#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 0.00 -1.90 3.17 5.66 -0.66 -4.93 114.28 115.63 1n3g n THR 2 Ca 0.00 -0.34 -0.01 0.00 -3.05 0.00 0.00 64.05 60.65 1n3g n THR 2 Cb 0.00 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 1n3g n THR 2 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1n3g n MET 3 N -1.21 -1.01 -4.01 1.09 0.00 -1.26 -5.03 117.12 105.68 1n3g n MET 3 Ca 0.01 1.17 -0.32 0.00 -0.00 0.00 0.00 57.70 58.55 1n3g n MET 3 Cb 0.08 -2.51 -0.06 0.00 0.00 0.00 0.00 33.22 30.73 1n3g n MET 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1n3g s ASN 4 N -0.80 5.93 -0.10 6.12 0.01 0.87 -4.99 114.94 121.98 1n3g s ASN 4 Ca 0.02 0.19 -0.11 0.00 -0.71 0.00 0.00 52.86 52.25 1n3g s ASN 4 Cb -0.01 -1.75 0.03 0.00 0.41 0.00 0.00 41.25 39.93 1n3g s ASN 4 CO 0.25 0.24 0.31 -0.63 -1.51 0.00 0.00 177.10 175.76 1n3g s ILE 5 N -1.31 0.01 -0.50 0.60 1.01 -1.26 -1.13 121.20 118.62 1n3g s ILE 5 Ca 0.27 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.90 1n3g s ILE 5 Cb -0.12 -0.46 0.22 0.00 0.01 0.00 0.00 42.46 42.10 1n3g s ILE 5 CO 0.19 -0.04 0.82 0.41 0.00 0.00 0.00 174.94 176.32 1n3g n THR 6 N 2.66 0.00 -2.11 2.92 -1.04 -0.91 -4.89 114.28 110.91 1n3g n THR 6 Ca -0.14 -1.25 -0.32 0.00 -2.04 0.00 0.00 64.05 60.30 1n3g n THR 6 Cb 0.58 1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 70.34 1n3g n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1n3g s SER 7 N -0.48 6.24 -0.17 8.00 0.01 -1.26 -4.50 113.70 121.54 1n3g s SER 7 Ca 0.31 1.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.11 1n3g s SER 7 Cb 0.12 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1n3g s SER 7 CO -0.16 -0.86 -0.02 -0.75 0.41 0.00 0.00 173.24 171.87 1n3g s LYS 8 N -4.46 3.69 0.00 12.44 2.36 -1.25 -4.81 119.74 127.71 1n3g s LYS 8 Ca 0.59 -0.50 0.00 0.00 -2.55 0.00 0.00 55.97 53.51 1n3g s LYS 8 Cb -0.12 -2.99 0.00 0.00 -1.05 0.00 0.00 37.83 33.67 1n3g s LYS 8 CO 0.41 0.19 0.00 1.04 1.55 0.00 0.00 175.35 178.53 1n3g n GLN 9 N 3.72 0.00 -2.68 4.03 6.02 -1.26 -3.80 117.38 123.41 1n3g n GLN 9 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 1n3g n GLN 9 Cb 0.52 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.76 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 0.00 4.37 0.30 -1.09 0.00 -1.26 -5.04 119.30 116.58 1n3g s MET 10 Ca 0.00 1.38 -0.05 0.00 0.00 0.00 0.00 55.69 57.02 1n3g s MET 10 Cb 0.00 -3.57 0.07 0.00 0.00 0.00 0.00 34.83 31.33 1n3g s MET 10 CO 0.00 -0.42 0.31 -0.85 0.00 0.00 0.00 175.02 174.07 1n3g n GLU 11 N 5.44 -1.07 -3.47 4.11 0.28 -1.26 -4.72 120.64 119.95 1n3g n GLU 11 Ca 0.10 -0.50 -0.40 0.00 -0.16 0.00 0.00 57.16 56.20 1n3g n GLU 11 Cb 0.48 -0.40 -0.10 0.00 1.43 0.00 0.00 31.44 32.85 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1n3g s ILE 12 N -1.62 5.23 0.54 3.84 -1.09 -1.26 -5.03 121.20 121.80 1n3g s ILE 12 Ca 0.19 0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 1n3g s ILE 12 Cb -0.01 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 37.06 1n3g s ILE 12 CO 0.14 0.00 0.99 0.42 -1.23 0.00 0.00 174.94 175.26 1n3g s THR 13 N 1.89 4.58 0.49 2.92 -4.23 -1.26 -4.82 115.64 115.21 1n3g s THR 13 Ca 0.09 1.12 0.26 0.00 -1.18 0.00 0.00 61.69 61.99 1n3g s THR 13 Cb -0.17 -3.76 0.44 0.00 1.34 0.00 0.00 72.50 70.35 1n3g s THR 13 CO 0.11 -0.79 1.89 1.55 -0.54 0.00 0.00 174.62 176.83 1n3g h PRO 14 N 0.63 0.15 0.20 3.99 0.13 -1.98 0.60 132.00 135.71 1n3g h PRO 14 Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1n3g h PRO 14 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n3g h PRO 14 CO 0.62 0.10 -0.09 0.00 -0.23 0.00 0.00 178.00 178.39 1n3g h ALA 15 N 1.60 -0.26 -0.54 -0.56 0.00 -1.99 -2.21 119.26 115.30 1n3g h ALA 15 Ca 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1n3g h ALA 15 Cb 1.43 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1n3g h ALA 15 CO -0.07 -0.35 0.35 0.82 0.00 0.00 0.00 179.25 179.99 1n3g h ILE 16 N -0.85 1.11 -0.53 0.00 2.04 -1.75 -0.64 117.51 116.89 1n3g h ILE 16 Ca -0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1n3g h ILE 16 Cb 0.52 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1n3g h ILE 16 CO 0.04 0.13 0.23 0.08 0.00 0.00 0.00 178.15 178.64 1n3g h ARG 17 N 0.70 0.76 -0.12 2.37 0.11 -1.00 -1.67 114.38 115.54 1n3g h ARG 17 Ca 0.21 -0.10 -0.15 0.00 0.10 0.00 0.00 59.98 60.03 1n3g h ARG 17 Cb -0.05 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 30.88 1n3g h ARG 17 CO -0.06 0.61 -0.58 0.37 0.10 0.00 0.00 179.97 180.40 1n3g h GLN 18 N 0.76 0.37 0.32 0.08 5.75 -0.77 -2.32 115.11 119.30 1n3g h GLN 18 Ca 0.19 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1n3g h GLN 18 Cb 0.12 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1n3g h GLN 18 CO -0.02 0.85 -0.15 0.45 -2.65 0.00 0.00 178.83 177.30 1n3g h HIS 19 N 0.28 -0.40 -0.79 3.99 3.86 -0.54 -2.76 115.15 118.79 1n3g h HIS 19 Ca -0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1n3g h HIS 19 Cb 1.10 0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.66 1n3g h HIS 19 CO 0.03 -0.06 0.52 -0.24 0.86 0.00 0.00 177.93 179.04 1n3g h VAL 20 N -0.82 1.10 0.45 2.45 3.04 -1.40 -2.26 116.25 118.82 1n3g h VAL 20 Ca -0.04 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 1n3g h VAL 20 Cb 0.52 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 1n3g h VAL 20 CO 0.07 0.17 -0.38 0.00 -1.01 0.00 0.00 177.57 176.43 1n3g h ALA 21 N 1.55 -0.87 -0.69 3.17 0.00 -1.40 -0.01 119.26 121.01 1n3g h ALA 21 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1n3g h ALA 21 Cb 0.09 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1n3g h ALA 21 CO -0.10 -1.02 0.37 0.22 0.00 0.00 0.00 179.25 178.72 1n3g h ASP 22 N -0.83 0.53 -0.19 0.00 1.82 -1.25 -0.55 116.42 115.95 1n3g h ASP 22 Ca -0.04 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1n3g h ASP 22 Cb 0.72 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1n3g h ASP 22 CO -0.02 0.33 0.09 0.03 -1.61 0.00 0.00 179.24 178.06 1n3g h ARG 23 N 0.66 0.32 -0.21 0.28 -0.00 -1.13 -1.60 114.38 112.70 1n3g h ARG 23 Ca 0.32 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.98 59.65 1n3g h ARG 23 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.14 1n3g h ARG 23 CO -0.21 0.27 -0.36 1.25 0.00 0.00 0.00 179.97 180.92 1n3g h LEU 24 N 0.33 0.47 -0.36 3.04 5.85 0.61 -2.69 115.31 122.56 1n3g h LEU 24 Ca 0.08 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 1n3g h LEU 24 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1n3g h LEU 24 CO -0.01 0.79 -0.38 0.00 -0.34 0.00 0.00 178.44 178.50 1n3g h ALA 25 N 1.24 0.53 -0.44 1.25 0.00 -0.74 -3.19 119.26 117.92 1n3g h ALA 25 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1n3g h ALA 25 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1n3g h ALA 25 CO 0.07 0.64 0.22 -0.22 0.00 0.00 0.00 179.25 179.95 1n3g h LYS 26 N 0.71 0.62 -0.15 0.00 1.63 -1.33 -1.97 116.57 116.07 1n3g h LYS 26 Ca 0.05 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1n3g h LYS 26 Cb 0.98 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1n3g h LYS 26 CO 0.09 0.52 0.24 1.25 -3.45 0.00 0.00 179.45 178.11 1n3g h LEU 27 N 0.56 0.00 -1.81 5.20 7.12 -1.47 0.73 115.31 125.64 1n3g h LEU 27 Ca 0.15 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 1n3g h LEU 27 Cb 0.10 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1n3g h LEU 27 CO -0.02 0.00 -0.12 -0.33 -0.13 0.00 0.00 178.44 177.84 1n3g h GLU 28 N 0.00 0.00 -0.72 1.25 5.08 -1.35 -1.46 114.58 117.38 1n3g h GLU 28 Ca 0.07 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.21 1n3g h GLU 28 Cb 0.55 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 1n3g h GLU 28 CO -0.00 0.12 0.26 1.63 -1.00 0.00 0.00 179.01 180.02 1n3g n LYS 29 N -4.29 