#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3g n THR 2 N 0.00 0.08 -4.12 3.17 -1.04 -1.08 -4.92 114.28 106.37 1n3g n THR 2 Ca 0.00 0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 1n3g n THR 2 Cb 0.00 -0.57 -0.02 0.00 -1.82 0.00 0.00 70.33 67.92 1n3g n THR 2 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1n3g n MET 3 N -1.20 -0.46 -2.42 -2.82 -0.00 -1.26 -4.87 117.12 104.09 1n3g n MET 3 Ca 0.15 0.04 -0.38 0.00 -0.00 0.00 0.00 57.70 57.51 1n3g n MET 3 Cb 0.18 -2.58 -0.03 0.00 -0.00 0.00 0.00 33.22 30.79 1n3g n MET 3 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1n3g s ASN 4 N -3.83 6.73 -0.01 3.17 3.84 0.02 -4.95 114.94 119.90 1n3g s ASN 4 Ca 0.32 2.21 0.02 0.00 0.21 0.00 0.00 52.86 55.62 1n3g s ASN 4 Cb -0.18 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 1n3g s ASN 4 CO 0.93 -0.52 -0.06 -0.63 -2.79 0.00 0.00 177.10 174.03 1n3g s ILE 5 N -1.47 0.48 -0.40 -5.21 1.09 -1.26 -0.65 121.20 113.78 1n3g s ILE 5 Ca 0.55 -0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.92 1n3g s ILE 5 Cb -0.27 -0.43 0.16 0.00 -1.06 0.00 0.00 42.46 40.86 1n3g s ILE 5 CO 0.34 0.15 0.42 -0.89 -0.10 0.00 0.00 174.94 174.87 1n3g s THR 6 N 0.09 -0.30 0.31 2.92 2.01 0.20 -4.89 115.64 115.98 1n3g s THR 6 Ca -0.01 -1.29 -0.10 0.00 0.31 0.00 0.00 61.69 60.60 1n3g s THR 6 Cb -0.05 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 1n3g s THR 6 CO -0.00 -0.62 0.66 -0.44 -0.69 0.00 0.00 174.62 173.52 1n3g s SER 7 N 1.10 6.59 0.00 3.53 0.01 -1.26 -4.23 113.70 119.44 1n3g s SER 7 Ca 0.22 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1n3g s SER 7 Cb -0.10 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1n3g s SER 7 CO -0.06 -0.22 0.17 1.17 0.41 0.00 0.00 173.24 174.71 1n3g n LYS 8 N -0.68 0.00 -0.07 12.44 4.81 -1.26 -4.87 118.16 128.53 1n3g n LYS 8 Ca 0.01 0.05 -0.08 0.00 -0.87 0.00 0.00 58.31 57.43 1n3g n LYS 8 Cb 0.53 -0.71 -0.03 0.00 0.02 0.00 0.00 35.03 34.85 1n3g n LYS 8 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1n3g n GLN 9 N -0.66 0.46 -2.18 1.64 6.02 -1.26 -4.89 117.38 116.50 1n3g n GLN 9 Ca 0.00 0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 1n3g n GLN 9 Cb 0.00 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1n3g n GLN 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1n3g s MET 10 N -2.78 3.28 0.00 -1.09 0.00 -1.26 -4.98 119.30 112.46 1n3g s MET 10 Ca -0.25 0.96 0.00 0.00 0.00 0.00 0.00 55.69 56.41 1n3g s MET 10 Cb 0.03 -4.17 0.00 0.00 0.00 0.00 0.00 34.83 30.70 1n3g s MET 10 CO 0.37 -1.94 0.00 0.39 0.00 0.00 0.00 175.02 173.84 1n3g n GLU 11 N 8.50 -0.61 -3.35 4.11 4.71 -1.26 -4.54 120.64 128.19 1n3g n GLU 11 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.90 1n3g n GLU 11 Cb 0.48 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.83 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1n3g s ILE 12 N -0.59 5.14 0.63 -3.67 -1.09 -1.26 -4.97 121.20 115.40 1n3g s ILE 12 Ca 0.00 -0.65 -0.15 0.00 -2.23 0.00 0.00 60.65 57.62 1n3g s ILE 12 Cb 0.00 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1n3g s ILE 12 CO 0.00 -0.49 1.08 0.42 -1.23 0.00 0.00 174.94 174.72 1n3g s THR 13 N 1.95 3.57 0.42 2.92 -4.23 -1.26 -4.77 115.64 114.23 1n3g s THR 13 Ca 0.08 0.73 0.16 0.00 -1.18 0.00 0.00 61.69 61.49 1n3g s THR 13 Cb -0.20 -3.26 0.37 0.00 1.34 0.00 0.00 72.50 70.75 1n3g s THR 13 CO 0.11 -0.45 1.87 1.55 -0.54 0.00 0.00 174.62 177.15 1n3g h PRO 14 N 0.21 0.42 -0.03 3.99 0.13 -1.98 0.13 132.00 134.86 1n3g h PRO 14 Ca -0.47 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1n3g h PRO 14 Cb 1.23 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1n3g h PRO 14 CO 0.56 0.28 -0.06 0.00 -0.23 0.00 0.00 178.00 178.55 1n3g h ALA 15 N 1.62 0.05 -0.75 -0.56 0.00 -1.99 -2.06 119.26 115.57 1n3g h ALA 15 Ca 0.44 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1n3g h ALA 15 Cb 1.