#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 s ARG 2 N 0.00 3.93 0.17 2.12 1.81 -1.26 -4.86 118.95 120.85 2oq3 s ARG 2 Ca 0.00 2.10 -0.14 0.00 -1.72 0.00 0.00 55.73 55.96 2oq3 s ARG 2 Cb 0.00 -4.09 0.05 0.00 -0.45 0.00 0.00 34.95 30.47 2oq3 s ARG 2 CO 0.00 -1.16 1.82 -0.07 -0.68 0.00 0.00 175.30 175.21 2oq3 h LEU 3 N 11.36 0.59 -2.39 2.53 -0.00 -1.43 -2.41 115.31 123.55 2oq3 h LEU 3 Ca -0.40 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2oq3 h LEU 3 Cb 1.19 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2oq3 h LEU 3 CO 0.97 0.44 0.18 0.77 -0.00 0.00 0.00 178.44 180.80 2oq3 h SER 4 N 0.68 0.00 0.22 -0.43 4.64 -1.69 -0.38 113.55 116.58 2oq3 h SER 4 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 2oq3 h SER 4 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2oq3 h SER 4 CO -0.04 0.00 -0.11 -0.78 -0.87 0.00 0.00 176.83 175.03 2oq3 h ASP 5 N 0.00 0.00 0.26 4.97 3.58 -1.77 -3.21 116.42 120.25 2oq3 h ASP 5 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2oq3 h ASP 5 Cb 0.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2oq3 h ASP 5 CO 0.00 0.11 -1.85 -1.22 -2.88 0.00 0.00 179.24 173.39 2oq3 n TYR 6 N -3.92 0.31 -3.40 0.28 4.01 -0.15 -4.81 117.16 109.48 2oq3 n TYR 6 Ca -0.02 0.10 -0.44 0.00 -0.16 0.00 0.00 57.90 57.37 2oq3 n TYR 6 Cb 0.20 -0.79 -0.07 0.00 -0.31 0.00 0.00 39.34 38.38 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oq3 s PHE 7 N -3.15 3.29 0.03 -0.72 0.40 -1.21 -0.04 117.98 116.57 2oq3 s PHE 7 Ca -0.07 -1.34 -0.19 0.00 -0.60 0.00 0.00 56.93 54.73 2oq3 s PHE 7 Cb 0.11 -3.54 -0.11 0.00 0.51 0.00 0.00 43.02 39.99 2oq3 s PHE 7 CO 0.86 -0.95 1.22 -1.00 0.70 0.00 0.00 175.22 176.04 2oq3 h PRO 8 N 8.74 -0.68 0.00 0.24 0.13 -1.84 -3.47 132.00 135.12 2oq3 h PRO 8 Ca -0.27 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2oq3 h PRO 8 Cb 1.10 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2oq3 h PRO 8 CO 0.95 -0.45 0.00 -1.91 -0.23 0.00 0.00 178.00 176.36 2oq3 n GLU 9 N -4.01 0.00 0.00 0.86 4.07 -1.26 -4.91 120.64 115.39 2oq3 n GLU 9 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2oq3 n GLU 9 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2oq3 n SER 10 N -1.35 0.04 -0.10 4.31 7.64 -1.26 -4.15 113.62 118.75 2oq3 n SER 10 Ca 0.00 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2oq3 n SER 10 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2oq3 n SER 11 N -0.43 0.20 -3.88 6.43 3.41 -1.26 -4.59 113.62 113.50 2oq3 n SER 11 Ca 0.00 -1.93 -0.19 0.00 -0.26 0.00 0.00 58.87 56.49 2oq3 n SER 11 Cb 0.01 -0.10 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oq3 s ILE 12 N -1.79 0.45 0.03 -1.33 1.09 -1.25 0.01 121.20 118.40 2oq3 s ILE 12 Ca 0.00 -0.08 -0.06 0.00 -1.10 0.00 0.00 60.65 59.41 2oq3 s ILE 12 Cb 0.00 -0.48 -0.01 0.00 -1.06 0.00 0.00 42.46 40.91 2oq3 s ILE 12 CO 0.00 0.20 0.12 -0.44 -0.10 0.00 0.00 174.94 174.72 2oq3 s SER 13 N 0.89 0.13 0.01 3.58 0.01 -0.38 -4.98 113.70 112.96 2oq3 s SER 13 Ca -0.11 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.78 2oq3 s SER 13 Cb -0.14 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 2oq3 s SER 13 CO -0.00 -0.49 -0.23 -0.69 0.41 0.00 0.00 173.24 172.25 2oq3 s VAL 14 N -2.34 1.81 0.01 3.43 1.01 -1.26 -1.96 120.40 121.10 2oq3 s VAL 14 Ca -0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 2oq3 s VAL 14 Cb -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2oq3 s VAL 14 CO -0.03 0.39 0.00 -0.63 0.00 0.00 0.00 175.10 174.83 2oq3 s ILE 15 N -0.66 0.07 0.03 2.22 1.01 -0.38 -4.96 121.20 118.53 2oq3 s ILE 15 Ca 0.09 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 2oq3 s ILE 15 Cb -0.09 -0.19 -0.17 0.00 0.01 0.00 0.00 42.46 42.02 2oq3 s ILE 15 CO 0.00 -0.30 1.41 0.45 0.00 0.00 0.00 174.94 176.51 2oq3 h HIS 16 N 5.19 -0.18 -2.10 3.97 3.86 -1.94 -0.22 115.15 123.74 2oq3 h HIS 16 Ca -0.29 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2oq3 h HIS 16 Cb 1.21 0.06 -0.20 0.00 1.06 0.00 0.00 27.41 29.54 2oq3 h HIS 16 CO 0.56 0.11 0.13 -1.12 0.86 0.00 0.00 177.93 178.47 2oq3 s SER 17 N -5.26 -0.64 0.47 2.45 0.01 -1.26 -0.67 113.70 108.80 2oq3 s SER 17 Ca -0.15 0.83 -0.21 0.00 1.31 0.00 0.00 55.95 57.74 2oq3 s SER 17 Cb 0.03 0.73 -0.09 0.00 0.21 0.00 0.00 66.02 66.90 2oq3 s SER 17 CO 0.62 -0.51 1.02 0.00 0.41 0.00 0.00 173.24 174.78 2oq3 s ALA 18 N -0.83 2.92 0.28 1.44 0.00 -1.26 -4.94 121.76 119.36 2oq3 s ALA 18 Ca -0.09 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2oq3 s ALA 18 Cb -0.02 -3.23 0.43 0.00 0.00 0.00 0.00 23.12 20.31 2oq3 s ALA 18 CO 0.07 -0.21 1.91 -0.22 0.00 0.00 0.00 175.76 177.32 2oq3 h LYS 19 N 1.67 1.12 -2.88 0.00 3.11 -1.99 -3.46 116.57 114.13 2oq3 h LYS 19 Ca -0.49 -0.07 0.04 0.00 -2.81 0.00 0.00 60.65 57.32 2oq3 h LYS 19 Cb 1.21 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 2oq3 h LYS 19 CO 0.60 0.74 0.32 0.34 -2.81 0.00 0.00 179.45 178.64 2oq3 s ASP 20 N -6.04 -0.08 0.27 4.20 2.15 -1.26 -4.98 116.67 110.93 2oq3 s ASP 20 Ca -0.12 -0.89 0.04 0.00 