#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 1.19 -5.41 2.03 2.02 -1.76 -3.49 112.91 107.50 1n3g h THR 2 Ca 0.00 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 1n3g h THR 2 Cb 0.00 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1n3g h THR 2 CO 0.00 0.41 -0.68 0.80 0.37 0.00 0.00 175.52 176.42 1n3g n MET 3 N -3.89 -2.50 -4.03 6.66 0.00 -1.26 -5.00 117.12 107.11 1n3g n MET 3 Ca -0.01 2.15 -0.35 0.00 0.00 0.00 0.00 57.70 59.49 1n3g n MET 3 Cb 0.47 -5.15 -0.09 0.00 0.00 0.00 0.00 33.22 28.46 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 -2.27 5.80 0.04 6.12 0.01 0.21 -5.01 114.94 119.83 1n3g s ASN 4 Ca 0.21 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.62 1n3g s ASN 4 Cb -0.05 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.69 1n3g s ASN 4 CO 0.76 0.28 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.86 1n3g s ILE 5 N -0.27 1.11 -0.46 0.60 1.09 -1.26 0.74 121.20 122.76 1n3g s ILE 5 Ca 0.09 -0.99 0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1n3g s ILE 5 Cb -0.12 -1.01 0.19 0.00 -1.06 0.00 0.00 42.46 40.46 1n3g s ILE 5 CO 0.01 0.01 0.54 0.35 -0.10 0.00 0.00 174.94 175.75 1n3g n THR 6 N 1.91 -0.62 -2.85 2.92 -2.24 0.14 -4.87 114.28 108.67 1n3g n THR 6 Ca -0.18 -2.33 -0.32 0.00 -2.27 0.00 0.00 64.05 58.95 1n3g n THR 6 Cb 0.55 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1n3g n THR 6 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1n3g s SER 7 N 0.26 6.78 0.00 3.42 0.01 -1.26 -4.45 113.70 118.45 1n3g s SER 7 Ca 0.32 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1n3g s SER 7 Cb 0.04 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1n3g s SER 7 CO -0.13 -0.36 0.18 0.29 0.41 0.00 0.00 173.24 173.64 1n3g n LYS 8 N -0.80 0.00 -0.00 12.44 4.01 -1.26 -4.78 118.16 127.76 1n3g n LYS 8 Ca 0.05 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.86 1n3g n LYS 8 Cb 0.54 -0.62 -0.02 0.00 -0.51 0.00 0.00 35.03 34.42 1n3g n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n3g n GLN 9 N -0.36 1.32 -2.79 1.97 0.00 -1.26 -4.93 117.38 111.33 1n3g n GLN 9 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 57.00 56.56 1n3g n GLN 9 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 30.24 29.24 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 -1.98 3.22 0.93 2.61 1.75 -1.26 -5.02 119.30 119.55 1n3g s MET 10 Ca -0.01 -0.87 -0.10 0.00 -1.25 0.00 0.00 55.69 53.46 1n3g s MET 10 Cb 0.02 -4.38 0.15 0.00 2.84 0.00 0.00 34.83 33.46 1n3g s MET 10 CO 0.10 -1.90 1.13 -1.21 -0.65 0.00 0.00 175.02 172.49 1n3g s GLU 11 N 4.25 0.91 -0.60 4.11 8.01 -1.26 -4.75 118.70 129.36 1n3g s GLU 11 Ca 0.27 1.45 -0.26 0.00 0.01 0.00 0.00 54.97 56.45 1n3g s GLU 11 Cb -0.13 -1.72 0.04 0.00 -4.31 0.00 0.00 34.13 28.01 1n3g s GLU 11 CO 0.07 -2.68 1.08 0.42 0.01 0.00 0.00 175.26 174.16 1n3g s ILE 12 N -2.65 4.15 0.68 -1.63 -1.09 -1.26 -5.02 121.20 114.38 1n3g s ILE 12 Ca 0.67 0.43 -0.13 0.00 -2.23 0.00 0.00 60.65 59.38 1n3g s ILE 12 Cb -0.23 -4.68 0.01 0.00 -1.58 0.00 0.00 42.46 35.98 1n3g s ILE 12 CO 0.58 -1.35 1.08 0.42 -1.23 0.00 0.00 174.94 174.44 1n3g s THR 13 N 4.57 3.62 0.45 2.92 -4.23 -1.26 -4.67 115.64 117.04 1n3g s THR 13 Ca 0.34 0.64 0.25 0.00 -1.18 0.00 0.00 61.69 61.74 1n3g s THR 13 Cb -0.11 -3.21 0.45 0.00 1.34 0.00 0.00 72.50 70.97 1n3g s THR 13 CO 0.19 -0.58 1.78 1.55 -0.54 0.00 0.00 174.62 177.02 1n3g h PRO 14 N -0.35 0.24 -0.23 3.99 0.13 -1.99 0.41 132.00 134.21 1n3g h PRO 14 Ca -0.45 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 1n3g h PRO 14 Cb 1.23 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1n3g h PRO 14 CO 0.55 0.16 -0.53 0.00 -0.23 0.00 0.00 178.00 177.95 1n3g h ALA 15 N 1.55 0.64 -0.08 -0.56 0.00 -2.00 -2.59 119.26 116.23 1n3g h ALA 15 Ca 0.59 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1n3g h ALA 15 Cb 1.81 