3.62 -1.22 2.33 5.02 0.25 -4.43 118.16 119.44 1n3g n LYS 29 Ca -0.03 -3.09 -0.23 0.00 -2.02 0.00 0.00 58.31 52.94 1n3g n LYS 29 Cb 0.19 -2.20 0.15 0.00 -0.02 0.00 0.00 35.03 33.16 1n3g n LYS 29 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1n3g n TRP 30 N -0.23 2.74 -1.15 2.13 7.02 -0.55 -4.89 117.44 122.51 1n3g n TRP 30 Ca 0.41 -2.13 -0.05 0.00 -1.02 0.00 0.00 57.50 54.71 1n3g n TRP 30 Cb 1.38 -0.96 -0.02 0.00 -2.42 0.00 0.00 31.31 29.28 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 -1.06 -1.11 0.00 -0.99 0.00 -1.26 -4.81 117.38 108.14 1n3g n GLN 31 Ca 0.55 0.28 0.00 0.00 -0.00 0.00 0.00 57.00 57.83 1n3g n GLN 31 Cb 1.27 -4.37 0.00 0.00 0.00 0.00 0.00 30.24 27.13 1n3g n GLN 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1n3g n THR 32 N -1.33 0.00 0.00 1.69 -1.04 -1.26 -5.10 114.28 107.24 1n3g n THR 32 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1n3g n THR 32 Cb 0.16 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1n3g n THR 32 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1n3g n HIS 33 N 0.00 0.00 -1.55 -1.42 -0.00 -1.26 -4.88 115.22 106.10 1n3g n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1n3g n HIS 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1n3g n HIS 33 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1n3g n LEU 34 N 0.00 -1.83 0.11 0.27 7.99 -1.26 -3.57 117.00 118.71 1n3g n LEU 34 Ca 0.00 2.87 0.00 0.00 -0.01 0.00 0.00 56.01 58.87 1n3g n LEU 34 Cb 0.00 -3.02 0.00 0.00 -0.11 0.00 0.00 43.42 40.29 1n3g n LEU 34 CO 0.00 -0.40 0.00 2.30 -1.51 0.00 0.00 177.39 177.78 1n3g n ILE 35 N -2.04 0.07 -3.31 -0.08 -5.35 -0.66 0.20 119.36 108.19 1n3g n ILE 35 Ca 0.00 0.02 -0.37 0.00 -0.27 0.00 0.00 62.75 62.14 1n3g n ILE 35 Cb 0.32 -0.46 -0.04 0.00 -1.74 0.00 0.00 39.64 37.72 1n3g n ILE 35 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1n3g n ASN 36 N -3.27 5.04 -4.55 7.28 5.03 -1.26 -1.65 115.26 121.88 1n3g n ASN 36 Ca 0.00 -3.33 -0.38 0.00 0.87 0.00 0.00 54.58 51.74 1n3g n ASN 36 Cb 0.00 -1.05 -0.03 0.00 -1.02 0.00 0.00 39.78 37.68 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1n3g s PRO 37 N -2.26 2.97 -0.11 3.52 0.04 -1.26 -3.32 135.00 134.58 1n3g s PRO 37 Ca 0.33 -0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 1n3g s PRO 37 Cb 0.04 -4.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.00 1n3g s PRO 37 CO 0.00 -2.53 0.70 -1.01 0.04 0.00 0.00 177.00 174.20 1n3g s HIS 38 N 7.38 3.51 -0.46 0.56 3.76 0.28 -0.09 115.29 130.22 1n3g s HIS 38 Ca 0.53 1.17 -0.00 0.00 -0.15 0.00 0.00 55.06 56.60 1n3g s HIS 38 Cb -0.08 -2.82 0.12 0.00 1.11 0.00 0.00 32.58 30.91 1n3g s HIS 38 CO 0.11 -0.01 0.24 0.42 -0.85 0.00 0.00 174.74 174.65 1n3g s ILE 39 N 1.21 3.05 -0.95 0.60 -1.09 -0.28 0.77 121.20 124.51 1n3g s ILE 39 Ca 0.35 -2.56 -0.14 0.00 -2.23 0.00 0.00 60.65 56.08 1n3g s ILE 39 Cb -0.17 -3.10 0.21 0.00 -1.58 0.00 0.00 42.46 37.83 1n3g s ILE 39 CO 0.15 -0.74 0.97 -0.63 -1.23 0.00 0.00 174.94 173.47 1n3g s ILE 40 N 0.55 5.51 -0.52 2.92 1.01 -0.18 -2.14 121.20 128.35 1n3g s ILE 40 Ca 0.12 -2.56 -0.14 0.00 0.00 0.00 0.00 60.65 58.08 1n3g s ILE 40 Cb -0.22 -4.60 0.13 0.00 0.01 0.00 0.00 42.46 37.78 1n3g s ILE 40 CO -0.04 -1.20 0.45 -0.22 0.00 0.00 0.00 174.94 173.93 1n3g s LEU 41 N 0.38 6.03 0.13 2.97 2.96 -1.25 -0.14 118.68 129.76 1n3g s LEU 41 Ca 0.26 -1.84 0.07 0.00 -0.22 0.00 0.00 54.13 52.40 1n3g s LEU 41 Cb -0.08 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1n3g s LEU 41 CO -0.08 -0.80 -0.07 -0.44 -1.32 0.00 0.00 176.35 173.63 1n3g s SER 42 N 3.27 4.49 -0.47 3.68 0.01 -0.70 -3.87 113.70 120.11 1n3g s SER 42 Ca 0.04 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.67 1n3g s SER 42 Cb -0.29 -0.88 0.03 0.00 0.21 0.00 0.00 66.02 65.10 1n3g s SER 42 CO 0.02 0.15 0.79 -0.75 0.41 0.00 0.00 173.24 173.85 1n3g s LYS 43 N -2.46 3.36 