#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3g h THR 2 N 0.00 0.02 -5.00 2.03 1.03 -1.77 -3.50 112.91 105.72 1n3g h THR 2 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 1n3g h THR 2 Cb 0.00 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1n3g h THR 2 CO 0.00 0.01 -0.76 0.23 -0.01 0.00 0.00 175.52 174.99 1n3g n MET 3 N -2.77 -2.89 -3.54 0.00 2.00 -1.26 -4.97 117.12 103.69 1n3g n MET 3 Ca 0.01 2.41 -0.42 0.00 0.00 0.00 0.00 57.70 59.70 1n3g n MET 3 Cb 0.55 -5.14 -0.10 0.00 0.00 0.00 0.00 33.22 28.53 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 -1.82 5.87 -0.19 7.83 0.01 0.13 -5.00 114.94 121.77 1n3g s ASN 4 Ca 0.08 -1.06 -0.00 0.00 -0.71 0.00 0.00 52.86 51.16 1n3g s ASN 4 Cb -0.02 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.58 1n3g s ASN 4 CO 0.72 -0.45 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.08 1n3g s ILE 5 N 1.58 2.49 -0.35 0.60 1.09 -1.26 0.53 121.20 125.88 1n3g s ILE 5 Ca 0.03 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 1n3g s ILE 5 Cb -0.20 -2.08 0.14 0.00 -1.06 0.00 0.00 42.46 39.26 1n3g s ILE 5 CO 0.07 0.50 0.22 0.42 -0.10 0.00 0.00 174.94 176.06 1n3g s THR 6 N 1.31 0.10 0.54 2.92 -4.23 -0.81 -4.97 115.64 110.51 1n3g s THR 6 Ca 0.04 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1n3g s THR 6 Cb -0.14 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.66 1n3g s THR 6 CO -0.09 -0.96 0.76 -0.44 -0.54 0.00 0.00 174.62 173.35 1n3g s SER 7 N 1.09 5.28 0.00 3.99 0.01 -1.26 -4.36 113.70 118.44 1n3g s SER 7 Ca 0.18 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1n3g s SER 7 Cb -0.22 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1n3g s SER 7 CO 0.01 -1.13 0.00 1.17 0.41 0.00 0.00 173.24 173.69 1n3g n LYS 8 N -2.31 3.08 -0.22 12.44 0.00 -1.26 -4.82 118.16 125.06 1n3g n LYS 8 Ca 0.08 0.00 0.31 0.00 0.00 0.00 0.00 58.31 58.70 1n3g n LYS 8 Cb 0.60 0.00 0.73 0.00 0.00 0.00 0.00 35.03 36.36 1n3g n LYS 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1n3g h GLN 9 N 0.00 0.00 -6.13 1.64 -0.00 -1.96 -3.36 115.11 105.30 1n3g h GLN 9 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 1n3g h GLN 9 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.38 1n3g h GLN 9 CO 0.00 0.00 0.58 1.41 -0.00 0.00 0.00 178.83 180.82 1n3g s MET 10 N -4.95 3.57 0.00 0.06 0.00 -1.26 -5.04 119.30 111.69 1n3g s MET 10 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 55.69 55.85 1n3g s MET 10 Cb 0.22 -3.91 0.00 0.00 0.00 0.00 0.00 34.83 31.14 1n3g s MET 10 CO 0.78 -1.18 0.00 -0.85 0.00 0.00 0.00 175.02 173.77 1n3g n GLU 11 N 7.10 -0.25 -3.47 4.11 0.28 -1.26 -4.73 120.64 122.41 1n3g n GLU 11 Ca 0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.63 1n3g n GLU 11 Cb 0.48 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.25 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 -0.59 5.24 0.61 3.84 -1.09 -1.26 -5.00 121.20 122.95 1n3g s ILE 12 Ca 0.00 -0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 57.66 1n3g s ILE 12 Cb 0.00 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1n3g s ILE 12 CO 0.00 -0.28 1.04 0.42 -1.23 0.00 0.00 174.94 174.89 1n3g s THR 13 N 1.68 4.15 0.26 2.92 -4.23 -1.26 -4.78 115.64 114.38 1n3g s THR 13 Ca 0.05 0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 61.43 1n3g s THR 13 Cb -0.19 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 70.37 1n3g s THR 13 CO 0.10 -0.72 1.74 1.55 -0.54 0.00 0.00 174.62 176.74 1n3g h PRO 14 N 0.14 0.49 -0.49 3.99 0.13 -1.98 0.12 132.00 134.40 1n3g h PRO 14 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1n3g h PRO 14 Cb 1.21 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1n3g h PRO 14 CO 0.59 0.32 0.22 0.00 -0.23 0.00 0.00 178.00 178.90 1n3g h ALA 15 N 1.58 0.64 -0.05 -0.56 0.00 -2.00 -2.00 119.26 116.88 1n3g h ALA 15 Ca 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1n3g