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1n3g h ALA 15 CO -0.17 -0.13 0.25 0.82 0.00 0.00 0.00 179.25 180.03 1n3g h ILE 16 N -0.42 1.26 -0.03 0.00 2.04 -1.68 -0.23 117.51 118.45 1n3g h ILE 16 Ca 0.00 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 1n3g h ILE 16 Cb 0.62 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1n3g h ILE 16 CO 0.01 0.35 -0.44 0.08 0.00 0.00 0.00 178.15 178.16 1n3g h ARG 17 N 1.11 0.08 0.03 2.37 -0.00 -0.83 -2.35 114.38 114.78 1n3g h ARG 17 Ca 0.25 -0.04 -0.25 0.00 -0.00 0.00 0.00 59.98 59.94 1n3g h ARG 17 Cb 0.28 -0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.26 1n3g h ARG 17 CO -0.01 0.50 -1.04 1.96 -0.00 0.00 0.00 179.97 181.38 1n3g h GLN 18 N 0.06 0.52 0.42 0.08 1.08 -0.92 -2.14 115.11 114.22 1n3g h GLN 18 Ca 0.00 -0.60 -0.02 0.00 -1.45 0.00 0.00 58.65 56.58 1n3g h GLN 18 Cb 0.80 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1n3g h GLN 18 CO 0.06 1.22 -0.20 0.45 -0.95 0.00 0.00 178.83 179.41 1n3g h HIS 19 N 0.28 -0.53 -0.97 2.96 3.86 -0.89 -2.16 115.15 117.69 1n3g h HIS 19 Ca -0.12 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1n3g h HIS 19 Cb 1.69 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 30.27 1n3g h HIS 19 CO 0.08 -0.33 0.62 -0.24 0.86 0.00 0.00 177.93 178.93 1n3g h VAL 20 N -0.65 1.02 -0.73 2.45 3.04 -1.57 -0.89 116.25 118.91 1n3g h VAL 20 Ca -0.06 -0.36 0.07 0.00 -1.01 0.00 0.00 66.70 65.34 1n3g h VAL 20 Cb 0.44 -0.13 -0.05 0.00 -2.01 0.00 0.00 31.29 29.54 1n3g h VAL 20 CO 0.10 0.19 0.48 0.00 -1.01 0.00 0.00 177.57 177.33 1n3g h ALA 21 N 1.50 1.71 -0.22 3.17 0.00 -1.38 0.79 119.26 124.84 1n3g h ALA 21 Ca 0.44 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 1n3g h ALA 21 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1n3g h ALA 21 CO -0.19 0.17 -0.51 -0.44 0.00 0.00 0.00 179.25 178.28 1n3g h ASP 22 N 0.75 0.67 0.03 0.00 3.32 -0.49 -2.24 116.42 118.47 1n3g h ASP 22 Ca 0.32 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1n3g h ASP 22 Cb 0.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1n3g h ASP 22 CO -0.11 1.06 -0.01 0.03 -1.72 0.00 0.00 179.24 178.49 1n3g h ARG 23 N 0.48 -0.04 -0.55 3.56 2.47 -0.85 -2.48 114.38 116.98 1n3g h ARG 23 Ca 0.02 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.85 1n3g h ARG 23 Cb 1.05 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.28 1n3g h ARG 23 CO 0.10 0.59 -0.05 1.25 0.56 0.00 0.00 179.97 182.42 1n3g h LEU 24 N -0.95 -0.35 0.09 3.04 5.85 0.47 0.68 115.31 124.14 1n3g h LEU 24 Ca -0.00 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1n3g h LEU 24 Cb 0.65 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1n3g h LEU 24 CO 0.01 -0.13 -0.04 0.00 -0.34 0.00 0.00 178.44 177.93 1n3g h ALA 25 N 1.51 -0.12 0.00 1.25 0.00 -1.54 -3.01 119.26 117.35 1n3g h ALA 25 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n3g h ALA 25 Cb 0.43 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n3g h ALA 25 CO -0.50 -0.39 -0.05 0.87 0.00 0.00 0.00 179.25 179.18 1n3g h LYS 26 N -0.49 0.00 -0.04 0.00 1.79 -1.00 -2.08 116.57 114.75 1n3g h LYS 26 Ca -0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1n3g h LYS 26 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1n3g h LYS 26 CO 0.02 0.05 0.12 1.25 -1.08 0.00 0.00 179.45 179.82 1n3g h LEU 27 N 0.00 0.00 -2.05 2.94 6.46 0.50 -1.52 115.31 121.64 1n3g h LEU 27 Ca -0.00 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 1n3g h LEU 27 Cb 0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1n3g h LEU 27 CO 0.01 0.00 0.37 1.05 -0.62 0.00 0.00 178.44 179.24 1n3g h GLU 28 N 0.00 0.00 0.00 1.25 4.11 -1.50 0.41 114.58 118.84 1n3g h GLU 28 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1n3g h GLU 28 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1n3g h GLU 28 CO -0.00 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.25 1n3g n LYS 29 N -3.76 0.10 -0.94 1.06 