0.02 12.44 2.20 -1.25 -0.00 119.74 134.05 1n3g s LYS 43 Ca 0.23 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 1n3g s LYS 43 Cb -0.10 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1n3g s LYS 43 CO 0.15 -1.17 0.09 -1.21 -0.36 0.00 0.00 175.35 172.85 1n3g s GLU 44 N 3.31 3.03 0.28 4.03 2.02 -0.23 -4.92 118.70 126.22 1n3g s GLU 44 Ca 0.28 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.68 1n3g s GLU 44 Cb -0.13 -2.83 0.51 0.00 0.10 0.00 0.00 34.13 31.78 1n3g s GLU 44 CO 0.21 0.62 1.51 -2.30 0.02 0.00 0.00 175.26 175.33 1n3g n PRO 45 N 0.95 -0.08 -2.04 0.39 -0.01 -1.26 -1.09 135.00 131.85 1n3g n PRO 45 Ca -0.11 1.50 -0.39 0.00 -0.01 0.00 0.00 63.50 64.48 1n3g n PRO 45 Cb 0.52 -2.27 0.03 0.00 -0.01 0.00 0.00 33.50 31.78 1n3g n PRO 45 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1n3g n GLN 46 N -5.55 3.05 0.00 -0.52 7.27 -1.26 -5.01 117.38 115.36 1n3g n GLN 46 Ca 0.17 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.52 1n3g n GLN 46 Cb 0.54 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.91 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 -0.49 1.46 3.80 1.69 0.00 -0.25 -4.73 105.19 106.68 1n3g n GLY 47 Ca 0.52 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 1n3g n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n3g s PHE 48 N -1.58 3.69 -0.78 1.61 0.08 0.29 -1.07 117.98 120.22 1n3g s PHE 48 Ca 0.00 1.50 -0.04 0.00 0.12 0.00 0.00 56.93 58.51 1n3g s PHE 48 Cb 0.00 -2.70 0.20 0.00 -0.57 0.00 0.00 43.02 39.95 1n3g s PHE 48 CO 0.00 0.33 0.64 0.08 -0.10 0.00 0.00 175.22 176.17 1n3g s VAL 49 N -1.50 4.26 -0.91 -0.44 1.01 0.99 -2.50 120.40 121.31 1n3g s VAL 49 Ca 0.44 -3.31 -0.19 0.00 0.00 0.00 0.00 61.98 58.92 1n3g s VAL 49 Cb -0.18 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.65 1n3g s VAL 49 CO 0.22 -0.99 1.10 0.00 0.00 0.00 0.00 175.10 175.43 1n3g s ALA 50 N -0.63 3.39 -0.90 5.51 0.00 -0.03 -1.73 121.76 127.37 1n3g s ALA 50 Ca 0.22 -2.76 -0.17 0.00 0.00 0.00 0.00 51.96 49.25 1n3g s ALA 50 Cb -0.13 -4.01 0.15 0.00 0.00 0.00 0.00 23.12 19.13 1n3g s ALA 50 CO -0.08 -2.94 1.03 -0.51 0.00 0.00 0.00 175.76 173.26 1n3g s ASP 51 N 3.57 6.66 -0.76 0.00 1.01 0.80 0.22 116.67 128.17 1n3g s ASP 51 Ca 0.31 -2.21 -0.21 0.00 0.71 0.00 0.00 52.55 51.15 1n3g s ASP 51 Cb -0.06 -2.35 0.09 0.00 1.01 0.00 0.00 42.92 41.62 1n3g s ASP 51 CO -0.09 -0.94 1.03 0.00 0.21 0.00 0.00 175.17 175.39 1n3g s ALA 52 N 2.02 3.18 -0.57 5.23 0.00 0.69 -1.01 121.76 131.30 1n3g s ALA 52 Ca 0.29 -2.16 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 1n3g s ALA 52 Cb -0.06 -3.95 0.11 0.00 0.00 0.00 0.00 23.12 19.22 1n3g s ALA 52 CO -0.09 -2.87 0.63 0.99 0.00 0.00 0.00 175.76 174.42 1n3g s THR 53 N 3.65 4.96 -0.28 0.00 2.01 0.23 0.61 115.64 126.82 1n3g s THR 53 Ca 0.26 -1.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 1n3g s THR 53 Cb -0.12 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1n3g s THR 53 CO 0.03 -1.03 0.15 -0.63 -0.69 0.00 0.00 174.62 172.44 1n3g s ILE 54 N 2.31 4.81 -0.79 1.82 1.01 -0.42 0.10 121.20 130.05 1n3g s ILE 54 Ca 0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 1n3g s ILE 54 Cb -0.26 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 38.93 1n3g s ILE 54 CO 0.05 0.22 1.21 0.21 0.00 0.00 0.00 174.94 176.63 1n3g s ASN 55 N 1.68 6.27 0.50 3.58 3.04 -1.21 -0.58 114.94 128.22 1n3g s ASN 55 Ca 0.06 -0.95 0.01 0.00 0.04 0.00 0.00 52.86 52.02 1n3g s ASN 55 Cb -0.16 -2.