h ALA 15 Cb 0.71 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n3g h ALA 15 CO -0.41 0.22 -0.03 0.82 0.00 0.00 0.00 179.25 179.85 1n3g h ILE 16 N 0.65 1.34 -0.19 0.00 2.04 -1.65 -2.44 117.51 117.26 1n3g h ILE 16 Ca 0.17 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1n3g h ILE 16 Cb 0.15 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1n3g h ILE 16 CO -0.02 0.29 0.19 0.08 0.00 0.00 0.00 178.15 178.69 1n3g h ARG 17 N -0.30 0.00 0.01 2.37 0.11 -0.77 -1.30 114.38 114.50 1n3g h ARG 17 Ca 0.01 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.02 1n3g h ARG 17 Cb 0.48 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.56 1n3g h ARG 17 CO 0.01 0.00 -0.30 0.37 0.10 0.00 0.00 179.97 180.15 1n3g h GLN 18 N 0.00 0.18 0.40 0.08 -0.00 -1.19 -2.29 115.11 112.28 1n3g h GLN 18 Ca 0.09 -0.21 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 1n3g h GLN 18 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.01 1n3g h GLN 18 CO -0.00 0.97 -0.19 0.45 0.00 0.00 0.00 178.83 180.06 1n3g h HIS 19 N -0.51 -0.49 -0.86 3.99 3.86 -0.86 -2.21 115.15 118.07 1n3g h HIS 19 Ca -0.04 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1n3g h HIS 19 Cb 1.08 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.66 1n3g h HIS 19 CO 0.19 -0.30 0.55 0.28 0.86 0.00 0.00 177.93 179.51 1n3g h VAL 20 N -0.54 1.13 -0.75 2.45 2.07 -1.41 -1.37 116.25 117.83 1n3g h VAL 20 Ca -0.05 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1n3g h VAL 20 Cb 0.41 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1n3g h VAL 20 CO 0.09 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.37 1n3g h ALA 21 N 1.36 1.87 -0.02 1.67 0.00 -1.17 0.41 119.26 123.39 1n3g h ALA 21 Ca 0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1n3g h ALA 21 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n3g h ALA 21 CO -0.12 -0.04 -0.27 -0.44 0.00 0.00 0.00 179.25 178.38 1n3g h ASP 22 N 0.61 0.27 -0.36 0.00 3.32 -0.66 -2.54 116.42 117.07 1n3g h ASP 22 Ca 0.35 -0.73 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1n3g h ASP 22 Cb 0.54 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1n3g h ASP 22 CO -0.13 0.96 0.15 0.03 -1.72 0.00 0.00 179.24 178.54 1n3g h ARG 23 N -0.40 0.53 -0.54 3.56 -0.00 -0.70 -1.05 114.38 115.78 1n3g h ARG 23 Ca -0.03 -0.09 0.01 0.00 -0.50 0.00 0.00 59.98 59.37 1n3g h ARG 23 Cb 0.99 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.84 1n3g h ARG 23 CO 0.05 0.51 0.35 1.25 0.00 0.00 0.00 179.97 182.13 1n3g h LEU 24 N 0.43 0.60 -0.80 3.04 7.12 -0.29 -1.29 115.31 124.12 1n3g h LEU 24 Ca 0.12 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 1n3g h LEU 24 Cb 0.17 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.12 1n3g h LEU 24 CO -0.01 0.43 0.32 0.00 -0.13 0.00 0.00 178.44 179.05 1n3g h ALA 25 N 1.21 1.04 -0.46 1.25 0.00 -1.26 -2.43 119.26 118.61 1n3g h ALA 25 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n3g h ALA 25 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1n3g h ALA 25 CO -0.06 0.66 0.08 0.87 0.00 0.00 0.00 179.25 180.80 1n3g h LYS 26 N 1.16 0.71 0.00 0.00 1.57 -0.71 -1.84 116.57 117.46 1n3g h LYS 26 Ca 0.27 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1n3g h LYS 26 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1n3g h LYS 26 CO -0.02 0.67 -0.18 1.25 -0.57 0.00 0.00 179.45 180.59 1n3g h LEU 27 N 0.68 0.00 -2.31 2.94 7.12 -0.77 -2.26 115.31 120.71 1n3g h LEU 27 Ca 0.15 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.18 1n3g h LEU 27 Cb 0.31 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1n3g h LEU 27 CO 0.00 0.18 0.07 -0.08 -0.13 0.00 0.00 178.44 178.49 1n3g h GLU 28 N 0.00 0.00 -0.45 1.25 4.57 -1.03 0.33 114.58 119.25 1n3g h GLU 28 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1n3g h GLU 28 Cb 0.47 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.97 1n3g h