#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 0.03 -3.63 2.03 5.66 -1.07 -4.96 114.28 112.34 1n3g n THR 2 Ca 0.00 -0.11 -0.19 0.00 -3.05 0.00 0.00 64.05 60.70 1n3g n THR 2 Cb 0.00 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 1n3g n THR 2 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1n3g n MET 3 N -0.48 -1.48 -2.79 1.09 2.00 -1.26 -4.90 117.12 109.29 1n3g n MET 3 Ca 0.19 0.91 -0.40 0.00 0.00 0.00 0.00 57.70 58.40 1n3g n MET 3 Cb 0.19 -3.07 -0.05 0.00 0.00 0.00 0.00 33.22 30.29 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 -3.00 7.50 0.09 7.83 0.01 0.55 -4.96 114.94 122.97 1n3g s ASN 4 Ca 0.01 1.79 0.07 0.00 -0.71 0.00 0.00 52.86 54.02 1n3g s ASN 4 Cb -0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1n3g s ASN 4 CO 0.86 0.04 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.68 1n3g s ILE 5 N -0.50 1.57 -0.37 0.60 -1.09 -1.26 0.11 121.20 120.26 1n3g s ILE 5 Ca 0.43 -1.46 0.12 0.00 -2.23 0.00 0.00 60.65 57.51 1n3g s ILE 5 Cb -0.24 -1.44 0.41 0.00 -1.58 0.00 0.00 42.46 39.61 1n3g s ILE 5 CO 0.29 -0.07 1.17 0.41 -1.23 0.00 0.00 174.94 175.51 1n3g n THR 6 N 1.19 0.36 -1.90 2.92 -1.04 0.70 -4.84 114.28 111.67 1n3g n THR 6 Ca -0.20 -2.19 -0.41 0.00 -2.04 0.00 0.00 64.05 59.21 1n3g n THR 6 Cb 0.54 0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 69.88 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 -1.96 6.52 0.00 8.00 0.01 -1.26 -4.62 113.70 120.40 1n3g s SER 7 Ca 0.25 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.30 1n3g s SER 7 Cb 0.41 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1n3g s SER 7 CO -0.04 -0.81 0.00 1.17 0.41 0.00 0.00 173.24 173.97 1n3g n LYS 8 N 2.39 0.00 -0.04 12.44 4.81 -1.26 -4.78 118.16 131.71 1n3g n LYS 8 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.38 1n3g n LYS 8 Cb 0.39 -0.11 -0.14 0.00 0.02 0.00 0.00 35.03 35.19 1n3g n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3g n GLN 9 N 0.00 0.68 -2.78 1.64 -0.00 -1.26 -4.74 117.38 110.92 1n3g n GLN 9 Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 57.00 56.79 1n3g n GLN 9 Cb 0.00 -1.69 -0.03 0.00 -0.00 0.00 0.00 30.24 28.52 1n3g n GLN 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1n3g s MET 10 N -2.56 3.29 0.89 2.61 1.75 -1.26 -5.02 119.30 119.01 1n3g s MET 10 Ca -0.15 -0.96 -0.11 0.00 -1.25 0.00 0.00 55.69 53.23 1n3g s MET 10 Cb 0.07 -4.52 0.12 0.00 2.84 0.00 0.00 34.83 33.35 1n3g s MET 10 CO 0.78 -1.92 1.11 -0.85 -0.65 0.00 0.00 175.02 173.49 1n3g n GLU 11 N 7.93 -0.28 -2.92 4.11 0.28 -1.26 -4.51 120.64 123.98 1n3g n GLU 11 Ca 0.08 -0.01 -0.43 0.00 -0.16 0.00 0.00 57.16 56.64 1n3g n GLU 11 Cb 0.48 -2.36 -0.05 0.00 1.43 0.00 0.00 31.44 30.94 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 -2.48 4.66 0.61 3.84 1.09 -1.26 -5.04 121.20 122.62 1n3g s ILE 12 Ca 0.68 0.78 -0.14 0.00 -1.10 0.00 0.00 60.65 60.87 1n3g s ILE 12 Cb -0.25 -4.28 -0.03 0.00 -1.06 0.00 0.00 42.46 36.84 1n3g s ILE 12 CO 0.57 -0.57 1.05 0.42 -0.10 0.00 0.00 174.94 176.30 1n3g s THR 13 N 3.28 3.99 0.33 2.92 -4.23 -1.26 -4.79 115.64 115.88 1n3g s THR 13 Ca 0.32 0.86 0.09 0.00 -1.18 0.00 0.00 61.69 61.78 1n3g s THR 13 Cb -0.12 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.59 1n3g s THR 13 CO 0.20 -0.64 1.80 1.55 -0.54 0.00 0.00 174.62 176.98 1n3g h PRO 14 N 0.18 0.65 -0.08 3.99 0.13 -1.98 0.60 132.00 135.49 1n3g h PRO 14 Ca -0.46 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1n3g h PRO 14 Cb 1.21 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1n3g h PRO 14 CO 0.58 0.43 -0.03 0.00 -0.23 0.00 0.00 178.00 178.75 1n3g h ALA 15 N 1.63 0.11 -0.54 -0.56 0.00 -2.00 -1.83 119.26 116.08 1n3g h ALA 15 Ca 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1n3g h ALA 15 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1n3g h ALA 15 CO -0.32 -0.14 0.27 0.82 0.00 0.00 