3.00 -0.57 -2.93 118.16 114.12 1n3g n LYS 29 Ca 0.06 0.37 -0.19 0.00 -0.00 0.00 0.00 58.31 58.54 1n3g n LYS 29 Cb 0.53 -1.70 0.05 0.00 0.00 0.00 0.00 35.03 33.91 1n3g n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1n3g n TRP 30 N -1.89 1.85 -0.88 5.64 7.02 0.14 -4.81 117.44 124.51 1n3g n TRP 30 Ca 0.02 -2.04 -0.05 0.00 -1.02 0.00 0.00 57.50 54.42 1n3g n TRP 30 Cb 0.18 -0.99 -0.02 0.00 -2.42 0.00 0.00 31.31 28.06 1n3g n TRP 30 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1n3g n GLN 31 N 0.02 -1.60 -4.23 -0.99 0.00 -1.15 -4.89 117.38 104.55 1n3g n GLN 31 Ca 0.36 0.40 -0.26 0.00 -0.00 0.00 0.00 57.00 57.50 1n3g n GLN 31 Cb 0.68 -4.21 -0.08 0.00 0.00 0.00 0.00 30.24 26.63 1n3g n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1n3g s THR 32 N -1.15 3.62 0.00 1.69 2.01 -1.25 -4.91 115.64 115.65 1n3g s THR 32 Ca 0.00 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.49 1n3g s THR 32 Cb 0.00 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1n3g s THR 32 CO 0.00 -0.14 0.39 0.00 -0.69 0.00 0.00 174.62 174.18 1n3g n HIS 33 N -0.20 0.00 -0.21 4.92 1.44 -1.26 -4.12 115.22 115.79 1n3g n HIS 33 Ca -0.09 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1n3g n HIS 33 Cb 0.56 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1n3g n HIS 33 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1n3g n LEU 34 N -0.07 -0.29 0.29 2.39 -0.00 -1.26 -3.40 117.00 114.66 1n3g n LEU 34 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 1n3g n LEU 34 Cb 0.30 -0.10 -0.06 0.00 -0.00 0.00 0.00 43.42 43.57 1n3g n LEU 34 CO 0.00 -0.17 0.33 0.40 -0.00 0.00 0.00 177.39 177.94 1n3g h ILE 35 N 2.16 0.04 -2.63 1.47 1.08 -1.83 0.82 117.51 118.61 1n3g h ILE 35 Ca 0.00 -0.43 -0.74 0.00 -0.39 0.00 0.00 64.86 63.30 1n3g h ILE 35 Cb 0.00 0.06 -0.33 0.00 -3.07 0.00 0.00 36.82 33.48 1n3g h ILE 35 CO 0.00 0.01 0.33 0.59 -0.69 0.00 0.00 178.15 178.38 1n3g n ASN 36 N -5.29 5.60 -4.55 1.72 3.02 -1.26 0.36 115.26 114.84 1n3g n ASN 36 Ca -0.10 -3.45 -0.37 0.00 -0.03 0.00 0.00 54.58 50.64 1n3g n ASN 36 Cb 0.31 -1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 38.39 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n3g s PRO 37 N -2.81 2.93 0.11 3.52 0.04 -1.26 -3.63 135.00 133.90 1n3g s PRO 37 Ca 0.35 -0.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.01 1n3g s PRO 37 Cb 0.09 -4.70 -0.07 0.00 0.04 0.00 0.00 34.50 29.86 1n3g s PRO 37 CO 0.05 -2.66 0.65 -1.01 0.04 0.00 0.00 177.00 174.08 1n3g s HIS 38 N 7.77 3.85 -0.15 0.56 3.76 0.30 -0.80 115.29 130.58 1n3g s HIS 38 Ca 0.56 1.42 -0.02 0.00 -0.15 0.00 0.00 55.06 56.88 1n3g s HIS 38 Cb -0.08 -2.61 0.05 0.00 1.11 0.00 0.00 32.58 31.05 1n3g s HIS 38 CO 0.08 0.56 -0.00 0.42 -0.85 0.00 0.00 174.74 174.94 1n3g s ILE 39 N -1.13 0.69 -0.44 0.60 1.09 0.18 0.47 121.20 122.67 1n3g s ILE 39 Ca 0.32 -0.41 -0.02 0.00 -1.10 0.00 0.00 60.65 59.43 1n3g s ILE 39 Cb -0.21 -0.99 0.12 0.00 -1.06 0.00 0.00 42.46 40.31 1n3g s ILE 39 CO 0.22 0.03 0.23 -0.63 -0.10 0.00 0.00 174.94 174.69 1n3g s ILE 40 N 1.81 3.30 -0.44 2.92 1.01 -0.54 0.58 121.20 129.83 1n3g s ILE 40 Ca 0.01 -2.23 -0.06 0.00 0.00 0.00 0.00 60.65 58.37 1n3g s ILE 40 Cb -0.15 -3.25 0.12 0.00 0.01 0.00 0.00 42.46 39.18 1n3g s ILE 40 CO -0.07 -0.72 0.28 -0.22 0.00 0.00 0.00 174.94 174.21 1n3g s LEU 41 N 0.92 5.49 -0.10 2.97 2.96 -1.26 0.46 118.68 130.12 1n3g s LEU 41 Ca 0.10 -1.98 0.02 0.00 -0.22 0.00 0.00 54.13 52.04 1n3g s LEU 41 Cb -0.22 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1n3g s LEU 41 CO -0.04 -0.62 -0.15 -0.44 -1.32 0.00 0.00 176.35 173.77 1n3g s SER 42 N 2.26 3.85 -0.38 3.68 0.01 -0.79 -4.26 113.70 118.07 1n3g s SER 42 Ca 0.07 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 1n3g s SER 42 Cb -0.25 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1n3g s SER 42 CO -0.02 0.21 1.48 -0.75 0.41 0.00 0.00 173.24 174.56 1n3g s LYS 43 N 