GLU 28 CO 0.02 0.00 0.08 0.36 -1.18 0.00 0.00 179.01 178.30 1n3g n LYS 29 N -3.96 2.67 -1.14 1.92 2.85 -0.85 -4.53 118.16 115.12 1n3g n LYS 29 Ca -0.01 -3.03 -0.17 0.00 -1.05 0.00 0.00 58.31 54.05 1n3g n LYS 29 Cb 0.17 -1.94 0.23 0.00 -0.65 0.00 0.00 35.03 32.84 1n3g n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1n3g n TRP 30 N -0.70 2.80 -0.90 5.58 7.02 0.11 -4.89 117.44 126.46 1n3g n TRP 30 Ca 0.33 -1.59 -0.05 0.00 -1.02 0.00 0.00 57.50 55.16 1n3g n TRP 30 Cb 1.11 -0.84 -0.02 0.00 -2.42 0.00 0.00 31.31 29.14 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 -0.76 -1.51 0.00 -0.99 6.02 -1.26 -4.79 117.38 114.09 1n3g n GLN 31 Ca 0.52 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1n3g n GLN 31 Cb 1.56 -4.19 0.00 0.00 1.02 0.00 0.00 30.24 28.63 1n3g n GLN 31 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1n3g n THR 32 N -1.25 0.00 0.00 5.09 -1.04 -1.26 -5.02 114.28 110.80 1n3g n THR 32 Ca -0.05 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1n3g n THR 32 Cb 0.24 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1n3g n THR 32 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1n3g n HIS 33 N -1.04 0.00 0.00 -1.42 8.25 -1.26 -4.37 115.22 115.38 1n3g n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n3g n HIS 33 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1n3g n HIS 33 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1n3g n LEU 34 N 0.00 0.00 -0.08 2.41 -0.00 -1.26 -4.78 117.00 113.29 1n3g n LEU 34 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1n3g n LEU 34 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1n3g n LEU 34 CO 0.00 0.00 -0.50 -0.38 -0.00 0.00 0.00 177.39 176.51 1n3g n ILE 35 N 0.00 1.45 -3.53 1.47 2.08 0.04 -1.18 119.36 119.70 1n3g n ILE 35 Ca 0.00 0.15 -0.37 0.00 0.56 0.00 0.00 62.75 63.09 1n3g n ILE 35 Cb 0.00 -2.33 -0.05 0.00 -0.75 0.00 0.00 39.64 36.51 1n3g n ILE 35 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1n3g n ASN 36 N -4.54 4.54 -4.55 4.38 3.02 -1.25 -1.70 115.26 115.15 1n3g n ASN 36 Ca -0.13 -3.17 -0.39 0.00 -0.03 0.00 0.00 54.58 50.86 1n3g n ASN 36 Cb 0.39 -1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 38.45 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 -1.58 2.86 -0.05 3.52 0.04 -1.26 -2.67 135.00 135.85 1n3g s PRO 37 Ca 0.29 0.24 -0.23 0.00 0.04 0.00 0.00 61.00 61.34 1n3g s PRO 37 Cb -0.05 -4.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1n3g s PRO 37 CO -0.09 -2.51 0.68 -1.58 0.04 0.00 0.00 177.00 173.54 1n3g s HIS 38 N 7.73 3.60 -0.27 0.56 2.46 0.23 -0.69 115.29 128.91 1n3g s HIS 38 Ca 0.54 1.24 -0.01 0.00 0.47 0.00 0.00 55.06 57.30 1n3g s HIS 38 Cb -0.11 -2.76 0.08 0.00 -0.13 0.00 0.00 32.58 29.67 1n3g s HIS 38 CO 0.18 0.14 0.06 0.42 -2.47 0.00 0.00 174.74 173.07 1n3g s ILE 39 N 0.59 0.86 -0.60 0.89 1.09 0.19 0.98 121.20 125.19 1n3g s ILE 39 Ca 0.36 -1.14 -0.03 0.00 -1.10 0.00 0.00 60.65 58.74 1n3g s ILE 39 Cb -0.18 -1.51 0.16 0.00 -1.06 0.00 0.00 42.46 39.87 1n3g s ILE 39 CO 0.18 -0.47 0.41 -0.63 -0.10 0.00 0.00 174.94 174.33 1n3g s ILE 40 N 1.66 3.65 -0.36 2.92 1.09 -0.72 -1.92 121.20 127.51 1n3g s ILE 40 Ca 0.05 -2.88 -0.07 0.00 -1.10 0.00 0.00 60.65 56.65 1n3g s ILE 40 Cb -0.17 -3.39 0.06 0.00 -1.06 0.00 0.00 42.46 37.89 1n3g s ILE 40 CO -0.18 -0.86 0.15 -0.22 -0.10 0.00 0.00 174.94 173.73 1n3g s LEU 41 N 0.05 4.59 0.32 2.97 0.20 -1.26 0.44 118.68 125.99 1n3g s LEU 41 Ca 0.16 -1.31 0.09 0.00 0.69 0.00 0.00 54.13 53.76 1n3g s LEU 41 Cb -0.21 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 1n3g s LEU 41 CO -0.03 -0.40 0.05 -0.44 -0.29 0.00 0.00 176.35 175.24 1n3g s SER 42 N 1.61 4.43 -0.39 3.68 0.01 -0.71 -4.44 113.70 117.89 1n3g s SER 42 Ca 0.00 -0.82 -0.14 0.00 1.31 0.00 0.00 55.95 56.29 1n3g s SER 42 Cb -0.21 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.36 1n3g s SER 42 CO 0.02 -0.19 