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.52 1n3g h ALA 15 CO -0.21 0.68 -0.43 0.82 0.00 0.00 0.00 179.25 180.12 1n3g h ILE 16 N 0.51 1.40 -0.88 0.00 2.04 -0.64 -2.67 117.51 117.27 1n3g h ILE 16 Ca 0.02 -1.80 0.04 0.00 1.00 0.00 0.00 64.86 64.11 1n3g h ILE 16 Cb 1.09 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 1n3g h ILE 16 CO 0.11 0.53 0.58 0.08 0.00 0.00 0.00 178.15 179.45 1n3g h ARG 17 N -0.02 1.06 -0.21 2.37 0.11 -0.93 -1.18 114.38 115.58 1n3g h ARG 17 Ca -0.03 -0.06 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 1n3g h ARG 17 Cb 1.08 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.92 1n3g h ARG 17 CO 0.09 0.70 -0.05 1.96 0.10 0.00 0.00 179.97 182.77 1n3g h GLN 18 N 1.09 0.41 0.90 0.08 1.08 -1.48 -1.42 115.11 115.77 1n3g h GLN 18 Ca 0.35 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 1n3g h GLN 18 Cb 0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1n3g h GLN 18 CO -0.11 0.65 -0.49 0.45 -0.95 0.00 0.00 178.83 178.38 1n3g h HIS 19 N 0.13 -1.29 -0.67 2.96 3.86 -1.08 -2.27 115.15 116.79 1n3g h HIS 19 Ca 0.05 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 1n3g h HIS 19 Cb 0.50 0.44 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 1n3g h HIS 19 CO 0.05 -0.76 0.45 -0.39 0.86 0.00 0.00 177.93 178.14 1n3g h VAL 20 N -1.28 0.89 0.32 2.45 -1.51 -1.31 -2.11 116.25 113.69 1n3g h VAL 20 Ca -0.12 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1n3g h VAL 20 Cb 1.01 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1n3g h VAL 20 CO 0.17 0.09 -0.19 0.00 -1.23 0.00 0.00 177.57 176.40 1n3g h ALA 21 N 1.66 -0.48 -0.27 5.19 0.00 -0.96 0.39 119.26 124.79 1n3g h ALA 21 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1n3g h ALA 21 Cb 0.58 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1n3g h ALA 21 CO -0.10 -0.78 0.08 0.22 0.00 0.00 0.00 179.25 178.67 1n3g h ASP 22 N -0.49 0.35 0.08 0.00 3.58 -0.90 0.08 116.42 119.11 1n3g h ASP 22 Ca -0.03 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1n3g h ASP 22 Cb 0.40 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1n3g h ASP 22 CO 0.04 0.34 -0.04 0.03 -2.88 0.00 0.00 179.24 176.73 1n3g h ARG 23 N 0.38 -0.10 -0.17 0.28 2.47 -0.96 -2.29 114.38 113.99 1n3g h ARG 23 Ca 0.09 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1n3g h ARG 23 Cb 0.13 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1n3g h ARG 23 CO -0.01 0.43 0.00 1.25 0.56 0.00 0.00 179.97 182.20 1n3g h LEU 24 N -0.72 0.22 -0.20 3.04 7.12 -0.07 -2.38 115.31 122.32 1n3g h LEU 24 Ca -0.01 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 57.89 1n3g h LEU 24 Cb 0.57 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1n3g h LEU 24 CO 0.02 0.26 -0.20 0.00 -0.13 0.00 0.00 178.44 178.39 1n3g h ALA 25 N 1.77 0.29 -0.14 1.25 0.00 -1.00 -2.65 119.26 118.78 1n3g h ALA 25 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1n3g h ALA 25 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1n3g h ALA 25 CO 0.00 0.23 0.08 -0.22 0.00 0.00 0.00 179.25 179.34 1n3g h LYS 26 N 0.16 0.16 0.00 0.00 3.64 -1.05 -1.69 116.57 117.78 1n3g h LYS 26 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1n3g h LYS 26 Cb 0.75 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1n3g h LYS 26 CO 0.05 0.11 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.24 1n3g h LEU 27 N 0.17 0.00 -1.76 5.20 3.38 -1.48 -1.56 115.31 119.26 1n3g h LEU 27 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1n3g h LEU 27 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n3g h LEU 27 CO -0.03 0.03 -0.12 -0.08 0.09 0.00 0.00 178.44 178.33 1n3g h GLU 28 N 0.00 0.00 0.00 1.13 4.57 -0.92 -2.31 114.58 117.04 1n3g h GLU 28 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n3g h GLU 28 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1n3g h GLU 28 CO 0.00 0.12 -0.86 1.17 -1.18 0.00 0.00 179.01 178.26 1n3g n LYS 29 N -3.47 0.02 0.00 1.92 3.00 -0.59 -4.85 118.16 114.19 1n3g n LYS 29 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1n3g n LYS 29 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.80 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 -1.53 -1.47 -0.10 5.64 7.02 -0.87 -4.78 117.44 121.34 1n3g n TRP 30 Ca 0.04 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 1n3g n TRP 30 Cb 0.34 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.27 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 -1.16 1.43 -4.36 -0.99 7.27 -1.26 -4.85 117.38 113.46 1n3g n GLN 31 Ca 0.00 -0.94 -0.21 0.00 0.07 0.00 0.00 57.00 55.92 1n3g n GLN 31 Cb 0.00 -1.37 -0.09 0.00 2.41 0.00 0.00 30.24 31.20 1n3g n GLN 31 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1n3g s THR 32 N -1.18 0.28 0.00 1.69 -1.32 -1.26 -5.07 115.64 108.78 1n3g s THR 32 Ca 0.18 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 1n3g s THR 32 Cb 0.15 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.68 1n3g s THR 32 CO 0.02 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 172.98 1n3g n HIS 33 N -0.67 0.00 0.00 9.09 1.44 -1.26 -4.80 115.22 119.01 1n3g n HIS 33 Ca 0.01 -0.15 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 1n3g n HIS 33 Cb 0.64 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.15 0.00 -0.07 2.39 4.77 -1.26 -4.54 117.00 118.13 1n3g n LEU 34 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1n3g n LEU 34 Cb 0.22 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1n3g n LEU 34 CO 0.00 0.00 -0.97 2.30 -1.33 0.00 0.00 177.39 177.39 1n3g n ILE 35 N 0.00 0.82 -2.96 -0.08 -6.64 -1.04 0.06 119.36 109.52 1n3g n ILE 35 Ca 0.00 -0.31 -0.34 0.00 -1.77 0.00 0.00 62.75 60.33 1n3g n ILE 35 Cb 0.00 -1.00 -0.02 0.00 -1.44 0.00 0.00 39.64 37.18 1n3g n ILE 35 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1n3g n ASN 36 N -2.91 5.49 -4.67 7.28 2.85 -1.26 -2.45 115.26 119.59 1n3g n ASN 36 Ca -0.25 -3.60 -0.43 0.00 -0.11 0.00 0.00 54.58 50.20 1n3g n ASN 36 Cb 0.77 -0.87 -0.02 0.00 1.24 0.00 0.00 39.78 40.89 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1n3g s PRO 37 N -3.42 4.26 -0.10 1.20 0.04 -1.26 -2.99 135.00 132.73 1n3g s PRO 37 Ca 0.41 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1n3g s PRO 37 Cb 0.19 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1n3g s PRO 37 CO -0.07 -0.65 0.05 -1.01 0.04 0.00 0.00 177.00 175.36 1n3g s HIS 38 N 3.09 3.30 -0.16 0.56 3.76 0.24 0.65 115.29 126.73 1n3g s HIS 38 Ca 0.60 0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 55.77 1n3g s HIS 38 Cb -0.26 -1.85 0.05 0.00 1.11 0.00 0.00 32.58 31.63 1n3g s HIS 38 CO 0.21 0.54 0.03 0.42 -0.85 0.00 0.00 174.74 175.08 1n3g s ILE 39 N -0.86 0.47 -0.42 0.60 -1.09 0.23 0.66 121.20 120.78 1n3g s ILE 39 Ca 0.13 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1n3g s ILE 39 Cb -0.12 -0.89 0.11 0.00 -1.58 0.00 0.00 42.46 39.99 1n3g s ILE 39 CO 0.03 -0.09 0.20 -0.63 -1.23 0.00 0.00 174.94 173.22 1n3g s ILE 40 N 1.90 3.12 -0.48 2.92 1.01 0.65 0.25 121.20 130.57 1n3g s ILE 40 Ca 0.01 -2.26 -0.10 0.00 0.00 0.00 0.00 60.65 58.30 1n3g s ILE 40 Cb -0.16 -3.15 0.12 0.00 0.01 0.00 0.00 42.46 39.28 1n3g s ILE 40 CO -0.07 -0.70 0.36 -0.22 0.00 0.00 0.00 174.94 174.31 1n3g s LEU 41 N 0.91 5.72 0.25 2.97 0.20 -1.26 0.47 118.68 127.94 1n3g s LEU 41 Ca 0.10 -1.83 0.09 0.00 0.69 0.00 0.00 54.13 53.18 1n3g s LEU 41 Cb -0.22 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1n3g s LEU 41 CO -0.05 -0.70 0.00 -0.44 -0.29 0.00 0.00 176.35 174.87 1n3g s SER 42 N 2.76 4.62 -0.28 3.68 0.01 0.12 -4.32 113.70 120.29 1n3g s SER 42 Ca 0.05 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.64 1n3g s SER 42 Cb -0.26 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 1n3g s SER 42 