0.00 179.25 179.88 1n3g h ILE 16 N -0.20 1.19 0.00 0.00 2.04 -1.69 -2.29 117.51 116.57 1n3g h ILE 16 Ca 0.02 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1n3g h ILE 16 Cb 0.47 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1n3g h ILE 16 CO 0.01 0.21 -0.24 0.08 0.00 0.00 0.00 178.15 178.21 1n3g h ARG 17 N 0.72 0.00 0.33 2.37 0.11 -0.93 -2.70 114.38 114.28 1n3g h ARG 17 Ca 0.19 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.25 1n3g h ARG 17 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1n3g h ARG 17 CO -0.03 0.24 -0.16 0.37 0.10 0.00 0.00 179.97 180.50 1n3g h GLN 18 N 0.00 -0.43 -0.50 0.08 -0.00 -0.76 -2.10 115.11 111.40 1n3g h GLN 18 Ca -0.00 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.73 1n3g h GLN 18 Cb 0.49 0.10 -0.05 0.00 0.00 0.00 0.00 27.48 28.02 1n3g h GLN 18 CO 0.03 -0.13 0.23 1.25 0.00 0.00 0.00 178.83 180.22 1n3g h HIS 19 N -0.75 0.42 -0.45 3.99 2.76 -1.42 -1.35 115.15 118.35 1n3g h HIS 19 Ca -0.05 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1n3g h HIS 19 Cb 0.51 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1n3g h HIS 19 CO 0.02 0.19 0.30 0.28 -1.30 0.00 0.00 177.93 177.42 1n3g h VAL 20 N 0.45 1.06 -0.28 5.26 2.07 -1.50 -1.67 116.25 121.65 1n3g h VAL 20 Ca 0.23 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1n3g h VAL 20 Cb 0.17 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1n3g h VAL 20 CO -0.18 0.10 -0.00 0.00 0.02 0.00 0.00 177.57 177.50 1n3g h ALA 21 N 1.73 0.38 -0.17 1.67 0.00 -0.54 -0.67 119.26 121.66 1n3g h ALA 21 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n3g h ALA 21 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n3g h ALA 21 CO -0.04 0.12 0.08 0.22 0.00 0.00 0.00 179.25 179.63 1n3g h ASP 22 N 0.29 0.23 0.30 0.00 1.82 -0.87 0.52 116.42 118.70 1n3g h ASP 22 Ca 0.08 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1n3g h ASP 22 Cb 0.43 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1n3g h ASP 22 CO 0.01 0.30 -0.15 0.03 -1.61 0.00 0.00 179.24 177.83 1n3g h ARG 23 N 0.14 -0.40 0.00 0.28 -0.00 -1.30 -2.23 114.38 110.87 1n3g h ARG 23 Ca 0.06 0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.53 1n3g h ARG 23 Cb 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1n3g h ARG 23 CO -0.01 -0.27 -0.18 1.25 0.00 0.00 0.00 179.97 180.77 1n3g h LEU 24 N -0.41 0.00 0.49 3.04 6.46 -1.07 -2.53 115.31 121.28 1n3g h LEU 24 Ca -0.04 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1n3g h LEU 24 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1n3g h LEU 24 CO 0.06 0.18 -0.25 0.00 -0.62 0.00 0.00 178.44 177.81 1n3g h ALA 25 N 1.82 -1.17 -0.22 1.25 0.00 0.66 -1.63 119.26 119.98 1n3g h ALA 25 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n3g h ALA 25 Cb 0.45 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n3g h ALA 25 CO 0.02 -1.12 0.15 0.87 0.00 0.00 0.00 179.25 179.17 1n3g h LYS 26 N -0.67 0.29 -0.71 0.00 1.57 -1.50 -1.38 116.57 114.17 1n3g h LYS 26 Ca -0.07 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1n3g h LYS 26 Cb 0.52 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1n3g h LYS 26 CO 0.10 0.20 0.47 1.25 -0.57 0.00 0.00 179.45 180.90 1n3g h LEU 27 N 0.30 0.72 -2.62 2.94 7.12 -1.26 0.04 115.31 122.55 1n3g h LEU 27 Ca 0.08 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1n3g h LEU 27 Cb -0.03 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 39.93 1n3g h LEU 27 CO -0.02 0.49 0.00 -0.08 -0.13 0.00 0.00 178.44 178.71 1n3g h GLU 28 N 0.84 0.00 -0.90 1.25 4.22 -0.25 -1.19 114.58 118.55 1n3g h GLU 28 Ca 0.29 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.48 1n3g h GLU 28 Cb 0.10 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.20 1n3g h GLU 28 CO -0.08 0.00 0.31 1.63 -2.18 0.00 0.00 179.01 178.69 1n3g n LYS 29 N -2.90 2.56 -2.92 1.92 5.02 0.00 -4.23 118.16 117.61 