0.28 -0.75 0.41 0.00 0.00 173.24 173.02 1n3g s LYS 43 N -3.74 3.08 -0.08 12.44 2.36 -1.26 -0.76 119.74 131.78 1n3g s LYS 43 Ca 0.35 -0.94 0.00 0.00 -2.55 0.00 0.00 55.97 52.83 1n3g s LYS 43 Cb -0.03 -3.93 -0.03 0.00 -1.05 0.00 0.00 37.83 32.79 1n3g s LYS 43 CO 0.20 -0.68 -0.07 -1.21 1.55 0.00 0.00 175.35 175.14 1n3g s GLU 44 N 1.69 2.90 0.17 4.03 8.01 -0.48 -4.90 118.70 130.12 1n3g s GLU 44 Ca 0.05 -0.56 -0.15 0.00 0.01 0.00 0.00 54.97 54.32 1n3g s GLU 44 Cb -0.19 -2.63 0.15 0.00 -4.31 0.00 0.00 34.13 27.15 1n3g s GLU 44 CO 0.10 0.58 1.20 -2.30 0.01 0.00 0.00 175.26 174.85 1n3g n PRO 45 N 2.48 -0.21 -1.26 0.39 -0.01 -1.26 0.02 135.00 135.15 1n3g n PRO 45 Ca -0.18 1.19 -0.27 0.00 -0.01 0.00 0.00 63.50 64.23 1n3g n PRO 45 Cb 0.53 -1.76 0.03 0.00 -0.01 0.00 0.00 33.50 32.29 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 -5.11 2.30 0.00 -0.52 -0.06 -1.26 -4.97 117.38 107.76 1n3g n GLN 46 Ca 0.07 -2.48 0.00 0.00 -2.00 0.00 0.00 57.00 52.59 1n3g n GLN 46 Cb 0.29 -2.00 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 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 -0.06 2.83 3.79 1.69 0.00 0.10 -4.75 105.19 108.79 1n3g n GLY 47 Ca 0.47 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.51 3.72 -0.76 1.61 0.08 0.25 -1.38 117.98 119.00 1n3g s PHE 48 Ca 0.00 1.70 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 1n3g s PHE 48 Cb 0.00 -2.85 0.19 0.00 -0.57 0.00 0.00 43.02 39.79 1n3g s PHE 48 CO 0.00 0.28 0.62 0.08 -0.10 0.00 0.00 175.22 176.10 1n3g s VAL 49 N -1.53 4.22 -0.64 -0.44 1.01 0.06 -2.30 120.40 120.78 1n3g s VAL 49 Ca 0.47 -3.27 -0.21 0.00 0.00 0.00 0.00 61.98 58.97 1n3g s VAL 49 Cb -0.19 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1n3g s VAL 49 CO 0.24 -0.98 0.86 0.00 0.00 0.00 0.00 175.10 175.22 1n3g s ALA 50 N -0.56 3.26 -0.76 5.51 0.00 -0.45 -1.74 121.76 127.03 1n3g s ALA 50 Ca 0.21 -2.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.07 1n3g s ALA 50 Cb -0.14 -3.72 0.19 0.00 0.00 0.00 0.00 23.12 19.45 1n3g s ALA 50 CO -0.07 -2.60 0.62 -0.51 0.00 0.00 0.00 175.76 173.20 1n3g s ASP 51 N 3.65 5.83 -0.08 0.00 1.01 0.17 -1.57 116.67 125.68 1n3g s ASP 51 Ca 0.18 -3.06 -0.16 0.00 0.71 0.00 0.00 52.55 50.21 1n3g s ASP 51 Cb -0.20 -1.96 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 1n3g s ASP 51 CO 0.08 -0.36 0.42 0.00 0.21 0.00 0.00 175.17 175.52 1n3g s ALA 52 N -0.38 3.57 -0.30 5.23 0.00 -0.19 -1.75 121.76 127.95 1n3g s ALA 52 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1n3g s ALA 52 Cb -0.15 -2.52 0.10 0.00 0.00 0.00 0.00 23.12 20.55 1n3g s ALA 52 CO -0.07 0.18 0.10 0.99 0.00 0.00 0.00 175.76 176.97 1n3g s THR 53 N 0.00 0.59 -0.19 0.00 2.01 0.28 0.10 115.64 118.44 1n3g s THR 53 Ca 0.24 -1.18 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 1n3g s THR 53 Cb -0.15 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1n3g s THR 53 CO 0.10 -0.67 0.16 -0.63 -0.69 0.00 0.00 174.62 172.89 1n3g s ILE 54 N 1.76 5.40 -0.60 1.82 1.01 -0.10 0.75 121.20 131.24 1n3g s ILE 54 Ca 0.09 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 1n3g s ILE 54 Cb -0.17 -3.49 0.09 0.00 0.01 0.00 0.00 42.46 38.90 1n3g s ILE 54 CO -0.28 0.45 0.79 0.21 0.00 0.00 0.00 174.94 176.11 1n3g s ASN 55 N 0.25 6.19 0.33 3.58 3.84 -1.09 0.12 114.94 128.15 1n3g s ASN 55 Ca 0.10 -1.20 -0.02 0.00 0.21 0.00 0.00 52.86 51.95 1n3g s ASN 55 Cb -0.11 -2.34 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1n3g s ASN 55 CO -0.00 -1.20 0.57 0.42 -2.79 0.00 0.00 177.10 174.09 1n3g s THR 56 N 3.17 5.06 0.64 -5.21 -4.23 0.39 -0.78 115.64 114.68 1n3g s THR 56 Ca 0.16 -0.17 0.33 0.00 -1.18 0.00 0.00 61.69 60.84 1n3g s THR 56 Cb -0.21 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.19 1n3g s THR 56 CO 0.09 -0.47 2.08 1.55 -0.54 0.00 0.00 174.62 177.33 1n3g h PRO 57 N 1.16 0.00 -0.58 3.99 0.13 -1.87 -0.63 132.00 