0.43 0.00 0.00 52.55 52.01 2oq3 s ASP 20 Cb 0.19 0.74 0.36 0.00 -0.30 0.00 0.00 42.92 43.92 2oq3 s ASP 20 CO 0.81 -1.45 1.66 4.11 -0.17 0.00 0.00 175.17 180.13 2oq3 h TRP 21 N 2.00 0.42 -0.76 -5.34 0.09 -1.90 0.61 115.95 111.06 2oq3 h TRP 21 Ca -0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 58.89 58.58 2oq3 h TRP 21 Cb 1.24 -0.09 -0.04 0.00 0.08 0.00 0.00 29.16 30.35 2oq3 h TRP 21 CO 1.06 0.71 0.44 -0.56 0.09 0.00 0.00 178.44 180.19 2oq3 h GLN 22 N 0.30 1.05 -0.16 0.12 3.07 -1.96 -2.65 115.11 114.88 2oq3 h GLN 22 Ca 0.03 -0.11 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 2oq3 h GLN 22 Cb 0.85 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 28.18 2oq3 h GLN 22 CO 0.07 0.76 -0.30 1.49 0.09 0.00 0.00 178.83 180.93 2oq3 h GLU 23 N 1.05 0.30 -0.36 0.06 4.57 -1.79 -1.74 114.58 116.67 2oq3 h GLU 23 Ca 0.27 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2oq3 h GLU 23 Cb -0.01 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2oq3 h GLU 23 CO -0.05 0.58 0.00 0.00 -1.18 0.00 0.00 179.01 178.36 2oq3 h ALA 24 N 1.42 1.33 -0.15 2.92 0.00 -0.55 0.20 119.26 124.43 2oq3 h ALA 24 Ca 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2oq3 h ALA 24 Cb 0.67 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2oq3 h ALA 24 CO 0.05 0.46 -0.07 0.82 0.00 0.00 0.00 179.25 180.51 2oq3 h ILE 25 N 0.54 1.31 -0.46 0.00 2.04 -1.25 -2.18 117.51 117.52 2oq3 h ILE 25 Ca 0.11 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.93 2oq3 h ILE 25 Cb 0.35 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2oq3 h ILE 25 CO 0.01 0.33 0.13 -0.78 0.00 0.00 0.00 178.15 177.84 2oq3 h ASP 26 N -0.01 0.10 0.19 1.72 1.82 -0.37 0.32 116.42 120.19 2oq3 h ASP 26 Ca 0.03 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.67 2oq3 h ASP 26 Cb 0.54 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2oq3 h ASP 26 CO 0.02 0.09 -0.27 -0.26 -1.61 0.00 0.00 179.24 177.21 2oq3 h PHE 27 N 0.29 0.16 0.00 0.28 0.04 -0.72 0.24 116.94 117.23 2oq3 h PHE 27 Ca 0.22 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2oq3 h PHE 27 Cb 0.25 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2oq3 h PHE 27 CO -0.18 0.41 -0.02 0.77 -0.60 0.00 0.00 178.31 178.69 2oq3 h SER 28 N 0.13 0.00 0.00 2.17 0.02 -0.27 -3.32 113.55 112.28 2oq3 h SER 28 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2oq3 h SER 28 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2oq3 h SER 28 CO 0.04 0.02 -0.64 0.23 -1.14 0.00 0.00 176.83 175.35 2oq3 n MET 29 N -3.42 2.16 -0.20 3.45 2.81 -0.65 -3.80 117.12 117.48 2oq3 n MET 29 Ca -0.02 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.93 2oq3 n MET 29 Cb 0.13 -0.80 0.35 0.00 -0.71 0.00 0.00 33.22 32.18 2oq3 n MET 29 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2oq3 h VAL 30 N 0.00 1.01 -0.10 2.03 3.04 -0.66 -0.34 116.25 121.24 2oq3 h VAL 30 Ca 0.00 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 65.34 2oq3 h VAL 30 Cb 0.00 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.44 2oq3 h VAL 30 CO 0.00 0.14 -0.32 0.28 -1.01 0.00 0.00 177.57 176.66 2oq3 h SER 31 N 0.77 0.18 -0.14 3.17 0.02 -1.85 0.52 113.55 116.23 2oq3 h SER 31 Ca 0.33 -0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 2oq3 h SER 31 Cb 0.28 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2oq3 h SER 31 CO -0.11 0.51 -0.71 -0.07 -1.14 0.00 0.00 176.83 175.30 2oq3 h LEU 32 N 0.16 0.87 -0.56 5.07 3.38 -1.46 -3.04 115.31 119.73 2oq3 h LEU 32 Ca 0.02 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.37 2oq3 h LEU 32 Cb 0.66 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2oq3 h LEU 32 CO 0.05 1.36 0.35 0.25 0.09 0.00 0.00 178.44 180.54 2oq3 h LEU 33 N 0.43 0.60 -0.55 1.67 5.85 -0.44 0.14 115.31 123.00 2oq3 h LEU 33 Ca -0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2oq3 h LEU 33 Cb 1.35 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2oq3 h LEU 33 CO 0.15 0.42 0.16 -0.78 -0.34 0.00 0.00 178.44 178.05 2oq3 h ASP 34 N 0.71 0.82 -0.08 1.25 3.58 -0.97 -1.20 116.42 120.53 2oq3 h ASP 34 Ca 0.22 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 34 Cb -0.03 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2oq3 h ASP 34 CO -0.07 0.82 0.00 0.29 -2.88 0.00 0.00 179.24 177.40 2oq3 n LYS 35 N -4.43 1.29 -3.87 0.28 4.01 -1.14 -4.91 118.16 109.40 2oq3 n LYS 35 Ca 0.02 -0.33 -0.30 0.00 -0.51 0.00 0.00 58.31 57.19 2oq3 n LYS 35 Cb 0.21 -1.26 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2oq3 n ASN 36 N -0.13 -2.67 0.25 4.39 0.23 -0.45 -4.84 115.26 112.03 2oq3 n ASN 36 Ca 0.03 -0.72 0.16 0.00 -0.53 0.00 0.00 54.58 53.53 2oq3 n ASN 36 Cb 0.18 -2.25 0.66 0.00 -2.08 0.00 0.00 39.78 36.29 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 2oq3 h TYR 37 N -0.96 0.00 -4.08 -2.53 -1.99 -0.97 -3.41 116.97 103.02 2oq3 h TYR 37 Ca -0.47 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.12 2oq3 h TYR 37 Cb 1.31 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.91 2oq3 h TYR 37 CO 0.70 0.00 -0.38 