CO 0.00 0.02 0.14 -0.75 0.41 0.00 0.00 173.24 173.07 1n3g s LYS 43 N -3.52 3.72 -0.05 12.44 2.36 -1.26 0.82 119.74 134.25 1n3g s LYS 43 Ca 0.30 -0.46 -0.00 0.00 -2.55 0.00 0.00 55.97 53.26 1n3g s LYS 43 Cb -0.07 -3.53 -0.03 0.00 -1.05 0.00 0.00 37.83 33.14 1n3g s LYS 43 CO 0.20 -0.24 -0.01 -1.21 1.55 0.00 0.00 175.35 175.64 1n3g s GLU 44 N 1.68 2.86 0.33 4.03 8.01 0.23 -4.90 118.70 130.94 1n3g s GLU 44 Ca 0.06 -0.51 0.12 0.00 0.01 0.00 0.00 54.97 54.65 1n3g s GLU 44 Cb -0.16 -2.71 1.03 0.00 -4.31 0.00 0.00 34.13 27.98 1n3g s GLU 44 CO 0.08 0.67 1.61 -1.35 0.01 0.00 0.00 175.26 176.28 1n3g h PRO 45 N 4.84 0.13 -0.70 0.39 0.11 -2.00 0.58 132.00 135.34 1n3g h PRO 45 Ca -0.50 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1n3g h PRO 45 Cb 1.18 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 1n3g h PRO 45 CO 0.55 0.08 0.21 0.94 -0.21 0.00 0.00 178.00 179.57 1n3g n GLN 46 N -5.24 4.00 0.00 1.05 -0.06 -1.26 -5.02 117.38 110.84 1n3g n GLN 46 Ca 0.30 -3.12 0.00 0.00 -2.00 0.00 0.00 57.00 52.18 1n3g n GLN 46 Cb 0.98 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 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 0.01 2.67 3.78 1.69 0.00 0.20 -4.59 105.19 108.95 1n3g n GLY 47 Ca 0.38 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.79 3.76 -0.49 1.61 0.40 0.26 0.74 117.98 122.47 1n3g s PHE 48 Ca 0.00 1.68 -0.05 0.00 -0.60 0.00 0.00 56.93 57.96 1n3g s PHE 48 Cb 0.00 -2.83 0.13 0.00 0.51 0.00 0.00 43.02 40.83 1n3g s PHE 48 CO 0.00 0.33 0.31 0.08 0.70 0.00 0.00 175.22 176.64 1n3g s VAL 49 N -1.45 3.72 -0.77 -0.44 1.01 0.24 -2.34 120.40 120.37 1n3g s VAL 49 Ca 0.45 -2.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.08 1n3g s VAL 49 Cb -0.20 -3.48 0.16 0.00 0.00 0.00 0.00 36.38 32.86 1n3g s VAL 49 CO 0.25 -0.77 0.82 0.00 0.00 0.00 0.00 175.10 175.40 1n3g s ALA 50 N 0.92 3.71 -0.70 5.51 0.00 -0.71 -0.71 121.76 129.77 1n3g s ALA 50 Ca 0.10 -2.85 -0.09 0.00 0.00 0.00 0.00 51.96 49.11 1n3g s ALA 50 Cb -0.23 -3.63 0.18 0.00 0.00 0.00 0.00 23.12 19.44 1n3g s ALA 50 CO -0.03 -2.45 0.59 0.34 0.00 0.00 0.00 175.76 174.21 1n3g s ASP 51 N 3.01 6.06 0.06 0.00 2.15 0.18 -1.16 116.67 126.97 1n3g s ASP 51 Ca 0.19 -2.64 0.01 0.00 0.43 0.00 0.00 52.55 50.53 1n3g s ASP 51 Cb -0.14 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 1n3g s ASP 51 CO -0.04 -0.52 0.16 0.00 -0.17 0.00 0.00 175.17 174.60 1n3g s ALA 52 N 0.25 3.84 -0.28 3.66 0.00 -0.19 -0.25 121.76 128.78 1n3g s ALA 52 Ca 0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1n3g s ALA 52 Cb -0.16 -1.69 0.13 0.00 0.00 0.00 0.00 23.12 21.40 1n3g s ALA 52 CO -0.06 0.80 0.29 0.99 0.00 0.00 0.00 175.76 177.78 1n3g s THR 53 N -1.45 -0.40 -0.09 0.00 2.01 0.21 0.15 115.64 116.07 1n3g s THR 53 Ca 0.32 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1n3g s THR 53 Cb -0.13 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1n3g s THR 53 CO 0.25 -0.45 0.66 0.27 -0.69 0.00 0.00 174.62 174.66 1n3g s ILE 54 N 2.36 5.06 -0.95 1.82 -0.00 0.31 0.83 121.20 130.63 1n3g s ILE 54 Ca 0.09 1.35 -0.21 0.00 -0.00 0.00 0.00 60.65 61.88 1n3g s ILE 54 Cb -0.14 -4.00 0.09 0.00 -0.00 0.00 0.00 42.46 38.41 1n3g s ILE 54 CO -0.32 0.25 1.27 0.21 -0.00 0.00 0.00 174.94 176.35 1n3g s ASN 55 N 0.81 6.53 0.57 4.36 2.47 -1.16 -0.53 114.94 127.99 1n3g s ASN 55 Ca 0.35 -1.67 0.01 0.00 0.42 0.00 0.00 52.86 51.97 1n3g s ASN 55 Cb -0.17 -2.48 0.04 0.00 -1.45 0.00 0.00 41.25 37.19 1n3g s ASN 55 CO 0.16 -1.31 0.80 0.42 -3.72 0.00 0.00 177.10 173.45 1n3g s THR 56 N 3.88 2.61 0.25 -5.21 -4.23 -0.30 -2.48 115.64 110.16 1n3g s THR 56 Ca 0.38 -0.65 0.18 0.00 -1.18 0.00 0.00 61.69 60.42 1n3g s THR 56 Cb -0.03 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.99 1n3g s THR 56 CO -0.08 0.00 1.79 1.55 -0.54 0.00 0.00 174.62 177.35 1n3g h PRO 57 N 0.01 0.00 -0.59 3.99 0.13 -1.96 -2.61 132.00 130.97 1n3g h PRO 57 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1n3g h PRO 57 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1n3g h PRO 57 CO 0.51 0.35 0.00 0.09 -0.23 0.00 0.00 178.00 178.73 1n3g n ASN 58 N -3.67 3.26 0.00 1.44 3.02 -1.26 -5.01 115.26 113.04 1n3g n ASN 58 Ca -0.01 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1n3g n ASN 58 Cb 0.46 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n3g n GLY 59 N 0.89 0.44 3.25 7.41 0.00 -0.98 -5.04 105.19 111.17 1n3g n GLY 59 Ca 0.17 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 -0.65 -0.32 1.61 1.01 -1.26 -1.15 120.40 119.64 1n3g s VAL 60 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1n3g s VAL 60 Cb 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1n3g s VAL 60 CO 0.00 0.07 0.95 -0.76 0.00 0.00 0.00 175.10 175.36 1n3g s LEU 61 N 2.61 4.00 -0.41 3.92 2.01 0.31 -4.82 118.68 126.30 1n3g s LEU 61 Ca -0.01 0.86 -0.19 0.00 0.01 0.00 0.00 54.13 54.79 1n3g s LEU 61 Cb -0.12 -3.34 0.02 0.00 0.01 0.00 0.00 46.19 42.76 1n3g s LEU 61 CO -0.13 -0.78 0.57 -0.69 1.01 0.00 0.00 176.35 176.34 1n3g s VAL 62 N 3.37 4.92 -0.60 -1.59 1.01 -1.26 -0.53 120.40 125.72 1n3g s VAL 62 Ca 0.40 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.27 1n3g s VAL 62 Cb -0.13 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1n3g s VAL 62 CO 0.14 -0.47 0.74 0.00 0.00 0.00 0.00 175.10 175.52 1n3g s ALA 63 N 2.59 3.36 -0.44 5.51 0.00 0.12 -4.81 121.76 128.09 1n3g s ALA 63 Ca 0.20 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.89 1n3g s ALA 63 Cb -0.15 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 19.44 1n3g s ALA 63 CO 0.16 -2.40 0.34 -1.12 0.00 0.00 0.00 175.76 172.75 1n3g s SER 64 N 3.56 6.11 -0.30 0.00 0.01 -1.26 -1.02 113.70 120.79 1n3g s SER 64 Ca 0.14 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.28 1n3g s SER 64 Cb -0.22 -2.16 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1n3g s SER 64 CO 0.07 -0.54 0.08 -0.83 0.41 0.00 0.00 173.24 172.43 1n3g s GLY 65 N 2.11 1.16 -0.08 3.44 0.00 -0.31 -4.60 107.32 109.04 1n3g s GLY 65 Ca 0.04 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 43.08 1n3g s GLY 65 CO 0.08 1.48 -0.05 -1.59 0.00 0.00 0.00 173.10 173.02 1n3g s LYS 66 N 1.54 2.91 -0.21 2.90 0.00 -1.26 -1.74 119.74 123.87 1n3g s LYS 66 Ca 0.08 -0.51 -0.30 0.00 0.00 0.00 0.00 55.97 55.24 1n3g s LYS 66 Cb -0.18 -2.68 0.16 0.00 0.00 0.00 0.00 37.83 35.13 1n3g s LYS 66 CO -0.21 0.63 1.18 -1.58 0.00 0.00 0.00 175.35 175.37 1n3g s HIS 67 N -0.71 -0.19 0.56 1.78 2.46 -0.99 -4.83 115.29 113.37 1n3g s HIS 67 Ca 0.11 0.29 0.24 0.00 0.47 0.00 0.00 55.06 56.17 1n3g s HIS 67 Cb -0.11 0.48 1.53 0.00 -0.13 0.00 0.00 32.58 34.34 1n3g s HIS 67 CO 0.02 -0.19 2.14 0.93 -2.47 0.00 0.00 174.74 175.16 1n3g h GLU 68 N 2.24 0.00 -5.75 2.88 5.08 -1.88 0.75 114.58 117.90 1n3g h GLU 68 Ca -0.13 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.57 1n3g h GLU 68 Cb 1.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1n3g h GLU 68 CO 0.26 0.00 -0.52 -0.51 -1.00 0.00 0.00 179.01 177.24 1n3g s ASP 69 N -6.38 6.09 0.04 1.42 1.01 -1.26 -4.55 116.67 113.03 1n3g s ASP 69 Ca -0.05 0.36 -0.19 0.00 0.71 0.00 0.00 52.55 53.39 1n3g s ASP 69 Cb 0.16 -1.90 -0.10 0.00 1.01 0.00 0.00 42.92 42.09 1n3g s ASP 69 CO 0.62 0.38 1.29 -0.03 0.21 0.00 0.00 175.17 177.63 1n3g h MET 70 N 4.84 -0.60 -0.51 8.23 1.85 -1.99 -1.72 114.93 125.04 1n3g h MET 70 Ca -0.53 0.04 0.10 0.00 -0.61 0.00 0.00 59.70 58.70 1n3g h MET 70 Cb 1.21 0.14 -0.09 0.00 0.43 0.00 0.00 31.60 33.29 1n3g h MET 70 CO 0.59 -0.40 -0.02 1.88 -0.40 0.00 0.00 176.91 178.55 1n3g h TYR 71 N -0.62 -0.08 -0.41 1.39 0.05 -1.96 0.29 116.97 115.63 1n3g h TYR 71 Ca -0.05 0.04 0.12 0.00 0.05 0.00 0.00 58.73 58.88 1n3g h TYR 71 Cb 0.50 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1n3g