134.21 1n3g h PRO 57 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.28 1n3g h PRO 57 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1n3g h PRO 57 CO 0.64 0.00 -0.07 0.09 -0.23 0.00 0.00 178.00 178.43 1n3g n ASN 58 N -3.23 3.91 0.00 1.44 4.13 -1.26 -5.06 115.26 115.19 1n3g n ASN 58 Ca -0.01 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.47 1n3g n ASN 58 Cb 0.31 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n3g n GLY 59 N -1.00 0.23 3.09 7.41 0.00 -0.24 -5.03 105.19 109.64 1n3g n GLY 59 Ca 0.42 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.73 -0.55 -0.70 1.61 1.01 -1.26 -0.46 120.40 118.32 1n3g s VAL 60 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 1n3g s VAL 60 Cb 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1n3g s VAL 60 CO 0.00 0.04 1.20 -0.76 0.00 0.00 0.00 175.10 175.57 1n3g s LEU 61 N 2.52 3.47 -0.55 3.92 1.43 0.32 -4.84 118.68 124.95 1n3g s LEU 61 Ca 0.02 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 1n3g s LEU 61 Cb -0.13 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.57 1n3g s LEU 61 CO -0.12 -1.71 0.69 0.54 0.23 0.00 0.00 176.35 175.99 1n3g s VAL 62 N 5.26 4.79 -0.65 -1.59 0.11 -1.26 -0.93 120.40 126.14 1n3g s VAL 62 Ca 0.33 -0.60 -0.20 0.00 -2.93 0.00 0.00 61.98 58.59 1n3g s VAL 62 Cb -0.10 -4.40 0.10 0.00 -1.53 0.00 0.00 36.38 30.45 1n3g s VAL 62 CO 0.15 -0.97 0.81 0.00 -3.33 0.00 0.00 175.10 171.76 1n3g s ALA 63 N 2.82 3.36 -0.34 1.54 0.00 0.29 -4.86 121.76 124.56 1n3g s ALA 63 Ca 0.15 -2.22 -0.11 0.00 0.00 0.00 0.00 51.96 49.78 1n3g s ALA 63 Cb -0.20 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1n3g s ALA 63 CO 0.10 -2.51 0.20 -1.12 0.00 0.00 0.00 175.76 172.43 1n3g s SER 64 N 3.59 5.75 -0.04 0.00 0.01 -1.26 -1.02 113.70 120.73 1n3g s SER 64 Ca 0.16 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 1n3g s SER 64 Cb -0.20 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1n3g s SER 64 CO 0.05 -0.28 0.16 -0.83 0.41 0.00 0.00 173.24 172.75 1n3g s GLY 65 N 1.62 -0.06 0.04 3.44 0.00 -0.61 -4.80 107.32 106.95 1n3g s GLY 65 Ca 0.04 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.04 1n3g s GLY 65 CO 0.07 0.15 -0.10 -1.59 0.00 0.00 0.00 173.10 171.64 1n3g s LYS 66 N -0.47 0.65 -0.28 2.90 0.00 -1.26 -1.34 119.74 119.94 1n3g s LYS 66 Ca -0.06 -0.71 -0.29 0.00 0.00 0.00 0.00 55.97 54.91 1n3g s LYS 66 Cb -0.04 -0.55 0.19 0.00 0.00 0.00 0.00 37.83 37.44 1n3g s LYS 66 CO 0.01 0.12 1.35 -1.58 0.00 0.00 0.00 175.35 175.25 1n3g s HIS 67 N -1.05 -0.05 0.18 1.78 2.46 -0.97 -4.90 115.29 112.73 1n3g s HIS 67 Ca -0.04 0.08 -0.12 0.00 0.47 0.00 0.00 55.06 55.45 1n3g s HIS 67 Cb -0.08 0.49 0.08 0.00 -0.13 0.00 0.00 32.58 32.94 1n3g s HIS 67 CO 0.01 -0.05 1.73 1.49 -2.47 0.00 0.00 174.74 175.46 1n3g h GLU 68 N 2.07 0.91 -6.86 2.88 4.22 -1.88 0.72 114.58 116.64 1n3g h GLU 68 Ca -0.08 -0.16 -0.48 0.00 0.08 0.00 0.00 59.36 58.71 1n3g h GLU 68 Cb 1.18 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1n3g h GLU 68 CO 0.22 0.77 0.39 0.34 -2.18 0.00 0.00 179.01 178.55 1n3g s ASP 69 N -6.11 7.25 0.00 1.04 -1.08 -1.26 -4.55 116.67 111.96 1n3g s ASP 69 Ca -0.13 2.00 -0.12 0.00 -0.52 0.00 0.00 52.55 53.78 1n3g s ASP 69 Cb 0.13 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 38.93 1n3g s ASP 69 CO 0.80 -0.14 0.83 -0.03 0.52 0.00 0.00 175.17 177.15 1n3g h MET 70 N 3.35 -0.43 -0.72 4.34 1.85 -2.00 -2.14 114.93 119.18 1n3g h MET 70 Ca -0.47 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.65 1n3g h MET 70 Cb 1.20 0.10 -0.03 0.00 0.43 0.00 0.00 31.60 33.30 1n3g h MET 70 CO 0.65 -0.28 0.43 1.88 -0.40 0.00 0.00 176.91 179.19 1n3g h TYR 71 N -0.62 0.96 -0.79 1.39 -1.99 -1.97 -2.05 116.97 111.90 1n3g h TYR 71 Ca -0.05 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.75 1n3g h TYR 71 Cb 0.34 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 1n3g h