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.06 1n3g s ASN 55 CO 0.07 -1.59 0.72 0.42 -3.04 0.00 0.00 177.10 173.69 1n3g s THR 56 N 4.82 3.39 0.35 -5.21 -4.23 0.30 -1.65 115.64 113.41 1n3g s THR 56 Ca 0.33 -0.56 0.32 0.00 -1.18 0.00 0.00 61.69 60.60 1n3g s THR 56 Cb -0.09 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.83 1n3g s THR 56 CO 0.06 -0.19 2.08 1.55 -0.54 0.00 0.00 174.62 177.59 1n3g h PRO 57 N 0.24 0.00 0.00 3.99 0.13 -1.94 -2.34 132.00 132.07 1n3g h PRO 57 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1n3g h PRO 57 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1n3g h PRO 57 CO 0.55 0.08 -0.93 0.27 -0.23 0.00 0.00 178.00 177.73 1n3g n ASN 58 N -3.37 0.91 0.00 1.44 0.23 -1.26 -5.07 115.26 108.14 1n3g n ASN 58 Ca -0.01 -0.87 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 1n3g n ASN 58 Cb 0.24 0.89 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 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 1.50 -0.94 3.38 4.83 0.00 -0.88 -5.10 105.19 107.98 1n3g n GLY 59 Ca 0.04 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1n3g n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n3g s VAL 60 N -2.83 3.91 -0.43 1.61 1.01 -1.26 0.11 120.40 122.52 1n3g s VAL 60 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1n3g s VAL 60 Cb 0.00 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1n3g s VAL 60 CO 0.00 0.35 0.45 -0.76 0.00 0.00 0.00 175.10 175.14 1n3g s LEU 61 N 1.55 4.92 -0.60 3.92 2.01 0.25 -4.90 118.68 125.83 1n3g s LEU 61 Ca 0.06 -0.74 -0.19 0.00 0.01 0.00 0.00 54.13 53.27 1n3g s LEU 61 Cb -0.15 -2.38 0.10 0.00 0.01 0.00 0.00 46.19 43.77 1n3g s LEU 61 CO 0.01 -0.62 0.73 -0.69 1.01 0.00 0.00 176.35 176.80 1n3g s VAL 62 N 2.15 4.76 -0.64 -1.59 1.01 -1.25 -1.30 120.40 123.54 1n3g s VAL 62 Ca 0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1n3g s VAL 62 Cb -0.18 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.76 1n3g s VAL 62 CO 0.13 -1.17 0.91 0.00 0.00 0.00 0.00 175.10 174.98 1n3g s ALA 63 N 2.84 3.17 -0.18 5.51 0.00 0.20 -4.86 121.76 128.44 1n3g s ALA 63 Ca 0.13 -1.87 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 1n3g s ALA 63 Cb -0.23 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1n3g s ALA 63 CO 0.07 -2.67 0.72 -1.54 0.00 0.00 0.00 175.76 172.34 1n3g s SER 64 N 3.61 6.82 -0.44 0.00 1.04 -1.25 -0.23 113.70 123.25 1n3g s SER 64 Ca 0.21 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.66 1n3g s SER 64 Cb -0.18 -2.40 0.12 0.00 0.10 0.00 0.00 66.02 63.66 1n3g s SER 64 CO 0.10 -0.32 0.19 -0.83 0.98 0.00 0.00 173.24 173.36 1n3g s GLY 65 N 1.16 2.18 -0.43 7.32 0.00 0.13 -3.93 107.32 113.76 1n3g s GLY 65 Ca 0.33 -2.87 -0.12 0.00 0.00 0.00 0.00 44.72 42.06 1n3g s GLY 65 CO 0.12 1.00 0.30 0.54 0.00 0.00 0.00 173.10 175.05 1n3g s LYS 66 N 0.43 2.83 -0.18 2.90 -0.14 -1.24 -0.85 119.74 123.49 1n3g s LYS 66 Ca 0.13 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.17 1n3g s LYS 66 Cb -0.22 -3.92 0.13 0.00 -1.68 0.00 0.00 37.83 32.14 1n3g s LYS 66 CO -0.04 -0.90 1.00 -1.58 -0.76 0.00 0.00 175.35 173.07 1n3g s HIS 67 N 1.56 -0.39 0.17 3.18 2.46 -1.04 -4.89 115.29 116.33 1n3g s HIS 67 Ca 0.03 0.74 -0.14 0.00 0.47 0.00 0.00 55.06 56.17 1n3g s HIS 67 Cb -0.22 0.43 0.06 0.00 -0.13 0.00 0.00 32.58 32.72 1n3g s HIS 67 CO 0.06 -0.32 1.78 0.93 -2.47 0.00 0.00 174.74 174.72 1n3g h GLU 68 N 2.89 0.73 -6.79 2.88 5.08 -1.88 0.82 114.58 118.31 1n3g h GLU 68 Ca -0.20 -0.08 -0.49 0.00 -1.00 0.00 0.00 59.36 57.59 1n3g h GLU 68 Cb 1.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1n3g h GLU 68 CO 0.27 0.56 0.38 -0.51 -1.00 0.00 0.00 179.01 178.71 1n3g s ASP 69 N -5.81 7.47 -0.01 1.42 1.01 -1.26 -4.50 116.67 114.99 1n3g s ASP 69 Ca -0.13 2.01 -0.25 0.00 0.71 0.00 0.00 52.55 54.88 1n3g s ASP 69 Cb 0.12 -2.61 -0.19 0.00 1.01 0.00 0.00 42.92 41.25 1n3g s ASP 69 CO 0.76 0.03 1.31 0.00 0.21 0.00 0.00 175.17 177.47 1n3g h MET 70 N 3.84 0.03 -0.02 8.23 -0.00 -1.99 -1.09 114.93 123.92 1n3g h MET 70 Ca -0.46 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.70 59.15 1n3g h MET 70 Cb 1.20 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.79 1n3g h MET 70 CO 0.67 0.47 -0.33 1.88 -0.00 0.00 0.00 176.91 179.60 1n3g h TYR 71 N -0.41 0.04 