0.09 3.57 -0.01 12.44 2.20 -1.26 -0.85 119.74 135.93 1n3g s LYS 43 Ca -0.07 1.09 -0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1n3g s LYS 43 Cb -0.15 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1n3g s LYS 43 CO 0.05 -1.56 0.06 -1.21 -0.36 0.00 0.00 175.35 172.32 1n3g s GLU 44 N 4.98 3.00 0.24 4.03 8.01 -0.47 -4.79 118.70 133.70 1n3g s GLU 44 Ca 0.65 -0.50 -0.16 0.00 0.01 0.00 0.00 54.97 54.97 1n3g s GLU 44 Cb -0.16 -2.82 0.28 0.00 -4.31 0.00 0.00 34.13 27.12 1n3g s GLU 44 CO 0.32 0.65 1.55 -1.35 0.01 0.00 0.00 175.26 176.44 1n3g h PRO 45 N 4.23 -0.00 -1.89 0.39 0.10 -2.01 -0.71 132.00 132.10 1n3g h PRO 45 Ca -0.49 0.00 -0.75 0.00 0.10 0.00 0.00 66.00 64.85 1n3g h PRO 45 Cb 1.18 0.00 -0.28 0.00 0.10 0.00 0.00 31.00 32.00 1n3g h PRO 45 CO 0.61 -0.00 0.95 0.94 0.10 0.00 0.00 178.00 180.60 1n3g n GLN 46 N -5.50 2.78 0.00 1.05 7.27 -1.26 -4.99 117.38 116.73 1n3g n GLN 46 Ca 0.11 -3.56 0.00 0.00 0.07 0.00 0.00 57.00 53.62 1n3g n GLN 46 Cb 0.42 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1n3g n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1n3g n GLY 47 N -0.57 2.93 3.77 1.69 0.00 -0.27 -4.76 105.19 107.98 1n3g n GLY 47 Ca 0.54 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 1n3g n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n3g s PHE 48 N -2.68 3.92 -0.68 1.61 2.19 -0.61 -1.37 117.98 120.36 1n3g s PHE 48 Ca 0.00 1.68 -0.06 0.00 0.33 0.00 0.00 56.93 58.88 1n3g s PHE 48 Cb 0.00 -2.81 0.18 0.00 -1.31 0.00 0.00 43.02 39.08 1n3g s PHE 48 CO 0.00 0.49 0.53 0.08 1.83 0.00 0.00 175.22 178.16 1n3g s VAL 49 N -1.10 4.23 -0.90 3.12 1.01 -0.03 -2.60 120.40 124.13 1n3g s VAL 49 Ca 0.37 -2.85 -0.15 0.00 0.00 0.00 0.00 61.98 59.35 1n3g s VAL 49 Cb -0.24 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.63 1n3g s VAL 49 CO 0.27 -0.92 0.95 0.00 0.00 0.00 0.00 175.10 175.40 1n3g s ALA 50 N -0.03 3.86 -0.93 5.51 0.00 -1.03 -1.88 121.76 127.26 1n3g s ALA 50 Ca 0.17 -3.15 -0.12 0.00 0.00 0.00 0.00 51.96 48.85 1n3g s ALA 50 Cb -0.17 -3.74 0.24 0.00 0.00 0.00 0.00 23.12 19.44 1n3g s ALA 50 CO -0.05 -2.56 0.90 -0.51 0.00 0.00 0.00 175.76 173.55 1n3g s ASP 51 N 2.68 6.96 -0.39 0.00 1.01 0.17 -1.97 116.67 125.13 1n3g s ASP 51 Ca 0.25 -2.99 -0.13 0.00 0.71 0.00 0.00 52.55 50.39 1n3g s ASP 51 Cb -0.08 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1n3g s ASP 51 CO -0.09 -0.49 0.25 0.00 0.21 0.00 0.00 175.17 175.06 1n3g s ALA 52 N -0.25 3.38 -0.31 5.23 0.00 -0.57 -1.47 121.76 127.78 1n3g s ALA 52 Ca 0.23 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 1n3g s ALA 52 Cb -0.10 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1n3g s ALA 52 CO -0.09 -1.41 0.38 0.95 0.00 0.00 0.00 175.76 175.60 1n3g s THR 53 N 1.62 5.16 -0.25 0.00 -4.23 0.18 -0.48 115.64 117.63 1n3g s THR 53 Ca 0.04 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1n3g s THR 53 Cb -0.19 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.89 1n3g s THR 53 CO 0.08 0.03 -0.01 0.27 -0.54 0.00 0.00 174.62 174.45 1n3g s ILE 54 N 2.08 3.41 -0.83 2.99 -0.00 -0.23 0.11 121.20 128.73 1n3g s ILE 54 Ca 0.14 -0.72 -0.25 0.00 -0.00 0.00 0.00 60.65 59.81 1n3g s ILE 54 Cb -0.16 -2.68 0.02 0.00 -0.00 0.00 0.00 42.46 39.64 1n3g s ILE 54 CO 0.11 0.24 1.52 0.21 -0.00 0.00 0.00 174.94 177.02 1n3g s ASN 55 N 1.44 5.98 0.31 4.36 2.47 -1.24 0.77 114.94 129.02 1n3g s ASN 55 Ca 0.03 -0.67 -0.02 0.00 0.42 0.00 0.00 52.86 52.61 1n3g s ASN 55 Cb -0.16 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 1n3g s ASN 55 CO -0.02 -1.95 0.54 0.42 -3.72 0.00 0.00 177.10 172.37 1n3g s THR 56 N 6.65 5.07 0.58 -5.21 -4.23 -1.25 -2.22 115.64 115.04 1n3g s THR 56 Ca 0.49 -0.18 0.35 0.00 -1.18 0.00 0.00 61.69 61.17 1n3g s THR 56 Cb -0.06 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.35 1n3g s THR 56 CO 0.06 -0.41 2.07 1.55 -0.54 0.00 0.00 174.62 177.35 1n3g h PRO 57 N 1.33 