TYR 71 CO 0.07 0.65 0.52 1.15 -0.00 0.00 0.00 178.16 180.55 1n3g h THR 72 N 0.98 1.03 0.14 -2.88 2.02 -1.98 -0.18 112.91 112.04 1n3g h THR 72 Ca 0.26 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1n3g h THR 72 Cb -0.02 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1n3g h THR 72 CO -0.05 0.15 -0.07 0.00 0.37 0.00 0.00 175.52 175.93 1n3g h ALA 73 N 1.58 -0.97 -0.85 6.16 0.00 -0.67 -0.79 119.26 123.72 1n3g h ALA 73 Ca 0.34 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.43 1n3g h ALA 73 Cb 0.26 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.97 1n3g h ALA 73 CO -0.12 -0.96 0.11 -0.84 0.00 0.00 0.00 179.25 177.44 1n3g h ILE 74 N -0.19 0.28 -0.73 0.00 -2.65 -1.34 0.61 117.51 113.48 1n3g h ILE 74 Ca -0.02 -0.05 0.09 0.00 1.03 0.00 0.00 64.86 65.91 1n3g h ILE 74 Cb 0.14 0.13 -0.07 0.00 -2.05 0.00 0.00 36.82 34.97 1n3g h ILE 74 CO 0.03 0.02 0.39 0.78 0.03 0.00 0.00 178.15 179.40 1n3g h ASN 75 N 0.13 0.53 0.49 2.16 2.35 -0.97 0.29 115.58 120.57 1n3g h ASN 75 Ca 0.50 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.28 1n3g h ASN 75 Cb 0.97 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1n3g h ASN 75 CO -0.70 0.31 -0.24 -0.33 -1.65 0.00 0.00 177.43 174.82 1n3g h GLU 76 N 0.67 -0.64 0.00 0.81 5.08 0.17 -2.60 114.58 118.07 1n3g h GLU 76 Ca 0.35 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1n3g h GLU 76 Cb 0.34 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1n3g h GLU 76 CO -0.25 -0.33 0.00 1.37 -1.00 0.00 0.00 179.01 178.80 1n3g h LEU 77 N -0.92 0.00 -0.01 1.33 -0.00 -0.78 -2.10 115.31 112.84 1n3g h LEU 77 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.63 1n3g h LEU 77 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1n3g h LEU 77 CO 0.11 0.00 -0.72 -0.29 -0.00 0.00 0.00 178.44 177.54 1n3g h ILE 78 N 0.00 1.38 -0.17 0.15 -0.00 -0.21 -2.27 117.51 116.40 1n3g h ILE 78 Ca 0.00 -2.11 -0.07 0.00 -0.00 0.00 0.00 64.86 62.68 1n3g h ILE 78 Cb 0.04 2.51 -0.01 0.00 -0.00 0.00 0.00 36.82 39.36 1n3g h ILE 78 CO 0.00 0.63 -0.20 -0.55 -0.00 0.00 0.00 178.15 178.02 1n3g h ASN 79 N 0.05 0.29 -0.20 2.19 7.08 -1.01 -1.12 115.58 122.86 1n3g h ASN 79 Ca -0.09 -0.08 -0.19 0.00 -3.08 0.00 0.00 56.30 52.86 1n3g h ASN 79 Cb 1.41 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.58 1n3g h ASN 79 CO 0.14 0.51 -0.61 0.50 -2.08 0.00 0.00 177.43 175.88 1n3g h LYS 80 N 0.27 0.81 0.15 4.14 1.63 -1.50 -2.55 116.57 119.51 1n3g h LYS 80 Ca 0.05 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1n3g h LYS 80 Cb 0.52 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1n3g h LYS 80 CO 0.03 1.18 -0.07 1.25 -3.45 0.00 0.00 179.45 178.39 1n3g h LEU 81 N 0.60 -0.17 -0.76 5.20 6.46 -1.09 -2.80 115.31 122.76 1n3g h LEU 81 Ca -0.01 -0.25 0.09 0.00 -0.12 0.00 0.00 57.88 57.59 1n3g h LEU 81 Cb 1.22 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.12 1n3g h LEU 81 CO 0.13 0.18 0.41 -0.08 -0.62 0.00 0.00 178.44 178.45 1n3g h GLU 82 N -0.52 0.67 0.38 1.25 4.81 -1.28 0.25 114.58 120.14 1n3g h GLU 82 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1n3g h GLU 82 Cb 0.41 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1n3g h GLU 82 CO 0.03 0.44 -0.32 0.00 -0.73 0.00 0.00 179.01 178.43 1n3g h ARG 83 N 0.69 -0.66 -0.27 1.92 2.47 -1.43 0.56 114.38 117.65 1n3g h ARG 83 Ca 0.37 0.05 0.06 0.00 -1.26 0.00 0.00 59.98 59.20 1n3g h ARG 83 Cb 0.36 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1n3g h ARG 83 CO -0.26 -0.44 0.19 0.37 0.56 0.00 0.00 179.97 180.39 1n3g h GLN 84 N -0.69 0.09 -0.42 0.04 4.15 -1.31 -0.92 115.11 116.05 1n3g h GLN 84 Ca -0.05 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1n3g h GLN 84 Cb 0.58 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1n3g h GLN 84 CO -0.00 0.06 -0.21 1.25 -1.93 0.00 0.00 178.83 177.99 1n3g h LEU 85 N 0.09 0.92 -0.13 -2.39 5.85 0.14 -2.38 115.31 117.41 