0.96 -0.00 0.00 0.00 178.16 179.44 2oq3 s ILE 38 N -3.61 0.03 0.29 -2.88 -4.36 -1.24 -0.57 121.20 108.84 2oq3 s ILE 38 Ca 0.02 -1.64 0.07 0.00 -0.26 0.00 0.00 60.65 58.84 2oq3 s ILE 38 Cb 0.09 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 2oq3 s ILE 38 CO 0.51 -0.12 0.23 -0.44 0.24 0.00 0.00 174.94 175.36 2oq3 s SER 39 N -3.05 5.41 0.34 4.36 0.01 -0.16 -4.62 113.70 115.98 2oq3 s SER 39 Ca 0.27 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.20 2oq3 s SER 39 Cb 0.04 -1.22 0.63 0.00 0.21 0.00 0.00 66.02 65.67 2oq3 s SER 39 CO 0.07 -0.16 1.97 -0.33 0.41 0.00 0.00 173.24 175.20 2oq3 h GLU 40 N 1.40 0.86 -0.00 12.44 5.08 -1.95 -0.29 114.58 132.12 2oq3 h GLU 40 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2oq3 h GLU 40 Cb 1.24 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2oq3 h GLU 40 CO 0.60 0.57 0.00 -2.95 -1.00 0.00 0.00 179.01 176.23 2oq3 h ASN 41 N 0.89 0.00 -0.30 1.42 -1.07 -1.94 -1.99 115.58 112.59 2oq3 h ASN 41 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.64 2oq3 h ASN 41 Cb 0.06 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.30 2oq3 h ASN 41 CO -0.08 0.00 0.10 0.22 0.07 0.00 0.00 177.43 177.74 2oq3 h TYR 42 N 0.00 0.47 -0.20 4.14 3.20 -0.98 -1.17 116.97 122.43 2oq3 h TYR 42 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2oq3 h TYR 42 Cb 0.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2oq3 h TYR 42 CO 0.00 0.48 0.13 0.82 -1.64 0.00 0.00 178.16 177.95 2oq3 h ILE 43 N 0.32 1.07 0.00 1.81 5.03 -1.47 -2.81 117.51 121.47 2oq3 h ILE 43 Ca 0.10 -0.16 -0.06 0.00 -0.12 0.00 0.00 64.86 64.63 2oq3 h ILE 43 Cb 0.22 0.81 -0.01 0.00 -3.03 0.00 0.00 36.82 34.81 2oq3 h ILE 43 CO -0.00 0.07 -0.27 -0.61 -0.68 0.00 0.00 178.15 176.66 2oq3 h GLN 44 N 0.26 0.00 -0.55 2.37 5.75 -1.32 -1.38 115.11 120.23 2oq3 h GLN 44 Ca 0.07 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2oq3 h GLN 44 Cb -0.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2oq3 h GLN 44 CO -0.01 0.27 0.37 0.00 -2.65 0.00 0.00 178.83 176.80 2oq3 h ALA 45 N 1.73 1.64 0.01 3.38 0.00 -0.94 0.63 119.26 125.71 2oq3 h ALA 45 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2oq3 h ALA 45 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oq3 h ALA 45 CO 0.03 0.33 -0.01 0.82 0.00 0.00 0.00 179.25 180.43 2oq3 h ILE 46 N 0.72 1.55 -0.59 0.00 2.04 -1.25 -3.31 117.51 116.67 2oq3 h ILE 46 Ca 0.21 -1.83 0.04 0.00 1.00 0.00 0.00 64.86 64.28 2oq3 h ILE 46 Cb -0.04 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 2oq3 h ILE 46 CO -0.05 0.46 0.34 0.11 0.00 0.00 0.00 178.15 179.01 2oq3 h LYS 47 N -0.82 0.63 0.06 2.37 1.57 -0.98 -1.64 116.57 117.77 2oq3 h LYS 47 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2oq3 h LYS 47 Cb 0.77 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2oq3 h LYS 47 CO 0.00 0.42 -0.03 0.22 -0.57 0.00 0.00 179.45 179.49 2oq3 h ASP 48 N 0.65 -0.07 -0.50 0.86 3.58 -1.02 0.39 116.42 120.31 2oq3 h ASP 48 Ca 0.25 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2oq3 h ASP 48 Cb 0.09 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2oq3 h ASP 48 CO -0.13 0.04 -0.04 0.28 -2.88 0.00 0.00 179.24 176.51 2oq3 h SER 49 N -0.18 0.93 -0.48 2.28 0.02 -1.63 -0.33 113.55 114.17 2oq3 h SER 49 Ca -0.01 -0.27 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2oq3 h SER 49 Cb 0.15 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2oq3 h SER 49 CO 0.01 1.01 0.20 0.74 -1.14 0.00 0.00 176.83 177.65 2oq3 h THR 50 N 0.87 0.89 -0.24 -2.27 2.02 -0.95 -0.75 112.91 112.48 2oq3 h THR 50 Ca 0.15 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.05 2oq3 h THR 50 Cb 0.56 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2oq3 h THR 50 CO 0.03 0.07 -0.41 0.40 0.37 0.00 0.00 175.52 175.99 2oq3 h ILE 51 N 0.39 1.31 0.05 3.11 2.04 -0.59 -1.80 117.51 122.02 2oq3 h ILE 51 Ca 0.22 -1.61 -0.23 0.00 1.00 0.00 0.00 64.86 64.24 2oq3 h ILE 51 Cb 0.19 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2oq3 h ILE 51 CO -0.20 0.51 -1.03 0.78 0.00 0.00 0.00 178.15 178.21 2oq3 h ASN 52 N 0.42 0.33 0.00 1.72 2.35 -0.84 -3.41 115.58 116.15 2oq3 h ASN 52 Ca 0.02 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2oq3 h ASN 52 Cb 1.01 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2oq3 h ASN 52 CO 0.09 1.16 -0.27 -0.46 -1.65 0.00 0.00 177.43 176.30 2oq3 n ASN 53 N -3.59 1.37 0.00 5.81 0.23 -0.32 -5.08 115.26 113.69 2oq3 n ASN 53 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2oq3 n ASN 53 Cb 0.90 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.83 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2oq3 n GLY 54 N 0.85 3.48 3.74 4.83 0.00 -0.68 -4.97 105.19 112.44 2oq3 n GLY 54 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 2oq3 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oq3 s PRO 55 N -2.88 2.41 -0.02 1.61 0.04 -1.25 -3.76 135.00 131.14 2oq3 s PRO 55 Ca 0.00 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2oq3 s PRO 55 Cb 0.00 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.72 