0.00 0.00 3.99 0.13 -1.93 -0.82 132.00 134.69 1n3g h PRO 57 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1n3g h PRO 57 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1n3g h PRO 57 CO 0.64 0.00 -2.16 0.27 -0.23 0.00 0.00 178.00 176.53 1n3g n ASN 58 N -2.89 0.14 0.00 1.44 0.23 -1.26 -4.87 115.26 108.05 1n3g n ASN 58 Ca -0.02 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1n3g n ASN 58 Cb 0.22 1.08 0.00 0.00 -2.08 0.00 0.00 39.78 39.00 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n3g n GLY 59 N 1.59 3.75 3.70 4.83 0.00 -0.31 -5.08 105.19 113.67 1n3g n GLY 59 Ca -0.23 -0.22 -0.59 0.00 0.00 0.00 0.00 46.02 44.98 1n3g n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n3g n VAL 60 N -0.53 0.25 -3.30 1.61 0.31 -1.26 -3.82 118.33 111.59 1n3g n VAL 60 Ca 0.00 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 63.90 1n3g n VAL 60 Cb 0.00 -1.11 -0.06 0.00 -0.91 0.00 0.00 33.84 31.76 1n3g n VAL 60 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n3g s LEU 61 N 3.64 4.25 -0.52 7.52 1.43 0.23 -4.85 118.68 130.38 1n3g s LEU 61 Ca 1.00 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 54.69 1n3g s LEU 61 Cb -1.15 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 42.45 1n3g s LEU 61 CO 0.68 -0.04 0.66 -0.69 0.23 0.00 0.00 176.35 177.19 1n3g s VAL 62 N 0.83 4.83 -1.06 -1.59 1.01 -1.26 -1.07 120.40 122.10 1n3g s VAL 62 Ca 0.25 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1n3g s VAL 62 Cb -0.15 -4.34 0.19 0.00 0.00 0.00 0.00 36.38 32.08 1n3g s VAL 62 CO 0.10 -0.87 1.19 0.00 0.00 0.00 0.00 175.10 175.51 1n3g s ALA 63 N 2.73 4.02 -0.42 5.51 0.00 0.37 -4.80 121.76 129.17 1n3g s ALA 63 Ca 0.16 -3.31 -0.13 0.00 0.00 0.00 0.00 51.96 48.68 1n3g s ALA 63 Cb -0.19 -3.89 0.05 0.00 0.00 0.00 0.00 23.12 19.08 1n3g s ALA 63 CO 0.12 -2.63 0.29 -1.12 0.00 0.00 0.00 175.76 172.42 1n3g s SER 64 N 2.60 5.91 -0.20 0.00 0.01 -1.24 -1.51 113.70 119.27 1n3g s SER 64 Ca 0.34 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.44 1n3g s SER 64 Cb -0.06 -2.09 0.03 0.00 0.21 0.00 0.00 66.02 64.11 1n3g s SER 64 CO -0.06 -0.50 -0.17 -0.83 0.41 0.00 0.00 173.24 172.10 1n3g s GLY 65 N 1.98 1.46 -0.22 3.44 0.00 -0.83 -4.75 107.32 108.40 1n3g s GLY 65 Ca 0.03 -1.32 -0.08 0.00 0.00 0.00 0.00 44.72 43.35 1n3g s GLY 65 CO 0.06 0.36 0.08 -1.59 0.00 0.00 0.00 173.10 172.01 1n3g s LYS 66 N 1.27 3.80 -0.30 2.90 -2.85 -1.26 -2.45 119.74 120.86 1n3g s LYS 66 Ca 0.02 -0.41 -0.17 0.00 -1.00 0.00 0.00 55.97 54.41 1n3g s LYS 66 Cb -0.14 -3.30 0.20 0.00 -2.06 0.00 0.00 37.83 32.52 1n3g s LYS 66 CO -0.11 -0.00 1.22 -1.58 0.10 0.00 0.00 175.35 174.98 1n3g s HIS 67 N 1.13 -0.17 0.25 1.78 2.46 -1.07 -4.87 115.29 114.80 1n3g s HIS 67 Ca 0.05 0.31 -0.10 0.00 0.47 0.00 0.00 55.06 55.78 1n3g s HIS 67 Cb -0.14 0.10 0.36 0.00 -0.13 0.00 0.00 32.58 32.76 1n3g s HIS 67 CO 0.03 -0.08 1.59 1.49 -2.47 0.00 0.00 174.74 175.30 1n3g h GLU 68 N 5.96 0.00 -6.80 2.88 4.81 -1.86 -1.61 114.58 117.96 1n3g h GLU 68 Ca -0.22 -0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.50 1n3g h GLU 68 Cb 1.15 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.56 1n3g h GLU 68 CO 0.17 0.00 0.54 0.34 -0.73 0.00 0.00 179.01 179.33 1n3g s ASP 69 N -5.24 7.08 -0.01 1.04 2.15 -1.26 -4.34 116.67 116.09 1n3g s ASP 69 Ca -0.15 2.39 -0.24 0.00 0.43 0.00 0.00 52.55 54.99 1n3g s ASP 69 Cb 0.23 -2.63 -0.19 0.00 -0.30 0.00 0.00 42.92 40.03 1n3g s ASP 69 CO 0.76 -0.31 1.23 0.00 -0.17 0.00 0.00 175.17 176.68 1n3g h MET 70 N 4.00 0.15 -0.33 4.34 -0.00 -1.99 -1.44 114.93 119.66 1n3g h MET 70 Ca -0.47 -0.10 -0.02 0.00 -0.00 0.00 0.00 59.70 59.11 1n3g h MET 70 Cb 1.22 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 1n3g h MET 70 CO 0.68 0.67 0.10 1.88 -0.00 0.00 0.00 176.91 180.24 1n3g h TYR 71 N -0.35 0.46 -0.02 -0.10 -1.99 -1.93 -1.02 116.97 112.02 1n3g h TYR 71 Ca 0.00 