h TYR 71 CO -0.00 -0.14 0.34 1.79 -1.05 0.00 0.00 178.16 179.09 1n3g h THR 72 N 0.09 0.64 0.11 -2.88 1.35 -1.93 0.38 112.91 110.67 1n3g h THR 72 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.11 1n3g h THR 72 Cb 0.39 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1n3g h THR 72 CO -0.45 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 174.77 1n3g h ALA 73 N 1.72 -0.15 0.00 6.62 0.00 0.54 -2.04 119.26 125.94 1n3g h ALA 73 Ca 0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1n3g h ALA 73 Cb 0.87 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1n3g h ALA 73 CO -0.00 -0.37 -0.41 -0.84 0.00 0.00 0.00 179.25 177.62 1n3g h ILE 74 N -0.57 0.98 0.20 0.00 -2.65 -0.90 -2.03 117.51 112.54 1n3g h ILE 74 Ca -0.02 -1.61 -0.01 0.00 1.03 0.00 0.00 64.86 64.26 1n3g h ILE 74 Cb 0.46 1.96 0.00 0.00 -2.05 0.00 0.00 36.82 37.18 1n3g h ILE 74 CO 0.03 0.40 -0.10 0.78 0.03 0.00 0.00 178.15 179.29 1n3g h ASN 75 N 0.00 -0.23 -0.22 2.16 -0.26 -0.25 -2.62 115.58 114.16 1n3g h ASN 75 Ca -0.00 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.81 1n3g h ASN 75 Cb 0.92 0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 1n3g h ASN 75 CO 0.05 -0.13 0.18 -0.33 -1.06 0.00 0.00 177.43 176.14 1n3g h GLU 76 N -0.35 0.00 0.29 0.81 3.07 -1.46 -2.68 114.58 114.26 1n3g h GLU 76 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1n3g h GLU 76 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1n3g h GLU 76 CO 0.05 0.00 -0.22 1.25 -1.40 0.00 0.00 179.01 178.68 1n3g h LEU 77 N 0.00 -0.59 -1.68 1.33 6.46 -1.29 -2.56 115.31 116.98 1n3g h LEU 77 Ca 0.10 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 1n3g h LEU 77 Cb 0.47 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1n3g h LEU 77 CO -0.00 -0.32 0.38 -0.29 -0.62 0.00 0.00 178.44 177.59 1n3g h ILE 78 N -0.49 0.90 0.00 4.05 6.09 -1.24 -1.47 117.51 125.35 1n3g h ILE 78 Ca -0.04 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1n3g h ILE 78 Cb 0.41 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.20 1n3g h ILE 78 CO 0.01 0.07 0.00 0.59 -3.07 0.00 0.00 178.15 175.75 1n3g n ASN 79 N -4.47 0.00 0.11 2.19 3.02 -1.03 -0.41 115.26 114.68 1n3g n ASN 79 Ca 0.09 0.94 0.14 0.00 -0.03 0.00 0.00 54.58 55.72 1n3g n ASN 79 Cb 0.36 -0.44 0.65 0.00 -0.61 0.00 0.00 39.78 39.73 1n3g n ASN 79 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1n3g h LYS 80 N 0.00 0.04 0.19 3.52 1.79 -1.38 -2.05 116.57 118.68 1n3g h LYS 80 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1n3g h LYS 80 Cb 0.00 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1n3g h LYS 80 CO 0.00 0.03 -0.10 1.25 -1.08 0.00 0.00 179.45 179.54 1n3g h LEU 81 N 0.04 -0.25 -0.22 2.94 6.46 -0.80 -2.01 115.31 121.46 1n3g h LEU 81 Ca 0.14 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1n3g h LEU 81 Cb 0.50 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 1n3g h LEU 81 CO -0.01 -0.17 0.07 -0.33 -0.62 0.00 0.00 178.44 177.38 1n3g h GLU 82 N -0.28 0.16 -0.23 1.25 5.08 -0.01 0.13 114.58 120.69 1n3g h GLU 82 Ca -0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1n3g h GLU 82 Cb 0.22 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1n3g h GLU 82 CO 0.03 0.11 -0.24 -0.09 -1.00 0.00 0.00 179.01 177.82 1n3g h ARG 83 N 0.17 -0.24 -0.70 2.33 2.43 -1.36 0.23 114.38 117.25 1n3g h ARG 83 Ca 0.10 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1n3g h ARG 83 Cb 0.07 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1n3g h ARG 83 CO -0.11 -0.16 0.28 0.37 -1.51 0.00 0.00 179.97 178.84 1n3g h GLN 84 N -0.25 1.03 0.43 0.20 4.15 -1.13 -2.52 115.11 117.03 1n3g h GLN 84 Ca 0.13 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1n3g h GLN 84 Cb 0.45 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1n3g h GLN 84 CO -0.37 0.83 -0.29 1.25 -1.93 0.00 0.00 178.83 178.32 1n3g