1n3g n LYS 29 Ca -0.03 -2.21 -0.39 0.00 -2.02 0.00 0.00 58.31 53.67 1n3g n LYS 29 Cb 0.07 -1.92 -0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.30 2.76 -0.86 2.13 7.02 -0.45 -4.78 117.44 122.96 1n3g n TRP 30 Ca 0.35 -2.89 -0.05 0.00 -1.02 0.00 0.00 57.50 53.89 1n3g n TRP 30 Cb 1.21 -1.08 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 1n3g n TRP 30 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1n3g n GLN 31 N 0.63 -1.63 -4.31 -0.99 3.00 -1.26 -4.87 117.38 107.95 1n3g n GLN 31 Ca 0.34 0.40 -0.17 0.00 -0.01 0.00 0.00 57.00 57.57 1n3g n GLN 31 Cb 0.32 -4.20 -0.10 0.00 0.00 0.00 0.00 30.24 26.26 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 -1.13 1.32 -0.06 5.09 2.01 -1.26 -5.07 115.64 116.54 1n3g s THR 32 Ca 0.00 -2.10 0.02 0.00 0.31 0.00 0.00 61.69 59.92 1n3g s THR 32 Cb 0.00 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1n3g s THR 32 CO 0.00 -0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 173.34 1n3g n HIS 33 N -0.33 0.00 -1.59 4.92 1.44 -1.26 -4.42 115.22 113.98 1n3g n HIS 33 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1n3g n HIS 33 Cb 0.62 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.46 1n3g n HIS 33 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1n3g n LEU 34 N -2.50 -2.92 0.00 2.39 7.99 -1.26 -4.55 117.00 116.14 1n3g n LEU 34 Ca -0.11 3.01 0.00 0.00 -0.01 0.00 0.00 56.01 58.90 1n3g n LEU 34 Cb 0.65 -2.90 0.00 0.00 -0.11 0.00 0.00 43.42 41.06 1n3g n LEU 34 CO 0.09 0.25 -0.44 2.30 -1.51 0.00 0.00 177.39 178.08 1n3g n ILE 35 N -0.66 0.00 -3.10 -0.08 -5.35 -1.01 -1.88 119.36 107.29 1n3g n ILE 35 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1n3g n ILE 35 Cb 0.00 -1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 36.59 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 -2.88 5.23 -4.56 7.28 4.13 -1.26 -1.22 115.26 121.98 1n3g n ASN 36 Ca 0.00 -3.51 -0.30 0.00 1.68 0.00 0.00 54.58 52.45 1n3g n ASN 36 Cb 0.44 -0.91 -0.05 0.00 -1.54 0.00 0.00 39.78 37.72 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1n3g s PRO 37 N -3.00 2.80 0.21 3.52 0.04 -1.26 -2.78 135.00 134.52 1n3g s PRO 37 Ca 0.38 -0.45 -0.28 0.00 0.04 0.00 0.00 61.00 60.69 1n3g s PRO 37 Cb 0.14 -5.10 -0.08 0.00 0.04 0.00 0.00 34.50 29.49 1n3g s PRO 37 CO -0.01 -3.09 0.87 -1.58 0.04 0.00 0.00 177.00 173.24 1n3g s HIS 38 N 8.86 3.95 -0.16 0.56 2.46 0.32 -0.33 115.29 130.95 1n3g s HIS 38 Ca 0.64 1.80 -0.02 0.00 0.47 0.00 0.00 55.06 57.95 1n3g s HIS 38 Cb -0.05 -2.89 0.05 0.00 -0.13 0.00 0.00 32.58 29.55 1n3g s HIS 38 CO -0.02 0.47 -0.00 0.42 -2.47 0.00 0.00 174.74 173.14 1n3g s ILE 39 N -1.13 0.71 -0.55 0.89 1.09 0.30 0.11 121.20 122.62 1n3g s ILE 39 Ca 0.39 -0.47 -0.05 0.00 -1.10 0.00 0.00 60.65 59.43 1n3g s ILE 39 Cb -0.25 -1.04 0.14 0.00 -1.06 0.00 0.00 42.46 40.26 1n3g s ILE 39 CO 0.30 -0.01 0.38 -0.63 -0.10 0.00 0.00 174.94 174.88 1n3g s ILE 40 N 1.80 3.80 -0.54 2.92 1.01 -0.23 -0.22 121.20 129.74 1n3g s ILE 40 Ca 0.01 -2.47 -0.16 0.00 0.00 0.00 0.00 60.65 58.03 1n3g s ILE 40 Cb -0.16 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.94 1n3g s ILE 40 CO -0.07 -0.82 0.50 -0.22 0.00 0.00 0.00 174.94 174.33 1n3g s LEU 41 N 0.54 6.18 0.41 2.97 0.20 -1.25 -1.51 118.68 126.23 1n3g s LEU 41 Ca 0.13 -1.80 0.07 0.00 0.69 0.00 0.00 54.13 53.22 1n3g s LEU 41 Cb -0.21 -2.21 -0.05 0.00 -0.43 0.00 0.00 46.19 43.29 1n3g s LEU 41 CO -0.04 -0.85 0.20 -0.44 -0.29 0.00 0.00 176.35 174.93 1n3g s SER 42 N 3.56 4.48 -0.37 3.68 0.01 -0.53 -4.34 113.70 120.19 1n3g s SER 42 Ca 0.03 -1.05 -0.10 0.00 1.31 0.00 0.00 55.95 56.14 1n3g s SER 42 Cb -0.30 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1n3g s SER 42 CO 0.03 -0.55 0.20 -0.75 0.41 0.00 0.00 173.24 172.57 1n3g s LYS 43 N -3.93 2.78 0.08 12.44 2.36 -1.26 -0.19 119.74 132.02 1n3g s LYS 43 Ca 0.42 -1.12 -0.06 0.00 -2.55 0.00 