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 1n3g h TYR 71 Cb 0.66 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 1n3g h TYR 71 CO 0.11 0.39 -0.67 1.15 -0.00 0.00 0.00 178.16 179.15 1n3g h THR 72 N 0.46 1.45 0.00 -2.88 2.02 -1.90 -2.65 112.91 109.41 1n3g h THR 72 Ca 0.11 -2.21 -0.06 0.00 0.77 0.00 0.00 66.41 65.02 1n3g h THR 72 Cb 0.14 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1n3g h THR 72 CO -0.01 0.64 -0.31 0.00 0.37 0.00 0.00 175.52 176.22 1n3g h ALA 73 N 1.25 1.39 -0.09 6.16 0.00 -0.07 -2.13 119.26 125.77 1n3g h ALA 73 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1n3g h ALA 73 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1n3g h ALA 73 CO 0.09 0.38 -0.30 0.82 0.00 0.00 0.00 179.25 180.24 1n3g h ILE 74 N 0.00 1.40 0.65 0.00 1.08 -1.05 -1.98 117.51 117.61 1n3g h ILE 74 Ca -0.00 -1.66 -0.03 0.00 -0.39 0.00 0.00 64.86 62.78 1n3g h ILE 74 Cb 0.58 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1n3g h ILE 74 CO 0.04 0.48 -0.47 0.78 -0.69 0.00 0.00 178.15 178.29 1n3g h ASN 75 N -0.10 -1.22 -0.53 1.72 2.35 -1.19 0.24 115.58 116.84 1n3g h ASN 75 Ca -0.01 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1n3g h ASN 75 Cb 0.93 0.37 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 1n3g h ASN 75 CO 0.06 -0.68 0.36 -0.08 -1.65 0.00 0.00 177.43 175.44 1n3g h GLU 76 N -1.07 0.39 0.30 0.81 4.81 -1.51 0.08 114.58 118.39 1n3g h GLU 76 Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1n3g h GLU 76 Cb 0.88 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1n3g h GLU 76 CO 0.04 0.26 -0.15 1.25 -0.73 0.00 0.00 179.01 179.69 1n3g h LEU 77 N 0.40 -0.35 -1.20 1.64 6.46 -0.82 -2.81 115.31 118.64 1n3g h LEU 77 Ca 0.24 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 1n3g h LEU 77 Cb 0.42 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1n3g h LEU 77 CO -0.06 -0.01 0.07 -0.29 -0.62 0.00 0.00 178.44 177.53 1n3g h ILE 78 N -0.71 1.20 0.42 4.05 -0.00 -0.11 -2.69 117.51 119.67 1n3g h ILE 78 Ca -0.04 -0.73 -0.01 0.00 -0.00 0.00 0.00 64.86 64.08 1n3g h ILE 78 Cb 0.49 0.81 -0.02 0.00 -0.00 0.00 0.00 36.82 38.09 1n3g h ILE 78 CO 0.07 0.26 -0.40 0.78 -0.00 0.00 0.00 178.15 178.86 1n3g h ASN 79 N 0.60 -1.08 -0.76 2.19 4.21 -0.96 -1.35 115.58 118.43 1n3g h ASN 79 Ca 0.14 0.09 0.08 0.00 1.21 0.00 0.00 56.30 57.81 1n3g h ASN 79 Cb 0.27 0.36 -0.06 0.00 -1.12 0.00 0.00 38.32 37.77 1n3g h ASN 79 CO 0.00 -0.56 0.43 0.50 -1.29 0.00 0.00 177.43 176.52 1n3g h LYS 80 N -0.83 0.74 -0.19 0.81 3.11 -1.42 -2.34 116.57 116.44 1n3g h LYS 80 Ca -0.04 -0.04 0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1n3g h LYS 80 Cb 0.74 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 31.75 1n3g h LYS 80 CO -0.05 0.49 -0.15 -0.07 -2.81 0.00 0.00 179.45 176.86 1n3g h LEU 81 N 0.76 -0.49 0.20 5.20 3.38 -1.13 -0.28 115.31 122.95 1n3g h LEU 81 Ca 0.36 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1n3g h LEU 81 Cb 0.27 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1n3g h LEU 81 CO -0.22 -0.19 -0.32 -0.08 0.09 0.00 0.00 178.44 177.72 1n3g h GLU 82 N -0.16 -0.53 -0.49 1.13 4.81 -0.72 0.73 114.58 119.36 1n3g h GLU 82 Ca 0.12 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.48 1n3g h GLU 82 Cb 0.33 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.73 1n3g h GLU 82 CO -0.29 -0.35 -0.24 -0.09 -0.73 0.00 0.00 179.01 177.30 1n3g h ARG 83 N -0.55 -0.13 -0.29 1.92 2.43 -1.37 0.45 114.38 116.83 1n3g h ARG 83 Ca -0.02 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1n3g h ARG 83 Cb 0.51 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1n3g h ARG 83 CO -0.11 -0.09 0.10 1.96 -1.51 0.00 0.00 179.97 180.33 1n3g h GLN 84 N -0.14 0.23 0.25 0.20 4.20 -0.80 -2.75 115.11 116.30 1n3g h GLN 84 Ca 0.22 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1n3g h GLN 84 Cb 0.49 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1n3g h GLN 84 