h LEU 85 N 1.00 -0.74 -1.25 -2.39 5.85 0.63 -2.48 115.31 115.93 1n3g h LEU 85 Ca 0.23 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.15 1n3g h LEU 85 Cb 0.19 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1n3g h LEU 85 CO -0.02 -0.45 0.58 0.78 -0.34 0.00 0.00 178.44 178.99 1n3g h ASN 86 N -0.70 0.69 0.31 1.25 2.35 -0.47 0.30 115.58 119.30 1n3g h ASN 86 Ca -0.05 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1n3g h ASN 86 Cb 0.59 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1n3g h ASN 86 CO 0.03 0.35 -0.23 0.50 -1.65 0.00 0.00 177.43 176.43 1n3g h LYS 87 N 0.73 -0.49 0.00 0.81 1.63 -1.01 -0.89 116.57 117.35 1n3g h LYS 87 Ca 0.46 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1n3g h LYS 87 Cb 0.70 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1n3g h LYS 87 CO -0.22 -0.33 0.00 1.47 -3.45 0.00 0.00 179.45 176.92 1n3g n LEU 88 N -3.70 0.00 -0.00 5.20 -0.00 -1.06 -2.61 117.00 114.83 1n3g n LEU 88 Ca -0.06 0.28 -0.08 0.00 -0.00 0.00 0.00 56.01 56.15 1n3g n LEU 88 Cb 0.22 -0.28 -0.13 0.00 -0.00 0.00 0.00 43.42 43.23 1n3g n LEU 88 CO 0.14 -0.11 -0.37 1.56 -0.00 0.00 0.00 177.39 178.61 1n3g h GLN 89 N 0.00 0.00 -6.08 1.47 1.08 -0.51 -3.46 115.11 107.61 1n3g h GLN 89 Ca 0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 1n3g h GLN 89 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1n3g h GLN 89 CO 0.00 0.59 1.37 1.58 -0.95 0.00 0.00 178.83 181.43 1n3g n HIS 90 N -3.11 2.01 -2.13 2.96 -0.00 -0.38 -3.77 115.22 110.80 1n3g n HIS 90 Ca -0.13 -0.04 -0.01 0.00 0.46 0.00 0.00 57.72 58.01 1n3g n HIS 90 Cb 1.02 -2.68 -0.00 0.00 -0.12 0.00 0.00 29.99 28.21 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 8.09 -1.97 -2.07 1.57 4.81 -1.26 -5.06 118.16 122.27 1n3g n LYS 91 Ca 0.30 1.78 -0.03 0.00 -0.87 0.00 0.00 58.31 59.50 1n3g n LYS 91 Cb 0.36 -3.31 -0.01 0.00 0.02 0.00 0.00 35.03 32.10 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 0.46 3.10 0.00 3.14 0.00 -1.25 -5.11 105.19 105.54 1n3g n GLY 92 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.11 0.00 -1.59 1.61 0.28 -1.26 -5.17 120.64 114.41 1n3g n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1n3g n GLU 93 Cb 0.11 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.98 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n3g n ALA 94 N -3.00 -1.98 -3.51 -1.84 0.00 -1.26 -4.91 120.51 104.02 1n3g n ALA 94 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 1n3g n ALA 94 Cb 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 1n3g n ALA 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3g s ARG 95 N -3.52 2.42 -0.00 0.00 3.00 -1.26 -5.09 118.95 114.49 1n3g s ARG 95 Ca 0.00 -1.36 -0.17 0.00 -1.00 0.00 0.00 55.73 53.20 1n3g s ARG 95 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 34.95 31.49 1n3g s ARG 95 CO 0.00 -0.75 0.48 1.03 0.00 0.00 0.00 175.30 176.06 1n3g s ARG 96 N 1.29 4.10 -0.31 5.12 3.00 -1.26 -5.04 118.95 125.85 1n3g s ARG 96 Ca -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 55.73 56.23 1n3g s ARG 96 Cb -0.21 -3.27 0.19 0.00 0.00 0.00 0.00 34.95 31.66 1n3g s ARG 96 CO -0.00 0.56 0.84 0.00 0.00 0.00 0.00 175.30 176.70 1n3g s ALA 97 N -0.73 -3.34 0.37 2.13 0.00 -1.26 -5.17 121.76 113.77 1n3g s ALA 97 Ca 0.26 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1n3g s ALA 97 Cb -0.17 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 1n3g s ALA 97 CO 0.15 -2.06 0.52 0.00 0.00 0.00 0.00 175.76 174.36 1n3g s ALA 98 N 2.68 4.28 -0.43 0.00 0.00 -1.26 -5.01 121.76 122.02 1n3g s ALA 98 Ca 0.19 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1n3g s ALA 98 Cb -0.04 -1.71 0.68 0.00 0.00 0.00 0.00 23.12 22.05 1n3g s ALA 98 CO -0.21 -0.14 1.90 -2.37 0.00 0.00 0.00 175.76 174.93 1n3g n THR 99 N -1.75 3.15 1.11 0.00 5.66 -1.26 -4.27 114.28 116.91 1n3g n THR 99 Ca 0.02 -1.85 