1n3g h LEU 85 Ca 0.13 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1n3g h LEU 85 Cb 0.39 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1n3g h LEU 85 CO -0.01 1.12 0.02 0.78 -0.34 0.00 0.00 178.44 180.01 1n3g h ASN 86 N 0.72 -0.01 -0.03 1.25 2.35 0.15 -1.76 115.58 118.25 1n3g h ASN 86 Ca 0.09 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1n3g h ASN 86 Cb 0.78 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 1n3g h ASN 86 CO 0.06 0.02 0.02 0.50 -1.65 0.00 0.00 177.43 176.38 1n3g h LYS 87 N 0.07 0.04 -0.21 0.81 1.63 -1.47 0.22 116.57 117.67 1n3g h LYS 87 Ca 0.06 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1n3g h LYS 87 Cb 0.06 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1n3g h LYS 87 CO -0.09 0.04 0.25 1.25 -3.45 0.00 0.00 179.45 177.46 1n3g h LEU 88 N 0.03 0.00 0.00 5.20 6.46 -1.21 -3.14 115.31 122.64 1n3g h LEU 88 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1n3g h LEU 88 Cb 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1n3g h LEU 88 CO -0.00 0.00 -0.12 1.56 -0.62 0.00 0.00 178.44 179.25 1n3g h GLN 89 N 0.00 0.00 -5.67 1.25 4.20 -0.40 -3.45 115.11 111.05 1n3g h GLN 89 Ca 0.10 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.30 1n3g h GLN 89 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1n3g h GLN 89 CO -0.00 0.00 1.60 0.72 -0.67 0.00 0.00 178.83 180.48 1n3g n HIS 90 N -2.92 1.48 0.00 2.96 8.25 0.70 -3.81 115.22 121.88 1n3g n HIS 90 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1n3g n HIS 90 Cb 0.06 -2.63 0.00 0.00 1.12 0.00 0.00 29.99 28.54 1n3g n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1n3g n LYS 91 N 8.86 0.00 -2.96 -0.41 4.81 -1.26 -4.80 118.16 122.40 1n3g n LYS 91 Ca 0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.58 1n3g n LYS 91 Cb 0.46 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.48 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 0.00 5.01 3.73 3.14 0.00 -1.25 -5.07 105.19 110.74 1n3g n GLY 92 Ca 0.00 -2.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.16 1n3g n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n3g s GLU 93 N -3.20 4.52 -0.25 1.61 2.12 -1.26 -5.02 118.70 117.21 1n3g s GLU 93 Ca 0.46 1.14 -0.34 0.00 0.36 0.00 0.00 54.97 56.59 1n3g s GLU 93 Cb 0.31 -3.41 0.16 0.00 0.26 0.00 0.00 34.13 31.45 1n3g s GLU 93 CO -0.12 0.13 1.31 0.00 -0.54 0.00 0.00 175.26 176.03 1n3g s ALA 94 N 0.46 -2.13 -0.07 6.30 0.00 -1.26 -5.16 121.76 119.90 1n3g s ALA 94 Ca 0.43 1.80 0.03 0.00 0.00 0.00 0.00 51.96 54.21 1n3g s ALA 94 Cb -0.20 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1n3g s ALA 94 CO 0.24 -0.46 -0.14 1.03 0.00 0.00 0.00 175.76 176.43 1n3g s ARG 95 N -1.81 2.74 -0.77 0.00 1.81 -1.26 -5.03 118.95 114.63 1n3g s ARG 95 Ca 0.10 -0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 53.17 1n3g s ARG 95 Cb -0.01 -2.45 -0.15 0.00 -0.45 0.00 0.00 34.95 31.89 1n3g s ARG 95 CO -0.04 0.52 2.40 -2.13 -0.68 0.00 0.00 175.30 175.37 1n3g n ARG 96 N 2.62 0.57 -0.46 3.54 0.00 -1.26 -4.68 116.66 116.99 1n3g n ARG 96 Ca -0.17 -0.65 0.08 0.00 -0.00 0.00 0.00 57.85 57.10 1n3g n ARG 96 Cb 0.52 -3.41 0.28 0.00 0.00 0.00 0.00 32.46 29.84 1n3g n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n3g n ALA 97 N 17.18 2.87 -1.49 5.13 0.00 -1.26 -4.98 120.51 137.95 1n3g n ALA 97 Ca 0.48 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 1n3g n ALA 97 Cb 0.42 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 0.40 0.56 -0.00 0.00 0.00 -1.26 -4.76 120.51 115.46 1n3g n ALA 98 Ca 0.21 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1n3g n ALA 98 Cb 0.79 -2.60 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 1n3g n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1n3g h THR 99 N 7.71 0.93 -1.00 0.00 2.02 -2.01 -3.37 112.91 117.19 1n3g h THR 99 Ca -0.15 -2.73 -0.50 0.00 0.77 0.00 0.00 66.41 63.80 1n3g