CO -0.57 0.15 -0.12 1.25 -0.67 0.00 0.00 178.83 178.87 1n3g h LEU 85 N 0.24 -0.28 -0.73 1.46 6.46 0.19 -2.70 115.31 119.96 1n3g h LEU 85 Ca 0.13 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 58.10 1n3g h LEU 85 Cb 0.09 0.07 -0.14 0.00 -0.73 0.00 0.00 40.66 39.96 1n3g h LEU 85 CO -0.13 -0.19 0.03 0.59 -0.62 0.00 0.00 178.44 178.12 1n3g n ASN 86 N -2.95 -0.07 0.00 1.25 4.13 0.14 0.18 115.26 117.95 1n3g n ASN 86 Ca -0.04 1.23 0.00 0.00 1.68 0.00 0.00 54.58 57.45 1n3g n ASN 86 Cb 0.13 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 1n3g n ASN 86 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1n3g n LYS 87 N -4.99 0.00 0.04 3.52 0.00 -1.04 -1.53 118.16 114.16 1n3g n LYS 87 Ca 0.17 0.49 0.05 0.00 0.00 0.00 0.00 58.31 59.03 1n3g n LYS 87 Cb 0.57 -1.39 0.25 0.00 0.00 0.00 0.00 35.03 34.46 1n3g n LYS 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1n3g n LEU 88 N -1.96 0.15 0.06 3.14 0.00 -0.61 -1.81 117.00 115.96 1n3g n LEU 88 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 56.01 56.58 1n3g n LEU 88 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 43.42 42.81 1n3g n LEU 88 CO 0.00 -0.47 -0.16 -0.61 0.00 0.00 0.00 177.39 176.15 1n3g h GLN 89 N 0.00 0.00 -4.57 1.96 -0.00 0.20 -3.42 115.11 109.28 1n3g h GLN 89 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.03 1n3g h GLN 89 Cb 0.14 0.00 0.07 0.00 0.00 0.00 0.00 27.48 27.69 1n3g h GLN 89 CO 0.00 0.26 2.06 1.58 0.00 0.00 0.00 178.83 182.73 1n3g n HIS 90 N -2.89 1.35 0.00 3.99 -0.00 -0.58 -3.22 115.22 113.87 1n3g n HIS 90 Ca -0.07 -1.46 0.00 0.00 0.46 0.00 0.00 57.72 56.65 1n3g n HIS 90 Cb 0.78 -1.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.21 1n3g n HIS 90 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1n3g n LYS 91 N 7.14 0.00 0.00 1.57 2.85 -1.26 -5.06 118.16 123.40 1n3g n LYS 91 Ca 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.74 1n3g n LYS 91 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n3g n GLY 92 N 0.00 1.14 3.95 2.58 0.00 -1.20 -4.79 105.19 106.87 1n3g n GLY 92 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 1n3g n GLY 92 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n3g n GLU 93 N 0.00 -3.58 0.04 1.61 0.00 -1.26 -4.85 120.64 112.59 1n3g n GLU 93 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1n3g n GLU 93 Cb 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 31.44 26.72 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n3g n ALA 94 N -4.40 3.00 0.00 4.31 0.00 -1.26 -4.33 120.51 117.83 1n3g n ALA 94 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1n3g n ALA 94 Cb 0.66 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1n3g n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n3g n ARG 95 N -3.12 0.00 -1.67 0.00 1.74 -1.26 -4.87 116.66 107.48 1n3g n ARG 95 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1n3g n ARG 95 Cb 0.19 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.61 1n3g n ARG 95 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1n3g n ARG 96 N 0.00 1.97 0.22 5.56 3.00 -1.26 -4.87 116.66 121.27 1n3g n ARG 96 Ca 0.00 0.70 0.07 0.00 -0.00 0.00 0.00 57.85 58.62 1n3g n ARG 96 Cb 0.00 -2.32 0.49 0.00 0.00 0.00 0.00 32.46 30.63 1n3g n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n3g h ALA 97 N 3.79 1.24 0.00 5.13 0.00 -1.99 -3.46 119.26 123.96 1n3g h ALA 97 Ca -0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1n3g h ALA 97 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1n3g h ALA 97 CO 0.72 0.33 0.00 0.00 0.00 0.00 0.00 179.25 180.31 1n3g n ALA 98 N -2.34 0.00 -2.89 0.00 0.00 -1.26 -5.01 120.51 109.00 1n3g n ALA 98 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1n3g n ALA 98 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1n3g n ALA 98 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1n3g s THR 99 N -3.71 5.19 -1.59 0.00 -1.32 -1.26 -5.00 115.64 