2oq3 s PRO 55 CO 0.00 -1.62 0.87 2.48 0.04 0.00 0.00 177.00 178.77 2oq3 n TYR 56 N -2.43 0.00 -3.42 0.56 4.11 -1.26 -4.83 117.16 109.89 2oq3 n TYR 56 Ca 0.13 -0.30 -0.27 0.00 -0.00 0.00 0.00 57.90 57.46 2oq3 n TYR 56 Cb 0.50 -0.05 -0.10 0.00 -0.00 0.00 0.00 39.34 39.69 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2oq3 s TYR 57 N -0.76 1.17 -0.04 -3.48 2.02 -1.26 -5.07 117.35 109.93 2oq3 s TYR 57 Ca 0.06 -2.31 0.05 0.00 -0.37 0.00 0.00 57.07 54.50 2oq3 s TYR 57 Cb 0.05 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2oq3 s TYR 57 CO 0.01 -0.82 -0.20 0.42 -1.57 0.00 0.00 175.55 173.39 2oq3 s ILE 58 N 0.08 1.61 0.00 2.71 -1.09 -1.26 -0.87 121.20 122.37 2oq3 s ILE 58 Ca 0.31 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2oq3 s ILE 58 Cb 0.01 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.53 2oq3 s ILE 58 CO -0.18 0.46 0.00 0.18 -1.23 0.00 0.00 174.94 174.17 2oq3 n LEU 59 N 2.94 0.10 -3.47 2.97 7.99 -0.54 -4.96 117.00 122.03 2oq3 n LEU 59 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.71 2oq3 n LEU 59 Cb 0.53 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 2oq3 n LEU 59 CO 0.25 0.02 0.39 0.00 -1.51 0.00 0.00 177.39 176.53 2oq3 s ALA 60 N -1.89 -1.52 -0.18 -1.18 0.00 -1.18 -5.02 121.76 110.79 2oq3 s ALA 60 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 2oq3 s ALA 60 Cb 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 23.12 23.91 2oq3 s ALA 60 CO 0.00 -0.79 2.11 -0.35 0.00 0.00 0.00 175.76 176.74 2oq3 n PRO 61 N -0.38 1.95 0.00 0.00 -0.04 -1.26 -1.09 135.00 134.18 2oq3 n PRO 61 Ca -0.16 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2oq3 n PRO 61 Cb 0.64 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 62 N 5.49 0.35 2.96 0.55 0.00 -1.24 -5.02 105.19 108.27 2oq3 n GLY 62 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 2oq3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 63 N -2.00 1.04 0.34 1.61 1.01 -0.25 -1.41 120.40 120.75 2oq3 s VAL 63 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2oq3 s VAL 63 Cb 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2oq3 s VAL 63 CO 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 2oq3 s ALA 64 N 1.19 2.71 -0.38 5.51 0.00 -0.26 -1.47 121.76 129.05 2oq3 s ALA 64 Ca -0.05 -2.11 0.11 0.00 0.00 0.00 0.00 51.96 49.91 2oq3 s ALA 64 Cb -0.14 0.28 0.32 0.00 0.00 0.00 0.00 23.12 23.59 2oq3 s ALA 64 CO -0.02 -0.13 0.72 -0.12 0.00 0.00 0.00 175.76 176.20 2oq3 n MET 65 N -0.77 0.92 -1.56 0.00 0.00 -0.05 -2.30 117.12 113.36 2oq3 n MET 65 Ca -0.04 -3.21 -0.43 0.00 0.00 0.00 0.00 57.70 54.02 2oq3 n MET 65 Cb 0.65 -1.55 -0.00 0.00 0.00 0.00 0.00 33.22 32.32 2oq3 n MET 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2oq3 n PRO 66 N 0.55 1.12 0.00 2.12 -0.02 -0.92 -4.75 135.00 133.10 2oq3 n PRO 66 Ca 0.22 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2oq3 n PRO 66 Cb 0.64 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2oq3 n PRO 66 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2oq3 n HIS 67 N -0.23 0.00 -4.18 6.00 -0.00 -1.26 -1.94 115.22 113.61 2oq3 n HIS 67 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.71 2oq3 n HIS 67 Cb 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.24 2oq3 n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oq3 s ALA 68 N -2.00 1.05 0.38 1.57 0.00 -1.26 -4.82 121.76 116.67 2oq3 s ALA 68 Ca 0.00 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 2oq3 s ALA 68 Cb 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 23.12 23.13 2oq3 s ALA 68 CO 0.00 -0.19 0.96 0.54 0.00 0.00 0.00 175.76 177.07 2oq3 n ARG 69 N 0.04 1.28 -0.32 0.00 1.74 -1.26 -4.83 116.66 113.30 2oq3 n ARG 69 Ca -0.13 0.45 0.18 0.00 -0.77 0.00 0.00 57.85 57.59 2oq3 n ARG 69 Cb 0.60 -1.92 0.38 0.00 -1.02 0.00 0.00 32.46 30.50 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2oq3 h PRO 70 N 1.62 0.29 0.00 5.56 0.11 -1.93 0.05 132.00 137.71 2oq3 h PRO 70 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2oq3 h PRO 70 Cb 1.34 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2oq3 h PRO 70 CO 0.58 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 2oq3 n GLU 71 N -5.11 0.14 0.00 1.05 -0.58 -1.26 -0.89 120.64 113.99 2oq3 n GLU 71 Ca 0.27 0.60 0.13 0.00 -0.42 0.00 0.00 57.16 57.73 2oq3 n GLU 71 Cb 0.82 -1.92 0.57 0.00 -0.57 0.00 0.00 31.44 30.34 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2oq3 n GLY 73 N 1.14 0.04 3.77 0.00 0.00 -0.89 -3.11 105.19 106.13 2oq3 n GLY 73 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2oq3 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oq3 s ALA 74 N -0.29 2.75 0.00 4.61 0.00 -0.06 -0.99 121.76 127.78 2oq3 s ALA 74 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2oq3 s ALA 74 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2oq3 s ALA 74 CO 0.00 -0.73 0.00 1.28 0.00 0.00 0.00 175.76 176.31 2oq3 n LEU 75 N -1.14 0.93 -3.92 0.00 4.77 0.26 -4.86 117.00 113.03 2oq3 n LEU 75 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2oq3 n LEU 75 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2oq3 n LEU 75 CO 0.43 0.15 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.93 2oq3 s LYS 76 N -1.53 0.74 -0.15 3.23 1.02 -0.47 -4.74 119.74 117.84 2oq3 s LYS 76 Ca 0.00 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 54.83 2oq3 s LYS 76 Cb 0.00 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2oq3 s LYS 76 CO 0.00 -0.21 0.53 0.99 -0.92 0.00 0.00 175.35 175.74 2oq3 s THR 77 N -3.61 5.13 0.11 2.17 2.01 -1.26 -3.91 115.64 116.27 2oq3 s THR 77 Ca 0.03 1.