0.00 55.97 52.66 1n3g s LYS 43 Cb 0.03 -3.71 -0.05 0.00 -1.05 0.00 0.00 37.83 33.06 1n3g s LYS 43 CO 0.23 -0.71 0.33 -2.00 1.55 0.00 0.00 175.35 174.75 1n3g s GLU 44 N 1.53 3.62 0.26 4.03 -6.30 0.17 -4.93 118.70 117.07 1n3g s GLU 44 Ca 0.01 -0.07 -0.11 0.00 -2.50 0.00 0.00 54.97 52.31 1n3g s GLU 44 Cb -0.19 -2.97 0.38 0.00 0.00 0.00 0.00 34.13 31.35 1n3g s GLU 44 CO 0.06 0.56 1.56 -1.35 0.02 0.00 0.00 175.26 176.11 1n3g h PRO 45 N 3.39 -0.00 -0.96 4.30 0.10 -1.99 0.60 132.00 137.43 1n3g h PRO 45 Ca -0.48 0.00 -0.65 0.00 0.10 0.00 0.00 66.00 64.98 1n3g h PRO 45 Cb 1.18 0.00 -0.30 0.00 0.10 0.00 0.00 31.00 31.98 1n3g h PRO 45 CO 0.70 -0.00 0.68 0.94 0.10 0.00 0.00 178.00 180.41 1n3g n GLN 46 N -5.57 2.74 0.00 1.05 -0.06 -1.26 -5.02 117.38 109.26 1n3g n GLN 46 Ca 0.14 -3.36 0.00 0.00 -2.00 0.00 0.00 57.00 51.78 1n3g n GLN 46 Cb 0.46 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.37 1n3g n GLN 46 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n3g n GLY 47 N -0.92 2.33 3.82 1.69 0.00 0.20 -4.59 105.19 107.72 1n3g n GLY 47 Ca 0.60 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.70 3.34 -0.35 1.61 0.08 0.28 0.41 117.98 121.65 1n3g s PHE 48 Ca 0.00 1.60 -0.05 0.00 0.12 0.00 0.00 56.93 58.59 1n3g s PHE 48 Cb 0.00 -2.83 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 1n3g s PHE 48 CO 0.00 -0.08 0.11 0.08 -0.10 0.00 0.00 175.22 175.24 1n3g s VAL 49 N -2.13 3.63 -1.03 -0.44 1.01 0.73 -2.56 120.40 119.61 1n3g s VAL 49 Ca 0.61 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1n3g s VAL 49 Cb -0.10 -3.13 0.29 0.00 0.00 0.00 0.00 36.38 33.45 1n3g s VAL 49 CO 0.14 -0.26 1.29 0.00 0.00 0.00 0.00 175.10 176.27 1n3g n ALA 50 N 4.77 4.80 -3.07 5.51 0.00 0.32 -1.46 120.51 131.38 1n3g n ALA 50 Ca -0.11 -4.77 -0.45 0.00 0.00 0.00 0.00 53.44 48.11 1n3g n ALA 50 Cb 0.44 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 1n3g n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n3g s ASP 51 N -1.18 6.68 -0.17 0.00 1.11 -0.57 -0.94 116.67 121.61 1n3g s ASP 51 Ca 0.32 -2.29 -0.08 0.00 0.18 0.00 0.00 52.55 50.68 1n3g s ASP 51 Cb 0.02 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 1n3g s ASP 51 CO 0.04 -0.88 0.09 0.00 1.18 0.00 0.00 175.17 175.60 1n3g s ALA 52 N 1.76 3.57 -0.27 5.23 0.00 -0.53 -1.06 121.76 130.47 1n3g s ALA 52 Ca 0.27 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1n3g s ALA 52 Cb -0.07 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.13 1n3g s ALA 52 CO -0.09 0.27 -0.10 0.95 0.00 0.00 0.00 175.76 176.79 1n3g s THR 53 N 0.06 2.24 -0.09 0.00 -4.23 0.29 -0.34 115.64 113.57 1n3g s THR 53 Ca 0.07 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 1n3g s THR 53 Cb -0.12 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 1n3g s THR 53 CO 0.00 -0.05 0.07 -0.63 -0.54 0.00 0.00 174.62 173.47 1n3g s ILE 54 N 1.11 4.88 -0.68 2.99 1.01 -0.37 0.12 121.20 130.25 1n3g s ILE 54 Ca -0.08 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1n3g s ILE 54 Cb -0.20 -3.10 0.15 0.00 0.01 0.00 0.00 42.46 39.32 1n3g s ILE 54 CO -0.05 0.59 0.68 0.21 0.00 0.00 0.00 174.94 176.38 1n3g s ASN 55 N -1.02 6.42 0.38 3.58 3.04 -1.12 -0.33 114.94 125.89 1n3g s ASN 55 Ca 0.15 -2.04 0.00 0.00 0.04 0.00 0.00 52.86 51.01 1n3g s ASN 55 Cb -0.12 -2.24 -0.03 0.00 -1.54 0.00 0.00 41.25 37.32 1n3g s ASN 55 CO 0.04 -0.83 0.58 0.42 -3.04 0.00 0.00 177.10 174.27 1n3g s THR 56 N 1.43 4.82 0.40 -5.21 -4.23 0.29 -2.39 115.64 110.75 1n3g s THR 56 Ca 0.12 -0.46 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1n3g s THR 56 Cb -0.20 -3.76 0.15 0.00 1.34 0.00 0.00 72.50 70.02 1n3g s THR 56 CO -0.01 -0.51 1.92 1.55 -0.54 0.00 0.00 174.62 177.02 1n3g h PRO 57 N 0.65 0.12 0.00 3.99 0.13 -1.98 -2.19 132.00 132.72 1n3g h PRO 57 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1n3g h PRO 57 