107.94 1n3g s THR 99 Ca 0.00 -0.51 0.12 0.00 -1.21 0.00 0.00 61.69 60.08 1n3g s THR 99 Cb 0.00 -3.54 0.41 0.00 -1.51 0.00 0.00 72.50 67.86 1n3g s THR 99 CO 0.00 0.11 1.29 -1.54 -2.21 0.00 0.00 174.62 172.27 1n3g n SER 100 N 0.22 2.73 -0.07 8.08 3.41 -1.26 -3.90 113.62 122.84 1n3g n SER 100 Ca -0.06 -2.15 -0.08 0.00 -0.26 0.00 0.00 58.87 56.32 1n3g n SER 100 Cb 0.52 -0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 1n3g n SER 100 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1n3g n VAL 101 N 0.65 1.33 1.34 -3.33 0.31 -1.26 -4.16 118.33 113.22 1n3g n VAL 101 Ca 0.15 -0.81 0.08 0.00 -0.01 0.00 0.00 64.34 63.75 1n3g n VAL 101 Cb 0.49 -0.57 0.31 0.00 -0.91 0.00 0.00 33.84 33.16 1n3g n VAL 101 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1n3g n LYS 102 N -2.79 1.56 -0.67 5.55 5.02 -1.25 -3.62 118.16 121.96 1n3g n LYS 102 Ca -0.26 -0.85 0.05 0.00 -2.02 0.00 0.00 58.31 55.24 1n3g n LYS 102 Cb 1.07 -1.31 0.09 0.00 -0.02 0.00 0.00 35.03 34.87 1n3g n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n3g n ASP 103 N 0.11 1.28 -2.51 4.39 -0.08 -1.26 -4.88 116.55 113.60 1n3g n ASP 103 Ca 0.13 -2.76 -0.26 0.00 -1.51 0.00 0.00 54.79 50.39 1n3g n ASP 103 Cb 0.24 -0.37 -0.07 0.00 2.34 0.00 0.00 41.12 43.26 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1n3g n ALA 104 N -0.52 6.50 0.11 -1.67 0.00 -1.24 -4.37 120.51 119.31 1n3g n ALA 104 Ca 0.10 -2.94 0.09 0.00 0.00 0.00 0.00 53.44 50.69 1n3g n ALA 104 Cb 0.79 -2.25 0.01 0.00 0.00 0.00 0.00 19.45 18.00 1n3g n ALA 104 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1n3g h ASN 105 N 3.17 0.00 0.00 0.00 -0.73 -1.91 -3.33 115.58 112.78 1n3g h ASN 105 Ca 0.39 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.56 1n3g h ASN 105 Cb 0.81 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1n3g h ASN 105 CO 0.83 0.14 0.00 0.49 -0.37 0.00 0.00 177.43 178.53 1n3g n PHE 106 N -2.81 0.00 0.59 0.67 3.72 -1.26 -4.51 117.46 113.86 1n3g n PHE 106 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1n3g n PHE 106 Cb 0.61 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.51 1n3g n PHE 106 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1n3g n VAL 107 N 0.00 0.83 0.00 -4.37 0.24 -1.26 -4.92 118.33 108.85 1n3g n VAL 107 Ca 0.00 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1n3g n VAL 107 Cb 0.00 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1n3g n VAL 107 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1n3g n GLU 108 N -1.46 0.00 0.00 7.34 2.13 -1.25 -4.65 120.64 122.75 1n3g n GLU 108 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1n3g n GLU 108 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.89 1n3g n GLU 108 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1n3g n GLU 109 N 0.00 0.26 -0.51 5.31 -0.58 -1.26 -4.97 120.64 118.89 1n3g n GLU 109 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1n3g n GLU 109 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1n3g n GLU 109 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1n3g n VAL 110 N -1.25 -2.34 -0.01 2.62 0.31 -1.26 -4.98 118.33 111.42 1n3g n VAL 110 Ca 0.00 0.75 -0.00 0.00 -0.01 0.00 0.00 64.34 65.08 1n3g n VAL 110 Cb 0.00 -1.42 -0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1n3g n VAL 110 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1n3g h GLU 111 N 0.72 0.00 0.00 5.55 3.07 -2.00 -3.47 114.58 118.45 1n3g h GLU 111 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1n3g h GLU 111 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1n3g h GLU 111 CO 0.00 0.00 -0.09 -0.85 -1.40 0.00 0.00 179.01 176.67 1n3g n GLU 112 N -2.52 0.20 0.00 2.33 0.28 -1.26 -5.21 120.64 114.46 1n3g n GLU 112 Ca -0.00 -0.34 0.13 0.00 -0.16 0.00 0.00 57.16 56.79 1n3g n GLU 112 Cb 0.01 0.32 0.23 0.00 1.43 0.00 0.00 31.44 33.43 1n3g n GLU 112 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36