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.85 2oq3 s THR 77 Cb 0.04 -3.86 0.07 0.00 0.01 0.00 0.00 72.50 68.76 2oq3 s THR 77 CO -0.09 0.24 0.97 0.61 -0.69 0.00 0.00 174.62 175.66 2oq3 n GLY 78 N 3.52 0.56 3.38 4.40 0.00 -0.12 -4.96 105.19 111.98 2oq3 n GLY 78 Ca -0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 2oq3 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oq3 s MET 79 N -2.04 1.38 0.27 1.61 -1.94 0.94 -0.80 119.30 118.73 2oq3 s MET 79 Ca 0.22 -1.47 -0.13 0.00 -1.71 0.00 0.00 55.69 52.60 2oq3 s MET 79 Cb -0.02 0.36 0.00 0.00 2.01 0.00 0.00 34.83 37.19 2oq3 s MET 79 CO 0.03 -0.52 0.52 -1.12 -0.01 0.00 0.00 175.02 173.93 2oq3 s SER 80 N -3.10 0.01 -0.07 3.03 0.01 -0.49 -4.38 113.70 108.70 2oq3 s SER 80 Ca 0.31 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.57 2oq3 s SER 80 Cb 0.03 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.93 2oq3 s SER 80 CO 0.11 -1.22 0.16 -0.22 0.41 0.00 0.00 173.24 172.48 2oq3 s LEU 81 N -3.04 0.60 0.02 2.44 2.96 0.10 -0.25 118.68 121.51 2oq3 s LEU 81 Ca 0.22 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 2oq3 s LEU 81 Cb -0.01 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 47.05 2oq3 s LEU 81 CO 0.10 -0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.95 2oq3 s THR 82 N 1.31 1.03 0.01 3.68 2.01 0.09 -1.25 115.64 122.53 2oq3 s THR 82 Ca -0.08 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.17 2oq3 s THR 82 Cb -0.12 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 2oq3 s THR 82 CO -0.06 0.12 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.69 2oq3 s LEU 83 N -0.75 2.10 -0.07 4.42 2.96 -0.83 -1.37 118.68 125.15 2oq3 s LEU 83 Ca 0.03 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2oq3 s LEU 83 Cb -0.06 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 2oq3 s LEU 83 CO 0.00 0.01 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.16 2oq3 s LEU 84 N -0.66 2.83 0.13 -0.68 2.01 0.42 -1.25 118.68 121.48 2oq3 s LEU 84 Ca -0.00 -0.19 -0.12 0.00 0.01 0.00 0.00 54.13 53.83 2oq3 s LEU 84 Cb -0.05 -1.60 -0.05 0.00 0.01 0.00 0.00 46.19 44.50 2oq3 s LEU 84 CO 0.00 0.31 1.47 -0.33 1.01 0.00 0.00 176.35 178.81 2oq3 h GLU 85 N 5.63 0.87 -4.20 1.70 5.08 -0.87 -3.39 114.58 119.40 2oq3 h GLU 85 Ca -0.42 -0.44 -0.66 0.00 -1.00 0.00 0.00 59.36 56.84 2oq3 h GLU 85 Cb 1.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 2oq3 h GLU 85 CO 0.52 1.08 -0.66 -0.65 -1.00 0.00 0.00 179.01 178.31 2oq3 s GLN 86 N -4.46 1.75 0.84 2.33 -0.21 0.15 -5.04 119.66 115.03 2oq3 s GLN 86 Ca -0.12 -2.14 -0.15 0.00 0.02 0.00 0.00 55.36 52.97 2oq3 s GLN 86 Cb 0.10 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 2oq3 s GLN 86 CO 0.86 -1.02 0.37 0.41 -2.12 0.00 0.00 175.29 173.80 2oq3 n GLY 87 N 3.88 -1.99 3.44 3.09 0.00 -1.26 -4.25 105.19 108.10 2oq3 n GLY 87 Ca 0.04 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 88 N -2.14 2.50 -0.53 1.61 1.01 -0.87 -4.83 120.40 117.14 2oq3 s VAL 88 Ca 0.60 -1.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 2oq3 s VAL 88 Cb -0.28 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.07 2oq3 s VAL 88 CO 0.64 -0.04 0.33 -0.47 0.00 0.00 0.00 175.10 175.55 2oq3 s TYR 89 N -1.47 3.46 0.18 5.22 6.14 -1.26 -0.79 117.35 128.82 2oq3 s TYR 89 Ca 0.19 -2.68 -0.32 0.00 0.64 0.00 0.00 57.07 54.90 2oq3 s TYR 89 Cb -0.09 -3.15 -0.16 0.00 0.42 0.00 0.00 41.96 38.98 2oq3 s TYR 89 CO 0.10 -0.88 1.07 1.19 0.64 0.00 0.00 175.55 177.67 2oq3 n PHE 90 N 3.84 1.07 -1.81 4.97 3.72 -1.26 -4.86 117.46 123.12 2oq3 n PHE 90 Ca 0.04 0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 57.76 2oq3 n PHE 90 Cb 0.38 -2.23 -0.02 0.00 -0.94 0.00 0.00 39.48 36.67 2oq3 n PHE 90 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2oq3 s PRO 91 N -0.57 4.15 0.00 -1.08 0.04 -1.26 -2.30 135.00 133.98 2oq3 s PRO 91 Ca 0.71 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.28 2oq3 s PRO 91 Cb -0.87 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2oq3 s PRO 91 CO 0.54 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2oq3 n GLY 92 N 2.73 0.34 3.70 0.56 0.00 -1.26 -4.29 105.19 106.97 2oq3 n GLY 92 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2oq3 n GLY 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oq3 s ASN 93 N -2.12 2.25 0.09 1.61 2.47 -0.97 -4.90 114.94 113.37 2oq3 s ASN 93 Ca 0.00 0.84 -0.18 0.00 0.42 0.00 0.00 52.86 53.94 2oq3 s ASN 93 Cb 0.00 -1.28 -0.07 0.00 -1.45 0.00 0.00 41.25 38.45 2oq3 s ASN 93 CO 0.00 -3.33 1.55 -0.78 -3.72 0.00 0.00 177.10 170.83 2oq3 h ASP 94 N -2.03 0.44 -5.00 -4.21 3.58 -1.95 -3.48 116.42 103.76 2oq3 h ASP 94 Ca -0.49 -0.28 0.03 0.00 0.42 0.00 0.00 57.03 56.71 2oq3 h ASP 94 Cb 1.31 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2oq3 h ASP 94 CO 0.49 0.60 0.25 -1.83 -2.88 0.00 0.00 179.24 175.87 2oq3 s GLU 95 N -5.11 1.98 0.77 0.28 -1.05 -1.26 -5.16 118.70 109.15 2oq3 s GLU 95 Ca -0.14 -1.18 -0.15 0.00 -0.15 0.00 0.00 54.97 53.36 2oq3 s GLU 95 Cb 0.08 0.62 0.03 0.00 -0.44 0.00 0.00 34.13 34.42 2oq3 s GLU 95 CO 0.74 -0.92 1.00 -2.30 0.95 0.00 0.00 175.26 174.74 2oq3 n PRO 96 N -0.49 0.32 -4.61 -4.83 -0.02 -1.26 -4.70 135.00 119.41 2oq3 n PRO 96 Ca -0.06 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.26 2oq3 n PRO 96 Cb 0.59 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.69 2oq3 n PRO 96 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oq3 s ILE 97 N -1.97 3.51 -0.35 4.25 -1.09 0.03 -3.63 121.20 121.95 2oq3 s ILE 97 Ca 0.72 -0.51 0.16 0.00 -2.23 0.00 0.00 60.65 58.78 2oq3 s ILE 97 Cb -0.32 -2.48 -0.21 0.00 -1.58 0.00 0.00 42.46 37.87 2oq3 s ILE 97 CO 0.52 0.53 0.49 0.29 -1.23 0.00 0.00 174.94 175.54 2oq3 n LYS 98 N 3.16 1.14 -3.78 2.79 5.02 -0.50 -2.06 118.16 123.93 2oq3 n LYS 98 Ca -0.18 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 55.89 2oq3 n LYS 98 Cb 0.53 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 2oq3 n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2oq3 s LEU 99 N -3.47 1.15 -0.01 -0.35 2.96 -0.70 -0.43 118.68 117.83 2oq3 s LEU 99 Ca -0.00 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2oq3 s LEU 99 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.76 2oq3 s LEU 99 CO 0.65 -0.12 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.77 2oq3 s LEU 100 N 0.97 1.91 -0.19 -0.68 1.02 -0.47 -1.10 118.68 120.14 2oq3 s LEU 100 Ca -0.08 -0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.01 2oq3 s LEU 100 Cb -0.12 -0.17 0.01 0.00 0.02 0.00 0.00 46.19 45.93 2oq3 s LEU 100 CO -0.03 0.02 -0.16 -0.63 0.02 0.00 0.00 176.35 175.58 2oq3 s ILE 101 N 0.04 2.38 0.42 -0.59 1.01 -0.97 -0.73 121.20 122.76 2oq3 s ILE 101 Ca -0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 2oq3 s ILE 101 Cb -0.03 -2.03 -0.10 0.00 0.01 0.00 0.00 42.46 40.31 2oq3 s ILE 101 CO -0.00 0.50 0.98 -0.83 0.00 0.00 0.00 174.94 175.59 2oq3 s GLY 102 N 1.33 2.54 -0.05 6.18 0.00 0.65 -2.17 107.32 115.80 2oq3 s GLY 102 Ca 0.05 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 2oq3 s GLY 102 CO -0.11 0.85 0.12 -2.27 0.00 0.00 0.00 173.10 171.69 2oq3 s LEU 103 N -2.98 1.31 0.05 0.66 0.20 -0.82 -1.40 118.68 115.71 2oq3 s LEU 103 Ca 0.61 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.72 2oq3 s LEU 103 Cb -0.14 0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.96 2oq3 s LEU 103 CO 0.18 -0.07 -0.15 -0.94 -0.29 0.00 0.00 176.35 175.08 2oq3 s SER 104 N 0.42 1.72 -0.09 3.68 1.04 0.02 -4.31 113.70 116.18 2oq3 s SER 104 Ca -0.03 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 2oq3 s SER 104 Cb -0.04 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.02 2oq3 s SER 104 CO -0.02 -0.00 0.23 0.00 0.98 0.00 0.00 173.24 174.43 2oq3 s ALA 105 N -1.02 -0.55 -0.12 5.32 0.00 -1.25 -0.95 121.76 123.19 2oq3 s ALA 105 Ca 0.01 0.76 0.22 0.00 0.00 0.00 0.00 51.96 52.95 2oq3 s ALA 105 Cb -0.09 -0.46 0.57 0.00 0.00 0.00 0.00 23.12 23.14 2oq3 s ALA 105 CO 0.02 -0.14 1.68 0.00 0.00 0.00 0.00 175.76 177.31 2oq3 h ALA 106 N 6.30 0.91 -2.56 0.00 0.00 -1.85 -3.39 119.26 118.68 2oq3 h ALA 106 Ca -0.31 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2oq3 h ALA 106 Cb 1.18 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 106 CO 0.37 0.27 -0.44 0.34 0.00 0.00 0.00 179.25 179.79 2oq3 s ASP 107 N -6.21 0.11 0.38 0.00 2.15 -1.26 -4.94 116.67 106.90 2oq3 s ASP 107 Ca 0.03 -0.48 0.05 0.00 0.43 0.00 0.00 52.55 52.58 2oq3 s ASP 107 Cb 0.08 0.28 0.76 0.00 -0.30 0.00 0.00 42.92 43.73 2oq3 s ASP 107 CO 0.67 -0.57 2.03 0.00 -0.17 0.00 0.00 175.17 177.12 2oq3 h ALA 108 N 3.39 1.63 -0.01 3.66 0.00 -1.99 0.15 119.26 126.09 2oq3 h ALA 108 Ca -0.33 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 2oq3 h ALA 108 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2oq3 h ALA 108 CO 0.51 0.34 -0.79 0.22 0.00 0.00 0.00 179.25 179.52 2oq3 h ASP 109 N 0.68 0.18 -0.74 0.00 3.58 -1.98 -0.84 116.42 117.29 2oq3 h ASP 109 Ca 0.18 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 109 Cb -0.06 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2oq3 h ASP 109 CO -0.04 0.90 0.27 0.28 -2.88 0.00 0.00 179.24 177.77 2oq3 h SER 110 N 0.09 1.04 -0.20 2.28 0.02 -1.79 -0.61 113.55 114.38 2oq3 h SER 110 Ca -0.03 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2oq3 h SER 110 Cb 1.39 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2oq3 h SER 110 CO 0.12 0.95 0.06 -0.74 -1.14 0.00 0.00 176.83 176.08 2oq3 h HIS 111 N 1.08 