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n3g h PRO 57 CO 0.60 0.32 -0.50 -1.71 -0.23 0.00 0.00 178.00 176.48 1n3g n ASN 58 N -4.25 0.54 0.00 1.44 2.85 -1.26 -5.04 115.26 109.54 1n3g n ASN 58 Ca -0.02 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1n3g n ASN 58 Cb 0.29 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n3g n GLY 59 N 1.43 -0.51 3.09 8.20 0.00 -0.82 -5.10 105.19 111.48 1n3g n GLY 59 Ca 0.05 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.00 1.95 -0.68 1.61 1.01 -1.26 0.11 120.40 119.14 1n3g s VAL 60 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1n3g s VAL 60 Cb 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 36.38 34.68 1n3g s VAL 60 CO 0.00 0.48 0.87 -0.76 0.00 0.00 0.00 175.10 175.69 1n3g s LEU 61 N 1.33 4.98 -0.46 3.92 1.43 0.55 -4.87 118.68 125.57 1n3g s LEU 61 Ca 0.04 -1.39 -0.20 0.00 -1.03 0.00 0.00 54.13 51.55 1n3g s LEU 61 Cb -0.13 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1n3g s LEU 61 CO -0.12 -1.22 0.61 0.54 0.23 0.00 0.00 176.35 176.39 1n3g s VAL 62 N 3.16 4.88 -0.45 -1.59 0.11 -1.26 -1.24 120.40 124.00 1n3g s VAL 62 Ca 0.19 -0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 1n3g s VAL 62 Cb -0.18 -4.21 0.03 0.00 -1.53 0.00 0.00 36.38 30.49 1n3g s VAL 62 CO 0.05 -0.64 0.62 0.00 -3.33 0.00 0.00 175.10 171.80 1n3g s ALA 63 N 2.67 3.36 -0.22 1.54 0.00 0.54 -4.74 121.76 124.91 1n3g s ALA 63 Ca 0.19 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1n3g s ALA 63 Cb -0.16 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1n3g s ALA 63 CO 0.16 -1.82 0.17 -1.54 0.00 0.00 0.00 175.76 172.73 1n3g s SER 64 N 2.14 6.20 -0.11 0.00 1.04 -1.25 -1.45 113.70 120.27 1n3g s SER 64 Ca 0.20 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 1n3g s SER 64 Cb -0.16 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 63.89 1n3g s SER 64 CO 0.17 0.11 0.00 -0.83 0.98 0.00 0.00 173.24 173.67 1n3g s GLY 65 N 0.72 0.59 -0.13 7.32 0.00 -0.11 -3.87 107.32 111.84 1n3g s GLY 65 Ca 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1n3g s GLY 65 CO 0.02 1.17 -0.17 1.25 0.00 0.00 0.00 173.10 175.37 1n3g s LYS 66 N 1.90 2.52 -0.30 2.90 2.20 -1.26 0.12 119.74 127.83 1n3g s LYS 66 Ca 0.03 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1n3g s LYS 66 Cb -0.14 -2.13 0.20 0.00 -1.51 0.00 0.00 37.83 34.26 1n3g s LYS 66 CO -0.06 -0.08 1.39 -1.58 -0.36 0.00 0.00 175.35 174.66 1n3g s HIS 67 N 1.02 -0.00 0.14 4.03 2.46 -1.06 -4.79 115.29 117.08 1n3g s HIS 67 Ca -0.05 0.01 -0.15 0.00 0.47 0.00 0.00 55.06 55.35 1n3g s HIS 67 Cb -0.15 0.50 0.01 0.00 -0.13 0.00 0.00 32.58 32.81 1n3g s HIS 67 CO -0.04 -0.00 1.66 0.93 -2.47 0.00 0.00 174.74 174.82 1n3g h GLU 68 N 2.01 0.70 -7.02 2.88 4.39 -1.88 0.81 114.58 116.47 1n3g h GLU 68 Ca -0.07 -0.16 -0.45 0.00 0.34 0.00 0.00 59.36 59.02 1n3g h GLU 68 Cb 1.19 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1n3g h GLU 68 CO 0.21 0.69 0.35 -0.51 -1.16 0.00 0.00 179.01 178.58 1n3g s ASP 69 N -6.02 6.96 -0.01 1.42 1.11 -1.26 -4.48 116.67 114.39 1n3g s ASP 69 Ca -0.13 1.76 -0.23 0.00 0.18 0.00 0.00 52.55 54.12 1n3g s ASP 69 Cb 0.11 -2.55 -0.16 0.00 1.07 0.00 0.00 42.92 41.39 1n3g s ASP 69 CO 0.78 -0.34 1.09 -0.03 1.18 0.00 0.00 175.17 177.85 1n3g h MET 70 N 2.16 -0.38 -0.31 8.23 1.85 -2.00 -2.54 114.93 121.94 1n3g h MET 70 Ca -0.49 0.03 0.06 0.00 -0.61 0.00 0.00 59.70 58.69 1n3g h MET 70 Cb 1.19 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.29 1n3g h MET 70 CO 0.62 -0.04 0.22 1.88 -0.40 0.00 0.00 176.91 179.19 1n3g h TYR 71 N -0.83 0.15 -0.38 1.39 -1.99 -1.97 -1.25 116.97 112.10 1n3g h TYR 71 Ca -0.04 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 1n3g h TYR 71 Cb 0.52 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 1n3g h TYR 71 CO 0.04 0.08 -0.21 1.79 -0.00 0.00 0.00 178.16 179.86 1n3g h THR 72 N 0.15 1.28 -0.23 -2.88 