0.00 -0.10 -1.99 -1.96 -1.48 116.97 111.07 1n3g h TYR 71 Ca 0.00 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1n3g h TYR 71 Cb 0.47 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 1n3g h TYR 71 CO 0.08 0.36 -0.31 1.15 -0.00 0.00 0.00 178.16 179.45 1n3g h THR 72 N 0.03 0.64 -0.18 -2.88 2.02 -1.94 -2.25 112.91 108.36 1n3g h THR 72 Ca 0.00 -1.48 -0.20 0.00 0.77 0.00 0.00 66.41 65.50 1n3g h THR 72 Cb 0.60 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1n3g h THR 72 CO 0.04 0.30 -0.69 0.00 0.37 0.00 0.00 175.52 175.54 1n3g h ALA 73 N 1.69 0.43 -0.05 6.16 0.00 -0.14 -1.96 119.26 125.38 1n3g h ALA 73 Ca -0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 1n3g h ALA 73 Cb 0.97 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n3g h ALA 73 CO 0.04 0.70 -0.82 0.82 0.00 0.00 0.00 179.25 179.99 1n3g h ILE 74 N 0.53 1.39 -0.18 0.00 1.08 -1.36 -2.26 117.51 116.70 1n3g h ILE 74 Ca -0.03 -2.27 -0.10 0.00 -0.39 0.00 0.00 64.86 62.07 1n3g h ILE 74 Cb 1.30 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 1n3g h ILE 74 CO 0.14 0.68 -0.34 0.78 -0.69 0.00 0.00 178.15 178.72 1n3g h ASN 75 N 0.26 0.39 -0.08 1.72 2.35 -1.40 0.11 115.58 118.93 1n3g h ASN 75 Ca -0.05 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 1n3g h ASN 75 Cb 1.42 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.69 1n3g h ASN 75 CO 0.14 0.71 -0.50 -0.08 -1.65 0.00 0.00 177.43 176.04 1n3g h GLU 76 N 0.32 0.48 -0.26 0.81 4.81 -1.31 -2.65 114.58 116.77 1n3g h GLU 76 Ca 0.04 -0.41 -0.19 0.00 -0.13 0.00 0.00 59.36 58.66 1n3g h GLU 76 Cb 0.76 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1n3g h GLU 76 CO 0.06 1.05 -0.59 1.37 -0.73 0.00 0.00 179.01 180.17 1n3g h LEU 77 N 0.04 0.96 -0.53 1.64 8.10 -1.34 -2.76 115.31 121.43 1n3g h LEU 77 Ca -0.04 -0.54 -0.03 0.00 0.11 0.00 0.00 57.88 57.39 1n3g h LEU 77 Cb 1.16 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 1n3g h LEU 77 CO 0.10 1.34 0.23 -0.29 -4.11 0.00 0.00 178.44 175.71 1n3g h ILE 78 N 0.64 1.21 -0.21 0.15 -0.00 -0.86 0.21 117.51 118.66 1n3g h ILE 78 Ca 0.00 -0.62 -0.01 0.00 -0.00 0.00 0.00 64.86 64.23 1n3g h ILE 78 Cb 1.20 0.63 -0.01 0.00 -0.00 0.00 0.00 36.82 38.64 1n3g h ILE 78 CO 0.13 0.24 0.10 -0.55 -0.00 0.00 0.00 178.15 178.07 1n3g h ASN 79 N 0.71 0.27 -0.24 2.19 7.08 -1.49 -1.02 115.58 123.08 1n3g h ASN 79 Ca 0.18 -0.12 -0.01 0.00 -3.08 0.00 0.00 56.30 53.27 1n3g h ASN 79 Cb 0.16 -0.07 -0.01 0.00 -2.08 0.00 0.00 38.32 36.32 1n3g h ASN 79 CO -0.02 0.31 0.12 0.11 -2.08 0.00 0.00 177.43 175.88 1n3g h LYS 80 N 0.20 0.34 -0.97 4.14 1.57 -1.35 -2.66 116.57 117.84 1n3g h LYS 80 Ca 0.07 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1n3g h LYS 80 Cb 0.12 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1n3g h LYS 80 CO -0.01 0.32 0.62 1.25 -0.57 0.00 0.00 179.45 181.06 1n3g h LEU 81 N 0.26 0.98 0.30 2.94 6.46 -0.83 -2.56 115.31 122.86 1n3g h LEU 81 Ca 0.08 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1n3g h LEU 81 Cb 0.09 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1n3g h LEU 81 CO -0.01 0.61 -0.26 -0.08 -0.62 0.00 0.00 178.44 178.08 1n3g h GLU 82 N 1.10 -0.55 -0.48 1.25 4.81 -0.85 -1.80 114.58 118.06 1n3g h GLU 82 Ca 0.43 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 1n3g h GLU 82 Cb 0.21 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1n3g h GLU 82 CO -0.19 -0.37 0.01 0.00 -0.73 0.00 0.00 179.01 177.74 1n3g h ARG 83 N -0.57 0.12 -0.36 1.92 3.08 -1.18 -0.66 114.38 116.73 1n3g h ARG 83 Ca -0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1n3g h ARG 83 Cb 0.51 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1n3g h ARG 83 CO -0.03 0.08 0.04 1.96 -1.07 0.00 0.00 179.97 180.95 1n3g h GLN 84 N 0.12 0.15 -0.86 0.04 4.20 -1.25 -1.57 115.11 115.94 1n3g h GLN 84 Ca 0.24 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1n3g