0.11 0.11 3.45 -0.00 -0.73 -0.87 115.15 118.30 2oq3 h HIS 111 Ca 0.24 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.64 2oq3 h HIS 111 Cb 0.25 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 2oq3 h HIS 111 CO 0.02 0.05 -0.22 0.82 -0.00 0.00 0.00 177.93 178.61 2oq3 h ILE 112 N 0.16 0.52 -0.86 6.26 1.08 -0.83 0.80 117.51 124.63 2oq3 h ILE 112 Ca 0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2oq3 h ILE 112 Cb 0.06 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 2oq3 h ILE 112 CO -0.09 0.00 0.51 1.23 -0.69 0.00 0.00 178.15 179.11 2oq3 h GLY 113 N -0.40 1.25 0.67 5.37 0.00 -0.94 0.00 103.07 109.02 2oq3 h GLY 113 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2oq3 h GLY 113 CO -0.12 0.51 -0.08 0.00 0.00 0.00 0.00 176.54 176.84 2oq3 h ALA 114 N 1.38 -0.23 -0.52 3.60 0.00 -0.86 -2.49 119.26 120.13 2oq3 h ALA 114 Ca 0.31 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2oq3 h ALA 114 Cb -0.04 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 2oq3 h ALA 114 CO -0.06 -0.46 0.10 0.82 0.00 0.00 0.00 179.25 179.65 2oq3 h ILE 115 N -0.56 0.70 0.00 0.00 1.08 -0.59 -0.21 117.51 117.93 2oq3 h ILE 115 Ca -0.02 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2oq3 h ILE 115 Cb 0.42 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2oq3 h ILE 115 CO 0.04 0.04 0.00 1.56 -0.69 0.00 0.00 178.15 179.10 2oq3 h GLN 116 N 0.24 0.00 0.06 2.37 1.08 -0.91 0.15 115.11 118.11 2oq3 h GLN 116 Ca 0.27 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.22 2oq3 h GLN 116 Cb 0.37 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2oq3 h GLN 116 CO -0.35 0.00 -1.28 0.00 -0.95 0.00 0.00 178.83 176.25 2oq3 h ALA 117 N 2.13 0.23 0.00 3.87 0.00 -0.64 -3.37 119.26 121.48 2oq3 h ALA 117 Ca 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 54.91 53.75 2oq3 h ALA 117 Cb 0.28 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2oq3 h ALA 117 CO 0.00 0.76 -0.22 1.37 0.00 0.00 0.00 179.25 181.15 2oq3 h LEU 118 N -0.60 0.00 -2.61 0.00 8.10 -0.60 -1.73 115.31 117.87 2oq3 h LEU 118 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 2oq3 h LEU 118 Cb 1.54 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.76 2oq3 h LEU 118 CO -0.05 0.22 0.03 0.28 -4.11 0.00 0.00 178.44 174.81 2oq3 h SER 119 N 0.00 0.00 0.44 0.17 0.02 -0.87 0.21 113.55 113.52 2oq3 h SER 119 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2oq3 h SER 119 Cb 0.73 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2oq3 h SER 119 CO 0.03 0.00 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.37 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.47 -2.61 114.58 118.34 2oq3 h GLU 120 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2oq3 h GLU 120 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2oq3 h GLU 120 CO -0.00 0.02 -0.62 1.28 -1.16 0.00 0.00 179.01 178.53 2oq3 n LEU 121 N -3.19 1.55 0.13 1.33 4.77 0.46 -4.58 117.00 117.46 2oq3 n LEU 121 Ca -0.01 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2oq3 n LEU 121 Cb 0.19 -0.59 0.57 0.00 -2.33 0.00 0.00 43.42 41.25 2oq3 n LEU 121 CO 0.24 -0.44 1.12 -0.07 -1.33 0.00 0.00 177.39 176.92 2oq3 h LEU 122 N -0.62 0.18 -3.80 2.23 -0.00 -0.89 -2.55 115.31 109.85 2oq3 h LEU 122 Ca 0.00 -0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.54 2oq3 h LEU 122 Cb 0.62 -0.04 -0.20 0.00 -0.00 0.00 0.00 40.66 41.04 2oq3 h LEU 122 CO 0.00 0.12 0.39 0.00 -0.00 0.00 0.00 178.44 178.96 2oq3 s GLU 124 N -3.14 0.43 0.57 0.00 2.56 -0.96 -4.99 118.70 113.17 2oq3 s GLU 124 Ca 0.55 -1.07 0.27 0.00 0.00 0.00 0.00 54.97 54.72 2oq3 s GLU 124 Cb 0.45 -1.25 1.53 0.00 2.00 0.00 0.00 34.13 36.85 2oq3 s GLU 124 CO 0.11 -1.15 2.02 1.05 -0.56 0.00 0.00 175.26 176.73 2oq3 h GLU 125 N 7.46 0.00 -0.37 4.30 4.11 -1.87 0.41 114.58 128.63 2oq3 h GLU 125 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2oq3 h GLU 125 Cb 0.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2oq3 h GLU 125 CO 0.32 0.00 0.16 0.93 0.07 0.00 0.00 179.01 180.49 2oq3 h GLU 126 N 0.00 0.54 -0.23 1.06 5.08 -1.95 -1.86 114.58 117.23 2oq3 h GLU 126 Ca 0.16 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2oq3 h GLU 126 Cb 0.80 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2oq3 h GLU 126 CO -0.00 0.51 -0.10 0.82 -1.00 0.00 0.00 179.01 179.24 2oq3 h ILE 127 N 0.45 1.30 -0.81 3.13 5.03 -1.27 -3.08 117.51 122.26 2oq3 h ILE 127 Ca 0.12 -1.16 0.10 0.00 -0.12 0.00 0.00 64.86 63.81 2oq3 h ILE 127 Cb 0.16 1.57 -0.07 0.00 -3.03 0.00 0.00 36.82 35.45 2oq3 h ILE 127 CO -0.01 0.36 0.45 -0.07 -0.68 0.00 0.00 178.15 178.19 2oq3 h LEU 128 N 0.19 0.62 -0.51 1.44 3.38 -0.83 0.13 115.31 119.73 2oq3 h LEU 128 Ca 0.05 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2oq3 h LEU 128 Cb 0.59 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2oq3 h LEU 128 CO 0.03 0.35 -0.08 -0.33 0.09 0.00 0.00 178.44 178.49 2oq3 h GLU 129 N 0.74 0.96 -0.17 1.13 5.08 -1.40 0.13 114.58 121.05 2oq3 h GLU 129 Ca 0.40 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2oq3 