1.35 -1.94 -2.63 112.91 108.02 1n3g h THR 72 Ca 0.14 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1n3g h THR 72 Cb 0.37 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1n3g h THR 72 CO -0.02 0.45 0.08 0.00 -0.25 0.00 0.00 175.52 175.78 1n3g h ALA 73 N 0.79 1.71 0.53 6.62 0.00 -0.80 -2.30 119.26 125.81 1n3g h ALA 73 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1n3g h ALA 73 Cb 0.77 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n3g h ALA 73 CO 0.06 0.23 -0.25 0.82 0.00 0.00 0.00 179.25 180.11 1n3g h ILE 74 N 0.32 0.26 -0.92 0.00 1.08 -1.19 -2.46 117.51 114.60 1n3g h ILE 74 Ca 0.08 -0.45 0.19 0.00 -0.39 0.00 0.00 64.86 64.29 1n3g h ILE 74 Cb 0.08 0.37 -0.11 0.00 -3.07 0.00 0.00 36.82 34.10 1n3g h ILE 74 CO -0.01 0.04 0.49 0.78 -0.69 0.00 0.00 178.15 178.76 1n3g h ASN 75 N -1.06 0.56 -0.84 1.72 2.35 -1.33 0.14 115.58 117.13 1n3g h ASN 75 Ca -0.07 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1n3g h ASN 75 Cb 0.61 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 1n3g h ASN 75 CO 0.12 0.16 0.41 -0.08 -1.65 0.00 0.00 177.43 176.39 1n3g h GLU 76 N 0.59 1.20 0.39 0.81 4.22 -1.41 -1.54 114.58 118.85 1n3g h GLU 76 Ca 0.54 -0.17 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1n3g h GLU 76 Cb 0.90 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1n3g h GLU 76 CO -0.43 0.91 -0.19 1.25 -2.18 0.00 0.00 179.01 178.38 1n3g h LEU 77 N 1.19 -0.44 -1.17 1.64 6.46 -0.25 -0.94 115.31 121.80 1n3g h LEU 77 Ca 0.29 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1n3g h LEU 77 Cb 0.10 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1n3g h LEU 77 CO -0.04 -0.30 0.56 -0.29 -0.62 0.00 0.00 178.44 177.75 1n3g h ILE 78 N -0.54 1.17 0.62 4.05 2.10 -1.27 -1.07 117.51 122.56 1n3g h ILE 78 Ca -0.05 -0.38 -0.03 0.00 1.08 0.00 0.00 64.86 65.48 1n3g h ILE 78 Cb 0.41 -0.02 0.01 0.00 -1.09 0.00 0.00 36.82 36.12 1n3g h ILE 78 CO 0.09 0.20 -0.30 0.78 -1.08 0.00 0.00 178.15 177.84 1n3g h ASN 79 N 1.10 -0.70 -0.43 2.19 2.35 -1.03 -1.80 115.58 117.27 1n3g h ASN 79 Ca 0.33 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.17 1n3g h ASN 79 Cb -0.04 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1n3g h ASN 79 CO -0.09 -0.43 0.30 0.11 -1.65 0.00 0.00 177.43 175.67 1n3g h LYS 80 N -0.94 0.12 0.27 0.81 6.56 -0.99 -2.18 116.57 120.22 1n3g h LYS 80 Ca -0.09 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.48 1n3g h LYS 80 Cb 0.67 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1n3g h LYS 80 CO 0.14 0.08 -0.13 1.25 -2.06 0.00 0.00 179.45 178.73 1n3g h LEU 81 N 0.12 -0.30 -0.88 2.94 7.12 -0.83 -2.11 115.31 121.37 1n3g h LEU 81 Ca 0.20 -0.14 0.15 0.00 0.13 0.00 0.00 57.88 58.22 1n3g h LEU 81 Cb 0.63 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.75 1n3g h LEU 81 CO -0.02 -0.03 0.48 -0.33 -0.13 0.00 0.00 178.44 178.41 1n3g h GLU 82 N -0.58 0.67 -0.54 1.25 5.08 -0.70 0.69 114.58 120.45 1n3g h GLU 82 Ca -0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1n3g h GLU 82 Cb 0.42 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1n3g h GLU 82 CO 0.06 0.44 0.11 -0.09 -1.00 0.00 0.00 179.01 178.53 1n3g h ARG 83 N 0.69 0.83 0.50 2.33 1.12 -1.38 -1.66 114.38 116.80 1n3g h ARG 83 Ca 0.48 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1n3g h ARG 83 Cb 0.66 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1n3g h ARG 83 CO -0.35 0.76 -0.24 1.96 -3.11 0.00 0.00 179.97 179.00 1n3g h GLN 84 N 0.80 -0.64 -0.40 0.20 4.20 -0.19 -2.76 115.11 116.31 1n3g h GLN 84 Ca 0.17 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.98 1n3g h GLN 84 Cb 0.32 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1n3g h GLN 84 CO 0.00 -0.35 0.27 -0.07 -0.67 0.00 0.00 178.83 178.02 1n3g h LEU 85 N -0.88 0.27 0.73 1.46 3.38 -1.25 0.45 115.31 119.48 1n3g h LEU 85 Ca -0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1n3g h LEU 85 Cb 0.