h GLN 84 Cb 0.35 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1n3g h GLN 84 CO -0.39 0.10 0.56 1.25 -0.67 0.00 0.00 178.83 179.68 1n3g h LEU 85 N 0.15 1.00 -1.57 1.46 6.46 -0.49 -1.75 115.31 120.57 1n3g h LEU 85 Ca 0.17 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1n3g h LEU 85 Cb 0.22 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1n3g h LEU 85 CO -0.25 0.74 0.21 0.78 -0.62 0.00 0.00 178.44 179.30 1n3g h ASN 86 N 1.18 0.44 0.22 1.25 2.35 -0.18 0.25 115.58 121.09 1n3g h ASN 86 Ca 0.32 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1n3g h ASN 86 Cb -0.12 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1n3g h ASN 86 CO -0.07 0.35 -0.11 0.11 -1.65 0.00 0.00 177.43 176.07 1n3g h LYS 87 N 0.51 -0.29 0.00 0.81 1.79 -0.72 0.58 116.57 119.25 1n3g h LYS 87 Ca 0.13 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1n3g h LYS 87 Cb -0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1n3g h LYS 87 CO -0.02 0.06 0.00 -0.07 -1.08 0.00 0.00 179.45 178.33 1n3g h LEU 88 N -0.69 0.00 0.10 2.94 3.38 -1.24 -2.56 115.31 117.23 1n3g h LEU 88 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 1n3g h LEU 88 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1n3g h LEU 88 CO 0.05 0.00 -1.74 1.56 0.09 0.00 0.00 178.44 178.40 1n3g h GLN 89 N 0.00 0.21 -6.24 1.13 4.20 -0.53 -3.47 115.11 110.42 1n3g h GLN 89 Ca 0.00 -0.37 -0.67 0.00 0.06 0.00 0.00 58.65 57.68 1n3g h GLN 89 Cb 0.16 0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.10 1n3g h GLN 89 CO 0.00 1.18 0.94 1.58 -0.67 0.00 0.00 178.83 181.86 1n3g n HIS 90 N -3.76 2.15 -2.03 2.96 -0.00 0.20 -4.79 115.22 109.95 1n3g n HIS 90 Ca -0.31 0.28 -0.06 0.00 0.46 0.00 0.00 57.72 58.10 1n3g n HIS 90 Cb 0.95 -2.55 -0.04 0.00 -0.12 0.00 0.00 29.99 28.23 1n3g n HIS 90 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1n3g n LYS 91 N 5.54 0.14 0.00 1.57 4.81 -1.26 -4.97 118.16 123.99 1n3g n LYS 91 Ca 0.23 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 1n3g n LYS 91 Cb 0.22 0.49 0.00 0.00 0.02 0.00 0.00 35.03 35.76 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n3g n GLY 92 N -0.16 4.71 0.00 3.14 0.00 -1.26 -5.17 105.19 106.45 1n3g n GLY 92 Ca -0.24 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.98 0.81 -0.09 1.61 4.07 -1.26 -5.11 120.64 118.69 1n3g n GLU 93 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1n3g n GLU 93 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n3g n ALA 94 N -3.00 -0.29 -1.69 4.31 0.00 -1.26 -4.55 120.51 114.03 1n3g n ALA 94 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1n3g n ALA 94 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.47 2.65 0.20 0.00 3.00 -1.26 -4.87 116.66 114.91 1n3g n ARG 95 Ca 0.00 0.96 0.09 0.00 -0.01 0.00 0.00 57.85 58.89 1n3g n ARG 95 Cb 0.04 -2.83 0.33 0.00 0.00 0.00 0.00 32.46 30.00 1n3g n ARG 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1n3g h ARG 96 N 7.94 0.00 0.00 5.56 -0.00 -2.00 -3.44 114.38 122.44 1n3g h ARG 96 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 1n3g h ARG 96 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1n3g h ARG 96 CO 0.94 0.26 0.00 0.00 -0.00 0.00 0.00 179.97 181.17 1n3g n ALA 97 N -2.21 0.00 -1.22 0.08 0.00 -1.26 -5.16 120.51 110.75 1n3g n ALA 97 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1n3g n ALA 97 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1n3g n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3g n ALA 98 N 0.00 -1.72 -1.20 0.00 0.00 -1.26 -4.67 120.51 111.66 1n3g n ALA 98 Ca 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1n3g n ALA 98 Cb 0.00 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.41 1n3g n ALA 98 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1n3g n THR 99 N -2.47 3.11 -0.03 0.00 5.66 -1.26 -4.29 114.28 115.01 1n3g n THR 99 Ca -0.01 -1.90 -0.02 