h GLU 129 Cb 0.39 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2oq3 h GLU 129 CO -0.26 1.02 -0.40 1.96 -1.00 0.00 0.00 179.01 180.32 2oq3 h GLN 130 N 0.83 0.39 0.18 2.33 4.20 -1.04 -0.54 115.11 121.46 2oq3 h GLN 130 Ca 0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2oq3 h GLN 130 Cb 0.64 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2oq3 h GLN 130 CO 0.04 0.73 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.78 2oq3 h LEU 131 N 0.32 -0.20 -2.55 1.46 3.38 -0.97 -2.79 115.31 113.97 2oq3 h LEU 131 Ca 0.03 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2oq3 h LEU 131 Cb 0.85 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2oq3 h LEU 131 CO 0.07 0.26 0.14 -0.07 0.09 0.00 0.00 178.44 178.93 2oq3 h LEU 132 N -0.72 0.00 -2.68 1.67 3.38 -0.41 -1.18 115.31 115.37 2oq3 h LEU 132 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oq3 h LEU 132 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2oq3 h LEU 132 CO 0.04 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2oq3 n THR 133 N -3.16 0.85 -1.68 0.22 -2.24 -0.24 -5.03 114.28 103.01 2oq3 n THR 133 Ca -0.02 -0.93 -0.44 0.00 -2.27 0.00 0.00 64.05 60.39 2oq3 n THR 133 Cb 0.21 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 n ALA 134 N 0.17 1.78 0.99 6.98 0.00 -0.45 -4.89 120.51 125.09 2oq3 n ALA 134 Ca 0.07 0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.97 2oq3 n ALA 134 Cb 0.33 -2.52 0.42 0.00 0.00 0.00 0.00 19.45 17.68 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oq3 n SER 135 N 5.35 0.27 -3.61 0.00 7.64 -1.26 -4.94 113.62 117.07 2oq3 n SER 135 Ca 0.19 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 60.06 2oq3 n SER 135 Cb 0.34 -0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2oq3 s SER 136 N -3.03 -0.28 0.43 6.43 1.04 -1.26 -5.02 113.70 112.00 2oq3 s SER 136 Ca 0.12 -0.23 0.10 0.00 0.48 0.00 0.00 55.95 56.42 2oq3 s SER 136 Cb 0.18 0.48 0.94 0.00 0.10 0.00 0.00 66.02 67.73 2oq3 s SER 136 CO 0.62 -0.84 2.05 -0.33 0.98 0.00 0.00 173.24 175.72 2oq3 h GLU 137 N 2.41 0.45 -0.95 4.02 5.08 -1.92 -1.98 114.58 121.69 2oq3 h GLU 137 Ca -0.34 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2oq3 h GLU 137 Cb 1.25 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2oq3 h GLU 137 CO 0.45 0.30 0.62 0.87 -1.00 0.00 0.00 179.01 180.25 2oq3 h LYS 138 N 0.46 1.09 -0.34 2.33 1.79 -1.96 0.31 116.57 120.25 2oq3 h LYS 138 Ca 0.16 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2oq3 h LYS 138 Cb 0.08 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 2oq3 h LYS 138 CO -0.04 0.72 -0.01 0.37 -1.08 0.00 0.00 179.45 179.42 2oq3 h GLN 139 N 1.13 0.61 0.02 3.15 4.15 -1.76 0.12 115.11 122.53 2oq3 h GLN 139 Ca 0.40 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 2oq3 h GLN 139 Cb 0.13 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2oq3 h GLN 139 CO -0.15 0.73 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.40 2oq3 h LEU 140 N 0.41 -0.03 -1.74 -2.39 3.38 -1.27 -2.20 115.31 111.47 2oq3 h LEU 140 Ca 0.10 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2oq3 h LEU 140 Cb 0.46 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2oq3 h LEU 140 CO 0.02 0.13 0.33 0.00 0.09 0.00 0.00 178.44 179.01 2oq3 h ALA 141 N 0.79 2.06 -0.38 1.53 0.00 -0.94 -1.40 119.26 120.92 2oq3 h ALA 141 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2oq3 h ALA 141 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2oq3 h ALA 141 CO 0.01 -0.16 -0.07 0.22 0.00 0.00 0.00 179.25 179.25 2oq3 h ASP 142 N 0.30 0.71 -0.36 0.00 3.58 -0.30 0.07 116.42 120.42 2oq3 h ASP 142 Ca 0.22 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.25 2oq3 h ASP 142 Cb 0.47 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2oq3 h ASP 142 CO -0.05 0.89 0.00 0.40 -2.88 0.00 0.00 179.24 177.61 2oq3 h ILE 143 N 0.51 1.23 0.14 2.25 2.04 -0.80 0.05 117.51 122.94 2oq3 h ILE 143 Ca 0.10 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2oq3 h ILE 143 Cb 0.57 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2oq3 h ILE 143 CO 0.03 0.34 -0.13 0.40 0.00 0.00 0.00 178.15 178.79 2oq3 h ILE 144 N 0.69 0.71 0.00 -0.67 1.08 -1.11 -3.12 117.51 115.10 2oq3 h ILE 144 Ca 0.14 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.56 2oq3 h ILE 144 Cb 0.42 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2oq3 h ILE 144 CO 0.02 0.00 -0.22 0.28 -0.69 0.00 0.00 178.15 177.54 2oq3 h SER 145 N -0.29 0.00 -0.20 1.72 0.02 -0.08 -1.50 113.55 113.22 2oq3 h SER 145 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2oq3 h SER 145 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2oq3 h SER 145 CO -0.03 0.22 0.16 -0.09 -1.14 0.00 0.00 176.83 175.95 2oq3 h ARG 146 N 0.00 0.00 -0.01 3.45 2.43 -0.95 -3.47 114.38 115.83 2oq3 h ARG 146 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oq3 h ARG 146 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2oq3 h ARG 146 CO 0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.90