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1n3g h LEU 85 CO 0.11 0.18 -0.40 0.78 0.09 0.00 0.00 178.44 179.20 1n3g h ASN 86 N 0.31 -0.99 -0.14 -0.43 2.35 -1.14 0.39 115.58 115.93 1n3g h ASN 86 Ca 0.18 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.83 1n3g h ASN 86 Cb 0.30 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1n3g h ASN 86 CO -0.04 -0.65 -0.39 0.07 -1.65 0.00 0.00 177.43 174.77 1n3g h LYS 87 N -1.05 0.67 -0.60 0.81 5.09 -1.20 -1.09 116.57 119.19 1n3g h LYS 87 Ca -0.10 -0.34 -0.07 0.00 0.09 0.00 0.00 60.65 60.23 1n3g h LYS 87 Cb 0.83 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.14 1n3g h LYS 87 CO 0.13 0.95 0.11 1.25 -2.09 0.00 0.00 179.45 179.80 1n3g h LEU 88 N 0.55 0.95 -0.26 7.07 6.46 -0.83 -2.40 115.31 126.85 1n3g h LEU 88 Ca 0.05 -0.25 -0.21 0.00 -0.12 0.00 0.00 57.88 57.35 1n3g h LEU 88 Cb 0.92 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1n3g h LEU 88 CO 0.08 0.96 -0.81 1.56 -0.62 0.00 0.00 178.44 179.61 1n3g h GLN 89 N 0.90 0.55 -0.02 1.25 1.08 -0.17 -3.13 115.11 115.57 1n3g h GLN 89 Ca 0.19 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 1n3g h GLN 89 Cb 0.40 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1n3g h GLN 89 CO 0.01 1.11 -0.08 1.25 -0.95 0.00 0.00 178.83 180.17 1n3g h HIS 90 N 0.36 0.03 0.62 2.96 -0.00 -1.06 -3.05 115.15 115.00 1n3g h HIS 90 Ca -0.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 1n3g h HIS 90 Cb 1.41 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.81 1n3g h HIS 90 CO 0.06 0.11 -0.43 0.87 -0.00 0.00 0.00 177.93 178.54 1n3g h LYS 91 N 0.03 -0.96 0.00 5.26 1.57 -1.37 -3.49 116.57 117.60 1n3g h LYS 91 Ca 0.01 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1n3g h LYS 91 Cb 0.16 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1n3g h LYS 91 CO 0.01 -0.64 0.00 0.41 -0.57 0.00 0.00 179.45 178.66 1n3g n GLY 92 N -1.53 0.50 2.71 3.86 0.00 -1.15 -4.97 105.19 104.60 1n3g n GLY 92 Ca -0.12 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 1n3g n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1n3g n GLU 93 N 0.00 0.44 -3.95 1.61 -0.00 -1.26 -4.90 120.64 112.58 1n3g n GLU 93 Ca 0.00 -1.24 -0.31 0.00 -0.00 0.00 0.00 57.16 55.61 1n3g n GLU 93 Cb 0.00 -0.83 -0.15 0.00 -0.00 0.00 0.00 31.44 30.46 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n3g s ALA 94 N 0.48 2.22 0.01 -1.84 0.00 -1.26 -4.87 121.76 116.50 1n3g s ALA 94 Ca 0.29 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1n3g s ALA 94 Cb 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1n3g s ALA 94 CO -0.16 -1.39 0.00 -2.13 0.00 0.00 0.00 175.76 172.09 1n3g n ARG 95 N 4.56 0.00 -2.03 0.00 0.00 -1.26 -5.14 116.66 112.79 1n3g n ARG 95 Ca -0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.41 1n3g n ARG 95 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.91 1n3g n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1n3g s ARG 96 N -1.21 3.31 0.65 -0.14 3.52 -1.26 -5.02 118.95 118.79 1n3g s ARG 96 Ca 0.00 1.94 -0.07 0.00 -0.13 0.00 0.00 55.73 57.47 1n3g s ARG 96 Cb 0.00 -2.21 0.02 0.00 -1.56 0.00 0.00 34.95 31.21 1n3g s ARG 96 CO 0.00 -0.96 0.97 0.00 -0.81 0.00 0.00 175.30 174.50 1n3g s ALA 97 N -1.48 3.17 -0.08 6.12 0.00 -1.26 -5.01 121.76 123.21 1n3g s ALA 97 Ca 0.71 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1n3g s ALA 97 Cb -0.33 -2.70 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1n3g s ALA 97 CO 0.38 -1.01 0.76 0.00 0.00 0.00 0.00 175.76 175.90 1n3g n ALA 98 N -2.77 0.99 0.05 0.00 0.00 -1.26 -4.96 120.51 112.56 1n3g n ALA 98 Ca 0.06 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.14 1n3g n ALA 98 Cb 0.58 -0.46 0.26 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.37 1.13 0.47 0.00 5.66 -1.26 -4.16 114.28 115.75 1n3g n THR 99 Ca -0.12 -0.83 0.13 0.00 -3.05 0.00 0.00 64.05 60.17 1n3g n THR 99 Cb 0.58 0.16 0.46 0.00 -1.55 0.00 0.00 70.33 69.99 1n3g n THR 99 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1n3g h SER 100 N 3.16 0.00 0.03 1.09 4.64 -1.99 -3.34 113.55 117.14 1n3g h SER 100 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3g h SER 100 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1n3g h SER 100 CO 0.11 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.63 1n3g h VAL 101 N 0.00 0.00 -2.17 0.95 2.07 -2.02 -3.41 116.25 111.66 1n3g h VAL 101 Ca 0.00 -0.26 -0.69 0.00 0.82 0.00 0.00 66.70 66.57 1n3g h VAL 101 Cb 0.55 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.16 1n3g h VAL 101 CO 0.00 0.00 1.07 -0.54 0.02 0.00 0.00 177.57 178.12 1n3g s LYS 102 N -1.41 3.73 -0.07 1.57 -0.14 -1.25 -4.44 119.74 117.72 1n3g s LYS 102 Ca -0.01 -1.91 0.03 0.00 -1.36 0.00 0.00 55.97 52.73 1n3g s LYS 102 Cb 0.00 -5.01 0.09 0.00 -1.68 0.00 0.00 37.83 31.22 1n3g s LYS 102 CO 0.02 -1.83 0.71 -0.40 -0.76 0.00 0.00 175.35 173.08 1n3g n ASP 103 N 6.62 -0.57 -4.58 2.83 5.75 -1.26 -4.98 116.55 120.35 1n3g n ASP 103 Ca 0.29 -1.22 -0.41 0.00 -0.01 0.00 0.00 54.79 53.43 1n3g n ASP 103 Cb 0.48 0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.76 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n3g s ALA 104 N 0.03 2.53 -1.47 2.12 0.00 -1.26 -4.82 121.76 118.88 1n3g s ALA 104 Ca 0.02 0.01 0.30 0.00 0.00 0.00 0.00 51.96 52.29 1n3g s ALA 104 Cb 0.10 -4.14 1.52 0.00 0.00 0.00 0.00 23.12 20.60 1n3g s ALA 104 CO -0.03 -3.20 2.05 0.27 0.00 0.00 0.00 175.76 174.85 1n3g n ASN 105 N 11.68 0.04 -2.87 0.00 6.94 -1.26 -4.04 115.26 125.75 1n3g n ASN 105 Ca 0.24 -0.21 -0.33 0.00 -0.02 0.00 0.00 54.58 54.25 1n3g n ASN 105 Cb 0.49 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.63 1n3g n ASN 105 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1n3g n PHE 106 N -1.25 2.16 0.25 -2.53 1.16 -1.26 -4.62 117.46 111.36 1n3g n PHE 106 Ca 0.15 -2.24 0.10 0.00 -1.87 0.00 0.00 57.45 53.59 1n3g n PHE 106 Cb 0.24 -1.42 0.63 0.00 -1.61 0.00 0.00 39.48 37.32 1n3g n PHE 106 CO 0.00 0.00 0.00 -0.39 -1.87 0.00 0.00 176.76 174.50 1n3g h VAL 107 N 2.14 0.73 0.00 1.97 -1.51 -2.00 -3.46 116.25 114.12 1n3g h VAL 107 Ca 0.50 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1n3g h VAL 107 Cb 0.47 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1n3g h VAL 107 CO 1.13 0.16 0.00 1.21 -1.23 0.00 0.00 177.57 178.84 1n3g n GLU 108 N -3.78 0.00 -2.56 5.19 0.00 -1.26 -5.10 120.64 113.12 1n3g n GLU 108 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.72 1n3g n GLU 108 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.69 1n3g n GLU 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1n3g s GLU 109 N -2.00 3.45 0.36 5.31 -1.05 -1.26 -4.86 118.70 118.65 1n3g s GLU 109 Ca 0.00 0.19 0.26 0.00 -0.15 0.00 0.00 54.97 55.27 1n3g s GLU 109 Cb 0.00 -4.05 1.23 0.00 -0.44 0.00 0.00 34.13 30.88 1n3g s GLU 109 CO 0.00 -1.77 1.79 -0.24 0.95 0.00 0.00 175.26 175.99 1n3g h VAL 110 N 6.15 0.00 -2.34 1.83 3.04 -2.00 -3.29 116.25 119.64 1n3g h VAL 110 Ca -0.26 -0.17 -0.79 0.00 -1.01 0.00 0.00 66.70 64.47 1n3g h VAL 110 Cb 1.06 0.88 -0.24 0.00 -2.01 0.00 0.00 31.29 30.98 1n3g h VAL 110 CO 1.20 0.00 1.24 -0.62 -1.01 0.00 0.00 177.57 178.38 1n3g n GLU 111 N -2.44 4.29 0.00 4.17 -0.58 -1.26 -4.35 120.64 120.47 1n3g n GLU 111 Ca 0.00 -4.21 0.00 0.00 -0.42 0.00 0.00 57.16 52.53 1n3g n GLU 111 Cb 0.16 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.39 1n3g n GLU 111 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1n3g n GLU 112 N 2.02 0.06 0.00 3.49 -0.00 -1.24 -5.28 120.64 119.68 1n3g n GLU 112 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.49 1n3g n GLU 112 Cb 0.33 -0.53 0.03 0.00 -0.00 0.00 0.00 31.44 31.27 1n3g n GLU 112 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28