0.00 -3.05 0.00 0.00 64.05 59.07 1n3g n THR 99 Cb 0.39 -0.44 -0.13 0.00 -1.55 0.00 0.00 70.33 68.60 1n3g n THR 99 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1n3g n SER 100 N -0.91 0.39 0.03 1.09 7.64 -1.26 -2.71 113.62 117.89 1n3g n SER 100 Ca 0.54 0.17 -0.02 0.00 1.01 0.00 0.00 58.87 60.58 1n3g n SER 100 Cb 1.58 0.80 -0.01 0.00 -1.01 0.00 0.00 64.21 65.56 1n3g n SER 100 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1n3g h VAL 101 N 0.00 0.00 0.16 0.44 2.07 -1.85 -3.40 116.25 113.67 1n3g h VAL 101 Ca -0.28 -0.36 -0.31 0.00 0.82 0.00 0.00 66.70 66.57 1n3g h VAL 101 Cb 1.74 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1n3g h VAL 101 CO 0.03 0.00 -1.55 0.07 0.02 0.00 0.00 177.57 176.14 1n3g h LYS 102 N -0.48 0.34 -5.65 1.57 2.10 -1.84 -3.49 116.57 109.11 1n3g h LYS 102 Ca -0.01 -0.58 -0.11 0.00 -2.00 0.00 0.00 60.65 57.95 1n3g h LYS 102 Cb 0.09 0.21 0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1n3g h LYS 102 CO 0.02 1.28 -0.71 -3.47 -2.00 0.00 0.00 179.45 174.57 1n3g n ASP 103 N -3.76 -7.25 -4.48 7.07 2.03 -1.10 -4.86 116.55 104.19 1n3g n ASP 103 Ca -0.24 0.34 -0.44 0.00 0.52 0.00 0.00 54.79 54.97 1n3g n ASP 103 Cb 0.99 -4.32 -0.00 0.00 -0.72 0.00 0.00 41.12 37.07 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n3g s ALA 104 N -2.28 3.89 -0.92 -1.67 0.00 -1.26 -4.84 121.76 114.68 1n3g s ALA 104 Ca 0.29 -3.29 -0.02 0.00 0.00 0.00 0.00 51.96 48.94 1n3g s ALA 104 Cb -0.06 -4.21 0.34 0.00 0.00 0.00 0.00 23.12 19.19 1n3g s ALA 104 CO 0.80 -2.86 1.95 -1.71 0.00 0.00 0.00 175.76 173.95 1n3g n ASN 105 N 6.08 7.47 -2.46 0.00 5.15 -1.26 -4.77 115.26 125.47 1n3g n ASN 105 Ca 0.39 -3.78 -0.28 0.00 -0.60 0.00 0.00 54.58 50.30 1n3g n ASN 105 Cb 0.43 -1.11 -0.01 0.00 -0.53 0.00 0.00 39.78 38.56 1n3g n ASN 105 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1n3g n PHE 106 N -0.35 1.97 -2.48 1.20 -1.74 -1.26 -4.94 117.46 109.86 1n3g n PHE 106 Ca 0.51 -2.10 -0.43 0.00 -0.56 0.00 0.00 57.45 54.87 1n3g n PHE 106 Cb 0.24 -1.28 -0.02 0.00 1.52 0.00 0.00 39.48 39.94 1n3g n PHE 106 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1n3g s VAL 107 N -2.99 4.06 -0.04 1.97 0.11 -1.26 -5.00 120.40 117.25 1n3g s VAL 107 Ca 0.54 1.08 0.02 0.00 -2.93 0.00 0.00 61.98 60.69 1n3g s VAL 107 Cb 0.38 -4.42 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 1n3g s VAL 107 CO -0.21 -0.90 -0.09 -1.61 -3.33 0.00 0.00 175.10 168.97 1n3g s GLU 108 N 4.69 1.14 0.00 1.54 8.01 -1.26 -5.14 118.70 127.69 1n3g s GLU 108 Ca 0.54 -0.29 0.00 0.00 0.01 0.00 0.00 54.97 55.23 1n3g s GLU 108 Cb -0.10 -1.03 0.00 0.00 -4.31 0.00 0.00 34.13 28.69 1n3g s GLU 108 CO 0.32 0.05 0.00 0.39 0.01 0.00 0.00 175.26 176.03 1n3g n GLU 109 N 3.59 0.00 -0.91 1.61 1.02 -1.26 -4.79 120.64 119.90 1n3g n GLU 109 Ca -0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.82 1n3g n GLU 109 Cb 0.53 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.15 1n3g n GLU 109 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1n3g n VAL 110 N 0.00 2.61 -2.65 2.62 3.14 -1.26 -4.85 118.33 117.94 1n3g n VAL 110 Ca 0.00 -1.41 -0.42 0.00 -2.96 0.00 0.00 64.34 59.55 1n3g n VAL 110 Cb 0.00 -0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 32.26 1n3g n VAL 110 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1n3g s GLU 111 N -2.59 3.54 -0.89 1.45 8.01 -1.26 -4.92 118.70 122.05 1n3g s GLU 111 Ca 0.45 -1.18 -0.24 0.00 0.01 0.00 0.00 54.97 54.01 1n3g s GLU 111 Cb 0.37 -5.13 -0.17 0.00 -4.31 0.00 0.00 34.13 24.89 1n3g s GLU 111 CO 0.10 -2.10 1.91 -0.85 0.01 0.00 0.00 175.26 174.34 1n3g n GLU 112 N 8.37 1.12 0.00 1.61 0.28 -1.26 -5.08 120.64 125.68 1n3g n GLU 112 Ca 0.27 -1.97 0.13 0.00 -0.16 0.00 0.00 57.16 55.43 1n3g n GLU 112 Cb 0.50 -3.37 0.38 0.00 1.43 0.00 0.00 31.44 30.39 1n3g n GLU 112 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36