0.12 0.00 -3.05 0.00 0.00 64.05 59.29 1n3g n THR 99 Cb 0.58 -0.45 0.16 0.00 -1.55 0.00 0.00 70.33 69.07 1n3g n THR 99 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1n3g n SER 100 N -0.95 1.46 -0.03 1.09 2.88 -1.26 -3.86 113.62 112.94 1n3g n SER 100 Ca 0.56 -1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 56.73 1n3g n SER 100 Cb 1.62 0.36 -0.13 0.00 -0.75 0.00 0.00 64.21 65.31 1n3g n SER 100 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1n3g n VAL 101 N -0.46 1.70 1.01 2.46 0.31 -1.26 -4.10 118.33 117.99 1n3g n VAL 101 Ca 0.10 -0.47 0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1n3g n VAL 101 Cb 0.40 -1.81 0.59 0.00 -0.91 0.00 0.00 33.84 32.11 1n3g n VAL 101 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3g n LYS 102 N -3.76 0.12 -0.13 5.55 0.00 -1.26 -3.71 118.16 114.97 1n3g n LYS 102 Ca -0.33 0.05 -0.05 0.00 0.00 0.00 0.00 58.31 57.98 1n3g n LYS 102 Cb 0.94 -1.50 0.03 0.00 0.00 0.00 0.00 35.03 34.50 1n3g n LYS 102 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1n3g h ASP 103 N 0.00 0.18 -0.49 3.14 2.03 -1.71 -1.88 116.42 117.68 1n3g h ASP 103 Ca 0.00 0.04 -0.30 0.00 -0.73 0.00 0.00 57.03 56.04 1n3g h ASP 103 Cb 0.39 0.02 -0.15 0.00 -0.83 0.00 0.00 39.33 38.76 1n3g h ASP 103 CO 0.00 0.14 0.39 0.00 -1.03 0.00 0.00 179.24 178.74 1n3g n ALA 104 N -2.36 4.72 -0.09 4.15 0.00 -1.24 -4.04 120.51 121.65 1n3g n ALA 104 Ca 0.03 -1.60 -0.07 0.00 0.00 0.00 0.00 53.44 51.80 1n3g n ALA 104 Cb 0.15 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 1n3g n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n3g n ASN 105 N 0.08 0.01 -4.52 0.00 5.15 -0.71 -4.99 115.26 110.28 1n3g n ASN 105 Ca 0.30 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.98 1n3g n ASN 105 Cb 0.77 1.13 0.20 0.00 -0.53 0.00 0.00 39.78 41.35 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1n3g n PHE 106 N -2.68 -0.46 -1.43 1.20 3.01 -1.26 -4.96 117.46 110.88 1n3g n PHE 106 Ca -0.29 0.15 -0.32 0.00 1.01 0.00 0.00 57.45 58.00 1n3g n PHE 106 Cb 1.08 -1.82 0.08 0.00 -0.01 0.00 0.00 39.48 38.81 1n3g n PHE 106 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3g s VAL 107 N -2.48 3.20 0.00 -4.37 1.01 -1.26 -5.01 120.40 111.50 1n3g s VAL 107 Ca 0.65 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1n3g s VAL 107 Cb -0.23 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1n3g s VAL 107 CO 0.63 -0.44 0.00 -1.84 0.00 0.00 0.00 175.10 173.44 1n3g n GLU 108 N -3.11 0.00 -0.30 2.72 0.00 -1.26 -4.74 120.64 113.95 1n3g n GLU 108 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.04 1n3g n GLU 108 Cb 0.52 -0.36 0.21 0.00 0.00 0.00 0.00 31.44 31.82 1n3g n GLU 108 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1n3g n GLU 109 N 0.00 -3.22 -2.32 3.44 -0.00 -1.26 -4.06 120.64 113.23 1n3g n GLU 109 Ca 0.00 -1.03 -0.14 0.00 -0.00 0.00 0.00 57.16 55.99 1n3g n GLU 109 Cb 0.00 -1.54 -0.00 0.00 -0.00 0.00 0.00 31.44 29.89 1n3g n GLU 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1n3g n VAL 110 N -5.00 -0.73 -2.61 3.84 0.31 -1.26 -4.93 118.33 107.94 1n3g n VAL 110 Ca 0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1n3g n VAL 110 Cb 0.43 -2.22 0.01 0.00 -0.91 0.00 0.00 33.84 31.15 1n3g n VAL 110 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1n3g n GLU 111 N -2.40 4.34 -2.34 5.55 4.07 -1.26 -4.62 120.64 123.97 1n3g n GLU 111 Ca -0.16 -4.10 -0.20 0.00 -0.06 0.00 0.00 57.16 52.64 1n3g n GLU 111 Cb 0.62 -2.66 -0.02 0.00 -0.06 0.00 0.00 31.44 29.33 1n3g n GLU 111 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1n3g n GLU 112 N 2.04 -1.70 0.00 5.31 1.02 -1.26 -5.24 120.64 120.81 1n3g n GLU 112 Ca 0.37 1.00 0.09 0.00 -0.02 0.00 0.00 57.16 58.60 1n3g n GLU 112 Cb 0.32 -5.64 0.52 0.00 -0.02 0.00 0.00 31.44 26.62 1n3g n GLU 112 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46