h THR 99 Cb 1.31 2.51 -0.16 0.00 -1.74 0.00 0.00 68.15 70.06 1n3g h THR 99 CO 1.24 0.62 0.51 -1.20 0.37 0.00 0.00 175.52 177.06 1n3g n SER 100 N -3.18 6.52 0.05 4.18 7.64 -1.26 -4.41 113.62 123.17 1n3g n SER 100 Ca -0.17 -3.15 -0.03 0.00 1.01 0.00 0.00 58.87 56.53 1n3g n SER 100 Cb 1.04 -1.26 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 1n3g n SER 100 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1n3g h VAL 101 N 2.05 0.95 -1.14 0.44 -1.51 -1.98 -3.35 116.25 111.72 1n3g h VAL 101 Ca 0.41 -2.54 -0.53 0.00 -1.23 0.00 0.00 66.70 62.81 1n3g h VAL 101 Cb 0.74 2.40 -0.19 0.00 -2.13 0.00 0.00 31.29 32.11 1n3g h VAL 101 CO 0.88 0.54 0.50 1.17 -1.23 0.00 0.00 177.57 179.43 1n3g n LYS 102 N -3.11 2.40 -3.98 5.19 4.81 -1.26 -4.94 118.16 117.27 1n3g n LYS 102 Ca -0.06 -2.46 -0.30 0.00 -0.87 0.00 0.00 58.31 54.62 1n3g n LYS 102 Cb 0.88 -2.12 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 1n3g n LYS 102 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1n3g s ASP 103 N 0.08 6.01 1.15 3.14 -4.77 -1.26 -5.10 116.67 115.92 1n3g s ASP 103 Ca 0.56 0.14 -0.12 0.00 -3.30 0.00 0.00 52.55 49.82 1n3g s ASP 103 Cb 0.38 -1.75 0.27 0.00 -1.09 0.00 0.00 42.92 40.73 1n3g s ASP 103 CO -0.22 0.15 1.04 0.00 0.70 0.00 0.00 175.17 176.84 1n3g s ALA 104 N -1.51 -0.34 -0.81 2.11 0.00 -1.26 -4.88 121.76 115.07 1n3g s ALA 104 Ca 0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1n3g s ALA 104 Cb -0.12 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.81 1n3g s ALA 104 CO 0.26 -3.80 2.57 0.27 0.00 0.00 0.00 175.76 175.05 1n3g n ASN 105 N -4.90 7.12 0.00 0.00 6.94 -1.26 -4.69 115.26 118.47 1n3g n ASN 105 Ca 0.04 -3.23 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 1n3g n ASN 105 Cb 0.54 -1.27 0.00 0.00 -2.36 0.00 0.00 39.78 36.69 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1n3g n PHE 106 N 1.08 0.00 -3.38 -2.53 3.72 -1.26 -4.89 117.46 110.19 1n3g n PHE 106 Ca 0.54 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.49 1n3g n PHE 106 Cb 0.42 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.91 1n3g n PHE 106 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1n3g s VAL 107 N 0.00 5.08 0.00 -4.37 0.11 -1.26 -4.67 120.40 115.29 1n3g s VAL 107 Ca 0.00 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 1n3g s VAL 107 Cb 0.00 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 1n3g s VAL 107 CO 0.00 -0.91 0.00 -0.62 -3.33 0.00 0.00 175.10 170.24 1n3g n GLU 108 N 4.65 0.00 0.00 1.54 -0.58 -1.26 -5.13 120.64 119.86 1n3g n GLU 108 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1n3g n GLU 108 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1n3g n GLU 108 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1n3g n GLU 109 N 0.00 1.95 -1.60 3.49 4.07 -1.26 -4.79 120.64 122.50 1n3g n GLU 109 Ca 0.00 0.00 -0.53 0.00 -0.06 0.00 0.00 57.16 56.57 1n3g n GLU 109 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 1n3g n GLU 109 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1n3g n VAL 110 N -0.16 0.04 -1.27 6.31 3.14 -1.26 -4.84 118.33 120.28 1n3g n VAL 110 Ca 0.00 -0.01 -0.26 0.00 -2.96 0.00 0.00 64.34 61.11 1n3g n VAL 110 Cb 0.00 -0.80 0.02 0.00 -1.06 0.00 0.00 33.84 32.00 1n3g n VAL 110 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1n3g n GLU 111 N 2.78 2.28 0.00 1.45 2.13 -1.26 -4.93 120.64 123.09 1n3g n GLU 111 Ca 0.20 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.61 1n3g n GLU 111 Cb 0.17 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1n3g n GLU 111 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1n3g n GLU 112 N 0.07 0.00 0.00 5.31 4.71 -1.26 -5.18 120.64 124.29 1n3g n GLU 112 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 1n3g n GLU 112 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 1n3g n GLU 112 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61