116.66 1k3g s LYS 91 Ca -0.12 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1k3g s LYS 91 Cb 0.10 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1k3g s LYS 91 CO 0.84 -1.99 0.06 1.63 -0.92 0.00 0.00 175.35 174.98